data_nef_c15528_2jwn save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 ILE middle . . 3 A 3 ALA middle . . 4 A 4 PRO middle . false 5 A 5 CYS middle . . 6 A 6 MET middle . . 7 A 7 GLN middle . . 8 A 8 THR middle . . 9 A 9 THR middle . . 10 A 10 HIS middle . . 11 A 11 SER middle . . 12 A 12 LYS middle . . 13 A 13 MET middle . . 14 A 14 THR middle . . 15 A 15 ALA middle . . 16 A 16 GLY middle . false 17 A 17 ALA middle . . 18 A 18 TYR middle . . 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 GLY middle . false 22 A 22 PRO middle . false 23 A 23 PRO middle . false 24 A 24 GLN middle . . 25 A 25 PRO middle . false 26 A 26 LEU middle . . 27 A 27 SER middle . . 28 A 28 ALA middle . . 29 A 29 GLU middle . . 30 A 30 GLU middle . . 31 A 31 LYS middle . . 32 A 32 LYS middle . . 33 A 33 GLU middle . . 34 A 34 ILE middle . . 35 A 35 ASP middle . . 36 A 36 LYS middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 VAL middle . . 40 A 40 TYR middle . . 41 A 41 VAL middle . . 42 A 42 GLY middle . false 43 A 43 ASN middle . . 44 A 44 VAL middle . . 45 A 45 ASP middle . . 46 A 46 TYR middle . . 47 A 47 GLY middle . false 48 A 48 SER middle . . 49 A 49 THR middle . . 50 A 50 ALA middle . . 51 A 51 GLN middle . . 52 A 52 ASP middle . . 53 A 53 LEU middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 HIS middle . . 57 A 57 PHE middle . . 58 A 58 SER middle . . 59 A 59 SER middle . . 60 A 60 CYS middle . . 61 A 61 GLY middle . false 62 A 62 SER middle . . 63 A 63 ILE middle . . 64 A 64 ASN middle . . 65 A 65 ARG middle . . 66 A 66 ILE middle . . 67 A 67 THR middle . . 68 A 68 ILE middle . . 69 A 69 LEU middle . . 70 A 70 CYS middle . . 71 A 71 ASP middle . . 72 A 72 LYS middle . . 73 A 73 PHE middle . . 74 A 74 SER middle . . 75 A 75 GLY middle . false 76 A 76 HIS middle . . 77 A 77 PRO middle . false 78 A 78 LYS middle . . 79 A 79 GLY middle . false 80 A 80 TYR middle . . 81 A 81 ALA middle . . 82 A 82 TYR middle . . 83 A 83 ILE middle . . 84 A 84 GLU middle . . 85 A 85 PHE middle . . 86 A 86 ALA middle . . 87 A 87 GLU middle . . 88 A 88 ARG middle . . 89 A 89 ASN middle . . 90 A 90 SER middle . . 91 A 91 VAL middle . . 92 A 92 ASP middle . . 93 A 93 ALA middle . . 94 A 94 ALA middle . . 95 A 95 VAL middle . . 96 A 96 ALA middle . . 97 A 97 MET middle . . 98 A 98 ASP middle . . 99 A 99 GLU middle . . 100 A 100 THR middle . . 101 A 101 VAL middle . . 102 A 102 PHE middle . . 103 A 103 ARG middle . . 104 A 104 GLY middle . false 105 A 105 ARG middle . . 106 A 106 THR middle . . 107 A 107 ILE middle . . 108 A 108 LYS middle . . 109 A 109 VAL middle . . 110 A 110 LEU middle . . 111 A 111 PRO middle . false 112 A 112 LYS middle . . 113 A 113 ARG middle . . 114 A 114 THR middle . . 115 A 115 ASN middle . . 116 A 116 MET middle . . 117 A 117 PRO middle . false 118 A 118 GLY middle . false 119 A 119 ILE middle . . 120 A 120 SER middle . . 121 A 121 SER middle . . 122 A 122 THR middle . . 123 A 123 ASP middle . . 124 A 124 ARG end . . 125 B 1 ALA start . . 126 B 2 ILE middle . . 127 B 3 ALA middle . . 128 B 4 PRO middle . false 129 B 5 CYS middle . . 130 B 6 MET middle . . 131 B 7 GLN middle . . 132 B 8 THR middle . . 133 B 9 THR middle . . 134 B 10 HIS middle . . 135 B 11 SER middle . . 136 B 12 LYS middle . . 137 B 13 MET middle . . 138 B 14 THR middle . . 139 B 15 ALA middle . . 140 B 16 GLY middle . false 141 B 17 ALA middle . . 142 B 18 TYR middle . . 143 B 19 THR middle . . 144 B 20 GLU middle . . 145 B 21 GLY middle . false 146 B 22 PRO middle . false 147 B 23 PRO middle . false 148 B 24 GLN middle . . 149 B 25 PRO middle . false 150 B 26 LEU middle . . 151 B 27 SER middle . . 152 B 28 ALA middle . . 153 B 29 GLU middle . . 154 B 30 GLU middle . . 155 B 31 LYS middle . . 156 B 32 LYS middle . . 157 B 33 GLU middle . . 158 B 34 ILE middle . . 159 B 35 ASP middle . . 160 B 36 LYS middle . . 161 B 37 ARG middle . . 162 B 38 SER middle . . 163 B 39 VAL middle . . 164 B 40 TYR middle . . 165 B 41 VAL middle . . 166 B 42 GLY middle . false 167 B 43 ASN middle . . 168 B 44 VAL middle . . 169 B 45 ASP middle . . 170 B 46 TYR middle . . 171 B 47 GLY middle . false 172 B 48 SER middle . . 173 B 49 THR middle . . 174 B 50 ALA middle . . 175 B 51 GLN middle . . 176 B 52 ASP middle . . 177 B 53 LEU middle . . 178 B 54 GLU middle . . 179 B 55 ALA middle . . 180 B 56 HIS middle . . 181 B 57 PHE middle . . 182 B 58 SER middle . . 183 B 59 SER middle . . 184 B 60 CYS middle . . 185 B 61 GLY middle . false 186 B 62 SER middle . . 187 B 63 ILE middle . . 188 B 64 ASN middle . . 189 B 65 ARG middle . . 190 B 66 ILE middle . . 191 B 67 THR middle . . 192 B 68 ILE middle . . 193 B 69 LEU middle . . 194 B 70 CYS middle . . 195 B 71 ASP middle . . 196 B 72 LYS middle . . 197 B 73 PHE middle . . 198 B 74 SER middle . . 199 B 75 GLY middle . false 200 B 76 HIS middle . . 201 B 77 PRO middle . false 202 B 78 LYS middle . . 203 B 79 GLY middle . false 204 B 80 TYR middle . . 205 B 81 ALA middle . . 206 B 82 TYR middle . . 207 B 83 ILE middle . . 208 B 84 GLU middle . . 209 B 85 PHE middle . . 210 B 86 ALA middle . . 211 B 87 GLU middle . . 212 B 88 ARG middle . . 213 B 89 ASN middle . . 214 B 90 SER middle . . 215 B 91 VAL middle . . 216 B 92 ASP middle . . 217 B 93 ALA middle . . 218 B 94 ALA middle . . 219 B 95 VAL middle . . 220 B 96 ALA middle . . 221 B 97 MET middle . . 222 B 98 ASP middle . . 223 B 99 GLU middle . . 224 B 100 THR middle . . 225 B 101 VAL middle . . 226 B 102 PHE middle . . 227 B 103 ARG middle . . 228 B 104 GLY middle . false 229 B 105 ARG middle . . 230 B 106 THR middle . . 231 B 107 ILE middle . . 232 B 108 LYS middle . . 233 B 109 VAL middle . . 234 B 110 LEU middle . . 235 B 111 PRO middle . false 236 B 112 LYS middle . . 237 B 113 ARG middle . . 238 B 114 THR middle . . 239 B 115 ASN middle . . 240 B 116 MET middle . . 241 B 117 PRO middle . false 242 B 118 GLY middle . false 243 B 119 ILE middle . . 244 B 120 SER middle . . 245 B 121 SER middle . . 246 B 122 THR middle . . 247 B 123 ASP middle . . 248 B 124 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.178 0.05 A 1 ALA HB% H 1 1.557 0.05 A 1 ALA C C 13 173.675 0.15 A 1 ALA CA C 13 51.784 0.15 A 1 ALA CB C 13 19.590 0.15 A 2 ILE H H 1 8.420 0.05 A 2 ILE HA H 1 4.219 0.05 A 2 ILE HB H 1 1.870 0.05 A 2 ILE C C 13 175.424 0.15 A 2 ILE CA C 13 61.022 0.15 A 2 ILE CB C 13 38.918 0.15 A 2 ILE N N 15 120.314 0.15 A 3 ALA H H 1 8.374 0.05 A 3 ALA CA C 13 50.509 0.15 A 3 ALA CB C 13 18.608 0.15 A 3 ALA N N 15 129.874 0.15 A 4 PRO HA H 1 4.446 0.05 A 4 PRO HBx H 1 1.929 0.05 A 4 PRO HBy H 1 2.349 0.05 A 4 PRO C C 13 176.949 0.15 A 4 PRO CA C 13 63.456 0.15 A 4 PRO CB C 13 32.203 0.15 A 5 CYS H H 1 8.347 0.05 A 5 CYS HA H 1 4.492 0.05 A 5 CYS HB2 H 1 3.000 0.05 A 5 CYS C C 13 174.805 0.15 A 5 CYS CA C 13 58.495 0.15 A 5 CYS CB C 13 27.957 0.15 A 5 CYS N N 15 118.477 0.15 A 6 MET H H 1 8.421 0.05 A 6 MET HA H 1 4.534 0.05 A 6 MET HB2 H 1 2.101 0.05 A 6 MET C C 13 176.132 0.15 A 6 MET CA C 13 55.629 0.15 A 6 MET CB C 13 33.048 0.15 A 6 MET N N 15 122.952 0.15 A 7 GLN H H 1 8.313 0.05 A 7 GLN HA H 1 4.435 0.05 A 7 GLN HB2 H 1 2.129 0.05 A 7 GLN C C 13 176.128 0.15 A 7 GLN CA C 13 56.109 0.15 A 7 GLN CB C 13 29.591 0.15 A 7 GLN N N 15 121.379 0.15 A 8 THR H H 1 8.195 0.05 A 8 THR HA H 1 4.406 0.05 A 8 THR HB H 1 4.264 0.05 A 8 THR C C 13 174.739 0.15 A 8 THR CA C 13 61.856 0.15 A 8 THR CB C 13 69.854 0.15 A 8 THR N N 15 115.096 0.15 A 9 THR H H 1 8.081 0.05 A 9 THR HA H 1 4.335 0.05 A 9 THR HB H 1 4.232 0.05 A 9 THR C C 13 174.407 0.15 A 9 THR CA C 13 61.896 0.15 A 9 THR CB C 13 69.811 0.15 A 9 THR N N 15 115.837 0.15 A 10 HIS H H 1 8.477 0.05 A 10 HIS HA H 1 4.788 0.05 A 10 HIS HBy H 1 3.326 0.05 A 10 HIS HBx H 1 3.203 0.05 A 10 HIS C C 13 174.571 0.15 A 10 HIS CA C 13 55.477 0.15 A 10 HIS CB C 13 29.291 0.15 A 10 HIS N N 15 120.606 0.15 A 11 SER H H 1 8.306 0.05 A 11 SER HA H 1 4.448 0.05 A 11 SER HB2 H 1 3.902 0.05 A 11 SER C C 13 174.512 0.15 A 11 SER CA C 13 58.557 0.15 A 11 SER CB C 13 63.943 0.15 A 11 SER N N 15 117.043 0.15 A 12 LYS H H 1 8.402 0.05 A 12 LYS HA H 1 4.359 0.05 A 12 LYS HB2 H 1 1.847 0.05 A 12 LYS HG2 H 1 1.450 0.05 A 12 LYS C C 13 176.592 0.15 A 12 LYS CA C 13 56.634 0.15 A 12 LYS CB C 13 33.127 0.15 A 12 LYS N N 15 123.023 0.15 A 13 MET H H 1 8.343 0.05 A 13 MET HA H 1 4.530 0.05 A 13 MET HB2 H 1 2.062 0.05 A 13 MET HGx H 1 2.601 0.05 A 13 MET HGy H 1 2.601 0.05 A 13 MET C C 13 176.373 0.15 A 13 MET CA C 13 55.680 0.15 A 13 MET CB C 13 32.925 0.15 A 13 MET N N 15 121.294 0.15 A 14 THR H H 1 8.068 0.05 A 14 THR HA H 1 4.333 0.05 A 14 THR HG2% H 1 1.221 0.05 A 14 THR C C 13 174.246 0.15 A 14 THR CA C 13 61.770 0.15 A 14 THR CB C 13 69.894 0.15 A 14 THR N N 15 115.254 0.15 A 15 ALA H H 1 8.289 0.05 A 15 ALA HA H 1 4.344 0.05 A 15 ALA HB% H 1 1.450 0.05 A 15 ALA C C 13 178.080 0.15 A 15 ALA CA C 13 52.779 0.15 A 15 ALA CB C 13 19.286 0.15 A 15 ALA N N 15 126.372 0.15 A 16 GLY H H 1 8.291 0.05 A 16 GLY HA2 H 1 3.913 0.05 A 16 GLY C C 13 173.788 0.15 A 16 GLY CA C 13 45.298 0.15 A 16 GLY N N 15 108.095 0.15 A 17 ALA H H 1 8.000 0.05 A 17 ALA HA H 1 4.292 0.05 A 17 ALA HB% H 1 1.293 0.05 A 17 ALA C C 13 177.366 0.15 A 17 ALA CA C 13 52.518 0.15 A 17 ALA CB C 13 19.577 0.15 A 17 ALA N N 15 123.370 0.15 A 18 TYR H H 1 8.135 0.05 A 18 TYR HA H 1 4.640 0.05 A 18 TYR HBy H 1 3.059 0.05 A 18 TYR HBx H 1 2.968 0.05 A 18 TYR HD2 H 1 7.097 0.05 A 18 TYR C C 13 176.031 0.15 A 18 TYR CA C 13 57.973 0.15 A 18 TYR CB C 13 38.661 0.15 A 18 TYR N N 15 119.212 0.15 A 19 THR H H 1 7.912 0.05 A 19 THR HA H 1 4.267 0.05 A 19 THR HB H 1 4.037 0.05 A 19 THR HG2% H 1 1.135 0.05 A 19 THR C C 13 173.995 0.15 A 19 THR CA C 13 61.848 0.15 A 19 THR CB C 13 69.756 0.15 A 19 THR N N 15 115.764 0.15 A 20 GLU H H 1 8.077 0.05 A 20 GLU HA H 1 4.301 0.05 A 20 GLU HBy H 1 2.071 0.05 A 20 GLU HBx H 1 1.903 0.05 A 20 GLU HG2 H 1 2.259 0.05 A 20 GLU C C 13 176.128 0.15 A 20 GLU CA C 13 56.312 0.15 A 20 GLU CB C 13 30.423 0.15 A 20 GLU CG C 13 36.037 0.15 A 20 GLU N N 15 122.553 0.15 A 21 GLY H H 1 7.966 0.05 A 21 GLY HA2 H 1 3.903 0.05 A 21 GLY CA C 13 44.257 0.15 A 21 GLY N N 15 109.544 0.15 A 22 PRO HA H 1 4.232 0.05 A 22 PRO HBy H 1 1.938 0.05 A 22 PRO HBx H 1 1.750 0.05 A 22 PRO HDx H 1 3.084 0.05 A 22 PRO HDy H 1 3.400 0.05 A 22 PRO HGx H 1 1.663 0.05 A 22 PRO HGy H 1 1.878 0.05 A 22 PRO CA C 13 61.109 0.15 A 22 PRO CB C 13 30.711 0.15 A 22 PRO CD C 13 49.305 0.15 A 22 PRO CG C 13 27.118 0.15 A 23 PRO HA H 1 4.363 0.05 A 23 PRO HBx H 1 1.842 0.05 A 23 PRO HBy H 1 2.193 0.05 A 23 PRO HDx H 1 3.407 0.05 A 23 PRO HDy H 1 3.419 0.05 A 23 PRO HG2 H 1 1.879 0.05 A 23 PRO C C 13 176.567 0.15 A 23 PRO CA C 13 62.733 0.15 A 23 PRO CB C 13 32.048 0.15 A 23 PRO CD C 13 50.256 0.15 A 23 PRO CG C 13 27.293 0.15 A 24 GLN H H 1 8.286 0.05 A 24 GLN HA H 1 4.479 0.05 A 24 GLN HBy H 1 2.053 0.05 A 24 GLN HBx H 1 1.873 0.05 A 24 GLN HE2y H 1 7.485 0.05 A 24 GLN HE2x H 1 6.787 0.05 A 24 GLN HG2 H 1 2.388 0.05 A 24 GLN CA C 13 53.763 0.15 A 24 GLN CB C 13 28.800 0.15 A 24 GLN CG C 13 33.561 0.15 A 24 GLN N N 15 121.215 0.15 A 24 GLN NE2 N 15 112.460 0.15 A 25 PRO HA H 1 4.389 0.05 A 25 PRO HBx H 1 1.831 0.05 A 25 PRO HBy H 1 2.244 0.05 A 25 PRO HDx H 1 3.602 0.05 A 25 PRO HDy H 1 3.733 0.05 A 25 PRO HGx H 1 1.937 0.05 A 25 PRO HGy H 1 1.992 0.05 A 25 PRO C C 13 176.707 0.15 A 25 PRO CA C 13 62.867 0.15 A 25 PRO CB C 13 32.174 0.15 A 25 PRO CD C 13 50.542 0.15 A 25 PRO CG C 13 27.564 0.15 A 26 LEU H H 1 8.244 0.05 A 26 LEU HA H 1 4.405 0.05 A 26 LEU HBx H 1 1.465 0.05 A 26 LEU HBy H 1 1.577 0.05 A 26 LEU HDx% H 1 0.820 0.05 A 26 LEU HDy% H 1 0.794 0.05 A 26 LEU HG H 1 1.704 0.05 A 26 LEU C C 13 177.517 0.15 A 26 LEU CA C 13 54.643 0.15 A 26 LEU CB C 13 43.618 0.15 A 26 LEU CDy C 13 25.866 0.15 A 26 LEU CDx C 13 23.511 0.15 A 26 LEU CG C 13 27.066 0.15 A 26 LEU N N 15 122.745 0.15 A 27 SER H H 1 8.758 0.05 A 27 SER HA H 1 4.474 0.05 A 27 SER HBx H 1 4.033 0.05 A 27 SER HBy H 1 4.340 0.05 A 27 SER C C 13 174.789 0.15 A 27 SER CA C 13 57.461 0.15 A 27 SER CB C 13 65.280 0.15 A 27 SER N N 15 117.967 0.15 A 28 ALA H H 1 8.841 0.05 A 28 ALA HA H 1 4.037 0.05 A 28 ALA HB% H 1 1.471 0.05 A 28 ALA CA C 13 55.346 0.15 A 28 ALA CB C 13 18.347 0.15 A 28 ALA N N 15 124.144 0.15 A 29 GLU H H 1 8.565 0.05 A 29 GLU HA H 1 4.026 0.05 A 29 GLU HB2 H 1 2.023 0.05 A 29 GLU HGx H 1 2.321 0.05 A 29 GLU HGy H 1 2.409 0.05 A 29 GLU C C 13 178.877 0.15 A 29 GLU CA C 13 59.430 0.15 A 29 GLU CB C 13 29.244 0.15 A 29 GLU CG C 13 36.375 0.15 A 29 GLU N N 15 117.527 0.15 A 30 GLU H H 1 7.823 0.05 A 30 GLU HA H 1 4.054 0.05 A 30 GLU HBx H 1 1.967 0.05 A 30 GLU HBy H 1 2.202 0.05 A 30 GLU HGy H 1 2.319 0.05 A 30 GLU HGx H 1 2.281 0.05 A 30 GLU C C 13 179.191 0.15 A 30 GLU CA C 13 59.037 0.15 A 30 GLU CB C 13 30.102 0.15 A 30 GLU CG C 13 36.798 0.15 A 30 GLU N N 15 120.773 0.15 A 31 LYS H H 1 8.246 0.05 A 31 LYS HA H 1 3.844 0.05 A 31 LYS HBx H 1 1.780 0.05 A 31 LYS HBy H 1 1.863 0.05 A 31 LYS HD3 H 1 1.601 0.05 A 31 LYS HE2 H 1 2.892 0.05 A 31 LYS HGx H 1 1.326 0.05 A 31 LYS HGy H 1 1.512 0.05 A 31 LYS C C 13 177.968 0.15 A 31 LYS CA C 13 59.889 0.15 A 31 LYS CB C 13 32.350 0.15 A 31 LYS CD C 13 29.379 0.15 A 31 LYS CE C 13 42.083 0.15 A 31 LYS CG C 13 25.954 0.15 A 31 LYS N N 15 119.315 0.15 A 32 LYS H H 1 7.698 0.05 A 32 LYS HA H 1 4.043 0.05 A 32 LYS HB3 H 1 1.929 0.05 A 32 LYS HDy H 1 1.727 0.05 A 32 LYS HDx H 1 1.600 0.05 A 32 LYS HEy H 1 2.969 0.05 A 32 LYS HEx H 1 2.920 0.05 A 32 LYS HGy H 1 1.610 0.05 A 32 LYS HGx H 1 1.434 0.05 A 32 LYS C C 13 178.848 0.15 A 32 LYS CA C 13 59.479 0.15 A 32 LYS CB C 13 32.459 0.15 A 32 LYS CD C 13 29.597 0.15 A 32 LYS CE C 13 42.085 0.15 A 32 LYS CG C 13 25.292 0.15 A 32 LYS N N 15 118.195 0.15 A 33 GLU H H 1 7.512 0.05 A 33 GLU HA H 1 4.031 0.05 A 33 GLU HBx H 1 2.116 0.05 A 33 GLU HBy H 1 2.196 0.05 A 33 GLU HGy H 1 2.415 0.05 A 33 GLU HGx H 1 2.349 0.05 A 33 GLU C C 13 178.989 0.15 A 33 GLU CA C 13 59.157 0.15 A 33 GLU CB C 13 29.220 0.15 A 33 GLU CG C 13 35.981 0.15 A 33 GLU N N 15 118.459 0.15 A 34 ILE H H 1 7.912 0.05 A 34 ILE HA H 1 3.503 0.05 A 34 ILE HB H 1 1.796 0.05 A 34 ILE HD1% H 1 0.764 0.05 A 34 ILE HG12 H 1 1.009 0.05 A 34 ILE HG13 H 1 1.653 0.05 A 34 ILE HG2% H 1 0.741 0.05 A 34 ILE C C 13 180.639 0.15 A 34 ILE CA C 13 65.305 0.15 A 34 ILE CB C 13 38.540 0.15 A 34 ILE CD1 C 13 14.856 0.15 A 34 ILE CG1 C 13 29.648 0.15 A 34 ILE CG2 C 13 17.571 0.15 A 34 ILE N N 15 120.176 0.15 A 35 ASP H H 1 8.457 0.05 A 35 ASP HA H 1 4.145 0.05 A 35 ASP HBy H 1 2.804 0.05 A 35 ASP HBx H 1 2.428 0.05 A 35 ASP C C 13 178.790 0.15 A 35 ASP CA C 13 58.322 0.15 A 35 ASP CB C 13 39.538 0.15 A 35 ASP N N 15 123.589 0.15 A 36 LYS H H 1 7.573 0.05 A 36 LYS HA H 1 4.187 0.05 A 36 LYS HBy H 1 2.012 0.05 A 36 LYS HBx H 1 1.939 0.05 A 36 LYS HD2 H 1 1.733 0.05 A 36 LYS HE2 H 1 2.947 0.05 A 36 LYS HGy H 1 1.741 0.05 A 36 LYS HGx H 1 1.553 0.05 A 36 LYS C C 13 176.400 0.15 A 36 LYS CA C 13 58.656 0.15 A 36 LYS CB C 13 32.991 0.15 A 36 LYS CD C 13 29.670 0.15 A 36 LYS CE C 13 42.069 0.15 A 36 LYS CG C 13 25.877 0.15 A 36 LYS N N 15 117.506 0.15 A 37 ARG H H 1 7.397 0.05 A 37 ARG HA H 1 4.658 0.05 A 37 ARG HBy H 1 2.270 0.05 A 37 ARG HBx H 1 1.903 0.05 A 37 ARG HD2 H 1 3.172 0.05 A 37 ARG HG2 H 1 1.351 0.05 A 37 ARG HH11 H 1 6.616 0.05 A 37 ARG C C 13 174.361 0.15 A 37 ARG CA C 13 55.793 0.15 A 37 ARG CB C 13 31.260 0.15 A 37 ARG CD C 13 43.770 0.15 A 37 ARG CG C 13 29.473 0.15 A 37 ARG N N 15 115.182 0.15 A 38 SER H H 1 7.416 0.05 A 38 SER HA H 1 6.346 0.05 A 38 SER HBx H 1 3.577 0.05 A 38 SER HBy H 1 3.836 0.05 A 38 SER C C 13 173.807 0.15 A 38 SER CA C 13 57.574 0.15 A 38 SER CB C 13 67.003 0.15 A 38 SER N N 15 112.872 0.15 A 39 VAL H H 1 8.812 0.05 A 39 VAL HA H 1 5.117 0.05 A 39 VAL HB H 1 2.284 0.05 A 39 VAL HGx% H 1 0.994 0.05 A 39 VAL HGy% H 1 0.644 0.05 A 39 VAL C C 13 174.519 0.15 A 39 VAL CA C 13 59.085 0.15 A 39 VAL CB C 13 34.476 0.15 A 39 VAL CGy C 13 24.145 0.15 A 39 VAL CGx C 13 18.799 0.15 A 39 VAL N N 15 111.961 0.15 A 40 TYR H H 1 9.366 0.05 A 40 TYR HA H 1 5.108 0.05 A 40 TYR HBx H 1 2.761 0.05 A 40 TYR HBy H 1 3.047 0.05 A 40 TYR HD1 H 1 6.870 0.05 A 40 TYR HD2 H 1 6.870 0.05 A 40 TYR HE1 H 1 6.401 0.05 A 40 TYR HE2 H 1 6.401 0.05 A 40 TYR C C 13 172.976 0.15 A 40 TYR CA C 13 56.633 0.15 A 40 TYR CB C 13 41.058 0.15 A 40 TYR CD2 C 13 133.308 0.15 A 40 TYR CE2 C 13 117.769 0.15 A 40 TYR N N 15 123.743 0.15 A 41 VAL H H 1 8.734 0.05 A 41 VAL HA H 1 4.876 0.05 A 41 VAL HB H 1 1.636 0.05 A 41 VAL HGx% H 1 0.767 0.05 A 41 VAL HGy% H 1 0.520 0.05 A 41 VAL C C 13 174.651 0.15 A 41 VAL CA C 13 59.798 0.15 A 41 VAL CB C 13 33.329 0.15 A 41 VAL CGy C 13 22.463 0.15 A 41 VAL CGx C 13 21.266 0.15 A 41 VAL N N 15 127.436 0.15 A 42 GLY H H 1 9.669 0.05 A 42 GLY HAx H 1 3.612 0.05 A 42 GLY HAy H 1 4.392 0.05 A 42 GLY C C 13 173.639 0.15 A 42 GLY CA C 13 44.169 0.15 A 42 GLY N N 15 113.263 0.15 A 43 ASN H H 1 8.412 0.05 A 43 ASN HA H 1 4.510 0.05 A 43 ASN HBy H 1 3.779 0.05 A 43 ASN HBx H 1 2.650 0.05 A 43 ASN HD2y H 1 7.964 0.05 A 43 ASN HD2x H 1 6.941 0.05 A 43 ASN C C 13 174.364 0.15 A 43 ASN CA C 13 53.557 0.15 A 43 ASN CB C 13 37.283 0.15 A 43 ASN N N 15 115.451 0.15 A 43 ASN ND2 N 15 111.465 0.15 A 44 VAL H H 1 7.083 0.05 A 44 VAL HA H 1 3.975 0.05 A 44 VAL HB H 1 1.658 0.05 A 44 VAL HGx% H 1 0.622 0.05 A 44 VAL HGy% H 1 0.846 0.05 A 44 VAL C C 13 175.885 0.15 A 44 VAL CA C 13 61.614 0.15 A 44 VAL CB C 13 32.914 0.15 A 44 VAL CGy C 13 21.851 0.15 A 44 VAL CGx C 13 21.649 0.15 A 44 VAL N N 15 115.399 0.15 A 45 ASP H H 1 8.305 0.05 A 45 ASP HA H 1 4.467 0.05 A 45 ASP HBy H 1 2.860 0.05 A 45 ASP HBx H 1 2.394 0.05 A 45 ASP C C 13 177.205 0.15 A 45 ASP CA C 13 54.613 0.15 A 45 ASP CB C 13 43.657 0.15 A 45 ASP N N 15 124.440 0.15 A 46 TYR H H 1 8.715 0.05 A 46 TYR HA H 1 4.483 0.05 A 46 TYR HBy H 1 3.154 0.05 A 46 TYR HBx H 1 2.955 0.05 A 46 TYR HD1 H 1 7.030 0.05 A 46 TYR HD2 H 1 7.030 0.05 A 46 TYR HE1 H 1 6.677 0.05 A 46 TYR HE2 H 1 6.677 0.05 A 46 TYR C C 13 175.453 0.15 A 46 TYR CA C 13 59.464 0.15 A 46 TYR CB C 13 38.753 0.15 A 46 TYR CD2 C 13 132.946 0.15 A 46 TYR N N 15 125.588 0.15 A 47 GLY H H 1 8.387 0.05 A 47 GLY HAx H 1 3.561 0.05 A 47 GLY HAy H 1 4.348 0.05 A 47 GLY C C 13 173.578 0.15 A 47 GLY CA C 13 44.965 0.15 A 47 GLY N N 15 106.974 0.15 A 48 SER H H 1 7.417 0.05 A 48 SER HA H 1 4.428 0.05 A 48 SER HB2 H 1 3.752 0.05 A 48 SER C C 13 173.220 0.15 A 48 SER CA C 13 59.892 0.15 A 48 SER CB C 13 64.519 0.15 A 48 SER N N 15 115.423 0.15 A 49 THR H H 1 8.474 0.05 A 49 THR HA H 1 4.660 0.05 A 49 THR HB H 1 4.305 0.05 A 49 THR HG2% H 1 1.079 0.05 A 49 THR C C 13 175.940 0.15 A 49 THR CA C 13 58.831 0.15 A 49 THR CB C 13 72.585 0.15 A 49 THR CG2 C 13 22.904 0.15 A 49 THR N N 15 112.103 0.15 A 50 ALA H H 1 9.723 0.05 A 50 ALA HA H 1 3.923 0.05 A 50 ALA HB% H 1 1.292 0.05 A 50 ALA C C 13 179.045 0.15 A 50 ALA CA C 13 55.643 0.15 A 50 ALA CB C 13 18.259 0.15 A 50 ALA N N 15 123.988 0.15 A 51 GLN H H 1 7.730 0.05 A 51 GLN HA H 1 3.940 0.05 A 51 GLN HBy H 1 1.883 0.05 A 51 GLN HBx H 1 1.554 0.05 A 51 GLN HE2x H 1 6.710 0.05 A 51 GLN HE2y H 1 7.395 0.05 A 51 GLN HGy H 1 2.344 0.05 A 51 GLN HGx H 1 2.280 0.05 A 51 GLN C C 13 178.215 0.15 A 51 GLN CA C 13 59.096 0.15 A 51 GLN CB C 13 28.508 0.15 A 51 GLN CG C 13 33.610 0.15 A 51 GLN N N 15 116.375 0.15 A 52 ASP H H 1 8.273 0.05 A 52 ASP HA H 1 4.587 0.05 A 52 ASP C C 13 179.837 0.15 A 52 ASP CA C 13 57.556 0.15 A 52 ASP CB C 13 41.057 0.15 A 52 ASP N N 15 120.755 0.15 A 53 LEU H H 1 7.855 0.05 A 53 LEU HA H 1 3.933 0.05 A 53 LEU HBx H 1 1.302 0.05 A 53 LEU HBy H 1 1.884 0.05 A 53 LEU HDx% H 1 0.592 0.05 A 53 LEU HDy% H 1 0.455 0.05 A 53 LEU HG H 1 1.646 0.05 A 53 LEU C C 13 178.463 0.15 A 53 LEU CA C 13 58.367 0.15 A 53 LEU CB C 13 42.646 0.15 A 53 LEU CDy C 13 25.897 0.15 A 53 LEU CDx C 13 24.231 0.15 A 53 LEU CG C 13 27.665 0.15 A 53 LEU N N 15 122.035 0.15 A 54 GLU H H 1 8.804 0.05 A 54 GLU HA H 1 3.745 0.05 A 54 GLU HBy H 1 2.228 0.05 A 54 GLU HBx H 1 2.084 0.05 A 54 GLU HG2 H 1 2.216 0.05 A 54 GLU C C 13 178.467 0.15 A 54 GLU CA C 13 59.833 0.15 A 54 GLU CB C 13 29.238 0.15 A 54 GLU CG C 13 36.291 0.15 A 54 GLU N N 15 120.472 0.15 A 55 ALA H H 1 8.098 0.05 A 55 ALA HA H 1 4.249 0.05 A 55 ALA HB% H 1 1.655 0.05 A 55 ALA C C 13 180.711 0.15 A 55 ALA CA C 13 55.077 0.15 A 55 ALA CB C 13 18.164 0.15 A 55 ALA N N 15 119.302 0.15 A 56 HIS H H 1 7.927 0.05 A 56 HIS HA H 1 4.281 0.05 A 56 HIS HBx H 1 2.875 0.05 A 56 HIS HBy H 1 3.136 0.05 A 56 HIS HD2 H 1 5.328 0.05 A 56 HIS C C 13 176.342 0.15 A 56 HIS CA C 13 59.362 0.15 A 56 HIS CB C 13 31.200 0.15 A 56 HIS N N 15 117.016 0.15 A 57 PHE H H 1 7.811 0.05 A 57 PHE HA H 1 4.554 0.05 A 57 PHE HBx H 1 2.761 0.05 A 57 PHE HBy H 1 3.653 0.05 A 57 PHE HD1 H 1 7.674 0.05 A 57 PHE HD2 H 1 7.677 0.05 A 57 PHE HE1 H 1 7.066 0.05 A 57 PHE HZ H 1 6.936 0.05 A 57 PHE C C 13 177.301 0.15 A 57 PHE CA C 13 59.480 0.15 A 57 PHE CB C 13 40.432 0.15 A 57 PHE CD1 C 13 132.606 0.15 A 57 PHE CE1 C 13 130.450 0.15 A 57 PHE CZ C 13 128.535 0.15 A 57 PHE N N 15 111.423 0.15 A 58 SER H H 1 8.126 0.05 A 58 SER HA H 1 4.468 0.05 A 58 SER HB2 H 1 4.180 0.05 A 58 SER C C 13 176.676 0.15 A 58 SER CA C 13 62.159 0.15 A 58 SER N N 15 118.439 0.15 A 59 SER H H 1 8.422 0.05 A 59 SER HA H 1 4.291 0.05 A 59 SER HB2 H 1 3.941 0.05 A 59 SER C C 13 175.955 0.15 A 59 SER CA C 13 60.277 0.15 A 59 SER CB C 13 62.444 0.15 A 59 SER N N 15 116.618 0.15 A 60 CYS H H 1 8.226 0.05 A 60 CYS HA H 1 4.067 0.05 A 60 CYS HBx H 1 2.734 0.05 A 60 CYS HBy H 1 3.322 0.05 A 60 CYS C C 13 174.682 0.15 A 60 CYS CA C 13 60.683 0.15 A 60 CYS CB C 13 28.894 0.15 A 60 CYS N N 15 118.900 0.15 A 61 GLY H H 1 7.414 0.05 A 61 GLY HAx H 1 3.887 0.05 A 61 GLY HAy H 1 4.489 0.05 A 61 GLY C C 13 171.619 0.15 A 61 GLY CA C 13 44.000 0.15 A 61 GLY N N 15 106.320 0.15 A 62 SER H H 1 8.182 0.05 A 62 SER HA H 1 4.420 0.05 A 62 SER HBy H 1 3.912 0.05 A 62 SER HBx H 1 3.826 0.05 A 62 SER C C 13 175.295 0.15 A 62 SER CA C 13 59.839 0.15 A 62 SER CB C 13 63.617 0.15 A 62 SER N N 15 112.485 0.15 A 63 ILE H H 1 8.857 0.05 A 63 ILE HA H 1 4.007 0.05 A 63 ILE HB H 1 1.569 0.05 A 63 ILE HD1% H 1 0.816 0.05 A 63 ILE HG12 H 1 1.973 0.05 A 63 ILE HG13 H 1 0.316 0.05 A 63 ILE HG2% H 1 0.529 0.05 A 63 ILE C C 13 175.045 0.15 A 63 ILE CA C 13 61.979 0.15 A 63 ILE CB C 13 41.048 0.15 A 63 ILE CD1 C 13 14.912 0.15 A 63 ILE CG1 C 13 29.470 0.15 A 63 ILE CG2 C 13 18.135 0.15 A 63 ILE N N 15 127.966 0.15 A 64 ASN H H 1 8.897 0.05 A 64 ASN HA H 1 4.667 0.05 A 64 ASN HBx H 1 2.247 0.05 A 64 ASN HBy H 1 2.450 0.05 A 64 ASN HD2y H 1 7.440 0.05 A 64 ASN HD2x H 1 7.153 0.05 A 64 ASN C C 13 174.686 0.15 A 64 ASN CA C 13 53.627 0.15 A 64 ASN CB C 13 40.062 0.15 A 64 ASN N N 15 124.997 0.15 A 64 ASN ND2 N 15 109.159 0.15 A 65 ARG H H 1 7.419 0.05 A 65 ARG HA H 1 5.155 0.05 A 65 ARG HBx H 1 1.809 0.05 A 65 ARG HBy H 1 1.845 0.05 A 65 ARG HDy H 1 3.250 0.05 A 65 ARG HDx H 1 3.157 0.05 A 65 ARG HE H 1 7.686 0.05 A 65 ARG HGx H 1 1.605 0.05 A 65 ARG HGy H 1 1.750 0.05 A 65 ARG C C 13 173.788 0.15 A 65 ARG CA C 13 55.703 0.15 A 65 ARG CB C 13 35.408 0.15 A 65 ARG CD C 13 43.909 0.15 A 65 ARG CG C 13 28.510 0.15 A 65 ARG N N 15 116.737 0.15 A 65 ARG NE N 15 85.344 0.15 A 66 ILE H H 1 8.681 0.05 A 66 ILE HA H 1 4.574 0.05 A 66 ILE HB H 1 1.442 0.05 A 66 ILE HD1% H 1 0.844 0.05 A 66 ILE HG12 H 1 0.848 0.05 A 66 ILE HG13 H 1 1.547 0.05 A 66 ILE HG2% H 1 0.782 0.05 A 66 ILE C C 13 173.717 0.15 A 66 ILE CA C 13 61.049 0.15 A 66 ILE CB C 13 42.988 0.15 A 66 ILE CD1 C 13 14.849 0.15 A 66 ILE CG1 C 13 29.035 0.15 A 66 ILE CG2 C 13 17.785 0.15 A 66 ILE N N 15 123.359 0.15 A 67 THR H H 1 8.861 0.05 A 67 THR HA H 1 5.378 0.05 A 67 THR HB H 1 4.087 0.05 A 67 THR HG2% H 1 1.157 0.05 A 67 THR C C 13 173.526 0.15 A 67 THR CA C 13 61.112 0.15 A 67 THR CB C 13 70.857 0.15 A 67 THR CG2 C 13 21.315 0.15 A 67 THR N N 15 124.375 0.15 A 68 ILE H H 1 9.768 0.05 A 68 ILE HA H 1 4.333 0.05 A 68 ILE HB H 1 1.600 0.05 A 68 ILE HD1% H 1 0.588 0.05 A 68 ILE HG12 H 1 1.432 0.05 A 68 ILE HG13 H 1 0.542 0.05 A 68 ILE HG2% H 1 0.780 0.05 A 68 ILE C C 13 173.743 0.15 A 68 ILE CA C 13 61.237 0.15 A 68 ILE CB C 13 40.908 0.15 A 68 ILE CD1 C 13 13.413 0.15 A 68 ILE CG1 C 13 28.423 0.15 A 68 ILE CG2 C 13 17.597 0.15 A 68 ILE N N 15 127.340 0.15 A 69 LEU H H 1 9.045 0.05 A 69 LEU HA H 1 5.074 0.05 A 69 LEU HBy H 1 1.140 0.05 A 69 LEU HBx H 1 0.566 0.05 A 69 LEU HD1% H 1 0.855 0.05 A 69 LEU HD2% H 1 0.661 0.05 A 69 LEU HG H 1 1.521 0.05 A 69 LEU C C 13 175.502 0.15 A 69 LEU CA C 13 55.186 0.15 A 69 LEU CB C 13 42.702 0.15 A 69 LEU CDy C 13 26.370 0.15 A 69 LEU CDx C 13 26.268 0.15 A 69 LEU CG C 13 28.502 0.15 A 69 LEU N N 15 128.686 0.15 A 70 CYS H H 1 8.767 0.05 A 70 CYS HA H 1 5.237 0.05 A 70 CYS HB2 H 1 2.554 0.05 A 70 CYS C C 13 173.558 0.15 A 70 CYS CA C 13 57.609 0.15 A 70 CYS CB C 13 29.830 0.15 A 70 CYS N N 15 120.856 0.15 A 71 ASP H H 1 9.109 0.05 A 71 ASP HA H 1 5.193 0.05 A 71 ASP HBx H 1 2.695 0.05 A 71 ASP HBy H 1 2.823 0.05 A 71 ASP C C 13 175.440 0.15 A 71 ASP CA C 13 53.705 0.15 A 71 ASP CB C 13 44.774 0.15 A 71 ASP N N 15 124.936 0.15 A 72 LYS H H 1 8.262 0.05 A 72 LYS HA H 1 4.553 0.05 A 72 LYS HBy H 1 1.904 0.05 A 72 LYS HBx H 1 1.586 0.05 A 72 LYS HD2 H 1 1.552 0.05 A 72 LYS HE2 H 1 2.761 0.05 A 72 LYS HGx H 1 1.050 0.05 A 72 LYS HGy H 1 1.351 0.05 A 72 LYS C C 13 177.732 0.15 A 72 LYS CA C 13 55.608 0.15 A 72 LYS CB C 13 32.469 0.15 A 72 LYS CE C 13 41.294 0.15 A 72 LYS CG C 13 24.975 0.15 A 72 LYS N N 15 120.339 0.15 A 73 PHE H H 1 8.663 0.05 A 73 PHE HA H 1 4.357 0.05 A 73 PHE HBy H 1 3.240 0.05 A 73 PHE HBx H 1 3.032 0.05 A 73 PHE HD1 H 1 7.301 0.05 A 73 PHE HD2 H 1 7.301 0.05 A 73 PHE C C 13 177.148 0.15 A 73 PHE CA C 13 60.214 0.15 A 73 PHE CB C 13 39.157 0.15 A 73 PHE CD2 C 13 131.621 0.15 A 73 PHE N N 15 121.961 0.15 A 74 SER H H 1 8.780 0.05 A 74 SER HA H 1 4.353 0.05 A 74 SER HB2 H 1 3.976 0.05 A 74 SER C C 13 174.810 0.15 A 74 SER CA C 13 58.965 0.15 A 74 SER CB C 13 63.650 0.15 A 74 SER N N 15 114.021 0.15 A 75 GLY H H 1 8.004 0.05 A 75 GLY HAx H 1 3.635 0.05 A 75 GLY HAy H 1 4.221 0.05 A 75 GLY C C 13 173.254 0.15 A 75 GLY CA C 13 45.162 0.15 A 75 GLY N N 15 108.714 0.15 A 76 HIS H H 1 7.670 0.05 A 76 HIS HA H 1 5.020 0.05 A 76 HIS HBx H 1 3.038 0.05 A 76 HIS HBy H 1 3.216 0.05 A 76 HIS HD2 H 1 7.204 0.05 A 76 HIS CA C 13 52.522 0.15 A 76 HIS CB C 13 29.410 0.15 A 76 HIS N N 15 118.164 0.15 A 77 PRO HA H 1 4.551 0.05 A 77 PRO HB2 H 1 1.451 0.05 A 77 PRO HDy H 1 3.677 0.05 A 77 PRO HDx H 1 3.566 0.05 A 77 PRO HGy H 1 1.803 0.05 A 77 PRO HGx H 1 1.517 0.05 A 77 PRO C C 13 176.458 0.15 A 77 PRO CA C 13 63.263 0.15 A 77 PRO CB C 13 32.077 0.15 A 77 PRO CD C 13 50.551 0.15 A 77 PRO CG C 13 27.626 0.15 A 78 LYS H H 1 8.846 0.05 A 78 LYS HA H 1 4.772 0.05 A 78 LYS HBx H 1 1.943 0.05 A 78 LYS HBy H 1 2.029 0.05 A 78 LYS HD2 H 1 1.785 0.05 A 78 LYS HE2 H 1 3.032 0.05 A 78 LYS HG2 H 1 1.551 0.05 A 78 LYS CA C 13 55.964 0.15 A 78 LYS CB C 13 35.816 0.15 A 78 LYS CE C 13 42.160 0.15 A 78 LYS N N 15 124.197 0.15 A 79 GLY H H 1 8.352 0.05 A 79 GLY HAx H 1 3.871 0.05 A 79 GLY HAy H 1 5.451 0.05 A 79 GLY C C 13 173.400 0.15 A 79 GLY CA C 13 45.189 0.15 A 79 GLY N N 15 109.568 0.15 A 80 TYR H H 1 8.856 0.05 A 80 TYR HA H 1 4.940 0.05 A 80 TYR HBy H 1 3.336 0.05 A 80 TYR HBx H 1 2.948 0.05 A 80 TYR HD1 H 1 6.823 0.05 A 80 TYR HD2 H 1 6.823 0.05 A 80 TYR HE1 H 1 6.800 0.05 A 80 TYR HE2 H 1 6.800 0.05 A 80 TYR C C 13 171.720 0.15 A 80 TYR CA C 13 56.267 0.15 A 80 TYR CB C 13 40.003 0.15 A 80 TYR CE2 C 13 118.245 0.15 A 80 TYR N N 15 120.052 0.15 A 81 ALA H H 1 9.215 0.05 A 81 ALA HA H 1 5.386 0.05 A 81 ALA HB% H 1 1.065 0.05 A 81 ALA C C 13 175.357 0.15 A 81 ALA CA C 13 50.089 0.15 A 81 ALA CB C 13 24.030 0.15 A 81 ALA N N 15 120.138 0.15 A 82 TYR H H 1 8.974 0.05 A 82 TYR HA H 1 5.885 0.05 A 82 TYR HBy H 1 3.061 0.05 A 82 TYR HBx H 1 2.684 0.05 A 82 TYR HD1 H 1 7.083 0.05 A 82 TYR HD2 H 1 7.083 0.05 A 82 TYR HE1 H 1 6.987 0.05 A 82 TYR HE2 H 1 6.987 0.05 A 82 TYR C C 13 176.232 0.15 A 82 TYR CA C 13 55.626 0.15 A 82 TYR CB C 13 41.536 0.15 A 82 TYR N N 15 114.621 0.15 A 83 ILE H H 1 8.644 0.05 A 83 ILE HA H 1 4.275 0.05 A 83 ILE HB H 1 1.175 0.05 A 83 ILE HD1% H 1 0.022 0.05 A 83 ILE HG12 H 1 0.924 0.05 A 83 ILE HG13 H 1 0.624 0.05 A 83 ILE HG2% H 1 -0.181 0.05 A 83 ILE C C 13 173.516 0.15 A 83 ILE CA C 13 60.345 0.15 A 83 ILE CB C 13 39.535 0.15 A 83 ILE CD1 C 13 13.863 0.15 A 83 ILE CG1 C 13 26.737 0.15 A 83 ILE CG2 C 13 17.227 0.15 A 83 ILE N N 15 122.447 0.15 A 84 GLU H H 1 8.612 0.05 A 84 GLU HA H 1 4.801 0.05 A 84 GLU HBy H 1 1.982 0.05 A 84 GLU HBx H 1 1.764 0.05 A 84 GLU C C 13 176.111 0.15 A 84 GLU CA C 13 54.496 0.15 A 84 GLU CB C 13 31.499 0.15 A 84 GLU N N 15 127.346 0.15 A 85 PHE H H 1 9.087 0.05 A 85 PHE HA H 1 4.817 0.05 A 85 PHE HBx H 1 3.103 0.05 A 85 PHE HBy H 1 3.577 0.05 A 85 PHE HD1 H 1 7.153 0.05 A 85 PHE HD2 H 1 7.153 0.05 A 85 PHE HE1 H 1 7.040 0.05 A 85 PHE HE2 H 1 7.040 0.05 A 85 PHE HZ H 1 6.927 0.05 A 85 PHE C C 13 174.422 0.15 A 85 PHE CA C 13 59.072 0.15 A 85 PHE CB C 13 40.765 0.15 A 85 PHE N N 15 128.049 0.15 A 86 ALA H H 1 8.192 0.05 A 86 ALA HA H 1 4.239 0.05 A 86 ALA HB% H 1 1.450 0.05 A 86 ALA C C 13 178.143 0.15 A 86 ALA CA C 13 54.524 0.15 A 86 ALA CB C 13 19.510 0.15 A 86 ALA N N 15 120.669 0.15 A 87 GLU H H 1 8.455 0.05 A 87 GLU HA H 1 4.765 0.05 A 87 GLU HBx H 1 1.994 0.05 A 87 GLU HBy H 1 2.291 0.05 A 87 GLU HG2 H 1 2.347 0.05 A 87 GLU C C 13 176.472 0.15 A 87 GLU CA C 13 54.353 0.15 A 87 GLU CB C 13 32.624 0.15 A 87 GLU CG C 13 35.662 0.15 A 87 GLU N N 15 114.204 0.15 A 88 ARG H H 1 8.917 0.05 A 88 ARG HA H 1 3.961 0.05 A 88 ARG HBy H 1 1.964 0.05 A 88 ARG HBx H 1 1.905 0.05 A 88 ARG HDy H 1 3.299 0.05 A 88 ARG HDx H 1 3.200 0.05 A 88 ARG HG2 H 1 1.791 0.05 A 88 ARG C C 13 178.900 0.15 A 88 ARG CA C 13 59.548 0.15 A 88 ARG CB C 13 30.073 0.15 A 88 ARG CD C 13 43.606 0.15 A 88 ARG CG C 13 27.016 0.15 A 88 ARG N N 15 121.592 0.15 A 89 ASN H H 1 8.845 0.05 A 89 ASN HA H 1 4.497 0.05 A 89 ASN HB2 H 1 2.880 0.05 A 89 ASN HD2x H 1 6.872 0.05 A 89 ASN HD2y H 1 7.628 0.05 A 89 ASN C C 13 177.179 0.15 A 89 ASN CA C 13 55.861 0.15 A 89 ASN CB C 13 37.330 0.15 A 89 ASN N N 15 116.555 0.15 A 89 ASN ND2 N 15 112.193 0.15 A 90 SER H H 1 7.513 0.05 A 90 SER HA H 1 4.006 0.05 A 90 SER HBx H 1 2.450 0.05 A 90 SER HBy H 1 3.347 0.05 A 90 SER C C 13 174.511 0.15 A 90 SER CA C 13 61.395 0.15 A 90 SER CB C 13 63.424 0.15 A 90 SER N N 15 116.007 0.15 A 91 VAL H H 1 7.653 0.05 A 91 VAL HA H 1 3.201 0.05 A 91 VAL HB H 1 2.288 0.05 A 91 VAL HGx% H 1 1.145 0.05 A 91 VAL HGy% H 1 0.956 0.05 A 91 VAL C C 13 176.991 0.15 A 91 VAL CA C 13 66.851 0.15 A 91 VAL CB C 13 31.599 0.15 A 91 VAL CGy C 13 23.419 0.15 A 91 VAL CGx C 13 20.358 0.15 A 91 VAL N N 15 119.934 0.15 A 92 ASP H H 1 7.192 0.05 A 92 ASP HA H 1 4.321 0.05 A 92 ASP HB2 H 1 2.682 0.05 A 92 ASP C C 13 178.585 0.15 A 92 ASP CA C 13 57.401 0.15 A 92 ASP CB C 13 40.078 0.15 A 92 ASP N N 15 117.084 0.15 A 93 ALA H H 1 6.946 0.05 A 93 ALA HA H 1 4.186 0.05 A 93 ALA HB% H 1 1.502 0.05 A 93 ALA C C 13 179.272 0.15 A 93 ALA CA C 13 54.445 0.15 A 93 ALA CB C 13 18.164 0.15 A 93 ALA N N 15 121.045 0.15 A 94 ALA H H 1 8.033 0.05 A 94 ALA HA H 1 4.545 0.05 A 94 ALA HB% H 1 1.639 0.05 A 94 ALA C C 13 180.529 0.15 A 94 ALA CA C 13 55.518 0.15 A 94 ALA CB C 13 19.455 0.15 A 94 ALA N N 15 122.191 0.15 A 95 VAL H H 1 8.565 0.05 A 95 VAL HA H 1 3.741 0.05 A 95 VAL HB H 1 2.337 0.05 A 95 VAL HGx% H 1 1.084 0.05 A 95 VAL HGy% H 1 1.094 0.05 A 95 VAL C C 13 178.767 0.15 A 95 VAL CA C 13 65.820 0.15 A 95 VAL CB C 13 31.501 0.15 A 95 VAL CGy C 13 22.591 0.15 A 95 VAL CGx C 13 21.697 0.15 A 95 VAL N N 15 117.405 0.15 A 96 ALA H H 1 7.354 0.05 A 96 ALA HA H 1 4.403 0.05 A 96 ALA HB% H 1 1.571 0.05 A 96 ALA C C 13 178.242 0.15 A 96 ALA CA C 13 53.916 0.15 A 96 ALA CB C 13 17.841 0.15 A 96 ALA N N 15 122.769 0.15 A 97 MET H H 1 7.980 0.05 A 97 MET HA H 1 4.471 0.05 A 97 MET HBy H 1 2.491 0.05 A 97 MET HBx H 1 2.141 0.05 A 97 MET HE% H 1 1.571 0.05 A 97 MET HGx H 1 2.418 0.05 A 97 MET HGy H 1 2.534 0.05 A 97 MET C C 13 175.959 0.15 A 97 MET CA C 13 55.150 0.15 A 97 MET CB C 13 31.663 0.15 A 97 MET CE C 13 17.176 0.15 A 97 MET CG C 13 32.439 0.15 A 97 MET N N 15 115.573 0.15 A 98 ASP H H 1 7.852 0.05 A 98 ASP HA H 1 4.422 0.05 A 98 ASP HBx H 1 2.702 0.05 A 98 ASP HBy H 1 3.484 0.05 A 98 ASP C C 13 175.976 0.15 A 98 ASP CA C 13 57.476 0.15 A 98 ASP CB C 13 42.008 0.15 A 98 ASP N N 15 121.576 0.15 A 99 GLU H H 1 8.643 0.05 A 99 GLU HA H 1 4.154 0.05 A 99 GLU HBy H 1 2.327 0.05 A 99 GLU HBx H 1 2.272 0.05 A 99 GLU HGy H 1 2.449 0.05 A 99 GLU HGx H 1 2.252 0.05 A 99 GLU C C 13 176.369 0.15 A 99 GLU CA C 13 58.403 0.15 A 99 GLU CB C 13 26.214 0.15 A 99 GLU CG C 13 36.160 0.15 A 99 GLU N N 15 119.455 0.15 A 100 THR H H 1 7.416 0.05 A 100 THR HA H 1 4.498 0.05 A 100 THR HB H 1 4.514 0.05 A 100 THR HG2% H 1 1.324 0.05 A 100 THR C C 13 172.876 0.15 A 100 THR CA C 13 61.065 0.15 A 100 THR CB C 13 72.140 0.15 A 100 THR CG2 C 13 22.672 0.15 A 100 THR N N 15 107.670 0.15 A 101 VAL H H 1 8.252 0.05 A 101 VAL HA H 1 4.638 0.05 A 101 VAL HB H 1 1.901 0.05 A 101 VAL HGx% H 1 0.890 0.05 A 101 VAL HGy% H 1 0.731 0.05 A 101 VAL C C 13 176.138 0.15 A 101 VAL CA C 13 62.299 0.15 A 101 VAL CB C 13 32.215 0.15 A 101 VAL CGy C 13 21.743 0.15 A 101 VAL CGx C 13 21.163 0.15 A 101 VAL N N 15 118.227 0.15 A 102 PHE H H 1 9.300 0.05 A 102 PHE HA H 1 4.671 0.05 A 102 PHE HBx H 1 2.104 0.05 A 102 PHE HBy H 1 2.703 0.05 A 102 PHE HD1 H 1 6.967 0.05 A 102 PHE HD2 H 1 6.967 0.05 A 102 PHE HE1 H 1 7.054 0.05 A 102 PHE HE2 H 1 7.054 0.05 A 102 PHE C C 13 174.216 0.15 A 102 PHE CA C 13 56.205 0.15 A 102 PHE CB C 13 41.707 0.15 A 102 PHE N N 15 128.863 0.15 A 103 ARG H H 1 9.167 0.05 A 103 ARG HA H 1 3.389 0.05 A 103 ARG HBy H 1 1.709 0.05 A 103 ARG HBx H 1 0.946 0.05 A 103 ARG HDx H 1 2.717 0.05 A 103 ARG HDy H 1 3.040 0.05 A 103 ARG HE H 1 7.515 0.05 A 103 ARG HGy H 1 0.879 0.05 A 103 ARG HGx H 1 0.198 0.05 A 103 ARG HH11 H 1 6.555 0.05 A 103 ARG C C 13 176.014 0.15 A 103 ARG CA C 13 57.215 0.15 A 103 ARG CB C 13 27.382 0.15 A 103 ARG CD C 13 42.874 0.15 A 103 ARG CG C 13 26.890 0.15 A 103 ARG N N 15 128.268 0.15 A 103 ARG NE N 15 83.161 0.15 A 104 GLY H H 1 8.005 0.05 A 104 GLY HAy H 1 4.006 0.05 A 104 GLY HAx H 1 3.455 0.05 A 104 GLY C C 13 173.766 0.15 A 104 GLY CA C 13 45.598 0.15 A 104 GLY N N 15 101.324 0.15 A 105 ARG H H 1 7.681 0.05 A 105 ARG HA H 1 4.735 0.05 A 105 ARG HBy H 1 1.950 0.05 A 105 ARG HBx H 1 1.803 0.05 A 105 ARG HDx H 1 3.075 0.05 A 105 ARG HDy H 1 3.163 0.05 A 105 ARG HE H 1 7.171 0.05 A 105 ARG HGy H 1 1.624 0.05 A 105 ARG HGx H 1 1.590 0.05 A 105 ARG C C 13 174.543 0.15 A 105 ARG CA C 13 54.071 0.15 A 105 ARG CB C 13 33.159 0.15 A 105 ARG CD C 13 43.265 0.15 A 105 ARG CG C 13 27.272 0.15 A 105 ARG N N 15 119.837 0.15 A 105 ARG NE N 15 84.791 0.15 A 106 THR H H 1 8.604 0.05 A 106 THR HA H 1 4.593 0.05 A 106 THR HB H 1 4.016 0.05 A 106 THR HG2% H 1 1.123 0.05 A 106 THR C C 13 175.643 0.15 A 106 THR CA C 13 62.821 0.15 A 106 THR CB C 13 68.784 0.15 A 106 THR CG2 C 13 21.971 0.15 A 106 THR N N 15 118.251 0.15 A 107 ILE H H 1 8.756 0.05 A 107 ILE HA H 1 4.884 0.05 A 107 ILE HB H 1 2.003 0.05 A 107 ILE HD1% H 1 0.651 0.05 A 107 ILE HG12 H 1 1.531 0.05 A 107 ILE HG13 H 1 1.401 0.05 A 107 ILE HG2% H 1 1.007 0.05 A 107 ILE C C 13 174.877 0.15 A 107 ILE CA C 13 60.834 0.15 A 107 ILE CB C 13 40.644 0.15 A 107 ILE CD1 C 13 14.901 0.15 A 107 ILE CG1 C 13 24.838 0.15 A 107 ILE CG2 C 13 19.019 0.15 A 107 ILE N N 15 123.422 0.15 A 108 LYS H H 1 7.412 0.05 A 108 LYS HA H 1 5.524 0.05 A 108 LYS HB3 H 1 1.737 0.05 A 108 LYS HD2 H 1 1.984 0.05 A 108 LYS HEx H 1 3.022 0.05 A 108 LYS HEy H 1 3.140 0.05 A 108 LYS HGy H 1 1.663 0.05 A 108 LYS HGx H 1 1.502 0.05 A 108 LYS C C 13 175.839 0.15 A 108 LYS CA C 13 52.172 0.15 A 108 LYS CB C 13 33.947 0.15 A 108 LYS CD C 13 27.532 0.15 A 108 LYS CE C 13 41.253 0.15 A 108 LYS CG C 13 23.845 0.15 A 108 LYS N N 15 121.402 0.15 A 109 VAL H H 1 9.467 0.05 A 109 VAL HA H 1 5.410 0.05 A 109 VAL HB H 1 1.987 0.05 A 109 VAL HGx% H 1 1.105 0.05 A 109 VAL HGy% H 1 0.919 0.05 A 109 VAL C C 13 174.514 0.15 A 109 VAL CA C 13 61.258 0.15 A 109 VAL CB C 13 34.289 0.15 A 109 VAL CG1 C 13 21.772 0.15 A 109 VAL CG2 C 13 21.945 0.15 A 109 VAL N N 15 125.530 0.15 A 110 LEU H H 1 9.081 0.05 A 110 LEU HA H 1 5.109 0.05 A 110 LEU HB2 H 1 1.596 0.05 A 110 LEU HDx% H 1 0.899 0.05 A 110 LEU HDy% H 1 1.074 0.05 A 110 LEU HG H 1 1.684 0.05 A 110 LEU CA C 13 51.660 0.15 A 110 LEU CB C 13 46.037 0.15 A 110 LEU CDy C 13 25.911 0.15 A 110 LEU CDx C 13 24.298 0.15 A 110 LEU CG C 13 27.097 0.15 A 110 LEU N N 15 125.323 0.15 A 111 PRO HA H 1 4.539 0.05 A 111 PRO HBy H 1 2.424 0.05 A 111 PRO HBx H 1 1.957 0.05 A 111 PRO HDy H 1 3.825 0.05 A 111 PRO HDx H 1 3.687 0.05 A 111 PRO HGx H 1 1.965 0.05 A 111 PRO HGy H 1 2.210 0.05 A 111 PRO C C 13 176.222 0.15 A 111 PRO CA C 13 63.390 0.15 A 111 PRO CB C 13 31.697 0.15 A 111 PRO CD C 13 50.411 0.15 A 111 PRO CG C 13 28.033 0.15 A 112 LYS H H 1 8.121 0.05 A 112 LYS HA H 1 4.113 0.05 A 112 LYS HBx H 1 1.328 0.05 A 112 LYS HBy H 1 1.975 0.05 A 112 LYS HEy H 1 2.243 0.05 A 112 LYS HEx H 1 1.962 0.05 A 112 LYS HGx H 1 1.265 0.05 A 112 LYS HGy H 1 1.299 0.05 A 112 LYS C C 13 175.830 0.15 A 112 LYS CA C 13 58.405 0.15 A 112 LYS CB C 13 33.746 0.15 A 112 LYS CE C 13 41.236 0.15 A 112 LYS CG C 13 26.027 0.15 A 112 LYS N N 15 124.317 0.15 A 113 ARG H H 1 8.228 0.05 A 113 ARG HA H 1 4.451 0.05 A 113 ARG HBx H 1 1.701 0.05 A 113 ARG HBy H 1 1.831 0.05 A 113 ARG HD2 H 1 3.195 0.05 A 113 ARG HG2 H 1 1.591 0.05 A 113 ARG C C 13 175.758 0.15 A 113 ARG CA C 13 55.468 0.15 A 113 ARG CB C 13 31.550 0.15 A 113 ARG CD C 13 43.493 0.15 A 113 ARG N N 15 121.228 0.15 A 114 THR H H 1 8.138 0.05 A 114 THR HA H 1 4.264 0.05 A 114 THR HB H 1 4.134 0.05 A 114 THR HG2% H 1 1.185 0.05 A 114 THR C C 13 174.043 0.15 A 114 THR CA C 13 62.229 0.15 A 114 THR CB C 13 69.682 0.15 A 114 THR CG2 C 13 21.761 0.15 A 114 THR N N 15 116.384 0.15 A 115 ASN H H 1 8.406 0.05 A 115 ASN HA H 1 4.682 0.05 A 115 ASN HB2 H 1 2.760 0.05 A 115 ASN HB3 H 1 2.703 0.05 A 115 ASN HD2y H 1 7.489 0.05 A 115 ASN HD2x H 1 6.807 0.05 A 115 ASN C C 13 174.513 0.15 A 115 ASN CA C 13 53.242 0.15 A 115 ASN CB C 13 38.888 0.15 A 115 ASN N N 15 120.871 0.15 A 115 ASN ND2 N 15 112.287 0.15 A 116 MET H H 1 8.138 0.05 A 116 MET CA C 13 53.400 0.15 A 116 MET CB C 13 32.829 0.15 A 116 MET N N 15 121.611 0.15 A 117 PRO HA H 1 4.428 0.05 A 117 PRO HBx H 1 1.921 0.05 A 117 PRO HBy H 1 2.261 0.05 A 117 PRO C C 13 175.935 1.0 A 117 PRO CA C 13 63.489 0.15 A 117 PRO CB C 13 32.105 0.15 A 118 GLY H H 1 8.411 0.05 A 118 GLY HAx H 1 3.927 0.05 A 118 GLY HAy H 1 4.389 0.05 A 118 GLY C C 13 174.117 0.15 A 118 GLY CA C 13 45.470 0.15 A 118 GLY N N 15 109.241 0.15 A 119 ILE H H 1 7.825 0.05 A 119 ILE HA H 1 4.234 0.05 A 119 ILE HB H 1 1.870 0.05 A 119 ILE HD1% H 1 0.807 0.05 A 119 ILE HG12 H 1 1.144 0.05 A 119 ILE HG13 H 1 1.394 0.05 A 119 ILE HG2% H 1 0.877 0.05 A 119 ILE C C 13 176.261 0.15 A 119 ILE CA C 13 61.029 0.15 A 119 ILE CB C 13 38.878 0.15 A 119 ILE CD1 C 13 13.099 0.15 A 119 ILE CG2 C 13 17.684 0.15 A 119 ILE N N 15 119.504 0.15 A 120 SER H H 1 8.397 0.05 A 120 SER HA H 1 4.534 0.05 A 120 SER HB2 H 1 3.876 0.05 A 120 SER C C 13 174.692 0.15 A 120 SER CA C 13 58.150 0.15 A 120 SER CB C 13 63.997 0.15 A 120 SER N N 15 119.359 0.15 A 121 SER H H 1 8.371 0.05 A 121 SER HA H 1 4.360 0.05 A 121 SER C C 13 174.809 0.15 A 121 SER CA C 13 58.656 0.15 A 121 SER CB C 13 63.795 0.15 A 121 SER N N 15 118.036 0.15 A 122 THR H H 1 8.100 0.05 A 122 THR C C 13 174.254 0.15 A 122 THR CA C 13 61.829 0.15 A 122 THR CB C 13 69.537 0.15 A 122 THR N N 15 114.163 0.15 A 123 ASP H H 1 8.197 0.05 A 123 ASP HA H 1 4.641 0.05 A 123 ASP HB2 H 1 2.706 0.05 A 123 ASP C C 13 174.975 0.15 A 123 ASP CA C 13 54.542 0.15 A 123 ASP CB C 13 41.144 0.15 A 123 ASP N N 15 122.772 0.15 A 124 ARG H H 1 7.768 0.05 A 124 ARG CA C 13 57.468 0.15 A 124 ARG CB C 13 31.658 0.15 A 124 ARG N N 15 125.385 0.15 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ILE HA A 2 ILE HB 1.0 0.0 4.07 2 2 A 2 ILE HA A 3 ALA H 1.0 0.0 4.32 3 3 A 2 ILE HB A 2 ILE H 1.0 0.0 5.50 4 4 A 4 PRO HA A 5 CYS H 1.0 0.0 5.50 5 5 A 5 CYS HA A 6 MET H 1.0 0.0 4.87 6 6 A 6 MET HA A 6 MET HB2 1.0 0.0 4.76 7 7 A 7 GLN HA A 7 GLN HB2 1.0 0.0 5.44 8 8 A 7 GLN HA A 8 THR H 1.0 0.0 4.52 9 9 A 7 GLN HB2 A 7 GLN H 1.0 0.0 5.50 10 10 A 8 THR HA A 9 THR H 1.0 0.0 4.56 11 11 A 9 THR H A 8 THR HB 1.0 0.0 5.14 12 12 A 9 THR H A 9 THR HA 1.0 0.0 5.33 13 13 A 9 THR H A 9 THR HB 1.0 0.0 5.50 14 14 A 11 SER HA A 12 LYS H 1.0 0.0 4.43 15 15 A 12 LYS HA A 12 LYS HG2 1.0 0.0 4.83 16 16 A 12 LYS HA A 13 MET H 1.0 0.0 4.40 17 17 A 13 MET H A 12 LYS HB2 1.0 0.0 5.45 18 18 A 12 LYS H A 12 LYS HG2 1.0 0.0 5.50 19 19 A 13 MET HA A 13 MET HB2 1.0 0.0 4.19 20 20 A 13 MET HA A 14 THR H 1.0 0.0 4.03 21 21 A 13 MET H A 13 MET HA 1.0 0.0 4.59 22 22 A 14 THR HA A 15 ALA H 1.0 0.0 3.94 23 23 A 15 ALA H A 14 THR HG2% 1.0 0.0 5.50 24 24 A 14 THR H A 14 THR HA 1.0 0.0 4.94 25 25 A 15 ALA HA A 16 GLY H 1.0 0.0 3.84 26 26 A 15 ALA HB% A 17 ALA H 1.0 0.0 5.50 27 27 A 16 GLY HAy A 17 ALA HB% 1.0 0.0 5.50 28 28 A 17 ALA H A 16 GLY HAy 1.0 0.0 3.90 29 29 A 16 GLY H A 16 GLY HAy 1.0 0.0 3.94 30 30 A 16 GLY H A 17 ALA HA 1.0 0.0 5.50 31 31 A 17 ALA HB% A 17 ALA HA 1.0 0.0 3.70 32 32 A 17 ALA HA A 18 TYR H 1.0 0.0 4.14 33 33 A 17 ALA HB% A 18 TYR HA 1.0 0.0 5.50 34 34 A 17 ALA H A 17 ALA HA 1.0 0.0 4.54 35 35 A 17 ALA H A 17 ALA HB% 1.0 0.0 3.89 36 36 A 18 TYR HA A 18 TYR HBx 1.0 0.0 4.24 37 37 A 18 TYR HA A 18 TYR HBy 1.0 0.0 4.28 38 38 A 18 TYR HA A 19 THR H 1.0 0.0 3.82 39 39 A 18 TYR HBx A 18 TYR HD2 1.0 0.0 4.56 40 40 A 18 TYR HBx A 19 THR H 1.0 0.0 5.50 41 41 A 18 TYR HBy A 18 TYR HD2 1.0 0.0 4.61 42 42 A 18 TYR HBy A 19 THR H 1.0 0.0 5.50 43 43 A 18 TYR H A 18 TYR HA 1.0 0.0 4.42 44 44 A 18 TYR H A 18 TYR HBx 1.0 0.0 5.20 45 45 A 18 TYR H A 18 TYR HBy 1.0 0.0 5.22 46 46 A 19 THR HA A 20 GLU H 1.0 0.0 4.04 47 47 A 20 GLU H A 19 THR HG2% 1.0 0.0 5.50 48 48 A 19 THR HG2% A 21 GLY H 1.0 0.0 5.50 49 49 A 19 THR H A 19 THR HA 1.0 0.0 4.63 50 50 A 19 THR H A 19 THR HG2% 1.0 0.0 4.57 51 51 A 20 GLU HA A 20 GLU HBx 1.0 0.0 4.39 52 52 A 20 GLU HA A 20 GLU HBy 1.0 0.0 4.20 53 53 A 20 GLU HA A 20 GLU HG2 1.0 0.0 4.30 54 54 A 20 GLU HA A 21 GLY HAy 1.0 0.0 5.50 55 55 A 21 GLY H A 20 GLU HA 1.0 0.0 3.84 56 56 A 20 GLU HA B 80 TYR HE% 1.0 0.0 5.50 57 57 A 20 GLU HBx A 20 GLU HBy 1.0 0.0 3.13 58 58 A 20 GLU HBx A 20 GLU HG2 1.0 0.0 3.68 59 59 A 21 GLY H A 20 GLU HBx 1.0 0.0 5.31 60 60 A 20 GLU HBx B 80 TYR HE% 1.0 0.0 5.50 61 61 A 20 GLU HBy A 20 GLU HG2 1.0 0.0 3.23 62 62 A 21 GLY H A 20 GLU HBy 1.0 0.0 5.21 63 63 A 20 GLU HBy B 80 TYR HE% 1.0 0.0 5.50 64 64 A 21 GLY H A 20 GLU HG2 1.0 0.0 5.46 65 65 A 20 GLU HG2 B 80 TYR HE% 1.0 0.0 5.50 66 66 A 20 GLU H A 20 GLU HA 1.0 0.0 4.73 67 67 A 20 GLU H A 20 GLU HBx 1.0 0.0 4.47 68 68 A 20 GLU H A 20 GLU HBy 1.0 0.0 4.79 69 69 A 20 GLU H A 20 GLU HG2 1.0 0.0 4.83 70 70 A 21 GLY HAy A 22 PRO HDy 1.0 0.0 4.08 71 71 A 21 GLY HAy A 22 PRO HDx 1.0 0.0 4.38 72 72 A 21 GLY HAy B 40 TYR HBx 1.0 0.0 5.50 73 73 A 21 GLY HAy B 40 TYR HE% 1.0 0.0 5.50 74 74 A 21 GLY HAy B 82 TYR HE% 1.0 0.0 5.50 75 75 A 21 GLY HAy B 110 LEU HD11 1.0 0.0 5.30 76 76 A 21 GLY H A 21 GLY HAy 1.0 0.0 4.05 77 77 A 21 GLY H A 22 PRO HDy 1.0 0.0 5.50 78 78 A 21 GLY H A 22 PRO HDx 1.0 0.0 5.50 79 79 A 21 GLY H B 82 TYR HE% 1.0 0.0 5.50 80 80 A 22 PRO HA A 22 PRO HBx 1.0 0.0 4.75 81 81 A 22 PRO HA A 22 PRO HBy 1.0 0.0 4.61 82 82 A 22 PRO HDx A 22 PRO HA 1.0 0.0 5.50 83 83 A 22 PRO HA A 22 PRO HGy 1.0 0.0 4.87 84 84 A 22 PRO HA A 23 PRO HDy 1.0 0.0 4.64 85 85 A 22 PRO HA A 23 PRO HDx 1.0 0.0 4.42 86 86 B 40 TYR HE% A 22 PRO HBy 1.0 0.0 5.50 87 87 A 22 PRO HDy A 22 PRO HBx 1.0 0.0 4.59 88 88 A 22 PRO HDy A 22 PRO HBy 1.0 0.0 4.75 89 89 A 22 PRO HDy A 22 PRO HGx 1.0 0.0 4.64 90 90 A 22 PRO HDy B 110 LEU HD11 1.0 0.0 5.50 91 91 A 22 PRO HDx A 22 PRO HBx 1.0 0.0 5.50 92 92 A 22 PRO HDx A 22 PRO HBy 1.0 0.0 5.50 93 93 A 22 PRO HDx A 22 PRO HGy 1.0 0.0 4.78 94 94 A 22 PRO HDx A 22 PRO HGx 1.0 0.0 4.43 95 95 A 22 PRO HDx B 40 TYR HE% 1.0 0.0 5.50 96 96 A 22 PRO HDx B 110 LEU HD11 1.0 0.0 5.27 97 97 A 22 PRO HGy A 22 PRO HGx 1.0 0.0 3.63 98 98 B 40 TYR HE% A 22 PRO HGy 1.0 0.0 5.50 99 99 B 82 TYR HE% A 22 PRO HGy 1.0 0.0 5.50 100 100 A 22 PRO HA A 22 PRO HGx 1.0 0.0 5.50 101 101 A 23 PRO HA A 23 PRO HBy 1.0 0.0 3.89 102 102 A 23 PRO HA A 23 PRO HBx 1.0 0.0 3.97 103 103 A 23 PRO HA A 23 PRO HG2 1.0 0.0 4.77 104 104 A 23 PRO HA A 24 GLN HG2 1.0 0.0 4.92 105 105 A 23 PRO HA A 24 GLN H 1.0 0.0 3.70 106 106 A 23 PRO HBy A 23 PRO HG2 1.0 0.0 4.14 107 107 A 23 PRO HBy A 24 GLN H 1.0 0.0 4.81 108 108 B 80 TYR HE% A 23 PRO HBy 1.0 0.0 5.50 109 109 A 23 PRO HBy A 23 PRO HBx 1.0 0.0 3.24 110 110 A 23 PRO HBx A 24 GLN H 1.0 0.0 4.01 111 111 A 23 PRO HBx A 26 LEU HDx% 1.0 0.0 4.87 112 112 B 80 TYR HE% A 23 PRO HBx 1.0 0.0 5.50 113 113 B 40 TYR HE% A 23 PRO HDy 1.0 0.0 5.50 114 114 A 23 PRO HDx A 23 PRO HA 1.0 0.0 5.50 115 115 A 23 PRO HDx A 23 PRO HBy 1.0 0.0 5.10 116 116 A 23 PRO HDx A 23 PRO HBx 1.0 0.0 4.98 117 117 A 23 PRO HDx A 23 PRO HG2 1.0 0.0 3.76 118 118 B 40 TYR HE% A 23 PRO HDx 1.0 0.0 5.50 119 119 B 80 TYR HE% A 23 PRO HDx 1.0 0.0 5.50 120 120 A 23 PRO HG2 A 24 GLN H 1.0 0.0 5.50 121 121 B 80 TYR HE% A 23 PRO HG2 1.0 0.0 5.50 122 122 A 24 GLN HA A 24 GLN HBx 1.0 0.0 4.42 123 123 A 24 GLN HA A 24 GLN HBy 1.0 0.0 4.30 124 124 A 24 GLN HG2 A 24 GLN HA 1.0 0.0 4.17 125 125 A 24 GLN HA A 25 PRO HDy 1.0 0.0 3.81 126 126 A 24 GLN HA A 25 PRO HDx 1.0 0.0 3.91 127 127 A 24 GLN HA A 25 PRO HGx 1.0 0.0 5.10 128 128 A 24 GLN HBx A 24 GLN HBy 1.0 0.0 3.29 129 129 A 24 GLN HG2 A 24 GLN HBx 1.0 0.0 3.48 130 130 A 24 GLN HBx A 25 PRO HDx 1.0 0.0 4.85 131 131 A 24 GLN HG2 A 24 GLN HBy 1.0 0.0 3.56 132 132 A 24 GLN HBy A 25 PRO HDx 1.0 0.0 4.63 133 133 A 24 GLN HG2 A 24 GLN HE2y 1.0 0.0 4.92 134 134 A 24 GLN HG2 A 24 GLN HE2x 1.0 0.0 5.23 135 135 A 24 GLN HG2 A 25 PRO HDy 1.0 0.0 4.96 136 136 A 24 GLN HG2 A 25 PRO HDx 1.0 0.0 4.68 137 137 A 24 GLN H A 24 GLN HA 1.0 0.0 4.75 138 138 A 24 GLN H A 24 GLN HBx 1.0 0.0 4.37 139 139 A 24 GLN H A 24 GLN HBy 1.0 0.0 4.63 140 140 A 24 GLN HG2 A 24 GLN H 1.0 0.0 4.19 141 141 A 24 GLN H A 25 PRO HDy 1.0 0.0 5.50 142 142 A 24 GLN H A 25 PRO HDx 1.0 0.0 5.50 143 143 A 25 PRO HA A 25 PRO HBy 1.0 0.0 3.57 144 144 A 25 PRO HA A 25 PRO HGy 1.0 0.0 4.63 145 145 A 25 PRO HA A 26 LEU H 1.0 0.0 3.89 146 146 A 25 PRO HA A 31 LYS HE2 1.0 0.0 5.50 147 147 A 25 PRO HBy A 26 LEU H 1.0 0.0 4.95 148 148 A 25 PRO HBy A 25 PRO HBx 1.0 0.0 3.28 149 149 A 25 PRO HDx A 25 PRO HBx 1.0 0.0 4.41 150 150 A 25 PRO HBx A 26 LEU HA 1.0 0.0 5.50 151 151 A 25 PRO HDy A 25 PRO HA 1.0 0.0 5.50 152 152 A 25 PRO HDy A 25 PRO HBy 1.0 0.0 4.64 153 153 A 25 PRO HDx A 25 PRO HA 1.0 0.0 5.50 154 154 A 25 PRO HDx A 25 PRO HBy 1.0 0.0 4.87 155 155 A 25 PRO HGx A 26 LEU H 1.0 0.0 5.50 156 156 A 26 LEU HA A 26 LEU HBy 1.0 0.0 4.65 157 157 A 26 LEU HA A 26 LEU HBx 1.0 0.0 4.74 158 158 A 26 LEU HDx% A 26 LEU HA 1.0 0.0 4.70 159 159 A 26 LEU HA A 26 LEU HDy% 1.0 0.0 3.58 160 160 A 26 LEU HA A 26 LEU HG 1.0 0.0 4.64 161 161 A 26 LEU HA A 27 SER H 1.0 0.0 4.27 162 162 A 26 LEU HDx% A 26 LEU HBy 1.0 0.0 3.89 163 163 A 26 LEU HBy A 26 LEU HDy% 1.0 0.0 4.20 164 164 A 26 LEU HBy A 27 SER H 1.0 0.0 5.50 165 165 A 26 LEU HBy A 30 GLU HBy 1.0 0.0 5.50 166 166 A 26 LEU HBy A 30 GLU HBx 1.0 0.0 5.50 167 167 A 26 LEU HBy A 30 GLU HGy 1.0 0.0 5.50 168 168 A 26 LEU HDx% A 26 LEU HBx 1.0 0.0 3.95 169 169 A 26 LEU HBx A 26 LEU HDy% 1.0 0.0 4.00 170 170 A 26 LEU HBx A 27 SER H 1.0 0.0 5.31 171 171 A 26 LEU HBx A 30 GLU HBy 1.0 0.0 5.50 172 172 A 26 LEU HBx A 30 GLU HBx 1.0 0.0 5.33 173 173 A 26 LEU HDx% A 30 GLU HBy 1.0 0.0 5.31 174 174 A 26 LEU HDx% A 30 GLU HBx 1.0 0.0 5.06 175 175 A 26 LEU HDx% A 30 GLU HGy 1.0 0.0 5.50 176 176 A 26 LEU HDx% A 31 LYS HA 1.0 0.0 5.04 177 177 A 26 LEU HDx% A 31 LYS HE2 1.0 0.0 5.50 178 178 A 26 LEU HDx% A 31 LYS HGx 1.0 0.0 4.71 179 179 A 26 LEU HDy% A 27 SER H 1.0 0.0 5.19 180 180 A 26 LEU HDy% A 30 GLU HA 1.0 0.0 5.50 181 181 A 26 LEU HDy% A 30 GLU HBy 1.0 0.0 4.77 182 182 A 26 LEU HDy% A 30 GLU HBx 1.0 0.0 4.53 183 183 A 26 LEU HDy% A 30 GLU HGx 1.0 0.0 4.91 184 184 A 26 LEU HDy% A 30 GLU HGy 1.0 0.0 4.89 185 185 A 26 LEU HDy% A 31 LYS HA 1.0 0.0 5.50 186 186 A 26 LEU HDy% A 31 LYS HD3 1.0 0.0 4.53 187 187 A 31 LYS HE2 A 26 LEU HDy% 1.0 0.0 4.98 188 188 A 26 LEU HDy% A 31 LYS HGx 1.0 0.0 4.94 189 189 A 26 LEU HDy% A 31 LYS H 1.0 0.0 5.50 190 190 A 26 LEU HDy% A 34 ILE HG12 1.0 0.0 4.87 191 191 A 26 LEU HDx% A 26 LEU HG 1.0 0.0 3.95 192 192 A 26 LEU HDy% A 26 LEU HG 1.0 0.0 3.78 193 193 A 26 LEU H A 26 LEU HA 1.0 0.0 5.14 194 194 A 26 LEU H A 26 LEU HBy 1.0 0.0 4.67 195 195 A 26 LEU H A 26 LEU HBx 1.0 0.0 5.32 196 196 A 26 LEU HDx% A 26 LEU H 1.0 0.0 5.09 197 197 A 26 LEU H A 26 LEU HDy% 1.0 0.0 4.89 198 198 A 26 LEU H A 26 LEU HG 1.0 0.0 4.61 199 199 A 26 LEU H A 27 SER H 1.0 0.0 5.50 200 200 A 27 SER HA A 27 SER HBy 1.0 0.0 4.59 201 201 A 27 SER HA A 27 SER HBx 1.0 0.0 4.27 202 202 A 27 SER HA A 28 ALA HB% 1.0 0.0 4.68 203 203 A 27 SER HA A 28 ALA H 1.0 0.0 4.22 204 204 A 27 SER HA A 29 GLU H 1.0 0.0 5.50 205 205 A 27 SER HA A 30 GLU H 1.0 0.0 5.50 206 206 A 27 SER HBy A 28 ALA HB% 1.0 0.0 5.50 207 207 A 27 SER HBy A 28 ALA H 1.0 0.0 5.00 208 208 A 27 SER HBy A 29 GLU HB2 1.0 0.0 5.50 209 209 A 27 SER HBy A 29 GLU H 1.0 0.0 5.27 210 210 A 30 GLU HBy A 27 SER HBy 1.0 0.0 5.50 211 211 A 30 GLU HGy A 27 SER HBy 1.0 0.0 5.50 212 212 A 27 SER HBy A 30 GLU H 1.0 0.0 5.50 213 213 A 27 SER HBx A 28 ALA HB% 1.0 0.0 5.50 214 214 A 27 SER HBx A 28 ALA H 1.0 0.0 5.37 215 215 A 27 SER HBx A 29 GLU HB2 1.0 0.0 5.50 216 216 A 27 SER HBx A 29 GLU H 1.0 0.0 5.50 217 217 A 30 GLU HGy A 27 SER HBx 1.0 0.0 5.50 218 218 A 27 SER HBx A 30 GLU H 1.0 0.0 5.50 219 219 A 27 SER H A 27 SER HA 1.0 0.0 4.87 220 220 A 27 SER H A 27 SER HBx 1.0 0.0 5.25 221 221 A 27 SER H A 30 GLU HBy 1.0 0.0 5.41 222 222 A 27 SER H A 30 GLU HBx 1.0 0.0 5.50 223 223 A 27 SER H A 30 GLU HGy 1.0 0.0 5.50 224 224 A 27 SER H A 30 GLU H 1.0 0.0 5.50 225 225 A 28 ALA HB% A 28 ALA HA 1.0 0.0 3.52 226 226 A 29 GLU H A 28 ALA HA 1.0 0.0 5.50 227 227 A 30 GLU H A 28 ALA HA 1.0 0.0 5.50 228 228 A 28 ALA HA A 31 LYS HBy 1.0 0.0 5.00 229 229 A 28 ALA HA A 31 LYS HBx 1.0 0.0 4.82 230 230 A 31 LYS HD3 A 28 ALA HA 1.0 0.0 4.74 231 231 A 31 LYS HE2 A 28 ALA HA 1.0 0.0 5.50 232 232 A 31 LYS H A 28 ALA HA 1.0 0.0 5.50 233 233 A 28 ALA HA A 32 LYS H 1.0 0.0 4.60 234 234 A 28 ALA HB% A 29 GLU H 1.0 0.0 4.48 235 235 A 28 ALA HB% A 30 GLU H 1.0 0.0 5.50 236 236 A 28 ALA HB% A 32 LYS HEx 1.0 0.0 5.50 237 237 A 28 ALA HB% A 32 LYS H 1.0 0.0 5.50 238 238 A 28 ALA H A 28 ALA HA 1.0 0.0 4.49 239 239 A 28 ALA HB% A 28 ALA H 1.0 0.0 4.15 240 240 A 28 ALA H A 29 GLU H 1.0 0.0 5.11 241 241 A 28 ALA H A 30 GLU H 1.0 0.0 5.50 242 242 A 32 LYS H A 28 ALA O 1.0 0.0 2.40 243 243 A 29 GLU HB2 A 29 GLU HA 1.0 0.0 3.95 244 244 A 29 GLU HA A 29 GLU HGy 1.0 0.0 4.13 245 245 A 30 GLU H A 29 GLU HA 1.0 0.0 4.73 246 246 A 29 GLU HA A 32 LYS HDy 1.0 0.0 4.26 247 247 A 30 GLU H A 29 GLU HB2 1.0 0.0 5.35 248 248 A 30 GLU H A 29 GLU HGx 1.0 0.0 5.43 249 249 A 29 GLU HGx A 32 LYS HEy 1.0 0.0 5.50 250 250 A 29 GLU H A 29 GLU HA 1.0 0.0 4.33 251 251 A 29 GLU H A 29 GLU HB2 1.0 0.0 4.26 252 252 A 29 GLU H A 29 GLU HGy 1.0 0.0 5.42 253 253 A 29 GLU H A 29 GLU HGx 1.0 0.0 5.27 254 254 A 29 GLU H A 30 GLU H 1.0 0.0 5.07 255 255 A 29 GLU H A 32 LYS H 1.0 0.0 5.50 256 256 A 29 GLU O A 33 GLU H 1.0 0.0 2.40 257 257 A 30 GLU HBx A 30 GLU HA 1.0 0.0 4.44 258 258 A 30 GLU HA A 30 GLU HGx 1.0 0.0 4.47 259 259 A 30 GLU HGy A 30 GLU HA 1.0 0.0 4.15 260 260 A 30 GLU HA A 31 LYS H 1.0 0.0 5.33 261 261 A 30 GLU HBy A 31 LYS H 1.0 0.0 5.48 262 262 A 30 GLU HBy A 30 GLU HBx 1.0 0.0 4.13 263 263 A 30 GLU HBx A 31 LYS H 1.0 0.0 5.50 264 264 A 30 GLU HBx A 34 ILE HD1% 1.0 0.0 4.84 265 265 A 30 GLU HBx A 34 ILE HG2% 1.0 0.0 5.22 266 266 A 30 GLU HGx A 34 ILE HD1% 1.0 0.0 5.07 267 267 A 30 GLU HGx A 34 ILE HG2% 1.0 0.0 5.24 268 268 A 30 GLU HGy A 31 LYS H 1.0 0.0 5.50 269 269 A 30 GLU HA A 30 GLU H 1.0 0.0 4.84 270 270 A 30 GLU HBy A 30 GLU H 1.0 0.0 4.85 271 271 A 30 GLU HBx A 30 GLU H 1.0 0.0 4.70 272 272 A 30 GLU HGy A 30 GLU H 1.0 0.0 5.06 273 273 A 31 LYS H A 30 GLU H 1.0 0.0 5.14 274 274 A 30 GLU O A 34 ILE H 1.0 0.0 2.40 275 275 A 31 LYS HA A 31 LYS HBy 1.0 0.0 4.77 276 276 A 31 LYS HA A 31 LYS HBx 1.0 0.0 4.42 277 277 A 31 LYS HA A 31 LYS HD3 1.0 0.0 5.05 278 278 A 31 LYS HE2 A 31 LYS HA 1.0 0.0 5.50 279 279 A 31 LYS HA A 31 LYS HGy 1.0 0.0 5.15 280 280 A 31 LYS HA A 31 LYS HGx 1.0 0.0 4.87 281 281 A 31 LYS HA A 32 LYS H 1.0 0.0 5.50 282 282 A 31 LYS HA A 33 GLU H 1.0 0.0 5.50 283 283 A 31 LYS HA A 34 ILE HB 1.0 0.0 5.18 284 284 A 31 LYS HA A 34 ILE HD1% 1.0 0.0 4.53 285 285 A 31 LYS HA A 34 ILE HG12 1.0 0.0 5.50 286 286 A 31 LYS HA A 34 ILE HG2% 1.0 0.0 4.47 287 287 A 31 LYS HA A 34 ILE H 1.0 0.0 5.50 288 288 A 31 LYS HA A 35 ASP H 1.0 0.0 5.50 289 289 A 31 LYS HBx A 32 LYS H 1.0 0.0 5.50 290 290 A 31 LYS HE2 A 31 LYS HD3 1.0 0.0 3.60 291 291 A 31 LYS HE2 A 31 LYS HGy 1.0 0.0 5.12 292 292 A 31 LYS HE2 A 31 LYS HGx 1.0 0.0 4.58 293 293 A 31 LYS HGx A 34 ILE HD1% 1.0 0.0 5.24 294 294 A 31 LYS HA A 31 LYS H 1.0 0.0 5.30 295 295 A 31 LYS H A 31 LYS HBx 1.0 0.0 4.68 296 296 A 31 LYS HD3 A 31 LYS H 1.0 0.0 5.39 297 297 A 31 LYS HE2 A 31 LYS H 1.0 0.0 5.50 298 298 A 31 LYS H A 31 LYS HGy 1.0 0.0 4.91 299 299 A 31 LYS HGx A 31 LYS H 1.0 0.0 5.40 300 300 A 31 LYS H A 32 LYS H 1.0 0.0 5.12 301 301 A 31 LYS H A 33 GLU H 1.0 0.0 5.50 302 302 A 31 LYS H A 34 ILE HD1% 1.0 0.0 5.50 303 303 A 35 ASP H A 31 LYS O 1.0 0.0 2.40 304 304 A 32 LYS HA A 32 LYS HB3 1.0 0.0 3.70 305 305 A 32 LYS HA A 32 LYS HDx 1.0 0.0 4.61 306 306 A 32 LYS HDy A 32 LYS HA 1.0 0.0 4.19 307 307 A 32 LYS HEx A 32 LYS HA 1.0 0.0 4.76 308 308 A 32 LYS HEy A 32 LYS HA 1.0 0.0 4.42 309 309 A 32 LYS HA A 32 LYS HGx 1.0 0.0 4.54 310 310 A 32 LYS HA A 32 LYS HGy 1.0 0.0 4.58 311 311 A 32 LYS HA A 35 ASP HBx 1.0 0.0 5.50 312 312 A 32 LYS HA A 35 ASP HBy 1.0 0.0 5.45 313 313 A 35 ASP H A 32 LYS HA 1.0 0.0 5.50 314 314 A 33 GLU H A 32 LYS HB3 1.0 0.0 4.78 315 315 A 32 LYS HDy A 32 LYS HEy 1.0 0.0 3.50 316 316 A 32 LYS HEy A 32 LYS HGx 1.0 0.0 4.60 317 317 A 33 GLU H A 32 LYS HGx 1.0 0.0 5.50 318 318 A 33 GLU H A 32 LYS HGy 1.0 0.0 5.50 319 319 A 32 LYS H A 32 LYS HA 1.0 0.0 4.65 320 320 A 32 LYS H A 32 LYS HB3 1.0 0.0 4.33 321 321 A 32 LYS H A 32 LYS HDx 1.0 0.0 5.10 322 322 A 32 LYS H A 32 LYS HDy 1.0 0.0 5.50 323 323 A 32 LYS H A 32 LYS HGx 1.0 0.0 5.50 324 324 A 32 LYS H A 32 LYS HGy 1.0 0.0 5.42 325 325 A 32 LYS H A 33 GLU H 1.0 0.0 5.14 326 326 A 32 LYS H A 35 ASP H 1.0 0.0 5.50 327 327 A 33 GLU HA A 33 GLU HGy 1.0 0.0 4.12 328 328 A 34 ILE H A 33 GLU HA 1.0 0.0 5.41 329 329 A 33 GLU HA A 36 LYS HGy 1.0 0.0 5.50 330 330 A 33 GLU HA A 36 LYS H 1.0 0.0 5.50 331 331 A 34 ILE H A 33 GLU HBy 1.0 0.0 5.50 332 332 A 34 ILE H A 33 GLU HBx 1.0 0.0 5.50 333 333 A 34 ILE H A 33 GLU HGy 1.0 0.0 5.50 334 334 A 33 GLU HGy A 36 LYS HD2 1.0 0.0 5.29 335 335 A 33 GLU H A 33 GLU HA 1.0 0.0 4.52 336 336 A 33 GLU H A 33 GLU HBy 1.0 0.0 5.20 337 337 A 33 GLU H A 33 GLU HBx 1.0 0.0 4.72 338 338 A 33 GLU H A 33 GLU HGy 1.0 0.0 4.82 339 339 A 33 GLU H A 34 ILE H 1.0 0.0 5.26 340 340 A 33 GLU H A 35 ASP H 1.0 0.0 5.50 341 341 A 34 ILE HB A 34 ILE HA 1.0 0.0 5.21 342 342 A 34 ILE HD1% A 34 ILE HA 1.0 0.0 5.13 343 343 A 34 ILE HA A 34 ILE HG13 1.0 0.0 5.16 344 344 A 34 ILE HG12 A 34 ILE HA 1.0 0.0 5.19 345 345 A 34 ILE HG2% A 34 ILE HA 1.0 0.0 4.52 346 346 A 35 ASP H A 34 ILE HA 1.0 0.0 5.50 347 347 A 34 ILE HA A 37 ARG HBy 1.0 0.0 5.50 348 348 A 34 ILE HA A 37 ARG HG2 1.0 0.0 5.50 349 349 A 34 ILE HA A 37 ARG HH11 1.0 0.0 5.50 350 350 A 34 ILE HA A 37 ARG H 1.0 0.0 5.50 351 351 A 34 ILE HD1% A 34 ILE HB 1.0 0.0 4.19 352 352 A 34 ILE HG12 A 34 ILE HB 1.0 0.0 5.45 353 353 A 34 ILE HB A 35 ASP H 1.0 0.0 5.09 354 354 A 34 ILE HD1% A 35 ASP H 1.0 0.0 5.50 355 355 A 34 ILE HD1% A 34 ILE HG13 1.0 0.0 4.14 356 356 A 34 ILE HG12 A 34 ILE HG13 1.0 0.0 4.79 357 357 A 34 ILE HG12 A 34 ILE HD1% 1.0 0.0 4.09 358 358 A 34 ILE HG2% A 34 ILE HB 1.0 0.0 4.24 359 359 A 34 ILE HG2% A 34 ILE HG13 1.0 0.0 4.68 360 360 A 34 ILE HG12 A 34 ILE HG2% 1.0 0.0 4.39 361 361 A 34 ILE HG2% A 35 ASP H 1.0 0.0 5.26 362 362 A 34 ILE HG2% A 37 ARG H 1.0 0.0 5.50 363 363 A 34 ILE H A 34 ILE HA 1.0 0.0 5.50 364 364 A 34 ILE H A 34 ILE HB 1.0 0.0 5.03 365 365 A 34 ILE HD1% A 34 ILE H 1.0 0.0 5.15 366 366 A 34 ILE H A 34 ILE HG13 1.0 0.0 5.50 367 367 A 34 ILE HG12 A 34 ILE H 1.0 0.0 5.50 368 368 A 34 ILE HG2% A 34 ILE H 1.0 0.0 5.00 369 369 A 34 ILE H A 35 ASP H 1.0 0.0 5.43 370 370 A 34 ILE H A 36 LYS H 1.0 0.0 5.50 371 371 A 35 ASP HBx A 35 ASP HA 1.0 0.0 5.42 372 372 A 35 ASP HBy A 35 ASP HA 1.0 0.0 5.21 373 373 A 35 ASP HA A 38 SER HBx 1.0 0.0 5.50 374 374 A 35 ASP HBx A 36 LYS H 1.0 0.0 5.50 375 375 A 35 ASP HBx A 35 ASP HBy 1.0 0.0 4.53 376 376 A 35 ASP HBy A 36 LYS H 1.0 0.0 5.50 377 377 A 35 ASP H A 35 ASP HA 1.0 0.0 5.50 378 378 A 35 ASP H A 35 ASP HBx 1.0 0.0 5.50 379 379 A 35 ASP H A 36 LYS H 1.0 0.0 5.40 380 380 A 35 ASP H A 37 ARG H 1.0 0.0 5.50 381 381 A 36 LYS HA A 36 LYS HBx 1.0 0.0 4.41 382 382 A 36 LYS HA A 36 LYS HBy 1.0 0.0 4.45 383 383 A 36 LYS HA A 36 LYS HGx 1.0 0.0 4.69 384 384 A 36 LYS HGy A 36 LYS HA 1.0 0.0 4.51 385 385 A 37 ARG H A 36 LYS HA 1.0 0.0 5.15 386 386 A 36 LYS HA A 38 SER H 1.0 0.0 5.50 387 387 A 36 LYS HA A 88 ARG HDx 1.0 0.0 5.50 388 388 A 36 LYS HA A 88 ARG HDy 1.0 0.0 5.50 389 389 A 36 LYS HBx A 36 LYS HE2 1.0 0.0 4.21 390 390 A 37 ARG H A 36 LYS HBx 1.0 0.0 5.50 391 391 A 36 LYS HBx A 88 ARG HDy 1.0 0.0 5.50 392 392 A 36 LYS HD2 A 36 LYS HBy 1.0 0.0 4.16 393 393 A 36 LYS HBy A 36 LYS HE2 1.0 0.0 5.50 394 394 A 37 ARG H A 36 LYS HBy 1.0 0.0 5.50 395 395 A 36 LYS HBy A 88 ARG HDx 1.0 0.0 5.50 396 396 A 36 LYS HGy A 36 LYS HE2 1.0 0.0 5.27 397 397 A 36 LYS HGy A 37 ARG H 1.0 0.0 5.50 398 398 A 36 LYS H A 36 LYS HA 1.0 0.0 5.03 399 399 A 36 LYS H A 36 LYS HBy 1.0 0.0 4.78 400 400 A 36 LYS H A 36 LYS HD2 1.0 0.0 5.43 401 401 A 36 LYS H A 36 LYS HGx 1.0 0.0 5.50 402 402 A 36 LYS HGy A 36 LYS H 1.0 0.0 5.50 403 403 A 36 LYS H A 37 ARG HA 1.0 0.0 5.50 404 404 A 36 LYS H A 37 ARG H 1.0 0.0 5.23 405 405 A 38 SER H A 37 ARG HA 1.0 0.0 5.50 406 406 A 37 ARG HA A 88 ARG HA 1.0 0.0 4.95 407 407 A 37 ARG HA A 91 VAL HGy% 1.0 0.0 5.50 408 408 A 37 ARG HBx A 37 ARG HD2 1.0 0.0 5.40 409 409 A 37 ARG HG2 A 37 ARG HBx 1.0 0.0 4.59 410 410 A 38 SER H A 37 ARG HBx 1.0 0.0 5.50 411 411 A 88 ARG HA A 37 ARG HBx 1.0 0.0 4.22 412 412 A 37 ARG HBy A 37 ARG HD2 1.0 0.0 5.11 413 413 A 37 ARG HBy A 37 ARG HG2 1.0 0.0 5.50 414 414 A 37 ARG HBy A 38 SER H 1.0 0.0 5.50 415 415 A 37 ARG HBy A 88 ARG HA 1.0 0.0 5.50 416 416 A 37 ARG HH11 A 37 ARG HD2 1.0 0.0 5.33 417 417 A 37 ARG HD2 A 86 ALA HA 1.0 0.0 5.50 418 418 A 37 ARG HG2 A 37 ARG HD2 1.0 0.0 5.13 419 419 A 37 ARG HG2 A 38 SER H 1.0 0.0 5.50 420 420 A 37 ARG HG2 A 87 GLU HA 1.0 0.0 5.50 421 421 A 37 ARG HG2 A 88 ARG HA 1.0 0.0 5.40 422 422 A 37 ARG H A 37 ARG HA 1.0 0.0 5.01 423 423 A 37 ARG H A 37 ARG HBx 1.0 0.0 4.86 424 424 A 37 ARG HBy A 37 ARG H 1.0 0.0 5.50 425 425 A 37 ARG H A 37 ARG HD2 1.0 0.0 4.67 426 426 A 37 ARG HG2 A 37 ARG H 1.0 0.0 5.38 427 427 A 37 ARG H A 88 ARG HA 1.0 0.0 5.50 428 428 A 37 ARG H A 88 ARG HG2 1.0 0.0 5.50 429 429 A 37 ARG H A 91 VAL HGx% 1.0 0.0 5.50 430 430 A 38 SER HA A 38 SER HBy 1.0 0.0 5.50 431 431 A 38 SER HBx A 38 SER HA 1.0 0.0 5.50 432 432 A 38 SER HA A 39 VAL H 1.0 0.0 5.34 433 433 A 38 SER HA A 84 GLU HA 1.0 0.0 5.42 434 434 A 38 SER HA A 84 GLU HBx 1.0 0.0 5.50 435 435 A 38 SER HA A 84 GLU HBy 1.0 0.0 5.50 436 436 A 38 SER HA A 85 PHE HD% 1.0 0.0 5.50 437 437 A 38 SER HA A 85 PHE H 1.0 0.0 5.50 438 438 A 91 VAL HGx% A 38 SER HA 1.0 0.0 5.50 439 439 A 38 SER HA A 112 LYS HBx 1.0 0.0 5.50 440 440 A 38 SER HBy A 39 VAL H 1.0 0.0 5.50 441 441 A 38 SER HBy A 112 LYS HBy 1.0 0.0 5.50 442 442 A 38 SER HBy A 112 LYS HBx 1.0 0.0 5.50 443 443 A 38 SER HBy A 112 LYS HEy 1.0 0.0 5.50 444 444 A 38 SER HBx A 38 SER HBy 1.0 0.0 5.50 445 445 A 38 SER HBx A 39 VAL H 1.0 0.0 5.50 446 446 A 38 SER HBx A 112 LYS HBy 1.0 0.0 5.50 447 447 A 38 SER HBx A 112 LYS HBx 1.0 0.0 5.50 448 448 A 38 SER HBx A 112 LYS HEy 1.0 0.0 5.50 449 449 A 38 SER H A 38 SER HA 1.0 0.0 5.50 450 450 A 38 SER H A 38 SER HBy 1.0 0.0 5.50 451 451 A 38 SER HBx A 38 SER H 1.0 0.0 5.50 452 452 A 38 SER H A 39 VAL H 1.0 0.0 5.50 453 453 A 38 SER H A 91 VAL HGx% 1.0 0.0 5.32 454 454 A 38 SER H A 91 VAL HGy% 1.0 0.0 5.50 455 455 A 39 VAL HA A 39 VAL HB 1.0 0.0 5.16 456 456 A 39 VAL HA A 39 VAL HGx% 1.0 0.0 4.52 457 457 A 39 VAL HA A 39 VAL HGy% 1.0 0.0 5.50 458 458 A 39 VAL HA A 40 TYR H 1.0 0.0 5.16 459 459 A 91 VAL HGy% A 39 VAL HA 1.0 0.0 5.50 460 460 A 39 VAL HA A 110 LEU H 1.0 0.0 5.50 461 461 A 39 VAL HA A 111 PRO HA 1.0 0.0 5.50 462 462 A 39 VAL HA A 111 PRO HBx 1.0 0.0 5.50 463 463 A 39 VAL HA A 111 PRO HBy 1.0 0.0 5.50 464 464 A 39 VAL HA A 112 LYS HA 1.0 0.0 5.50 465 465 A 112 LYS HBy A 39 VAL HA 1.0 0.0 5.50 466 466 A 112 LYS HBx A 39 VAL HA 1.0 0.0 5.50 467 467 A 39 VAL HA A 112 LYS H 1.0 0.0 5.50 468 468 A 39 VAL HB A 39 VAL HGx% 1.0 0.0 4.27 469 469 A 39 VAL HB A 39 VAL HGy% 1.0 0.0 4.71 470 470 A 39 VAL HB A 40 TYR H 1.0 0.0 5.49 471 471 A 39 VAL HB A 41 VAL HGy% 1.0 0.0 5.50 472 472 A 39 VAL HB A 110 LEU H 1.0 0.0 5.50 473 473 A 39 VAL HB A 112 LYS H 1.0 0.0 5.50 474 474 A 39 VAL HGx% A 40 TYR H 1.0 0.0 5.50 475 475 A 85 PHE HD% A 39 VAL HGx% 1.0 0.0 5.50 476 476 A 39 VAL HGx% A 85 PHE HE% 1.0 0.0 5.13 477 477 A 39 VAL HGx% A 85 PHE HZ 1.0 0.0 5.50 478 478 A 39 VAL HGx% A 91 VAL HA 1.0 0.0 4.92 479 479 A 39 VAL HGx% A 94 ALA HB% 1.0 0.0 4.15 480 480 A 39 VAL HGx% A 110 LEU H 1.0 0.0 5.50 481 481 A 39 VAL HGx% A 111 PRO HA 1.0 0.0 4.80 482 482 A 39 VAL HGx% A 111 PRO HBx 1.0 0.0 5.33 483 483 A 39 VAL HGx% A 111 PRO HBy 1.0 0.0 5.50 484 484 A 39 VAL HGx% A 112 LYS H 1.0 0.0 5.50 485 485 A 39 VAL HGx% A 39 VAL HGy% 1.0 0.0 3.95 486 486 A 39 VAL HGy% A 40 TYR H 1.0 0.0 5.50 487 487 A 39 VAL HGy% A 83 ILE HD1% 1.0 0.0 5.24 488 488 A 39 VAL HGy% A 83 ILE HG2% 1.0 0.0 5.37 489 489 A 39 VAL HGy% A 83 ILE H 1.0 0.0 5.50 490 490 A 85 PHE HD% A 39 VAL HGy% 1.0 0.0 5.50 491 491 A 39 VAL HGy% A 85 PHE HE% 1.0 0.0 5.04 492 492 A 39 VAL HGy% A 85 PHE HZ 1.0 0.0 5.50 493 493 A 39 VAL HGy% A 91 VAL HA 1.0 0.0 5.50 494 494 A 91 VAL HGx% A 39 VAL HGy% 1.0 0.0 4.54 495 495 A 39 VAL HGy% A 94 ALA HB% 1.0 0.0 4.76 496 496 A 39 VAL HGy% A 109 VAL HB 1.0 0.0 5.50 497 497 A 39 VAL HGy% A 110 LEU H 1.0 0.0 5.50 498 498 A 39 VAL HGy% A 111 PRO HA 1.0 0.0 5.50 499 499 A 39 VAL HGy% A 112 LYS H 1.0 0.0 5.50 500 500 A 39 VAL H A 39 VAL HA 1.0 0.0 5.50 501 501 A 39 VAL H A 39 VAL HB 1.0 0.0 5.50 502 502 A 39 VAL H A 39 VAL HGx% 1.0 0.0 5.50 503 503 A 39 VAL H A 39 VAL HGy% 1.0 0.0 5.29 504 504 A 39 VAL H A 83 ILE HB 1.0 0.0 5.50 505 505 A 39 VAL H A 83 ILE HG2% 1.0 0.0 5.50 506 506 A 39 VAL H A 83 ILE H 1.0 0.0 5.50 507 507 A 39 VAL H A 83 ILE O 1.0 0.0 2.40 508 508 A 39 VAL H A 84 GLU HA 1.0 0.0 5.50 509 509 A 39 VAL H A 85 PHE H 1.0 0.0 5.50 510 510 A 83 ILE H A 39 VAL O 1.0 0.0 2.40 511 511 A 40 TYR HA A 40 TYR HBy 1.0 0.0 5.50 512 512 A 40 TYR HA A 40 TYR HBx 1.0 0.0 5.50 513 513 A 40 TYR HA A 40 TYR HD% 1.0 0.0 5.50 514 514 A 40 TYR HA A 41 VAL H 1.0 0.0 5.00 515 515 A 40 TYR HA A 82 TYR HA 1.0 0.0 5.50 516 516 A 40 TYR HA A 82 TYR HD% 1.0 0.0 5.50 517 517 A 40 TYR HA A 82 TYR HE% 1.0 0.0 5.50 518 518 A 83 ILE H A 40 TYR HA 1.0 0.0 5.50 519 519 A 40 TYR HBx A 82 TYR HE% 1.0 0.0 5.50 520 520 A 40 TYR HBx A 110 LEU HDx% 1.0 0.0 5.50 521 521 A 40 TYR HBx B 21 GLY HAy 1.0 0.0 5.50 522 522 A 40 TYR HBy A 40 TYR HD% 1.0 0.0 5.50 523 523 A 40 TYR HBx A 40 TYR HD% 1.0 0.0 5.50 524 524 A 40 TYR HD% A 42 GLY H 1.0 0.0 5.50 525 525 A 40 TYR HD% A 110 LEU HDx% 1.0 0.0 5.05 526 526 A 40 TYR HD% A 110 LEU HDy% 1.0 0.0 5.50 527 527 A 40 TYR HD% A 110 LEU HG 1.0 0.0 5.50 528 528 A 42 GLY HAy A 40 TYR HE1 1.0 0.0 5.50 529 528 A 42 GLY HAy A 40 TYR HE2 1.0 0.0 5.50 530 529 A 42 GLY HAy A 40 TYR HE1 1.0 0.0 5.50 531 529 A 42 GLY HAy A 40 TYR HE2 1.0 0.0 5.50 532 530 A 42 GLY H A 40 TYR HE1 1.0 0.0 5.50 533 530 A 42 GLY H A 40 TYR HE2 1.0 0.0 5.50 534 531 A 80 TYR HBx A 40 TYR HE1 1.0 0.0 5.50 535 531 A 80 TYR HBx A 40 TYR HE2 1.0 0.0 5.50 536 532 A 80 TYR HBy A 40 TYR HE1 1.0 0.0 5.50 537 532 A 80 TYR HBy A 40 TYR HE2 1.0 0.0 5.50 538 533 A 108 LYS HB3 A 40 TYR HE1 1.0 0.0 5.50 539 533 A 108 LYS HB3 A 40 TYR HE2 1.0 0.0 5.50 540 534 A 108 LYS HD2 A 40 TYR HE1 1.0 0.0 5.50 541 534 A 108 LYS HD2 A 40 TYR HE2 1.0 0.0 5.50 542 535 A 108 LYS HGx A 40 TYR HE1 1.0 0.0 5.50 543 535 A 108 LYS HGx A 40 TYR HE2 1.0 0.0 5.50 544 536 A 108 LYS HGy A 40 TYR HE1 1.0 0.0 5.50 545 536 A 108 LYS HGy A 40 TYR HE2 1.0 0.0 5.50 546 537 A 110 LEU HDx% A 40 TYR HE1 1.0 0.0 5.30 547 537 A 110 LEU HDx% A 40 TYR HE2 1.0 0.0 5.30 548 538 A 110 LEU HDy% A 40 TYR HE1 1.0 0.0 5.50 549 538 A 110 LEU HDy% A 40 TYR HE2 1.0 0.0 5.50 550 539 A 110 LEU HG A 40 TYR HE1 1.0 0.0 5.50 551 539 A 110 LEU HG A 40 TYR HE2 1.0 0.0 5.50 552 540 B 21 GLY HAy A 40 TYR HE1 1.0 0.0 5.50 553 540 B 21 GLY HAy A 40 TYR HE2 1.0 0.0 5.50 554 541 B 22 PRO HBx A 40 TYR HE1 1.0 0.0 5.50 555 541 B 22 PRO HBx A 40 TYR HE2 1.0 0.0 5.50 556 542 B 22 PRO HDx A 40 TYR HE1 1.0 0.0 5.50 557 542 B 22 PRO HDx A 40 TYR HE2 1.0 0.0 5.50 558 543 B 22 PRO HGy A 40 TYR HE1 1.0 0.0 5.50 559 543 B 22 PRO HGy A 40 TYR HE2 1.0 0.0 5.50 560 544 B 23 PRO HDy A 40 TYR HE1 1.0 0.0 5.50 561 544 B 23 PRO HDy A 40 TYR HE2 1.0 0.0 5.50 562 545 B 23 PRO HDx A 40 TYR HE1 1.0 0.0 5.50 563 545 B 23 PRO HDx A 40 TYR HE2 1.0 0.0 5.50 564 546 A 40 TYR HE2 A 80 TYR HD% 1.0 0.0 5.50 565 547 A 40 TYR HE2 A 80 TYR HE% 1.0 0.0 5.50 566 548 A 40 TYR H A 40 TYR HA 1.0 0.0 5.50 567 549 A 40 TYR H A 40 TYR HBy 1.0 0.0 5.50 568 550 A 40 TYR H A 40 TYR HBx 1.0 0.0 5.50 569 551 A 40 TYR H A 40 TYR HD% 1.0 0.0 5.50 570 552 A 40 TYR H A 109 VAL HA 1.0 0.0 5.50 571 553 A 40 TYR H A 110 LEU H 1.0 0.0 5.50 572 554 A 40 TYR H A 110 LEU O 1.0 0.0 2.40 573 555 A 40 TYR H A 111 PRO HA 1.0 0.0 5.50 574 556 A 112 LYS HBy A 40 TYR H 1.0 0.0 5.50 575 557 A 40 TYR H A 112 LYS H 1.0 0.0 5.50 576 558 A 110 LEU H A 40 TYR O 1.0 0.0 2.40 577 559 A 41 VAL HA A 41 VAL HB 1.0 0.0 5.50 578 560 A 41 VAL HA A 41 VAL HGx% 1.0 0.0 4.52 579 561 A 41 VAL HGy% A 41 VAL HA 1.0 0.0 4.89 580 562 A 42 GLY H A 41 VAL HA 1.0 0.0 5.20 581 563 A 109 VAL HA A 41 VAL HA 1.0 0.0 5.50 582 564 A 41 VAL HA A 109 VAL HGx% 1.0 0.0 5.49 583 565 A 41 VAL HA A 109 VAL HGy% 1.0 0.0 5.50 584 566 A 110 LEU H A 41 VAL HA 1.0 0.0 5.50 585 567 A 41 VAL HB A 41 VAL HGx% 1.0 0.0 4.32 586 568 A 41 VAL HGy% A 41 VAL HB 1.0 0.0 4.30 587 569 A 41 VAL HB A 81 ALA HB% 1.0 0.0 4.81 588 570 A 41 VAL HB A 81 ALA H 1.0 0.0 5.50 589 571 A 82 TYR HD% A 41 VAL HB 1.0 0.0 5.50 590 572 A 41 VAL HGy% A 41 VAL HGx% 1.0 0.0 3.89 591 573 A 42 GLY H A 41 VAL HGx% 1.0 0.0 5.50 592 574 A 41 VAL HGx% A 53 LEU HDy% 1.0 0.0 4.33 593 575 A 41 VAL HGx% A 57 PHE HE1 1.0 0.0 5.12 594 576 A 83 ILE HD1% A 41 VAL HGx% 1.0 0.0 4.42 595 577 A 41 VAL HGx% A 107 ILE HB 1.0 0.0 4.78 596 578 A 41 VAL HGx% A 107 ILE HD1% 1.0 0.0 3.75 597 579 A 41 VAL HGx% A 107 ILE HG2% 1.0 0.0 4.73 598 580 A 41 VAL HGx% A 108 LYS H 1.0 0.0 5.50 599 581 A 109 VAL HA A 41 VAL HGx% 1.0 0.0 5.50 600 582 A 41 VAL HGx% A 109 VAL HGx% 1.0 0.0 4.46 601 583 A 41 VAL HGy% A 42 GLY H 1.0 0.0 5.50 602 584 A 41 VAL HGy% A 81 ALA HB% 1.0 0.0 4.33 603 585 A 41 VAL HGy% A 82 TYR HA 1.0 0.0 5.50 604 586 A 41 VAL HGy% A 83 ILE HB 1.0 0.0 5.50 605 587 A 41 VAL HGy% A 83 ILE HD1% 1.0 0.0 4.14 606 588 A 41 VAL HGy% A 83 ILE HG12 1.0 0.0 4.29 607 589 A 41 VAL HGy% A 107 ILE HB 1.0 0.0 5.50 608 590 A 41 VAL HGy% A 109 VAL HA 1.0 0.0 5.50 609 591 A 41 VAL HGy% A 109 VAL HGy% 1.0 0.0 4.65 610 592 A 110 LEU H A 41 VAL HGy% 1.0 0.0 5.50 611 593 A 41 VAL H A 41 VAL HA 1.0 0.0 5.50 612 594 A 41 VAL H A 41 VAL HB 1.0 0.0 5.50 613 595 A 41 VAL H A 41 VAL HGx% 1.0 0.0 5.50 614 596 A 41 VAL HGy% A 41 VAL H 1.0 0.0 5.17 615 597 A 41 VAL H A 42 GLY H 1.0 0.0 5.50 616 598 A 41 VAL H A 81 ALA HB% 1.0 0.0 5.50 617 599 A 41 VAL H A 81 ALA H 1.0 0.0 5.50 618 600 A 41 VAL H A 81 ALA O 1.0 0.0 2.40 619 601 A 41 VAL H A 82 TYR HA 1.0 0.0 5.50 620 602 A 41 VAL H A 82 TYR HD% 1.0 0.0 5.50 621 603 A 42 GLY HAy A 43 ASN HA 1.0 0.0 5.50 622 604 A 42 GLY HAy A 43 ASN H 1.0 0.0 5.50 623 605 A 42 GLY HAy A 43 ASN H 1.0 0.0 5.50 624 606 A 42 GLY HAy A 44 VAL HGx% 1.0 0.0 5.50 625 607 A 42 GLY HAy A 44 VAL H 1.0 0.0 5.50 626 608 A 42 GLY HAy A 80 TYR HA 1.0 0.0 5.50 627 609 A 42 GLY HAy A 80 TYR HBy 1.0 0.0 5.50 628 610 A 42 GLY HAy A 80 TYR HD% 1.0 0.0 5.50 629 611 A 42 GLY HAy A 80 TYR HD% 1.0 0.0 5.50 630 612 A 42 GLY HAy A 81 ALA H 1.0 0.0 5.50 631 613 A 42 GLY H A 42 GLY HAy 1.0 0.0 5.50 632 614 A 42 GLY H A 42 GLY HAy 1.0 0.0 5.50 633 615 A 42 GLY H A 43 ASN H 1.0 0.0 5.50 634 616 A 42 GLY H A 107 ILE HB 1.0 0.0 5.50 635 617 A 42 GLY H A 108 LYS HB3 1.0 0.0 5.50 636 618 A 42 GLY H A 108 LYS H 1.0 0.0 5.50 637 619 A 42 GLY H A 108 LYS O 1.0 0.0 2.40 638 620 A 42 GLY H A 109 VAL HA 1.0 0.0 5.50 639 621 A 108 LYS H A 42 GLY O 1.0 0.0 2.40 640 622 A 43 ASN HA A 43 ASN HBx 1.0 0.0 5.12 641 623 A 43 ASN HA A 43 ASN HBy 1.0 0.0 5.16 642 624 A 43 ASN HA A 43 ASN HD2y 1.0 0.0 5.50 643 625 A 43 ASN HA A 44 VAL HGx% 1.0 0.0 5.50 644 626 A 43 ASN HA A 44 VAL H 1.0 0.0 4.94 645 627 A 43 ASN HBx A 43 ASN HBy 1.0 0.0 4.26 646 628 A 43 ASN HBx A 43 ASN HD2y 1.0 0.0 5.41 647 629 A 43 ASN HBx A 43 ASN HD2x 1.0 0.0 5.50 648 630 A 44 VAL H A 43 ASN HBx 1.0 0.0 5.50 649 631 A 43 ASN HBx A 107 ILE HA 1.0 0.0 5.41 650 632 A 107 ILE HB A 43 ASN HBx 1.0 0.0 5.50 651 633 A 107 ILE HG2% A 43 ASN HBx 1.0 0.0 5.50 652 634 A 108 LYS H A 43 ASN HBx 1.0 0.0 5.50 653 635 A 43 ASN HBy A 43 ASN HD2y 1.0 0.0 5.21 654 636 A 43 ASN HBy A 43 ASN HD2x 1.0 0.0 5.47 655 637 A 43 ASN HBy A 107 ILE HA 1.0 0.0 5.15 656 638 A 107 ILE HB A 43 ASN HBy 1.0 0.0 5.50 657 639 A 107 ILE HG2% A 43 ASN HBy 1.0 0.0 5.50 658 640 A 108 LYS H A 43 ASN HBy 1.0 0.0 5.50 659 641 A 43 ASN HD2y A 105 ARG HBx 1.0 0.0 5.50 660 642 A 43 ASN HD2y A 105 ARG HBy 1.0 0.0 5.50 661 643 A 43 ASN HD2y A 105 ARG HDy 1.0 0.0 5.50 662 644 A 43 ASN HD2y A 105 ARG HDx 1.0 0.0 5.50 663 645 A 43 ASN HD2y A 105 ARG HGy 1.0 0.0 5.50 664 646 A 43 ASN HD2y A 106 THR HB 1.0 0.0 5.50 665 647 A 43 ASN HD2y A 106 THR HG2% 1.0 0.0 5.29 666 648 A 43 ASN HD2y A 106 THR H 1.0 0.0 5.50 667 649 A 43 ASN HD2y A 107 ILE HA 1.0 0.0 5.50 668 650 A 107 ILE HG2% A 43 ASN HD2y 1.0 0.0 5.50 669 651 A 108 LYS H A 43 ASN HD2y 1.0 0.0 5.50 670 652 A 43 ASN HD2x A 105 ARG HBx 1.0 0.0 5.50 671 653 A 43 ASN HD2x A 105 ARG HBy 1.0 0.0 5.50 672 654 A 43 ASN HD2x A 105 ARG HDy 1.0 0.0 5.50 673 655 A 43 ASN HD2x A 105 ARG HDx 1.0 0.0 5.50 674 656 A 43 ASN HD2x A 105 ARG HGy 1.0 0.0 5.50 675 657 A 43 ASN HD2x A 106 THR HB 1.0 0.0 5.50 676 658 A 43 ASN HD2x A 106 THR H 1.0 0.0 5.50 677 659 A 43 ASN HD2x A 107 ILE HA 1.0 0.0 5.50 678 660 A 107 ILE HG2% A 43 ASN HD2x 1.0 0.0 5.50 679 661 A 43 ASN HA A 43 ASN H 1.0 0.0 4.69 680 662 A 43 ASN H A 43 ASN HBx 1.0 0.0 5.50 681 663 A 43 ASN H A 43 ASN HBy 1.0 0.0 5.50 682 664 A 43 ASN H A 44 VAL H 1.0 0.0 5.28 683 665 A 43 ASN H A 80 TYR HA 1.0 0.0 5.50 684 666 A 80 TYR HBx A 43 ASN H 1.0 0.0 5.50 685 667 A 80 TYR HBy A 43 ASN H 1.0 0.0 5.50 686 668 A 80 TYR HD% A 43 ASN H 1.0 0.0 5.50 687 669 A 44 VAL HA A 44 VAL HB 1.0 0.0 5.43 688 670 A 44 VAL HGx% A 44 VAL HA 1.0 0.0 4.63 689 671 A 44 VAL HA A 44 VAL HGy% 1.0 0.0 4.83 690 672 A 44 VAL HA A 45 ASP HBy 1.0 0.0 5.50 691 673 A 44 VAL HA A 45 ASP H 1.0 0.0 5.01 692 674 A 44 VAL HA A 48 SER H 1.0 0.0 5.50 693 675 A 107 ILE HG2% A 44 VAL HA 1.0 0.0 5.50 694 676 A 44 VAL HGx% A 44 VAL HB 1.0 0.0 4.13 695 677 A 44 VAL HB A 44 VAL HGy% 1.0 0.0 4.10 696 678 A 44 VAL HB A 45 ASP H 1.0 0.0 5.50 697 679 A 44 VAL HB A 48 SER HB2 1.0 0.0 5.50 698 680 A 80 TYR HA A 44 VAL HB 1.0 0.0 5.50 699 681 A 44 VAL HGx% A 44 VAL HGy% 1.0 0.0 3.55 700 682 A 44 VAL HGx% A 45 ASP H 1.0 0.0 5.50 701 683 A 44 VAL HGx% A 48 SER HB2 1.0 0.0 5.50 702 684 A 44 VAL HGx% A 48 SER H 1.0 0.0 5.50 703 685 A 53 LEU HDy% A 44 VAL HGx% 1.0 0.0 4.52 704 686 A 44 VAL HGx% A 79 GLY H 1.0 0.0 5.50 705 687 A 44 VAL HGx% A 80 TYR HA 1.0 0.0 4.77 706 688 A 80 TYR HBx A 44 VAL HGx% 1.0 0.0 5.50 707 689 A 80 TYR HBy A 44 VAL HGx% 1.0 0.0 5.50 708 690 A 44 VAL HGx% A 80 TYR H 1.0 0.0 5.50 709 691 A 44 VAL HGx% A 81 ALA HA 1.0 0.0 5.41 710 692 A 81 ALA HB% A 44 VAL HGx% 1.0 0.0 4.20 711 693 A 81 ALA H A 44 VAL HGx% 1.0 0.0 5.50 712 694 A 44 VAL HGy% A 45 ASP HBy 1.0 0.0 5.50 713 695 A 44 VAL HGy% A 45 ASP H 1.0 0.0 5.20 714 696 A 44 VAL HGy% A 48 SER HB2 1.0 0.0 4.65 715 697 A 44 VAL HGy% A 48 SER H 1.0 0.0 5.50 716 698 A 53 LEU HDy% A 44 VAL HGy% 1.0 0.0 4.61 717 699 A 80 TYR HA A 44 VAL HGy% 1.0 0.0 5.50 718 700 A 44 VAL H A 44 VAL HA 1.0 0.0 5.50 719 701 A 44 VAL H A 44 VAL HB 1.0 0.0 5.01 720 702 A 44 VAL HGx% A 44 VAL H 1.0 0.0 4.60 721 703 A 44 VAL H A 44 VAL HGy% 1.0 0.0 4.98 722 704 A 44 VAL H A 80 TYR HA 1.0 0.0 5.50 723 705 A 81 ALA HB% A 44 VAL H 1.0 0.0 5.50 724 706 A 81 ALA H A 44 VAL H 1.0 0.0 5.50 725 707 A 107 ILE HG2% A 44 VAL H 1.0 0.0 5.50 726 708 A 45 ASP HA A 45 ASP HBx 1.0 0.0 5.22 727 709 A 45 ASP HBy A 45 ASP HA 1.0 0.0 5.10 728 710 A 45 ASP HA A 46 TYR H 1.0 0.0 4.63 729 711 A 45 ASP HBy A 45 ASP HBx 1.0 0.0 4.35 730 712 A 45 ASP HBx A 46 TYR H 1.0 0.0 5.50 731 713 A 45 ASP HBy A 46 TYR H 1.0 0.0 5.50 732 714 A 45 ASP H A 45 ASP HA 1.0 0.0 5.50 733 715 A 45 ASP H A 45 ASP HBx 1.0 0.0 5.50 734 716 A 45 ASP HBy A 45 ASP H 1.0 0.0 5.49 735 717 A 45 ASP H A 46 TYR H 1.0 0.0 5.50 736 718 A 45 ASP H A 48 SER HB2 1.0 0.0 5.50 737 719 A 105 ARG HDy A 45 ASP H 1.0 0.0 5.50 738 720 A 105 ARG HDx A 45 ASP H 1.0 0.0 5.50 739 721 A 46 TYR HA A 46 TYR HBx 1.0 0.0 5.05 740 722 A 46 TYR HA A 46 TYR HBy 1.0 0.0 4.98 741 723 A 46 TYR HA A 46 TYR HD% 1.0 0.0 5.43 742 724 A 46 TYR HA A 47 GLY H 1.0 0.0 5.32 743 725 A 46 TYR HA B 50 ALA HB1 1.0 0.0 5.50 744 726 A 46 TYR HBx A 47 GLY H 1.0 0.0 5.50 745 727 A 46 TYR HBx A 77 PRO HB2 1.0 0.0 5.50 746 728 A 46 TYR HBy A 47 GLY H 1.0 0.0 5.50 747 729 A 46 TYR HBy A 77 PRO HB2 1.0 0.0 5.50 748 730 A 46 TYR HBy A 46 TYR HD% 1.0 0.0 5.47 749 731 A 46 TYR HD% A 47 GLY H 1.0 0.0 5.50 750 732 A 46 TYR HD% A 70 CYS HB2 1.0 0.0 5.50 751 733 A 46 TYR HD% A 72 LYS HE2 1.0 0.0 5.50 752 734 A 46 TYR HD% A 77 PRO HB2 1.0 0.0 5.50 753 735 A 46 TYR HD% A 77 PRO HGx 1.0 0.0 5.50 754 736 A 46 TYR HD% A 77 PRO HGy 1.0 0.0 5.50 755 737 A 46 TYR HD% B 50 ALA HB1 1.0 0.0 5.50 756 738 A 46 TYR HD% B 51 GLN HA 1.0 0.0 5.50 757 739 A 46 TYR HD% B 51 GLN HGy 1.0 0.0 5.50 758 740 A 46 TYR HD% B 51 GLN HGx 1.0 0.0 5.50 759 741 A 46 TYR HD% B 51 GLN H 1.0 0.0 5.50 760 742 A 70 CYS HB2 A 46 TYR HE% 1.0 0.0 5.50 761 743 A 72 LYS HE2 A 46 TYR HE% 1.0 0.0 5.50 762 744 A 77 PRO HB2 A 46 TYR HE% 1.0 0.0 5.50 763 745 A 77 PRO HGx A 46 TYR HE% 1.0 0.0 5.50 764 746 A 77 PRO HGy A 46 TYR HE% 1.0 0.0 5.50 765 747 A 46 TYR HE% A 78 LYS H 1.0 0.0 5.50 766 748 B 50 ALA HB1 A 46 TYR HE% 1.0 0.0 5.50 767 749 B 51 GLN HA A 46 TYR HE% 1.0 0.0 5.50 768 750 A 46 TYR HE% B 51 GLN HBy 1.0 0.0 5.50 769 751 B 51 GLN H A 46 TYR HE% 1.0 0.0 5.50 770 752 A 46 TYR HE% B 54 GLU HGx 1.0 0.0 5.50 771 753 A 46 TYR HE% B 66 ILE HD11 1.0 0.0 5.50 772 754 A 46 TYR H A 46 TYR HBx 1.0 0.0 5.42 773 755 A 46 TYR H A 46 TYR HBy 1.0 0.0 5.37 774 756 A 46 TYR H A 46 TYR HD% 1.0 0.0 5.50 775 757 A 46 TYR H A 47 GLY H 1.0 0.0 5.50 776 758 A 48 SER H A 47 GLY HAy 1.0 0.0 5.50 777 759 A 47 GLY HAy A 49 THR HG2% 1.0 0.0 5.50 778 760 A 47 GLY HAy A 49 THR HG2% 1.0 0.0 5.50 779 761 A 47 GLY HAy A 103 ARG HH11 1.0 0.0 5.50 780 762 A 47 GLY HAy A 103 ARG HH11 1.0 0.0 5.50 781 763 A 47 GLY H A 47 GLY HAy 1.0 0.0 5.13 782 764 A 47 GLY H A 47 GLY HAy 1.0 0.0 5.45 783 765 A 48 SER H A 47 GLY H 1.0 0.0 5.34 784 766 A 48 SER HA A 49 THR H 1.0 0.0 4.78 785 767 A 48 SER HA A 103 ARG HDx 1.0 0.0 5.50 786 768 A 48 SER HB2 A 49 THR H 1.0 0.0 5.50 787 769 A 48 SER HB2 A 53 LEU HDx% 1.0 0.0 5.29 788 770 A 53 LEU HDy% A 48 SER HB2 1.0 0.0 5.50 789 771 A 48 SER HB2 A 103 ARG HDy 1.0 0.0 5.50 790 772 A 48 SER HB2 A 103 ARG HDx 1.0 0.0 5.50 791 773 A 48 SER H A 48 SER HA 1.0 0.0 5.46 792 774 A 48 SER H A 48 SER HB2 1.0 0.0 5.21 793 775 A 48 SER H A 49 THR H 1.0 0.0 5.50 794 776 A 49 THR HA A 50 ALA H 1.0 0.0 4.86 795 777 A 49 THR HA A 51 GLN H 1.0 0.0 5.50 796 778 A 53 LEU HDx% A 49 THR HB 1.0 0.0 5.50 797 779 A 49 THR HG2% A 50 ALA H 1.0 0.0 5.46 798 780 A 49 THR H A 49 THR HA 1.0 0.0 5.44 799 781 A 49 THR HG2% A 49 THR H 1.0 0.0 4.66 800 782 A 49 THR H A 53 LEU HDx% 1.0 0.0 5.50 801 783 A 49 THR H A 53 LEU H 1.0 0.0 5.50 802 784 A 51 GLN H A 50 ALA HA 1.0 0.0 5.50 803 785 A 50 ALA HA A 53 LEU HBy 1.0 0.0 5.24 804 786 A 53 LEU HDx% A 50 ALA HA 1.0 0.0 4.46 805 787 A 53 LEU HDy% A 50 ALA HA 1.0 0.0 5.50 806 788 A 53 LEU H A 50 ALA HA 1.0 0.0 5.50 807 789 A 50 ALA HA A 54 GLU H 1.0 0.0 5.50 808 790 A 50 ALA HA A 66 ILE HD1% 1.0 0.0 4.98 809 791 A 50 ALA HA A 66 ILE HG2% 1.0 0.0 4.90 810 792 A 50 ALA HA A 68 ILE HD1% 1.0 0.0 4.80 811 793 A 50 ALA HA A 50 ALA HB% 1.0 0.0 4.39 812 794 A 51 GLN H A 50 ALA HB% 1.0 0.0 5.50 813 795 A 50 ALA HB% A 66 ILE HB 1.0 0.0 5.46 814 796 A 66 ILE HD1% A 50 ALA HB% 1.0 0.0 4.44 815 797 A 66 ILE HG2% A 50 ALA HB% 1.0 0.0 4.47 816 798 A 68 ILE HD1% A 50 ALA HB% 1.0 0.0 4.68 817 799 A 50 ALA HB% B 46 TYR HA 1.0 0.0 5.50 818 800 A 50 ALA HB% B 46 TYR HD% 1.0 0.0 5.50 819 801 A 50 ALA HB% B 46 TYR HE% 1.0 0.0 5.50 820 802 A 50 ALA HB% B 68 ILE HD11 1.0 0.0 4.78 821 803 A 50 ALA HB% B 68 ILE HG21 1.0 0.0 4.76 822 804 A 50 ALA HB% B 70 CYS HBx 1.0 0.0 5.13 823 805 A 50 ALA H A 50 ALA HA 1.0 0.0 5.50 824 806 A 50 ALA H A 50 ALA HB% 1.0 0.0 5.20 825 807 A 50 ALA H A 51 GLN H 1.0 0.0 5.50 826 808 A 53 LEU HDx% A 50 ALA H 1.0 0.0 5.50 827 809 A 50 ALA H A 68 ILE HG2% 1.0 0.0 5.50 828 810 A 54 GLU H A 50 ALA O 1.0 0.0 2.40 829 811 A 51 GLN HA A 51 GLN HGx 1.0 0.0 4.57 830 812 A 51 GLN HA A 51 GLN HGy 1.0 0.0 5.06 831 813 A 51 GLN HA A 52 ASP H 1.0 0.0 5.50 832 814 A 51 GLN HA A 54 GLU HG2 1.0 0.0 5.50 833 815 A 54 GLU H A 51 GLN HA 1.0 0.0 5.50 834 816 A 51 GLN HA A 55 ALA HB% 1.0 0.0 5.50 835 817 A 51 GLN HA A 55 ALA H 1.0 0.0 5.50 836 818 B 46 TYR HD% A 51 GLN HA 1.0 0.0 5.50 837 819 B 46 TYR HE% A 51 GLN HA 1.0 0.0 5.50 838 820 A 52 ASP H A 51 GLN HBx 1.0 0.0 5.50 839 821 B 46 TYR HE% A 51 GLN HBx 1.0 0.0 5.50 840 822 B 46 TYR HD% A 51 GLN HGx 1.0 0.0 5.50 841 823 A 51 GLN HGy A 51 GLN HE2x 1.0 0.0 5.46 842 824 A 51 GLN HGy A 51 GLN HE2y 1.0 0.0 5.22 843 825 B 46 TYR HD% A 51 GLN HGy 1.0 0.0 5.50 844 826 A 51 GLN H A 51 GLN HA 1.0 0.0 5.50 845 827 A 51 GLN H A 51 GLN HBy 1.0 0.0 5.50 846 828 A 51 GLN H A 52 ASP H 1.0 0.0 5.50 847 829 A 51 GLN H A 54 GLU H 1.0 0.0 5.50 848 830 A 51 GLN H B 46 TYR HD% 1.0 0.0 5.50 849 831 A 51 GLN H B 46 TYR HE% 1.0 0.0 5.50 850 832 A 55 ALA H A 51 GLN O 1.0 0.0 2.40 851 833 A 53 LEU H A 52 ASP H 1.0 0.0 5.50 852 834 A 54 GLU H A 52 ASP H 1.0 0.0 5.50 853 835 A 52 ASP O A 56 HIS H 1.0 0.0 2.40 854 836 A 53 LEU HA A 53 LEU HBx 1.0 0.0 5.13 855 837 A 53 LEU HDx% A 53 LEU HA 1.0 0.0 5.43 856 838 A 53 LEU HDy% A 53 LEU HA 1.0 0.0 4.27 857 839 A 53 LEU HA A 53 LEU HG 1.0 0.0 5.06 858 840 A 53 LEU HA A 56 HIS HBy 1.0 0.0 5.50 859 841 A 53 LEU HA A 56 HIS HBx 1.0 0.0 5.50 860 842 A 56 HIS H A 53 LEU HA 1.0 0.0 5.50 861 843 A 53 LEU HA A 57 PHE H 1.0 0.0 5.50 862 844 A 83 ILE HD1% A 53 LEU HA 1.0 0.0 5.50 863 845 A 53 LEU HA A 102 PHE HE% 1.0 0.0 5.50 864 846 A 53 LEU HDx% A 53 LEU HBy 1.0 0.0 4.67 865 847 A 53 LEU HDy% A 53 LEU HBy 1.0 0.0 4.96 866 848 A 53 LEU HBy A 54 GLU H 1.0 0.0 5.50 867 849 A 53 LEU HBy A 66 ILE HD1% 1.0 0.0 5.50 868 850 A 53 LEU HBy A 68 ILE HD1% 1.0 0.0 5.50 869 851 A 53 LEU HBy A 68 ILE HG2% 1.0 0.0 5.50 870 852 A 83 ILE HD1% A 53 LEU HBy 1.0 0.0 5.50 871 853 A 53 LEU HBy A 53 LEU HBx 1.0 0.0 4.63 872 854 A 53 LEU HDx% A 53 LEU HBx 1.0 0.0 4.47 873 855 A 53 LEU HDy% A 53 LEU HBx 1.0 0.0 4.51 874 856 A 54 GLU H A 53 LEU HBx 1.0 0.0 5.50 875 857 A 66 ILE HD1% A 53 LEU HBx 1.0 0.0 5.36 876 858 A 68 ILE HG2% A 53 LEU HBx 1.0 0.0 5.50 877 859 A 83 ILE HD1% A 53 LEU HBx 1.0 0.0 5.11 878 860 A 53 LEU HDy% A 53 LEU HDx% 1.0 0.0 3.53 879 861 A 53 LEU HDx% A 54 GLU H 1.0 0.0 5.50 880 862 A 57 PHE HE1 A 53 LEU HDx% 1.0 0.0 5.50 881 863 A 53 LEU HDx% A 68 ILE HG12 1.0 0.0 4.23 882 864 A 81 ALA HA A 53 LEU HDx% 1.0 0.0 5.50 883 865 A 81 ALA HB% A 53 LEU HDx% 1.0 0.0 3.73 884 866 A 83 ILE HD1% A 53 LEU HDx% 1.0 0.0 4.91 885 867 A 53 LEU HDy% A 54 GLU H 1.0 0.0 5.50 886 868 A 53 LEU HDy% A 56 HIS HBy 1.0 0.0 5.50 887 869 A 53 LEU HDy% A 56 HIS H 1.0 0.0 5.50 888 870 A 53 LEU HDy% A 57 PHE HD1 1.0 0.0 5.50 889 871 A 53 LEU HDy% A 57 PHE HE1 1.0 0.0 4.80 890 872 A 53 LEU HDy% A 66 ILE HD1% 1.0 0.0 4.26 891 873 A 81 ALA HB% A 53 LEU HDy% 1.0 0.0 4.47 892 874 A 83 ILE HD1% A 53 LEU HDy% 1.0 0.0 4.59 893 875 A 53 LEU HDy% A 97 MET HE% 1.0 0.0 5.50 894 876 A 53 LEU HDx% A 53 LEU HG 1.0 0.0 4.16 895 877 A 53 LEU HDy% A 53 LEU HG 1.0 0.0 4.09 896 878 A 83 ILE HD1% A 53 LEU HG 1.0 0.0 5.09 897 879 A 53 LEU H A 53 LEU HA 1.0 0.0 5.32 898 880 A 53 LEU H A 53 LEU HBy 1.0 0.0 5.50 899 881 A 53 LEU H A 53 LEU HBx 1.0 0.0 5.50 900 882 A 53 LEU HDx% A 53 LEU H 1.0 0.0 5.50 901 883 A 53 LEU HDy% A 53 LEU H 1.0 0.0 5.50 902 884 A 53 LEU H A 53 LEU HG 1.0 0.0 5.49 903 885 A 53 LEU H A 54 GLU HBy 1.0 0.0 5.50 904 886 A 53 LEU H A 54 GLU H 1.0 0.0 5.50 905 887 A 53 LEU H A 55 ALA H 1.0 0.0 5.50 906 888 A 57 PHE H A 53 LEU O 1.0 0.0 2.40 907 889 A 54 GLU HBy A 54 GLU HA 1.0 0.0 4.47 908 890 A 54 GLU HG2 A 54 GLU HA 1.0 0.0 4.85 909 891 A 55 ALA H A 54 GLU HA 1.0 0.0 5.50 910 892 A 56 HIS H A 54 GLU HA 1.0 0.0 5.50 911 893 A 57 PHE H A 54 GLU HA 1.0 0.0 5.50 912 894 A 54 GLU HA A 63 ILE HD1% 1.0 0.0 4.44 913 895 A 54 GLU HA A 63 ILE HG2% 1.0 0.0 5.50 914 896 A 66 ILE HD1% A 54 GLU HA 1.0 0.0 4.89 915 897 A 83 ILE HD1% A 54 GLU HA 1.0 0.0 5.50 916 898 A 83 ILE HG2% A 54 GLU HA 1.0 0.0 5.50 917 899 A 66 ILE HD1% A 54 GLU HBx 1.0 0.0 4.87 918 900 A 55 ALA H A 54 GLU HBy 1.0 0.0 4.98 919 901 A 56 HIS H A 54 GLU HBy 1.0 0.0 5.50 920 902 A 66 ILE HD1% A 54 GLU HBy 1.0 0.0 5.50 921 903 A 54 GLU HG2 A 55 ALA H 1.0 0.0 5.50 922 904 A 54 GLU HG2 A 63 ILE HB 1.0 0.0 5.47 923 905 A 54 GLU HG2 A 63 ILE HD1% 1.0 0.0 4.46 924 906 A 54 GLU HG2 A 63 ILE HG2% 1.0 0.0 5.50 925 907 B 46 TYR HE% A 54 GLU HG2 1.0 0.0 5.50 926 908 A 54 GLU H A 54 GLU HA 1.0 0.0 5.44 927 909 A 54 GLU H A 54 GLU HBx 1.0 0.0 5.50 928 910 A 54 GLU H A 54 GLU HBy 1.0 0.0 5.04 929 911 A 54 GLU H A 54 GLU HG2 1.0 0.0 5.33 930 912 A 54 GLU H A 55 ALA HA 1.0 0.0 5.50 931 913 A 54 GLU H A 55 ALA HB% 1.0 0.0 5.50 932 914 A 54 GLU H A 55 ALA H 1.0 0.0 5.46 933 915 A 54 GLU H A 56 HIS H 1.0 0.0 5.50 934 916 A 54 GLU H A 66 ILE HD1% 1.0 0.0 5.15 935 917 A 54 GLU O A 58 SER H 1.0 0.0 2.40 936 918 A 55 ALA HB% A 55 ALA HA 1.0 0.0 3.80 937 919 A 56 HIS H A 55 ALA HA 1.0 0.0 5.50 938 920 A 57 PHE H A 55 ALA HA 1.0 0.0 5.50 939 921 A 55 ALA HA A 58 SER H 1.0 0.0 4.70 940 922 A 55 ALA HB% A 56 HIS H 1.0 0.0 4.96 941 923 A 55 ALA HB% A 57 PHE H 1.0 0.0 5.50 942 924 A 55 ALA HB% A 58 SER H 1.0 0.0 5.50 943 925 A 55 ALA H A 55 ALA HA 1.0 0.0 5.00 944 926 A 55 ALA HB% A 55 ALA H 1.0 0.0 4.29 945 927 A 55 ALA H A 56 HIS H 1.0 0.0 5.42 946 928 A 55 ALA O A 59 SER H 1.0 0.0 2.40 947 929 A 57 PHE H A 56 HIS HA 1.0 0.0 5.50 948 930 A 58 SER H A 56 HIS HA 1.0 0.0 5.50 949 931 A 56 HIS HBy A 56 HIS HBx 1.0 0.0 5.35 950 932 A 56 HIS HBy A 57 PHE H 1.0 0.0 5.50 951 933 A 56 HIS HBy A 102 PHE HD% 1.0 0.0 5.50 952 934 A 56 HIS HBy A 102 PHE HE% 1.0 0.0 5.50 953 935 A 56 HIS HBx A 57 PHE H 1.0 0.0 5.50 954 936 A 56 HIS HBx A 102 PHE HD% 1.0 0.0 5.50 955 937 A 56 HIS HBx A 102 PHE HE% 1.0 0.0 5.50 956 938 A 97 MET HE% A 56 HIS HD2 1.0 0.0 5.19 957 939 A 107 ILE HD1% A 56 HIS HD2 1.0 0.0 5.50 958 940 A 56 HIS H A 56 HIS HA 1.0 0.0 5.02 959 941 A 56 HIS H A 56 HIS HBy 1.0 0.0 5.11 960 942 A 56 HIS H A 56 HIS HBx 1.0 0.0 5.09 961 943 A 56 HIS H A 56 HIS HD2 1.0 0.0 5.50 962 944 A 56 HIS H A 57 PHE HA 1.0 0.0 5.50 963 945 A 57 PHE HA A 57 PHE HBy 1.0 0.0 5.50 964 946 A 57 PHE HA A 57 PHE HBx 1.0 0.0 5.50 965 947 A 57 PHE HD1 A 57 PHE HA 1.0 0.0 5.50 966 948 A 58 SER H A 57 PHE HA 1.0 0.0 5.50 967 949 A 63 ILE HD1% A 57 PHE HA 1.0 0.0 5.50 968 950 A 97 MET HE% A 57 PHE HA 1.0 0.0 4.46 969 951 A 57 PHE HD1 A 57 PHE HBy 1.0 0.0 5.50 970 952 A 63 ILE HD1% A 57 PHE HBy 1.0 0.0 5.50 971 953 A 83 ILE HD1% A 57 PHE HBy 1.0 0.0 5.50 972 954 A 83 ILE HG2% A 57 PHE HBy 1.0 0.0 5.50 973 955 A 85 PHE HE% A 57 PHE HBy 1.0 0.0 5.50 974 956 A 85 PHE HZ A 57 PHE HBy 1.0 0.0 5.50 975 957 A 57 PHE HD1 A 57 PHE HBx 1.0 0.0 5.50 976 958 A 58 SER H A 57 PHE HBx 1.0 0.0 5.50 977 959 A 59 SER H A 57 PHE HBx 1.0 0.0 5.50 978 960 A 63 ILE HD1% A 57 PHE HBx 1.0 0.0 5.27 979 961 A 83 ILE HD1% A 57 PHE HBx 1.0 0.0 5.50 980 962 A 83 ILE HD1% A 57 PHE HD1 1.0 0.0 5.50 981 963 A 94 ALA HB% A 57 PHE HD1 1.0 0.0 5.50 982 964 A 107 ILE HD1% A 57 PHE HD1 1.0 0.0 5.50 983 965 A 58 SER H A 57 PHE HD2 1.0 0.0 5.50 984 966 A 83 ILE HD1% A 57 PHE HE1 1.0 0.0 5.34 985 967 A 83 ILE HG2% A 57 PHE HE1 1.0 0.0 5.50 986 968 A 57 PHE HE1 A 97 MET HE% 1.0 0.0 5.43 987 969 A 57 PHE HE1 A 107 ILE HD1% 1.0 0.0 4.94 988 970 A 109 VAL HGx% A 57 PHE HE1 1.0 0.0 4.69 989 971 A 109 VAL HGy% A 57 PHE HE1 1.0 0.0 5.50 990 972 A 57 PHE H A 57 PHE HA 1.0 0.0 5.49 991 973 A 57 PHE H A 57 PHE HBy 1.0 0.0 5.50 992 974 A 57 PHE H A 57 PHE HBx 1.0 0.0 5.41 993 975 A 57 PHE H A 58 SER H 1.0 0.0 5.16 994 976 A 57 PHE H A 63 ILE HD1% 1.0 0.0 5.50 995 977 A 83 ILE HD1% A 57 PHE H 1.0 0.0 5.50 996 978 A 83 ILE HD1% A 57 PHE HZ 1.0 0.0 5.50 997 979 A 83 ILE HG2% A 57 PHE HZ 1.0 0.0 5.50 998 980 A 97 MET HE% A 57 PHE HZ 1.0 0.0 5.50 999 981 A 109 VAL HGx% A 57 PHE HZ 1.0 0.0 5.37 1000 982 A 58 SER HA A 60 CYS H 1.0 0.0 5.50 1001 983 A 58 SER HA A 61 GLY H 1.0 0.0 4.79 1002 984 A 58 SER H A 59 SER HB2 1.0 0.0 5.50 1003 985 A 58 SER H A 59 SER H 1.0 0.0 5.50 1004 986 A 63 ILE HD1% A 58 SER H 1.0 0.0 5.50 1005 987 A 59 SER HB2 A 59 SER HA 1.0 0.0 4.17 1006 988 A 60 CYS H A 59 SER HA 1.0 0.0 5.50 1007 989 A 61 GLY H A 59 SER HA 1.0 0.0 5.50 1008 990 A 97 MET HE% A 59 SER HB2 1.0 0.0 5.50 1009 991 A 59 SER H A 59 SER HA 1.0 0.0 4.99 1010 992 A 59 SER H A 59 SER HB2 1.0 0.0 5.50 1011 993 A 59 SER H A 60 CYS H 1.0 0.0 5.19 1012 994 A 59 SER H A 61 GLY H 1.0 0.0 5.50 1013 995 A 97 MET HE% A 59 SER H 1.0 0.0 5.50 1014 996 A 60 CYS HA A 60 CYS HBy 1.0 0.0 5.03 1015 997 A 60 CYS HA A 60 CYS HBx 1.0 0.0 4.88 1016 998 A 61 GLY H A 60 CYS HA 1.0 0.0 5.31 1017 999 A 61 GLY H A 60 CYS HBy 1.0 0.0 5.50 1018 1000 A 85 PHE HE% A 60 CYS HBy 1.0 0.0 5.50 1019 1001 A 85 PHE HZ A 60 CYS HBy 1.0 0.0 5.50 1020 1002 A 60 CYS HBy A 93 ALA HB% 1.0 0.0 5.47 1021 1003 A 94 ALA HB% A 60 CYS HBy 1.0 0.0 5.50 1022 1004 A 60 CYS HBy A 94 ALA H 1.0 0.0 5.50 1023 1005 A 60 CYS HBy A 60 CYS HBx 1.0 0.0 5.02 1024 1006 A 61 GLY H A 60 CYS HBx 1.0 0.0 5.50 1025 1007 A 85 PHE HE% A 60 CYS HBx 1.0 0.0 5.50 1026 1008 A 85 PHE HZ A 60 CYS HBx 1.0 0.0 5.50 1027 1009 A 94 ALA HB% A 60 CYS HBx 1.0 0.0 5.50 1028 1010 A 60 CYS H A 60 CYS HA 1.0 0.0 5.08 1029 1011 A 60 CYS H A 60 CYS HBy 1.0 0.0 5.25 1030 1012 A 60 CYS H A 60 CYS HBx 1.0 0.0 5.35 1031 1013 A 60 CYS H A 61 GLY HAy 1.0 0.0 5.50 1032 1014 A 60 CYS H A 61 GLY H 1.0 0.0 4.63 1033 1015 A 61 GLY HAy A 62 SER H 1.0 0.0 4.04 1034 1016 A 61 GLY HAy A 62 SER H 1.0 0.0 4.43 1035 1017 A 61 GLY H A 61 GLY HAy 1.0 0.0 4.76 1036 1018 A 61 GLY H A 61 GLY HAy 1.0 0.0 5.23 1037 1019 A 61 GLY H A 62 SER H 1.0 0.0 5.50 1038 1020 A 85 PHE HE% A 61 GLY H 1.0 0.0 5.50 1039 1021 A 62 SER HA A 62 SER HBy 1.0 0.0 4.44 1040 1022 A 62 SER HA A 63 ILE H 1.0 0.0 4.25 1041 1023 A 63 ILE H A 62 SER HBx 1.0 0.0 5.50 1042 1024 A 62 SER HBx A 86 ALA HB% 1.0 0.0 4.58 1043 1025 A 62 SER HBy A 63 ILE H 1.0 0.0 5.44 1044 1026 A 62 SER HBy A 86 ALA HB% 1.0 0.0 4.52 1045 1027 A 62 SER H A 62 SER HA 1.0 0.0 5.24 1046 1028 A 62 SER H A 62 SER HBx 1.0 0.0 4.83 1047 1029 A 62 SER H A 62 SER HBy 1.0 0.0 4.85 1048 1030 A 62 SER H A 63 ILE H 1.0 0.0 5.50 1049 1031 A 85 PHE HD% A 62 SER H 1.0 0.0 5.50 1050 1032 A 63 ILE HA A 63 ILE HG13 1.0 0.0 5.50 1051 1033 A 63 ILE HA A 63 ILE HG12 1.0 0.0 5.50 1052 1034 A 63 ILE HG2% A 63 ILE HA 1.0 0.0 5.48 1053 1035 A 63 ILE HA A 64 ASN H 1.0 0.0 5.50 1054 1036 A 63 ILE HA A 65 ARG H 1.0 0.0 5.50 1055 1037 A 63 ILE HA A 85 PHE HA 1.0 0.0 5.50 1056 1038 A 63 ILE HA A 85 PHE HBy 1.0 0.0 5.50 1057 1039 A 85 PHE HD% A 63 ILE HA 1.0 0.0 5.50 1058 1040 A 85 PHE H A 63 ILE HA 1.0 0.0 5.50 1059 1041 A 63 ILE HA A 86 ALA H 1.0 0.0 5.50 1060 1042 A 63 ILE HB A 63 ILE HG13 1.0 0.0 5.50 1061 1043 A 63 ILE HB A 63 ILE HG12 1.0 0.0 5.18 1062 1044 A 63 ILE HG2% A 63 ILE HB 1.0 0.0 4.44 1063 1045 A 63 ILE HB A 64 ASN HA 1.0 0.0 5.50 1064 1046 A 63 ILE HB A 64 ASN H 1.0 0.0 5.50 1065 1047 A 63 ILE HB A 65 ARG H 1.0 0.0 5.50 1066 1048 A 66 ILE HG2% A 63 ILE HB 1.0 0.0 4.10 1067 1049 A 83 ILE HG2% A 63 ILE HB 1.0 0.0 5.35 1068 1050 A 63 ILE HD1% A 65 ARG H 1.0 0.0 5.50 1069 1051 A 63 ILE HD1% A 83 ILE HA 1.0 0.0 5.50 1070 1052 A 83 ILE HD1% A 63 ILE HD1% 1.0 0.0 5.26 1071 1053 A 83 ILE HG2% A 63 ILE HD1% 1.0 0.0 4.45 1072 1054 A 63 ILE HD1% A 84 GLU H 1.0 0.0 5.50 1073 1055 A 85 PHE HD% A 63 ILE HD1% 1.0 0.0 5.50 1074 1056 A 85 PHE HE% A 63 ILE HD1% 1.0 0.0 5.34 1075 1057 A 85 PHE HZ A 63 ILE HD1% 1.0 0.0 5.50 1076 1058 A 63 ILE HD1% A 63 ILE HG13 1.0 0.0 4.79 1077 1059 A 63 ILE HG13 A 63 ILE HG12 1.0 0.0 5.33 1078 1060 A 63 ILE HG13 A 64 ASN H 1.0 0.0 5.50 1079 1061 A 83 ILE HG2% A 63 ILE HG13 1.0 0.0 5.50 1080 1062 A 85 PHE HD% A 63 ILE HG13 1.0 0.0 5.50 1081 1063 A 85 PHE HE% A 63 ILE HG13 1.0 0.0 5.50 1082 1064 A 63 ILE HD1% A 63 ILE HG12 1.0 0.0 4.67 1083 1065 A 63 ILE HG12 A 64 ASN H 1.0 0.0 5.50 1084 1066 A 83 ILE HG2% A 63 ILE HG12 1.0 0.0 5.50 1085 1067 A 63 ILE HD1% A 63 ILE HG2% 1.0 0.0 4.10 1086 1068 A 63 ILE HG2% A 63 ILE HG13 1.0 0.0 5.23 1087 1069 A 63 ILE HG2% A 63 ILE HG12 1.0 0.0 5.41 1088 1070 A 63 ILE HG2% A 64 ASN H 1.0 0.0 5.50 1089 1071 A 63 ILE HG2% A 65 ARG HA 1.0 0.0 5.50 1090 1072 A 63 ILE HG2% A 65 ARG H 1.0 0.0 5.50 1091 1073 A 63 ILE HG2% A 83 ILE HA 1.0 0.0 5.50 1092 1074 A 83 ILE HG2% A 63 ILE HG2% 1.0 0.0 4.43 1093 1075 A 63 ILE HG2% A 84 GLU H 1.0 0.0 5.50 1094 1076 A 63 ILE HG2% A 85 PHE HA 1.0 0.0 5.50 1095 1077 A 85 PHE HD% A 63 ILE HG2% 1.0 0.0 5.50 1096 1078 A 85 PHE HE% A 63 ILE HG2% 1.0 0.0 5.50 1097 1079 A 63 ILE HG2% A 86 ALA H 1.0 0.0 5.50 1098 1080 A 63 ILE HG2% B 72 LYS HEx 1.0 0.0 5.50 1099 1081 A 63 ILE H A 63 ILE HA 1.0 0.0 5.36 1100 1082 A 63 ILE HB A 63 ILE H 1.0 0.0 5.05 1101 1083 A 63 ILE HD1% A 63 ILE H 1.0 0.0 5.24 1102 1084 A 63 ILE H A 63 ILE HG13 1.0 0.0 5.50 1103 1085 A 63 ILE H A 63 ILE HG12 1.0 0.0 5.50 1104 1086 A 63 ILE HG2% A 63 ILE H 1.0 0.0 5.15 1105 1087 A 83 ILE HG2% A 63 ILE H 1.0 0.0 5.50 1106 1088 A 63 ILE H A 85 PHE HA 1.0 0.0 5.50 1107 1089 A 85 PHE HD% A 63 ILE H 1.0 0.0 5.50 1108 1090 A 64 ASN HA A 64 ASN HBy 1.0 0.0 5.50 1109 1091 A 65 ARG H A 64 ASN HA 1.0 0.0 5.50 1110 1092 A 64 ASN HBy A 64 ASN HD2y 1.0 0.0 5.50 1111 1093 A 64 ASN HBy A 64 ASN HD2x 1.0 0.0 5.50 1112 1094 A 65 ARG H A 64 ASN HBy 1.0 0.0 5.50 1113 1095 A 84 GLU HBx A 64 ASN HBy 1.0 0.0 5.50 1114 1096 A 84 GLU HBy A 64 ASN HBy 1.0 0.0 5.50 1115 1097 A 64 ASN HBy B 73 PHE HD% 1.0 0.0 5.50 1116 1098 A 64 ASN HD2y A 64 ASN HBx 1.0 0.0 5.50 1117 1099 A 64 ASN HD2x A 64 ASN HBx 1.0 0.0 5.50 1118 1100 A 65 ARG H A 64 ASN HBx 1.0 0.0 5.50 1119 1101 A 85 PHE HA A 64 ASN HBx 1.0 0.0 5.50 1120 1102 A 86 ALA HA A 64 ASN HBx 1.0 0.0 5.50 1121 1103 B 73 PHE HD% A 64 ASN HBx 1.0 0.0 5.50 1122 1104 A 86 ALA HA A 64 ASN HD2y 1.0 0.0 5.11 1123 1105 A 86 ALA HB% A 64 ASN HD2y 1.0 0.0 5.50 1124 1106 A 86 ALA HA A 64 ASN HD2x 1.0 0.0 4.74 1125 1107 A 86 ALA HB% A 64 ASN HD2x 1.0 0.0 5.50 1126 1108 A 64 ASN H A 64 ASN HA 1.0 0.0 5.50 1127 1109 A 64 ASN H A 64 ASN HBy 1.0 0.0 5.50 1128 1110 A 64 ASN H A 64 ASN HBx 1.0 0.0 5.50 1129 1111 A 64 ASN H A 65 ARG H 1.0 0.0 5.50 1130 1112 A 83 ILE HG2% A 64 ASN H 1.0 0.0 5.50 1131 1113 A 64 ASN H A 85 PHE HA 1.0 0.0 5.50 1132 1114 A 85 PHE HD% A 64 ASN H 1.0 0.0 5.50 1133 1115 A 85 PHE H A 64 ASN H 1.0 0.0 5.50 1134 1116 A 64 ASN H A 86 ALA H 1.0 0.0 5.50 1135 1117 A 65 ARG HA A 65 ARG HBx 1.0 0.0 5.09 1136 1118 A 65 ARG HA A 65 ARG HDx 1.0 0.0 5.50 1137 1119 A 65 ARG HA A 65 ARG HDy 1.0 0.0 5.50 1138 1120 A 65 ARG HA A 65 ARG HGy 1.0 0.0 5.50 1139 1121 A 65 ARG HA A 65 ARG HGx 1.0 0.0 5.50 1140 1122 A 65 ARG HA A 66 ILE H 1.0 0.0 4.98 1141 1123 B 70 CYS HBx A 65 ARG HA 1.0 0.0 5.50 1142 1124 A 65 ARG HA B 71 ASP HBy 1.0 0.0 5.50 1143 1125 A 65 ARG HA B 71 ASP HBx 1.0 0.0 5.50 1144 1126 A 65 ARG HA B 72 LYS H 1.0 0.0 5.50 1145 1127 A 65 ARG HBx A 65 ARG HDx 1.0 0.0 5.31 1146 1128 A 65 ARG HBx A 65 ARG HDy 1.0 0.0 5.50 1147 1129 A 65 ARG HBx A 65 ARG HE 1.0 0.0 5.50 1148 1130 A 65 ARG HBx A 65 ARG HGx 1.0 0.0 4.92 1149 1131 A 65 ARG HBx A 66 ILE H 1.0 0.0 5.50 1150 1132 B 73 PHE HD% A 65 ARG HBx 1.0 0.0 5.50 1151 1133 A 65 ARG HDx A 65 ARG HE 1.0 0.0 5.50 1152 1134 A 65 ARG HDx B 69 LEU HD11 1.0 0.0 5.24 1153 1135 A 65 ARG HDx B 71 ASP HBx 1.0 0.0 5.50 1154 1136 A 65 ARG HDy B 69 LEU HD11 1.0 0.0 5.50 1155 1137 A 65 ARG HE B 69 LEU HD11 1.0 0.0 5.50 1156 1138 B 71 ASP HBy A 65 ARG HE 1.0 0.0 5.50 1157 1139 A 65 ARG HE B 73 PHE HE% 1.0 0.0 5.50 1158 1140 A 65 ARG HE B 73 PHE H 1.0 0.0 5.50 1159 1141 A 65 ARG HDx A 65 ARG HGy 1.0 0.0 5.50 1160 1142 A 65 ARG HDy A 65 ARG HGy 1.0 0.0 5.50 1161 1143 A 65 ARG HGy A 65 ARG HE 1.0 0.0 5.50 1162 1144 A 65 ARG HGy A 66 ILE H 1.0 0.0 5.50 1163 1145 A 65 ARG HGy B 71 ASP HA 1.0 0.0 5.50 1164 1146 A 65 ARG HGy B 71 ASP HBy 1.0 0.0 5.50 1165 1147 A 65 ARG HGy B 71 ASP HBx 1.0 0.0 5.50 1166 1148 A 65 ARG HGy B 72 LYS H 1.0 0.0 5.50 1167 1149 B 73 PHE HD% A 65 ARG HGy 1.0 0.0 5.50 1168 1150 A 65 ARG HDy A 65 ARG HGx 1.0 0.0 5.50 1169 1151 A 65 ARG HGx A 65 ARG HE 1.0 0.0 5.50 1170 1152 A 65 ARG HGx A 66 ILE H 1.0 0.0 5.50 1171 1153 A 65 ARG HGx B 71 ASP HA 1.0 0.0 5.50 1172 1154 A 65 ARG HGx B 71 ASP HBy 1.0 0.0 5.50 1173 1155 A 65 ARG HGx B 71 ASP HBx 1.0 0.0 5.50 1174 1156 A 65 ARG HGx B 73 PHE HBy 1.0 0.0 5.50 1175 1157 A 65 ARG HGx B 73 PHE HBx 1.0 0.0 5.50 1176 1158 B 73 PHE HD% A 65 ARG HGx 1.0 0.0 5.50 1177 1159 A 65 ARG HGx B 73 PHE H 1.0 0.0 5.50 1178 1160 A 65 ARG H A 65 ARG HA 1.0 0.0 5.50 1179 1161 A 65 ARG H A 65 ARG HBx 1.0 0.0 5.50 1180 1162 A 65 ARG H A 65 ARG HGy 1.0 0.0 5.44 1181 1163 A 65 ARG H A 65 ARG HGx 1.0 0.0 5.50 1182 1164 A 65 ARG H A 83 ILE HA 1.0 0.0 5.50 1183 1165 A 83 ILE HG2% A 65 ARG H 1.0 0.0 5.50 1184 1166 A 84 GLU HBx A 65 ARG H 1.0 0.0 5.50 1185 1167 A 84 GLU HBy A 65 ARG H 1.0 0.0 5.50 1186 1168 A 65 ARG H A 84 GLU H 1.0 0.0 5.50 1187 1169 A 65 ARG H A 85 PHE HA 1.0 0.0 5.50 1188 1170 A 84 GLU H A 65 ARG O 1.0 0.0 2.40 1189 1171 A 66 ILE HB A 66 ILE HA 1.0 0.0 5.50 1190 1172 A 66 ILE HD1% A 66 ILE HA 1.0 0.0 5.35 1191 1173 A 66 ILE HA A 66 ILE HG13 1.0 0.0 4.73 1192 1174 A 66 ILE HA A 66 ILE HG12 1.0 0.0 5.50 1193 1175 A 66 ILE HG2% A 66 ILE HA 1.0 0.0 5.17 1194 1176 A 66 ILE HA A 67 THR H 1.0 0.0 4.78 1195 1177 A 83 ILE HA A 66 ILE HA 1.0 0.0 5.50 1196 1178 A 83 ILE HD1% A 66 ILE HA 1.0 0.0 5.50 1197 1179 A 83 ILE HG2% A 66 ILE HA 1.0 0.0 5.50 1198 1180 A 84 GLU H A 66 ILE HA 1.0 0.0 5.50 1199 1181 A 66 ILE HD1% A 66 ILE HB 1.0 0.0 4.47 1200 1182 A 66 ILE HB B 70 CYS HBx 1.0 0.0 5.29 1201 1183 A 83 ILE HD1% A 66 ILE HD1% 1.0 0.0 5.05 1202 1184 A 83 ILE HG2% A 66 ILE HD1% 1.0 0.0 4.87 1203 1185 A 66 ILE HD1% B 46 TYR HE% 1.0 0.0 5.50 1204 1186 A 66 ILE HD1% B 70 CYS HBx 1.0 0.0 5.50 1205 1187 A 66 ILE HD1% A 66 ILE HG13 1.0 0.0 4.02 1206 1188 A 66 ILE HG13 A 67 THR H 1.0 0.0 5.50 1207 1189 A 83 ILE HA A 66 ILE HG13 1.0 0.0 5.50 1208 1190 A 83 ILE HD1% A 66 ILE HG13 1.0 0.0 5.50 1209 1191 A 83 ILE HG2% A 66 ILE HG13 1.0 0.0 5.50 1210 1192 A 66 ILE HG13 A 66 ILE HG12 1.0 0.0 4.05 1211 1193 A 66 ILE HG12 A 67 THR H 1.0 0.0 5.50 1212 1194 A 66 ILE HG12 A 68 ILE HG13 1.0 0.0 5.25 1213 1195 A 83 ILE HA A 66 ILE HG12 1.0 0.0 5.50 1214 1196 A 83 ILE HD1% A 66 ILE HG12 1.0 0.0 5.50 1215 1197 A 83 ILE HG2% A 66 ILE HG12 1.0 0.0 5.50 1216 1198 A 66 ILE HG2% A 66 ILE HB 1.0 0.0 4.72 1217 1199 A 66 ILE HG2% A 67 THR H 1.0 0.0 5.24 1218 1200 A 83 ILE HB A 66 ILE HG2% 1.0 0.0 5.50 1219 1201 A 83 ILE HD1% A 66 ILE HG2% 1.0 0.0 5.50 1220 1202 A 83 ILE HG2% A 66 ILE HG2% 1.0 0.0 5.50 1221 1203 A 66 ILE HG2% B 70 CYS HBx 1.0 0.0 5.50 1222 1204 A 66 ILE H A 66 ILE HA 1.0 0.0 5.50 1223 1205 A 66 ILE HB A 66 ILE H 1.0 0.0 5.50 1224 1206 A 66 ILE HD1% A 66 ILE H 1.0 0.0 5.50 1225 1207 A 66 ILE H A 66 ILE HG13 1.0 0.0 5.50 1226 1208 A 66 ILE H A 66 ILE HG12 1.0 0.0 5.50 1227 1209 A 66 ILE H B 69 LEU HD11 1.0 0.0 5.50 1228 1210 B 70 CYS HBx A 66 ILE H 1.0 0.0 5.50 1229 1211 A 66 ILE H B 71 ASP HA 1.0 0.0 5.50 1230 1212 A 67 THR HA A 67 THR HB 1.0 0.0 5.50 1231 1213 A 67 THR HA A 67 THR HG2% 1.0 0.0 4.55 1232 1214 A 67 THR HA A 68 ILE H 1.0 0.0 4.99 1233 1215 B 68 ILE HD11 A 67 THR HA 1.0 0.0 5.50 1234 1216 A 67 THR HA B 69 LEU HA 1.0 0.0 5.46 1235 1217 A 67 THR HA B 69 LEU HBy 1.0 0.0 5.50 1236 1218 B 69 LEU HD11 A 67 THR HA 1.0 0.0 5.34 1237 1219 A 67 THR HA B 69 LEU HD21 1.0 0.0 4.77 1238 1220 A 67 THR HA B 70 CYS H 1.0 0.0 5.50 1239 1221 A 67 THR HB A 68 ILE H 1.0 0.0 5.50 1240 1222 A 67 THR HB A 82 TYR HBx 1.0 0.0 5.50 1241 1223 A 67 THR HB A 82 TYR HBy 1.0 0.0 5.50 1242 1224 A 82 TYR HD% A 67 THR HB 1.0 0.0 5.50 1243 1225 A 67 THR HB A 82 TYR H 1.0 0.0 5.50 1244 1226 A 67 THR HB B 69 LEU HD21 1.0 0.0 5.50 1245 1227 A 67 THR HB A 67 THR HG2% 1.0 0.0 5.05 1246 1228 A 67 THR HG2% A 82 TYR HBx 1.0 0.0 5.50 1247 1229 A 82 TYR HD% A 67 THR HG2% 1.0 0.0 5.50 1248 1230 A 82 TYR HE% A 67 THR HG2% 1.0 0.0 5.36 1249 1231 A 67 THR HG2% B 69 LEU HA 1.0 0.0 5.27 1250 1232 B 69 LEU HD11 A 67 THR HG2% 1.0 0.0 3.90 1251 1233 A 67 THR HG2% B 69 LEU HD21 1.0 0.0 3.93 1252 1234 A 67 THR H A 67 THR HA 1.0 0.0 5.50 1253 1235 A 67 THR H A 67 THR HB 1.0 0.0 5.50 1254 1236 A 67 THR H A 82 TYR HBx 1.0 0.0 5.50 1255 1237 A 67 THR H A 82 TYR HBy 1.0 0.0 5.50 1256 1238 A 82 TYR HD% A 67 THR H 1.0 0.0 5.50 1257 1239 A 67 THR H A 82 TYR H 1.0 0.0 5.50 1258 1240 A 67 THR H A 82 TYR O 1.0 0.0 2.40 1259 1241 A 84 GLU H A 67 THR H 1.0 0.0 5.50 1260 1242 A 67 THR H B 69 LEU HBy 1.0 0.0 5.50 1261 1243 A 67 THR H B 69 LEU HBx 1.0 0.0 5.50 1262 1244 A 82 TYR H A 67 THR O 1.0 0.0 2.40 1263 1245 A 68 ILE HA A 68 ILE HB 1.0 0.0 5.50 1264 1246 A 68 ILE HD1% A 68 ILE HA 1.0 0.0 5.34 1265 1247 A 68 ILE HG13 A 68 ILE HA 1.0 0.0 5.50 1266 1248 A 68 ILE HG12 A 68 ILE HA 1.0 0.0 5.50 1267 1249 A 68 ILE HG2% A 68 ILE HA 1.0 0.0 4.78 1268 1250 A 68 ILE HA A 69 LEU H 1.0 0.0 5.05 1269 1251 A 80 TYR H A 68 ILE HA 1.0 0.0 5.50 1270 1252 A 81 ALA HA A 68 ILE HA 1.0 0.0 5.43 1271 1253 A 81 ALA HB% A 68 ILE HA 1.0 0.0 5.02 1272 1254 A 82 TYR H A 68 ILE HA 1.0 0.0 5.50 1273 1255 A 68 ILE HD1% A 68 ILE HB 1.0 0.0 4.42 1274 1256 A 68 ILE HG12 A 68 ILE HB 1.0 0.0 5.18 1275 1257 A 68 ILE HB A 69 LEU H 1.0 0.0 5.50 1276 1258 A 81 ALA HA A 68 ILE HB 1.0 0.0 5.50 1277 1259 A 68 ILE HD1% A 68 ILE HG13 1.0 0.0 4.35 1278 1260 A 68 ILE HD1% A 69 LEU H 1.0 0.0 5.23 1279 1261 A 81 ALA HB% A 68 ILE HD1% 1.0 0.0 4.95 1280 1262 B 50 ALA HB1 A 68 ILE HD1% 1.0 0.0 4.78 1281 1263 A 68 ILE HD1% B 67 THR HA 1.0 0.0 5.50 1282 1264 A 68 ILE HG13 A 69 LEU H 1.0 0.0 5.50 1283 1265 A 81 ALA HA A 68 ILE HG13 1.0 0.0 5.50 1284 1266 A 81 ALA HB% A 68 ILE HG13 1.0 0.0 5.50 1285 1267 A 68 ILE HD1% A 68 ILE HG12 1.0 0.0 4.15 1286 1268 A 68 ILE HG12 A 68 ILE HG13 1.0 0.0 4.89 1287 1269 A 68 ILE HG12 A 69 LEU H 1.0 0.0 5.50 1288 1270 A 81 ALA HB% A 68 ILE HG12 1.0 0.0 5.50 1289 1271 A 68 ILE HG2% A 68 ILE HG13 1.0 0.0 5.05 1290 1272 A 68 ILE HG2% A 68 ILE HG12 1.0 0.0 4.09 1291 1273 A 68 ILE HG2% A 69 LEU H 1.0 0.0 4.89 1292 1274 A 70 CYS HB2 A 68 ILE HG2% 1.0 0.0 5.50 1293 1275 A 80 TYR HA A 68 ILE HG2% 1.0 0.0 5.50 1294 1276 A 80 TYR H A 68 ILE HG2% 1.0 0.0 5.50 1295 1277 A 81 ALA HA A 68 ILE HG2% 1.0 0.0 5.38 1296 1278 A 81 ALA HB% A 68 ILE HG2% 1.0 0.0 4.05 1297 1279 A 81 ALA H A 68 ILE HG2% 1.0 0.0 5.50 1298 1280 A 68 ILE HG2% A 82 TYR H 1.0 0.0 5.50 1299 1281 B 50 ALA HB1 A 68 ILE HG2% 1.0 0.0 4.76 1300 1282 A 68 ILE H A 68 ILE HA 1.0 0.0 5.50 1301 1283 A 68 ILE H A 68 ILE HB 1.0 0.0 5.44 1302 1284 A 68 ILE HD1% A 68 ILE H 1.0 0.0 5.15 1303 1285 A 68 ILE HG13 A 68 ILE H 1.0 0.0 5.50 1304 1286 A 68 ILE HG12 A 68 ILE H 1.0 0.0 5.50 1305 1287 A 68 ILE HG2% A 68 ILE H 1.0 0.0 5.14 1306 1288 A 68 ILE H A 69 LEU H 1.0 0.0 5.50 1307 1289 A 68 ILE H B 69 LEU HA 1.0 0.0 5.50 1308 1290 A 68 ILE H B 70 CYS H 1.0 0.0 5.50 1309 1291 A 69 LEU HA A 69 LEU HBx 1.0 0.0 5.50 1310 1292 A 69 LEU HA A 69 LEU HBy 1.0 0.0 5.19 1311 1293 A 69 LEU HA A 69 LEU HD1% 1.0 0.0 5.07 1312 1294 A 69 LEU HA A 69 LEU HD2% 1.0 0.0 5.25 1313 1295 A 69 LEU HA A 69 LEU HG 1.0 0.0 5.40 1314 1296 A 69 LEU HA A 70 CYS H 1.0 0.0 4.96 1315 1297 B 67 THR HA A 69 LEU HA 1.0 0.0 5.46 1316 1298 A 69 LEU HA B 67 THR HG21 1.0 0.0 5.27 1317 1299 A 69 LEU HA B 68 ILE H 1.0 0.0 5.50 1318 1300 A 69 LEU HBx A 69 LEU HD1% 1.0 0.0 5.41 1319 1301 A 69 LEU HBx A 69 LEU HD2% 1.0 0.0 5.40 1320 1302 A 69 LEU HBx A 69 LEU HG 1.0 0.0 5.50 1321 1303 A 69 LEU HBx A 70 CYS H 1.0 0.0 5.50 1322 1304 B 67 THR HA A 69 LEU HBx 1.0 0.0 5.50 1323 1305 A 69 LEU HBx B 67 THR H 1.0 0.0 5.50 1324 1306 A 69 LEU HBy A 69 LEU HD1% 1.0 0.0 3.68 1325 1307 A 69 LEU HBy A 69 LEU HD2% 1.0 0.0 3.84 1326 1308 A 69 LEU HBy A 69 LEU HG 1.0 0.0 4.35 1327 1309 A 69 LEU HBy A 70 CYS H 1.0 0.0 5.50 1328 1310 A 69 LEU HBy B 67 THR H 1.0 0.0 5.50 1329 1311 A 69 LEU HD1% A 70 CYS H 1.0 0.0 5.50 1330 1312 A 80 TYR HE% A 69 LEU HD1% 1.0 0.0 4.69 1331 1313 A 82 TYR HE% A 69 LEU HD1% 1.0 0.0 5.09 1332 1314 A 69 LEU HD1% B 65 ARG HDy 1.0 0.0 5.24 1333 1315 A 69 LEU HD1% B 65 ARG HDx 1.0 0.0 5.50 1334 1316 A 69 LEU HD1% B 65 ARG HE 1.0 0.0 5.50 1335 1317 A 69 LEU HD1% B 66 ILE H 1.0 0.0 5.50 1336 1318 B 67 THR HA A 69 LEU HD1% 1.0 0.0 5.34 1337 1319 A 69 LEU HD1% B 67 THR HG21 1.0 0.0 3.90 1338 1320 A 69 LEU HD1% A 69 LEU HD2% 1.0 0.0 3.63 1339 1321 A 69 LEU HD2% A 70 CYS H 1.0 0.0 5.50 1340 1322 A 80 TYR HE% A 69 LEU HD2% 1.0 0.0 4.76 1341 1323 A 81 ALA H A 69 LEU HD2% 1.0 0.0 5.50 1342 1324 A 82 TYR HBx A 69 LEU HD2% 1.0 0.0 5.50 1343 1325 A 82 TYR HBy A 69 LEU HD2% 1.0 0.0 5.50 1344 1326 A 82 TYR HD% A 69 LEU HD2% 1.0 0.0 5.30 1345 1327 A 82 TYR HE% A 69 LEU HD2% 1.0 0.0 4.93 1346 1328 B 67 THR HA A 69 LEU HD2% 1.0 0.0 4.77 1347 1329 A 69 LEU HD2% B 67 THR HB 1.0 0.0 5.50 1348 1330 A 69 LEU HD2% B 67 THR HG21 1.0 0.0 3.93 1349 1331 A 69 LEU HD1% A 69 LEU HG 1.0 0.0 3.99 1350 1332 A 69 LEU HD2% A 69 LEU HG 1.0 0.0 4.14 1351 1333 A 69 LEU H A 69 LEU HA 1.0 0.0 5.50 1352 1334 A 69 LEU H A 69 LEU HBx 1.0 0.0 5.50 1353 1335 A 69 LEU H A 69 LEU HBy 1.0 0.0 5.50 1354 1336 A 69 LEU H A 69 LEU HD1% 1.0 0.0 5.49 1355 1337 A 69 LEU H A 69 LEU HD2% 1.0 0.0 4.84 1356 1338 A 69 LEU H A 69 LEU HG 1.0 0.0 5.50 1357 1339 A 69 LEU H A 70 CYS H 1.0 0.0 5.50 1358 1340 A 80 TYR H A 69 LEU H 1.0 0.0 5.50 1359 1341 A 69 LEU H A 80 TYR O 1.0 0.0 2.40 1360 1342 A 81 ALA HA A 69 LEU H 1.0 0.0 5.50 1361 1343 A 80 TYR H A 69 LEU O 1.0 0.0 2.40 1362 1344 A 70 CYS HB2 A 70 CYS HA 1.0 0.0 5.06 1363 1345 A 70 CYS HA A 71 ASP H 1.0 0.0 4.86 1364 1346 A 70 CYS HA A 79 GLY HAy 1.0 0.0 5.50 1365 1347 A 70 CYS HA A 79 GLY HAy 1.0 0.0 5.50 1366 1348 A 79 GLY H A 70 CYS HA 1.0 0.0 5.50 1367 1349 A 80 TYR H A 70 CYS HA 1.0 0.0 5.50 1368 1350 A 70 CYS HB2 A 71 ASP H 1.0 0.0 5.50 1369 1351 B 50 ALA HB1 A 70 CYS HB2 1.0 0.0 5.13 1370 1352 A 70 CYS HB2 B 65 ARG HA 1.0 0.0 5.50 1371 1353 A 70 CYS HB2 B 66 ILE HB 1.0 0.0 5.29 1372 1354 A 70 CYS HB2 B 66 ILE HD11 1.0 0.0 5.50 1373 1355 A 70 CYS HB2 B 66 ILE HG21 1.0 0.0 5.50 1374 1356 A 70 CYS HB2 B 66 ILE H 1.0 0.0 5.50 1375 1357 A 70 CYS H A 70 CYS HA 1.0 0.0 5.50 1376 1358 A 70 CYS HB2 A 70 CYS H 1.0 0.0 5.46 1377 1359 B 67 THR HA A 70 CYS H 1.0 0.0 5.50 1378 1360 A 70 CYS H B 68 ILE H 1.0 0.0 5.50 1379 1361 A 71 ASP HA A 71 ASP HBy 1.0 0.0 5.19 1380 1362 A 71 ASP HA A 71 ASP HBx 1.0 0.0 5.18 1381 1363 A 71 ASP HA A 72 LYS H 1.0 0.0 5.13 1382 1364 A 71 ASP HA A 73 PHE H 1.0 0.0 5.50 1383 1365 A 71 ASP HA A 78 LYS HBx 1.0 0.0 5.50 1384 1366 A 71 ASP HA B 65 ARG HGy 1.0 0.0 5.50 1385 1367 A 71 ASP HA B 65 ARG HGx 1.0 0.0 5.50 1386 1368 B 66 ILE H A 71 ASP HA 1.0 0.0 5.50 1387 1369 A 71 ASP HBy A 72 LYS H 1.0 0.0 5.50 1388 1370 A 71 ASP HBy A 73 PHE HD% 1.0 0.0 5.50 1389 1371 A 71 ASP HBy A 73 PHE H 1.0 0.0 5.50 1390 1372 A 71 ASP HBy A 78 LYS HBx 1.0 0.0 5.50 1391 1373 A 80 TYR HE% A 71 ASP HBy 1.0 0.0 5.50 1392 1374 B 65 ARG HA A 71 ASP HBy 1.0 0.0 5.50 1393 1375 B 65 ARG HE A 71 ASP HBy 1.0 0.0 5.50 1394 1376 A 71 ASP HBy B 65 ARG HGy 1.0 0.0 5.50 1395 1377 A 71 ASP HBy B 65 ARG HGx 1.0 0.0 5.50 1396 1378 A 71 ASP HBx A 72 LYS H 1.0 0.0 5.50 1397 1379 A 71 ASP HBx A 73 PHE HD% 1.0 0.0 5.50 1398 1380 A 71 ASP HBx A 73 PHE H 1.0 0.0 5.50 1399 1381 A 71 ASP HBx A 78 LYS HBx 1.0 0.0 5.50 1400 1382 A 80 TYR HE% A 71 ASP HBx 1.0 0.0 5.50 1401 1383 B 65 ARG HA A 71 ASP HBx 1.0 0.0 5.50 1402 1384 B 65 ARG HDy A 71 ASP HBx 1.0 0.0 5.50 1403 1385 A 71 ASP HBx B 65 ARG HGy 1.0 0.0 5.50 1404 1386 A 71 ASP HBx B 65 ARG HGx 1.0 0.0 5.50 1405 1387 A 71 ASP H A 71 ASP HA 1.0 0.0 5.50 1406 1388 A 71 ASP H A 71 ASP HBy 1.0 0.0 5.50 1407 1389 A 71 ASP H A 71 ASP HBx 1.0 0.0 5.50 1408 1390 A 71 ASP H A 72 LYS HA 1.0 0.0 5.50 1409 1391 A 71 ASP H A 72 LYS H 1.0 0.0 5.50 1410 1392 A 71 ASP H A 78 LYS HBy 1.0 0.0 5.50 1411 1393 A 71 ASP H A 78 LYS HBx 1.0 0.0 5.50 1412 1394 A 71 ASP H A 78 LYS HG2 1.0 0.0 5.50 1413 1395 A 78 LYS H A 71 ASP H 1.0 0.0 5.50 1414 1396 A 71 ASP H A 78 LYS O 1.0 0.0 2.40 1415 1397 A 71 ASP H A 79 GLY HAy 1.0 0.0 5.50 1416 1398 A 71 ASP H A 79 GLY HAy 1.0 0.0 5.50 1417 1399 A 78 LYS H A 71 ASP O 1.0 0.0 2.40 1418 1400 A 72 LYS HA A 72 LYS HBx 1.0 0.0 5.01 1419 1401 A 72 LYS HE2 A 72 LYS HA 1.0 0.0 5.26 1420 1402 A 72 LYS HA A 72 LYS HGx 1.0 0.0 4.83 1421 1403 A 73 PHE H A 72 LYS HA 1.0 0.0 5.50 1422 1404 A 72 LYS HA A 75 GLY H 1.0 0.0 5.50 1423 1405 A 78 LYS H A 72 LYS HA 1.0 0.0 5.50 1424 1406 A 72 LYS HE2 A 72 LYS HBx 1.0 0.0 5.50 1425 1407 A 72 LYS HBx A 72 LYS HGy 1.0 0.0 5.22 1426 1408 A 72 LYS HBx A 75 GLY H 1.0 0.0 5.50 1427 1409 A 72 LYS HE2 A 72 LYS HBy 1.0 0.0 5.02 1428 1410 A 72 LYS HGy A 72 LYS HBy 1.0 0.0 5.05 1429 1411 A 72 LYS HGx A 72 LYS HBy 1.0 0.0 5.01 1430 1412 A 75 GLY H A 72 LYS HBy 1.0 0.0 5.50 1431 1413 A 72 LYS HE2 A 72 LYS HD2 1.0 0.0 3.82 1432 1414 A 72 LYS HE2 A 76 HIS HA 1.0 0.0 5.50 1433 1415 A 77 PRO HB2 A 72 LYS HE2 1.0 0.0 5.50 1434 1416 A 72 LYS HE2 A 77 PRO HDy 1.0 0.0 5.50 1435 1417 A 72 LYS HE2 B 63 ILE HG21 1.0 0.0 5.50 1436 1418 A 72 LYS HE2 A 72 LYS HGy 1.0 0.0 4.72 1437 1419 A 72 LYS HE2 A 72 LYS HGx 1.0 0.0 4.80 1438 1420 A 72 LYS HGx A 76 HIS HA 1.0 0.0 5.50 1439 1421 A 77 PRO HB2 A 72 LYS HGx 1.0 0.0 5.50 1440 1422 A 72 LYS H A 72 LYS HA 1.0 0.0 5.50 1441 1423 A 72 LYS H A 72 LYS HBx 1.0 0.0 5.50 1442 1424 A 72 LYS H A 72 LYS HGy 1.0 0.0 5.50 1443 1425 A 72 LYS H A 72 LYS HGx 1.0 0.0 5.50 1444 1426 A 72 LYS H A 73 PHE H 1.0 0.0 5.50 1445 1427 B 65 ARG HA A 72 LYS H 1.0 0.0 5.50 1446 1428 A 72 LYS H B 65 ARG HGy 1.0 0.0 5.50 1447 1429 A 73 PHE HA A 73 PHE HBx 1.0 0.0 4.56 1448 1430 A 73 PHE HA A 73 PHE HBy 1.0 0.0 4.41 1449 1431 A 73 PHE HD% A 73 PHE HA 1.0 0.0 5.03 1450 1432 A 73 PHE HA A 74 SER H 1.0 0.0 5.40 1451 1433 A 75 GLY H A 73 PHE HA 1.0 0.0 5.50 1452 1434 A 73 PHE HBx A 74 SER H 1.0 0.0 5.50 1453 1435 B 65 ARG HGx A 73 PHE HBx 1.0 0.0 5.50 1454 1436 A 73 PHE HBy A 74 SER H 1.0 0.0 5.50 1455 1437 B 65 ARG HGx A 73 PHE HBy 1.0 0.0 5.50 1456 1438 A 73 PHE HD% A 73 PHE HBx 1.0 0.0 5.19 1457 1439 A 73 PHE HD% A 73 PHE HBy 1.0 0.0 5.07 1458 1440 A 73 PHE HD% B 64 ASN HBy 1.0 0.0 5.50 1459 1441 A 73 PHE HD% B 64 ASN HBx 1.0 0.0 5.50 1460 1442 A 73 PHE HD% B 65 ARG HBx 1.0 0.0 5.50 1461 1443 B 65 ARG HGy A 73 PHE HD% 1.0 0.0 5.50 1462 1444 B 65 ARG HGx A 73 PHE HD% 1.0 0.0 5.50 1463 1445 B 65 ARG HE A 73 PHE HE% 1.0 0.0 5.50 1464 1446 A 73 PHE H A 73 PHE HA 1.0 0.0 5.11 1465 1447 A 73 PHE H A 73 PHE HBx 1.0 0.0 5.25 1466 1448 A 73 PHE H A 73 PHE HBy 1.0 0.0 5.27 1467 1449 A 73 PHE H A 73 PHE HD% 1.0 0.0 5.50 1468 1450 B 65 ARG HE A 73 PHE H 1.0 0.0 5.50 1469 1451 A 73 PHE H B 65 ARG HGx 1.0 0.0 5.50 1470 1452 A 74 SER HA A 74 SER HB2 1.0 0.0 3.90 1471 1453 A 75 GLY H A 74 SER HA 1.0 0.0 4.98 1472 1454 A 75 GLY H A 74 SER HB2 1.0 0.0 5.50 1473 1455 A 74 SER H A 74 SER HA 1.0 0.0 5.34 1474 1456 A 74 SER H A 74 SER HB2 1.0 0.0 5.50 1475 1457 A 75 GLY H A 74 SER H 1.0 0.0 5.50 1476 1458 A 74 SER H A 76 HIS H 1.0 0.0 5.50 1477 1459 A 76 HIS HA A 75 GLY HAy 1.0 0.0 5.50 1478 1460 A 76 HIS HA A 75 GLY HAy 1.0 0.0 5.50 1479 1461 A 75 GLY HAy A 76 HIS HBx 1.0 0.0 5.50 1480 1462 A 75 GLY HAy A 76 HIS HBx 1.0 0.0 5.50 1481 1463 A 76 HIS H A 75 GLY HAy 1.0 0.0 5.50 1482 1464 A 76 HIS H A 75 GLY HAy 1.0 0.0 5.50 1483 1465 A 75 GLY H A 75 GLY HAy 1.0 0.0 4.48 1484 1466 A 75 GLY H A 75 GLY HAy 1.0 0.0 4.67 1485 1467 A 75 GLY H A 76 HIS H 1.0 0.0 4.98 1486 1468 A 76 HIS HA A 76 HIS HBy 1.0 0.0 4.51 1487 1469 A 76 HIS HA A 76 HIS HBx 1.0 0.0 4.61 1488 1470 A 76 HIS HA A 77 PRO HA 1.0 0.0 5.50 1489 1471 A 76 HIS HA A 77 PRO HDx 1.0 0.0 4.12 1490 1472 A 76 HIS HA A 77 PRO HDy 1.0 0.0 4.01 1491 1473 A 77 PRO HGx A 76 HIS HA 1.0 0.0 5.23 1492 1474 A 77 PRO HGy A 76 HIS HA 1.0 0.0 5.50 1493 1475 A 76 HIS HBy A 76 HIS HD2 1.0 0.0 5.50 1494 1476 A 76 HIS HBy A 77 PRO HDx 1.0 0.0 4.87 1495 1477 A 77 PRO HDy A 76 HIS HBy 1.0 0.0 5.10 1496 1478 A 77 PRO HGx A 76 HIS HBy 1.0 0.0 5.50 1497 1479 A 77 PRO HGy A 76 HIS HBy 1.0 0.0 5.50 1498 1480 A 76 HIS HBx A 77 PRO HDx 1.0 0.0 5.12 1499 1481 A 77 PRO HDy A 76 HIS HBx 1.0 0.0 5.31 1500 1482 A 76 HIS HA A 76 HIS H 1.0 0.0 5.50 1501 1483 A 76 HIS H A 76 HIS HBy 1.0 0.0 5.50 1502 1484 A 76 HIS H A 76 HIS HBx 1.0 0.0 5.47 1503 1485 A 77 PRO HDy A 76 HIS H 1.0 0.0 5.50 1504 1486 A 77 PRO HB2 A 77 PRO HA 1.0 0.0 4.65 1505 1487 A 77 PRO HGx A 77 PRO HA 1.0 0.0 5.36 1506 1488 A 77 PRO HB2 A 78 LYS H 1.0 0.0 4.06 1507 1489 A 77 PRO HB2 A 77 PRO HDx 1.0 0.0 5.50 1508 1490 A 77 PRO HB2 A 77 PRO HDy 1.0 0.0 5.50 1509 1491 A 77 PRO HGx A 77 PRO HDx 1.0 0.0 4.99 1510 1492 A 77 PRO HGx A 77 PRO HDy 1.0 0.0 4.83 1511 1493 A 78 LYS HBy A 78 LYS HA 1.0 0.0 4.74 1512 1494 A 78 LYS HBx A 78 LYS HA 1.0 0.0 4.81 1513 1495 A 78 LYS HA A 78 LYS HE2 1.0 0.0 5.50 1514 1496 A 79 GLY H A 78 LYS HA 1.0 0.0 4.41 1515 1497 A 78 LYS HBx A 78 LYS HBy 1.0 0.0 3.57 1516 1498 A 78 LYS HBy A 78 LYS HD2 1.0 0.0 4.45 1517 1499 A 78 LYS HBy A 78 LYS HE2 1.0 0.0 5.50 1518 1500 A 78 LYS HBy A 78 LYS HG2 1.0 0.0 4.44 1519 1501 A 79 GLY H A 78 LYS HBy 1.0 0.0 5.50 1520 1502 A 80 TYR HE% A 78 LYS HBy 1.0 0.0 5.50 1521 1503 A 78 LYS HBx A 78 LYS HD2 1.0 0.0 4.55 1522 1504 A 78 LYS HBx A 78 LYS HE2 1.0 0.0 5.50 1523 1505 A 78 LYS HBx A 78 LYS HG2 1.0 0.0 4.49 1524 1506 A 79 GLY H A 78 LYS HBx 1.0 0.0 5.50 1525 1507 A 80 TYR HE% A 78 LYS HBx 1.0 0.0 5.50 1526 1508 A 79 GLY H A 78 LYS HD2 1.0 0.0 5.50 1527 1509 A 80 TYR HE% A 78 LYS HE2 1.0 0.0 5.50 1528 1510 A 79 GLY H A 78 LYS HG2 1.0 0.0 5.50 1529 1511 A 78 LYS H A 78 LYS HA 1.0 0.0 5.50 1530 1512 A 78 LYS H A 78 LYS HBy 1.0 0.0 5.50 1531 1513 A 78 LYS H A 78 LYS HBx 1.0 0.0 5.50 1532 1514 A 78 LYS H A 78 LYS HD2 1.0 0.0 5.50 1533 1515 A 79 GLY H A 78 LYS H 1.0 0.0 5.50 1534 1516 A 80 TYR H A 79 GLY HAy 1.0 0.0 5.11 1535 1517 A 80 TYR H A 79 GLY HAy 1.0 0.0 5.21 1536 1518 A 79 GLY H A 79 GLY HAy 1.0 0.0 5.21 1537 1519 A 79 GLY H A 79 GLY HAy 1.0 0.0 5.50 1538 1520 A 79 GLY H A 80 TYR H 1.0 0.0 5.50 1539 1521 A 80 TYR HBx A 80 TYR HA 1.0 0.0 5.48 1540 1522 A 80 TYR HBy A 80 TYR HA 1.0 0.0 5.46 1541 1523 A 80 TYR HD% A 80 TYR HA 1.0 0.0 5.50 1542 1524 A 81 ALA HB% A 80 TYR HA 1.0 0.0 5.50 1543 1525 A 81 ALA H A 80 TYR HA 1.0 0.0 5.48 1544 1526 A 80 TYR HBx A 80 TYR HBy 1.0 0.0 5.37 1545 1527 A 80 TYR HBx A 81 ALA H 1.0 0.0 5.50 1546 1528 A 80 TYR HBy A 81 ALA H 1.0 0.0 5.50 1547 1529 A 80 TYR HBx A 80 TYR HD% 1.0 0.0 5.50 1548 1530 A 80 TYR HBy A 80 TYR HD% 1.0 0.0 5.50 1549 1531 A 80 TYR HD% A 81 ALA H 1.0 0.0 5.50 1550 1532 A 80 TYR HE% B 20 GLU HA 1.0 0.0 5.50 1551 1533 A 80 TYR HE% B 20 GLU HBy 1.0 0.0 5.50 1552 1534 A 80 TYR HE% B 20 GLU HBx 1.0 0.0 5.50 1553 1535 A 80 TYR HE% B 20 GLU HGx 1.0 0.0 5.50 1554 1536 A 80 TYR HE% B 23 PRO HBy 1.0 0.0 5.50 1555 1537 A 80 TYR HE% B 23 PRO HBx 1.0 0.0 5.50 1556 1538 B 23 PRO HDx A 80 TYR HE% 1.0 0.0 5.50 1557 1539 A 80 TYR HE% B 23 PRO HGx 1.0 0.0 5.50 1558 1540 A 80 TYR HA A 80 TYR H 1.0 0.0 5.50 1559 1541 A 80 TYR HBx A 80 TYR H 1.0 0.0 5.50 1560 1542 A 80 TYR HBy A 80 TYR H 1.0 0.0 5.50 1561 1543 A 80 TYR HD% A 80 TYR H 1.0 0.0 5.50 1562 1544 A 81 ALA H A 80 TYR H 1.0 0.0 5.50 1563 1545 A 81 ALA HB% A 81 ALA HA 1.0 0.0 4.30 1564 1546 A 81 ALA HA A 82 TYR H 1.0 0.0 5.06 1565 1547 A 81 ALA HB% A 82 TYR H 1.0 0.0 4.79 1566 1548 A 83 ILE HD1% A 81 ALA HB% 1.0 0.0 5.01 1567 1549 A 81 ALA H A 81 ALA HA 1.0 0.0 5.50 1568 1550 A 81 ALA HB% A 81 ALA H 1.0 0.0 5.11 1569 1551 A 81 ALA H A 82 TYR H 1.0 0.0 5.50 1570 1552 A 82 TYR HA A 82 TYR HBx 1.0 0.0 5.50 1571 1553 A 82 TYR HA A 82 TYR HBy 1.0 0.0 5.50 1572 1554 A 82 TYR HA A 82 TYR HD% 1.0 0.0 5.50 1573 1555 A 83 ILE H A 82 TYR HA 1.0 0.0 5.22 1574 1556 A 83 ILE H A 82 TYR HBy 1.0 0.0 5.50 1575 1557 A 82 TYR HD% A 82 TYR HBx 1.0 0.0 5.50 1576 1558 A 82 TYR HD% A 82 TYR HBy 1.0 0.0 5.50 1577 1559 A 83 ILE H A 82 TYR HD% 1.0 0.0 5.50 1578 1560 A 82 TYR HD% A 112 LYS HEx 1.0 0.0 5.50 1579 1561 A 82 TYR HE% A 82 TYR HBx 1.0 0.0 5.50 1580 1562 A 112 LYS HBx A 82 TYR HE% 1.0 0.0 5.50 1581 1563 A 82 TYR HE% A 112 LYS HEx 1.0 0.0 5.50 1582 1564 A 112 LYS HEy A 82 TYR HE% 1.0 0.0 5.50 1583 1565 A 82 TYR HE% A 112 LYS HGy 1.0 0.0 5.50 1584 1566 A 82 TYR HE% A 112 LYS HGx 1.0 0.0 5.50 1585 1567 A 82 TYR HE% B 21 GLY HAy 1.0 0.0 5.50 1586 1568 A 82 TYR HE% B 21 GLY H 1.0 0.0 5.50 1587 1569 A 82 TYR HE% B 22 PRO HGy 1.0 0.0 5.50 1588 1570 A 82 TYR HA A 82 TYR H 1.0 0.0 5.50 1589 1571 A 82 TYR HBx A 82 TYR H 1.0 0.0 5.50 1590 1572 A 82 TYR HBy A 82 TYR H 1.0 0.0 5.50 1591 1573 A 82 TYR HD% A 82 TYR H 1.0 0.0 5.50 1592 1574 A 83 ILE H A 82 TYR H 1.0 0.0 5.50 1593 1575 A 83 ILE HB A 83 ILE HA 1.0 0.0 5.50 1594 1576 A 83 ILE HD1% A 83 ILE HA 1.0 0.0 5.50 1595 1577 A 83 ILE HA A 83 ILE HG13 1.0 0.0 5.50 1596 1578 A 83 ILE HG12 A 83 ILE HA 1.0 0.0 5.50 1597 1579 A 83 ILE HG2% A 83 ILE HA 1.0 0.0 5.15 1598 1580 A 83 ILE HA A 84 GLU H 1.0 0.0 4.93 1599 1581 A 83 ILE HD1% A 83 ILE HB 1.0 0.0 4.82 1600 1582 A 83 ILE HB A 83 ILE HG13 1.0 0.0 4.59 1601 1583 A 83 ILE HB A 83 ILE HG12 1.0 0.0 5.38 1602 1584 A 83 ILE HG2% A 83 ILE HB 1.0 0.0 4.81 1603 1585 A 83 ILE HB A 84 GLU H 1.0 0.0 5.50 1604 1586 A 83 ILE HD1% A 83 ILE HG12 1.0 0.0 4.99 1605 1587 A 83 ILE HD1% A 84 GLU H 1.0 0.0 5.50 1606 1588 A 83 ILE HD1% A 83 ILE HG13 1.0 0.0 4.02 1607 1589 A 83 ILE HG12 A 83 ILE HG13 1.0 0.0 4.43 1608 1590 A 83 ILE HD1% A 83 ILE HG2% 1.0 0.0 4.07 1609 1591 A 83 ILE HG2% A 83 ILE HG13 1.0 0.0 4.62 1610 1592 A 83 ILE HG2% A 83 ILE HG12 1.0 0.0 5.28 1611 1593 A 83 ILE HG2% A 84 GLU H 1.0 0.0 5.34 1612 1594 A 85 PHE H A 83 ILE HG2% 1.0 0.0 5.50 1613 1595 A 83 ILE H A 83 ILE HA 1.0 0.0 5.50 1614 1596 A 83 ILE H A 83 ILE HB 1.0 0.0 5.50 1615 1597 A 83 ILE HD1% A 83 ILE H 1.0 0.0 5.50 1616 1598 A 83 ILE H A 83 ILE HG13 1.0 0.0 5.50 1617 1599 A 83 ILE H A 83 ILE HG12 1.0 0.0 5.50 1618 1600 A 83 ILE HG2% A 83 ILE H 1.0 0.0 5.50 1619 1601 A 84 GLU HA A 84 GLU HBx 1.0 0.0 5.50 1620 1602 A 84 GLU HA A 85 PHE H 1.0 0.0 5.21 1621 1603 A 84 GLU HA A 84 GLU H 1.0 0.0 5.50 1622 1604 A 84 GLU HBx A 84 GLU H 1.0 0.0 5.50 1623 1605 A 84 GLU HBy A 84 GLU H 1.0 0.0 5.50 1624 1606 A 85 PHE H A 84 GLU H 1.0 0.0 5.50 1625 1607 A 85 PHE HA A 85 PHE HBy 1.0 0.0 5.50 1626 1608 A 85 PHE HA A 85 PHE HBx 1.0 0.0 5.50 1627 1609 A 85 PHE HA A 86 ALA H 1.0 0.0 5.16 1628 1610 A 85 PHE HA A 87 GLU H 1.0 0.0 5.50 1629 1611 A 85 PHE HBy A 85 PHE HBx 1.0 0.0 5.50 1630 1612 A 85 PHE HBy A 86 ALA H 1.0 0.0 5.50 1631 1613 A 85 PHE HBy A 87 GLU H 1.0 0.0 5.50 1632 1614 A 85 PHE HBy A 90 SER HA 1.0 0.0 5.50 1633 1615 A 85 PHE HBy A 90 SER HBy 1.0 0.0 5.50 1634 1616 A 85 PHE HBy A 90 SER HBx 1.0 0.0 5.50 1635 1617 A 85 PHE HBy A 90 SER H 1.0 0.0 5.50 1636 1618 A 91 VAL HGx% A 85 PHE HBy 1.0 0.0 5.50 1637 1619 A 86 ALA H A 85 PHE HBx 1.0 0.0 5.50 1638 1620 A 85 PHE HBx A 87 GLU H 1.0 0.0 5.50 1639 1621 A 85 PHE HBx A 90 SER HBy 1.0 0.0 5.50 1640 1622 A 91 VAL HGx% A 85 PHE HBx 1.0 0.0 5.50 1641 1623 A 91 VAL HGy% A 85 PHE HBx 1.0 0.0 5.50 1642 1624 A 85 PHE HD% A 85 PHE HBx 1.0 0.0 5.50 1643 1625 A 85 PHE HD% A 86 ALA H 1.0 0.0 5.50 1644 1626 A 85 PHE HD% A 90 SER HBy 1.0 0.0 5.50 1645 1627 A 85 PHE HD% A 90 SER HBx 1.0 0.0 5.50 1646 1628 A 85 PHE HD% A 91 VAL HA 1.0 0.0 5.50 1647 1629 A 85 PHE HD% A 94 ALA HB% 1.0 0.0 5.24 1648 1630 A 85 PHE HE% A 85 PHE HBy 1.0 0.0 5.50 1649 1631 A 85 PHE HE% A 90 SER HBx 1.0 0.0 5.50 1650 1632 A 85 PHE HE% A 91 VAL HA 1.0 0.0 5.50 1651 1633 A 85 PHE HE% A 94 ALA HA 1.0 0.0 5.50 1652 1634 A 85 PHE HE% A 94 ALA HB% 1.0 0.0 4.63 1653 1635 A 85 PHE H A 85 PHE HA 1.0 0.0 5.50 1654 1636 A 85 PHE H A 85 PHE HBy 1.0 0.0 5.50 1655 1637 A 85 PHE H A 85 PHE HBx 1.0 0.0 5.50 1656 1638 A 85 PHE HD% A 85 PHE H 1.0 0.0 5.50 1657 1639 A 85 PHE H A 86 ALA H 1.0 0.0 5.50 1658 1640 A 85 PHE H A 87 GLU H 1.0 0.0 5.50 1659 1641 A 91 VAL HGx% A 85 PHE H 1.0 0.0 5.50 1660 1642 A 85 PHE HZ A 94 ALA HB% 1.0 0.0 4.71 1661 1643 A 86 ALA HA A 86 ALA HB% 1.0 0.0 3.90 1662 1644 A 86 ALA HA A 87 GLU H 1.0 0.0 5.50 1663 1645 A 86 ALA HB% A 87 GLU H 1.0 0.0 4.79 1664 1646 A 86 ALA HA A 86 ALA H 1.0 0.0 5.34 1665 1647 A 86 ALA HB% A 86 ALA H 1.0 0.0 4.33 1666 1648 A 86 ALA H A 87 GLU H 1.0 0.0 5.22 1667 1649 A 86 ALA H A 90 SER HBx 1.0 0.0 5.50 1668 1650 A 87 GLU HA A 87 GLU HBy 1.0 0.0 4.41 1669 1651 A 87 GLU HA A 87 GLU HBx 1.0 0.0 4.67 1670 1652 A 87 GLU HA A 88 ARG H 1.0 0.0 4.57 1671 1653 A 87 GLU HBy A 87 GLU HBx 1.0 0.0 3.88 1672 1654 A 87 GLU HBy A 88 ARG H 1.0 0.0 5.50 1673 1655 A 87 GLU HBy A 89 ASN HB2 1.0 0.0 5.30 1674 1656 A 87 GLU HBy A 89 ASN H 1.0 0.0 5.01 1675 1657 A 90 SER H A 87 GLU HBy 1.0 0.0 5.39 1676 1658 A 87 GLU HBx A 88 ARG H 1.0 0.0 5.50 1677 1659 A 87 GLU HBx A 89 ASN HB2 1.0 0.0 5.50 1678 1660 A 90 SER HA A 87 GLU HBx 1.0 0.0 5.50 1679 1661 A 90 SER H A 87 GLU HBx 1.0 0.0 5.50 1680 1662 A 88 ARG H A 87 GLU HG2 1.0 0.0 5.43 1681 1663 A 87 GLU HA A 87 GLU H 1.0 0.0 5.21 1682 1664 A 87 GLU H A 87 GLU HBy 1.0 0.0 4.82 1683 1665 A 87 GLU H A 87 GLU HBx 1.0 0.0 5.03 1684 1666 A 87 GLU H A 87 GLU HG2 1.0 0.0 5.24 1685 1667 A 88 ARG HA A 87 GLU H 1.0 0.0 5.50 1686 1668 A 87 GLU H A 89 ASN H 1.0 0.0 5.50 1687 1669 A 87 GLU H A 90 SER HBy 1.0 0.0 5.50 1688 1670 A 87 GLU H A 90 SER H 1.0 0.0 5.50 1689 1671 A 87 GLU H A 91 VAL H 1.0 0.0 5.50 1690 1672 A 88 ARG HA A 88 ARG HBy 1.0 0.0 4.72 1691 1673 A 88 ARG HDx A 88 ARG HA 1.0 0.0 5.32 1692 1674 A 88 ARG HDy A 88 ARG HA 1.0 0.0 5.45 1693 1675 A 88 ARG HA A 88 ARG HG2 1.0 0.0 4.59 1694 1676 A 88 ARG HA A 89 ASN H 1.0 0.0 5.50 1695 1677 A 88 ARG HA A 91 VAL HB 1.0 0.0 5.50 1696 1678 A 88 ARG HA A 91 VAL HGx% 1.0 0.0 4.83 1697 1679 A 88 ARG HA A 91 VAL HGy% 1.0 0.0 5.50 1698 1680 A 88 ARG HDy A 88 ARG HBy 1.0 0.0 5.50 1699 1681 A 89 ASN H A 88 ARG HBy 1.0 0.0 4.86 1700 1682 A 88 ARG HDy A 89 ASN H 1.0 0.0 5.50 1701 1683 A 88 ARG HDy A 91 VAL HB 1.0 0.0 5.50 1702 1684 A 88 ARG HDy A 91 VAL HGx% 1.0 0.0 5.40 1703 1685 A 88 ARG HDy A 91 VAL HGy% 1.0 0.0 5.50 1704 1686 A 88 ARG HDx A 88 ARG HG2 1.0 0.0 4.45 1705 1687 A 88 ARG HDy A 88 ARG HG2 1.0 0.0 3.96 1706 1688 A 88 ARG HA A 88 ARG H 1.0 0.0 5.30 1707 1689 A 88 ARG H A 88 ARG HBx 1.0 0.0 4.84 1708 1690 A 88 ARG H A 88 ARG HBy 1.0 0.0 4.81 1709 1691 A 88 ARG HG2 A 88 ARG H 1.0 0.0 5.12 1710 1692 A 91 VAL HGx% A 88 ARG H 1.0 0.0 5.50 1711 1693 A 88 ARG O A 92 ASP H 1.0 0.0 2.40 1712 1694 A 89 ASN HB2 A 89 ASN HA 1.0 0.0 3.79 1713 1695 A 90 SER H A 89 ASN HA 1.0 0.0 5.50 1714 1696 A 91 VAL H A 89 ASN HA 1.0 0.0 5.50 1715 1697 A 89 ASN HA A 92 ASP HB2 1.0 0.0 5.50 1716 1698 A 92 ASP H A 89 ASN HA 1.0 0.0 5.50 1717 1699 A 89 ASN HA A 93 ALA H 1.0 0.0 5.50 1718 1700 A 89 ASN HB2 A 89 ASN HD2x 1.0 0.0 5.26 1719 1701 A 89 ASN HB2 A 89 ASN HD2y 1.0 0.0 4.98 1720 1702 A 90 SER HA A 89 ASN HB2 1.0 0.0 5.50 1721 1703 A 90 SER H A 89 ASN HB2 1.0 0.0 5.41 1722 1704 A 89 ASN HB2 A 92 ASP H 1.0 0.0 5.50 1723 1705 A 89 ASN H A 89 ASN HA 1.0 0.0 4.65 1724 1706 A 89 ASN HB2 A 89 ASN H 1.0 0.0 4.35 1725 1707 A 90 SER H A 89 ASN H 1.0 0.0 5.30 1726 1708 A 91 VAL HGx% A 89 ASN H 1.0 0.0 5.50 1727 1709 A 89 ASN H A 91 VAL H 1.0 0.0 5.50 1728 1710 A 93 ALA H A 89 ASN O 1.0 0.0 2.40 1729 1711 A 90 SER HA A 90 SER HBy 1.0 0.0 5.33 1730 1712 A 90 SER HA A 90 SER HBx 1.0 0.0 5.21 1731 1713 A 91 VAL HA A 90 SER HA 1.0 0.0 5.50 1732 1714 A 90 SER HA A 91 VAL H 1.0 0.0 5.50 1733 1715 A 90 SER HA A 92 ASP H 1.0 0.0 5.50 1734 1716 A 93 ALA HB% A 90 SER HA 1.0 0.0 4.71 1735 1717 A 90 SER HA A 93 ALA H 1.0 0.0 5.43 1736 1718 A 94 ALA H A 90 SER HA 1.0 0.0 5.50 1737 1719 A 90 SER HBy A 90 SER HBx 1.0 0.0 5.45 1738 1720 A 90 SER HBy A 91 VAL H 1.0 0.0 5.50 1739 1721 A 90 SER HBx A 91 VAL H 1.0 0.0 5.50 1740 1722 A 90 SER HA A 90 SER H 1.0 0.0 5.16 1741 1723 A 90 SER HBy A 90 SER H 1.0 0.0 5.22 1742 1724 A 90 SER HBx A 90 SER H 1.0 0.0 5.43 1743 1725 A 91 VAL HGx% A 90 SER H 1.0 0.0 5.44 1744 1726 A 90 SER H A 91 VAL H 1.0 0.0 5.44 1745 1727 A 90 SER H A 92 ASP HB2 1.0 0.0 5.50 1746 1728 A 90 SER H A 92 ASP H 1.0 0.0 5.50 1747 1729 A 93 ALA HB% A 90 SER H 1.0 0.0 5.50 1748 1730 A 90 SER H A 93 ALA H 1.0 0.0 5.50 1749 1731 A 94 ALA H A 90 SER O 1.0 0.0 2.40 1750 1732 A 91 VAL HA A 91 VAL HB 1.0 0.0 5.04 1751 1733 A 91 VAL HGx% A 91 VAL HA 1.0 0.0 4.20 1752 1734 A 91 VAL HGy% A 91 VAL HA 1.0 0.0 4.35 1753 1735 A 91 VAL HA A 92 ASP H 1.0 0.0 5.50 1754 1736 A 91 VAL HA A 93 ALA HB% 1.0 0.0 5.50 1755 1737 A 91 VAL HA A 93 ALA H 1.0 0.0 5.50 1756 1738 A 91 VAL HA A 94 ALA HB% 1.0 0.0 4.92 1757 1739 A 91 VAL HA A 94 ALA H 1.0 0.0 5.50 1758 1740 A 91 VAL HA A 95 VAL HGx% 1.0 0.0 5.50 1759 1741 A 91 VAL HA A 95 VAL H 1.0 0.0 5.50 1760 1742 A 91 VAL HGx% A 91 VAL HB 1.0 0.0 4.04 1761 1743 A 91 VAL HGy% A 91 VAL HB 1.0 0.0 4.06 1762 1744 A 91 VAL HB A 92 ASP H 1.0 0.0 4.96 1763 1745 A 94 ALA HB% A 91 VAL HB 1.0 0.0 5.50 1764 1746 A 91 VAL HGx% A 92 ASP H 1.0 0.0 5.24 1765 1747 A 91 VAL HGx% A 93 ALA H 1.0 0.0 5.50 1766 1748 A 91 VAL HGy% A 91 VAL HGx% 1.0 0.0 3.57 1767 1749 A 91 VAL HGy% A 92 ASP HA 1.0 0.0 5.38 1768 1750 A 91 VAL HGy% A 92 ASP H 1.0 0.0 5.27 1769 1751 A 91 VAL HGy% A 93 ALA H 1.0 0.0 5.50 1770 1752 A 91 VAL HGy% A 95 VAL H 1.0 0.0 5.50 1771 1753 A 91 VAL HGy% A 111 PRO HA 1.0 0.0 5.19 1772 1754 A 91 VAL HGy% A 111 PRO HBx 1.0 0.0 5.01 1773 1755 A 91 VAL HGy% A 111 PRO HBy 1.0 0.0 4.76 1774 1756 A 91 VAL HGy% A 111 PRO HDx 1.0 0.0 5.50 1775 1757 A 91 VAL HGy% A 111 PRO HDy 1.0 0.0 5.50 1776 1758 A 91 VAL HGy% A 111 PRO HGy 1.0 0.0 5.34 1777 1759 A 91 VAL HGy% A 111 PRO HGx 1.0 0.0 4.64 1778 1760 A 91 VAL HGy% A 112 LYS H 1.0 0.0 5.50 1779 1761 A 91 VAL HA A 91 VAL H 1.0 0.0 5.50 1780 1762 A 91 VAL H A 91 VAL HB 1.0 0.0 4.91 1781 1763 A 91 VAL HGx% A 91 VAL H 1.0 0.0 4.52 1782 1764 A 91 VAL HGy% A 91 VAL H 1.0 0.0 5.25 1783 1765 A 91 VAL H A 92 ASP HB2 1.0 0.0 5.50 1784 1766 A 91 VAL H A 92 ASP H 1.0 0.0 5.01 1785 1767 A 91 VAL H A 93 ALA H 1.0 0.0 5.50 1786 1768 A 94 ALA H A 91 VAL H 1.0 0.0 5.50 1787 1769 A 95 VAL H A 91 VAL O 1.0 0.0 2.40 1788 1770 A 92 ASP HB2 A 92 ASP HA 1.0 0.0 4.09 1789 1771 A 93 ALA HB% A 92 ASP HA 1.0 0.0 5.50 1790 1772 A 93 ALA H A 92 ASP HA 1.0 0.0 5.50 1791 1773 A 94 ALA H A 92 ASP HA 1.0 0.0 5.50 1792 1774 A 92 ASP HA A 95 VAL HB 1.0 0.0 4.92 1793 1775 A 95 VAL HGx% A 92 ASP HA 1.0 0.0 4.31 1794 1776 A 95 VAL H A 92 ASP HA 1.0 0.0 5.50 1795 1777 A 92 ASP HA A 96 ALA H 1.0 0.0 5.50 1796 1778 A 92 ASP HB2 A 93 ALA H 1.0 0.0 4.57 1797 1779 A 92 ASP HB2 A 95 VAL HGx% 1.0 0.0 5.50 1798 1780 A 92 ASP H A 92 ASP HA 1.0 0.0 4.91 1799 1781 A 92 ASP H A 92 ASP HB2 1.0 0.0 4.38 1800 1782 A 93 ALA HB% A 92 ASP H 1.0 0.0 5.50 1801 1783 A 92 ASP H A 93 ALA H 1.0 0.0 4.83 1802 1784 A 94 ALA H A 92 ASP H 1.0 0.0 5.50 1803 1785 A 92 ASP H A 95 VAL H 1.0 0.0 5.50 1804 1786 A 94 ALA H A 93 ALA HA 1.0 0.0 5.50 1805 1787 A 93 ALA HA A 96 ALA HB% 1.0 0.0 4.39 1806 1788 A 96 ALA H A 93 ALA HA 1.0 0.0 5.50 1807 1789 A 93 ALA HB% A 93 ALA HA 1.0 0.0 3.73 1808 1790 A 93 ALA HB% A 94 ALA H 1.0 0.0 4.65 1809 1791 A 93 ALA H A 93 ALA HA 1.0 0.0 4.72 1810 1792 A 93 ALA HB% A 93 ALA H 1.0 0.0 4.08 1811 1793 A 94 ALA H A 93 ALA H 1.0 0.0 4.69 1812 1794 A 93 ALA H A 95 VAL HGx% 1.0 0.0 5.50 1813 1795 A 93 ALA H A 95 VAL H 1.0 0.0 5.50 1814 1796 A 94 ALA HB% A 94 ALA HA 1.0 0.0 4.25 1815 1797 A 94 ALA HB% A 95 VAL H 1.0 0.0 5.27 1816 1798 A 94 ALA HB% A 109 VAL HGx% 1.0 0.0 4.81 1817 1799 A 94 ALA H A 94 ALA HA 1.0 0.0 5.10 1818 1800 A 94 ALA HB% A 94 ALA H 1.0 0.0 4.42 1819 1801 A 94 ALA H A 95 VAL HGx% 1.0 0.0 5.50 1820 1802 A 94 ALA H A 95 VAL H 1.0 0.0 5.05 1821 1803 A 94 ALA H A 96 ALA H 1.0 0.0 5.50 1822 1804 A 95 VAL HB A 95 VAL HA 1.0 0.0 4.91 1823 1805 A 95 VAL HGx% A 95 VAL HA 1.0 0.0 4.06 1824 1806 A 95 VAL HA A 95 VAL HGy% 1.0 0.0 4.21 1825 1807 A 96 ALA H A 95 VAL HA 1.0 0.0 5.50 1826 1808 A 95 VAL HA A 97 MET H 1.0 0.0 5.50 1827 1809 A 95 VAL HA A 98 ASP H 1.0 0.0 5.50 1828 1810 A 109 VAL HB A 95 VAL HA 1.0 0.0 5.12 1829 1811 A 109 VAL HGy% A 95 VAL HA 1.0 0.0 4.55 1830 1812 A 95 VAL HB A 95 VAL HGy% 1.0 0.0 3.81 1831 1813 A 95 VAL HB A 96 ALA H 1.0 0.0 5.42 1832 1814 A 95 VAL HGx% A 95 VAL HB 1.0 0.0 3.64 1833 1815 A 95 VAL HGx% A 96 ALA H 1.0 0.0 4.91 1834 1816 A 95 VAL HGx% A 110 LEU HA 1.0 0.0 4.87 1835 1817 A 95 VAL HGx% A 111 PRO HGx 1.0 0.0 4.42 1836 1818 A 95 VAL H A 95 VAL HA 1.0 0.0 5.50 1837 1819 A 95 VAL H A 95 VAL HB 1.0 0.0 4.64 1838 1820 A 95 VAL HGx% A 95 VAL H 1.0 0.0 4.45 1839 1821 A 95 VAL H A 95 VAL HGy% 1.0 0.0 4.99 1840 1822 A 95 VAL H A 96 ALA H 1.0 0.0 5.05 1841 1823 A 95 VAL H A 97 MET H 1.0 0.0 5.50 1842 1824 A 109 VAL HGy% A 95 VAL H 1.0 0.0 5.50 1843 1825 A 97 MET H A 96 ALA HA 1.0 0.0 4.91 1844 1826 A 98 ASP H A 96 ALA HA 1.0 0.0 5.50 1845 1827 A 96 ALA HB% A 96 ALA HA 1.0 0.0 3.61 1846 1828 A 96 ALA HB% A 97 MET H 1.0 0.0 5.01 1847 1829 A 96 ALA H A 96 ALA HA 1.0 0.0 4.66 1848 1830 A 96 ALA H A 96 ALA HB% 1.0 0.0 4.11 1849 1831 A 96 ALA H A 97 MET HBy 1.0 0.0 5.50 1850 1832 A 96 ALA H A 97 MET H 1.0 0.0 4.95 1851 1833 A 96 ALA H A 98 ASP H 1.0 0.0 5.50 1852 1834 A 97 MET HA A 97 MET HBx 1.0 0.0 5.22 1853 1835 A 97 MET HA A 97 MET HGy 1.0 0.0 4.78 1854 1836 A 98 ASP H A 97 MET HA 1.0 0.0 5.50 1855 1837 A 97 MET HA A 100 THR H 1.0 0.0 5.50 1856 1838 A 97 MET HBy A 97 MET HBx 1.0 0.0 5.05 1857 1839 A 97 MET HE% A 97 MET HBx 1.0 0.0 5.50 1858 1840 A 97 MET HBx A 100 THR HG2% 1.0 0.0 5.29 1859 1841 A 97 MET HBy A 100 THR HG2% 1.0 0.0 5.29 1860 1842 A 107 ILE HD1% A 97 MET HBy 1.0 0.0 5.50 1861 1843 A 97 MET HE% A 98 ASP H 1.0 0.0 5.50 1862 1844 A 97 MET HE% A 100 THR HG2% 1.0 0.0 4.66 1863 1845 A 107 ILE HD1% A 97 MET HE% 1.0 0.0 5.50 1864 1846 A 97 MET HE% A 97 MET HGy 1.0 0.0 4.56 1865 1847 A 98 ASP H A 97 MET HGy 1.0 0.0 5.50 1866 1848 A 97 MET HE% A 97 MET HGx 1.0 0.0 4.65 1867 1849 A 98 ASP H A 97 MET HGx 1.0 0.0 5.50 1868 1850 A 100 THR HG2% A 97 MET HGx 1.0 0.0 5.14 1869 1851 A 97 MET H A 97 MET HA 1.0 0.0 5.05 1870 1852 A 97 MET H A 97 MET HBx 1.0 0.0 5.44 1871 1853 A 97 MET H A 97 MET HBy 1.0 0.0 4.77 1872 1854 A 97 MET HE% A 97 MET H 1.0 0.0 5.50 1873 1855 A 97 MET H A 97 MET HGy 1.0 0.0 5.41 1874 1856 A 97 MET H A 97 MET HGx 1.0 0.0 5.50 1875 1857 A 97 MET H A 100 THR HG2% 1.0 0.0 5.50 1876 1858 A 109 VAL HGx% A 97 MET H 1.0 0.0 5.50 1877 1859 A 109 VAL HGy% A 97 MET H 1.0 0.0 5.50 1878 1860 A 98 ASP HA A 98 ASP HBy 1.0 0.0 5.50 1879 1861 A 98 ASP HA A 98 ASP HBx 1.0 0.0 5.38 1880 1862 A 98 ASP HA A 99 GLU H 1.0 0.0 5.25 1881 1863 A 100 THR H A 98 ASP HA 1.0 0.0 5.50 1882 1864 A 107 ILE HD1% A 98 ASP HA 1.0 0.0 5.50 1883 1865 A 98 ASP HA A 108 LYS HA 1.0 0.0 5.50 1884 1866 A 109 VAL HB A 98 ASP HA 1.0 0.0 5.50 1885 1867 A 109 VAL HGx% A 98 ASP HA 1.0 0.0 4.55 1886 1868 A 98 ASP HA A 109 VAL H 1.0 0.0 5.50 1887 1869 A 98 ASP HBy A 99 GLU H 1.0 0.0 5.50 1888 1870 A 109 VAL HB A 98 ASP HBy 1.0 0.0 5.50 1889 1871 A 109 VAL HGx% A 98 ASP HBy 1.0 0.0 5.49 1890 1872 A 98 ASP HBy A 109 VAL H 1.0 0.0 5.50 1891 1873 A 98 ASP HBx A 99 GLU H 1.0 0.0 5.50 1892 1874 A 109 VAL HB A 98 ASP HBx 1.0 0.0 5.50 1893 1875 A 109 VAL HGx% A 98 ASP HBx 1.0 0.0 5.30 1894 1876 A 98 ASP HBx A 109 VAL H 1.0 0.0 5.50 1895 1877 A 98 ASP H A 98 ASP HA 1.0 0.0 4.91 1896 1878 A 98 ASP H A 98 ASP HBy 1.0 0.0 5.25 1897 1879 A 98 ASP H A 98 ASP HBx 1.0 0.0 4.75 1898 1880 A 98 ASP H A 99 GLU H 1.0 0.0 5.50 1899 1881 A 109 VAL HB A 98 ASP H 1.0 0.0 5.50 1900 1882 A 109 VAL HGx% A 98 ASP H 1.0 0.0 5.42 1901 1883 A 109 VAL HGy% A 98 ASP H 1.0 0.0 5.50 1902 1884 A 99 GLU HA A 99 GLU HBy 1.0 0.0 5.17 1903 1885 A 99 GLU HA A 99 GLU HGx 1.0 0.0 4.43 1904 1886 A 99 GLU HA A 99 GLU HGy 1.0 0.0 4.60 1905 1887 A 100 THR H A 99 GLU HA 1.0 0.0 5.23 1906 1888 A 106 THR HG2% A 99 GLU HA 1.0 0.0 3.33 1907 1889 A 106 THR HG2% A 99 GLU HBx 1.0 0.0 5.25 1908 1890 A 100 THR H A 99 GLU HBy 1.0 0.0 5.50 1909 1891 A 106 THR HG2% A 99 GLU HBy 1.0 0.0 5.30 1910 1892 A 100 THR H A 99 GLU HGx 1.0 0.0 5.50 1911 1893 A 106 THR HG2% A 99 GLU HGx 1.0 0.0 4.84 1912 1894 A 106 THR HG2% A 99 GLU HGy 1.0 0.0 5.06 1913 1895 A 99 GLU H A 99 GLU HA 1.0 0.0 5.13 1914 1896 A 99 GLU H A 99 GLU HBx 1.0 0.0 5.48 1915 1897 A 99 GLU H A 99 GLU HBy 1.0 0.0 5.50 1916 1898 A 99 GLU H A 99 GLU HGx 1.0 0.0 5.50 1917 1899 A 99 GLU H A 99 GLU HGy 1.0 0.0 5.50 1918 1900 A 100 THR H A 99 GLU H 1.0 0.0 5.50 1919 1901 A 106 THR HG2% A 99 GLU H 1.0 0.0 5.39 1920 1902 A 99 GLU H A 108 LYS HA 1.0 0.0 5.50 1921 1903 A 108 LYS HD2 A 99 GLU H 1.0 0.0 5.50 1922 1904 A 99 GLU H A 109 VAL H 1.0 0.0 5.50 1923 1905 A 100 THR HG2% A 100 THR HA 1.0 0.0 3.83 1924 1906 A 100 THR HA A 101 VAL H 1.0 0.0 4.71 1925 1907 A 100 THR HG2% A 100 THR HB 1.0 0.0 4.77 1926 1908 A 100 THR HG2% A 101 VAL H 1.0 0.0 5.05 1927 1909 A 107 ILE HD1% A 100 THR HG2% 1.0 0.0 5.50 1928 1910 A 100 THR H A 100 THR HG2% 1.0 0.0 4.99 1929 1911 A 100 THR H A 101 VAL H 1.0 0.0 5.50 1930 1912 A 106 THR HG2% A 100 THR H 1.0 0.0 5.30 1931 1913 A 100 THR H A 108 LYS HA 1.0 0.0 5.50 1932 1914 A 101 VAL HA A 101 VAL HB 1.0 0.0 4.58 1933 1915 A 101 VAL HA A 101 VAL HGx% 1.0 0.0 3.89 1934 1916 A 101 VAL HA A 101 VAL HGy% 1.0 0.0 4.13 1935 1917 A 101 VAL HA A 102 PHE H 1.0 0.0 4.52 1936 1918 A 101 VAL HB A 101 VAL HGx% 1.0 0.0 3.70 1937 1919 A 101 VAL HB A 101 VAL HGy% 1.0 0.0 3.81 1938 1920 A 101 VAL HB A 102 PHE H 1.0 0.0 5.50 1939 1921 A 101 VAL HB A 106 THR HA 1.0 0.0 4.62 1940 1922 A 101 VAL HGx% A 101 VAL HGy% 1.0 0.0 3.34 1941 1923 A 101 VAL HGx% A 102 PHE H 1.0 0.0 4.93 1942 1924 A 101 VAL HGx% A 104 GLY H 1.0 0.0 5.50 1943 1925 A 101 VAL HGx% A 106 THR HA 1.0 0.0 5.34 1944 1926 A 101 VAL HGx% A 107 ILE H 1.0 0.0 5.50 1945 1927 A 101 VAL HGy% A 102 PHE H 1.0 0.0 4.50 1946 1928 A 101 VAL HGy% A 103 ARG HA 1.0 0.0 5.50 1947 1929 A 101 VAL HGy% A 103 ARG H 1.0 0.0 5.50 1948 1930 A 101 VAL HGy% A 104 GLY HAx 1.0 0.0 4.71 1949 1931 A 101 VAL HGy% A 104 GLY HAx 1.0 0.0 4.77 1950 1932 A 101 VAL HGy% A 104 GLY H 1.0 0.0 4.43 1951 1933 A 101 VAL HGy% A 105 ARG H 1.0 0.0 4.95 1952 1934 A 106 THR H A 101 VAL HGy% 1.0 0.0 5.50 1953 1935 A 101 VAL H A 101 VAL HB 1.0 0.0 4.32 1954 1936 A 101 VAL H A 101 VAL HGx% 1.0 0.0 4.51 1955 1937 A 101 VAL H A 101 VAL HGy% 1.0 0.0 5.30 1956 1938 A 101 VAL H A 102 PHE H 1.0 0.0 5.50 1957 1939 A 103 ARG H A 102 PHE HA 1.0 0.0 4.87 1958 1940 A 104 GLY H A 102 PHE HA 1.0 0.0 5.50 1959 1941 A 103 ARG H A 102 PHE HBy 1.0 0.0 5.50 1960 1942 A 107 ILE HD1% A 102 PHE HBy 1.0 0.0 5.50 1961 1943 A 103 ARG H A 102 PHE HBx 1.0 0.0 5.50 1962 1944 A 107 ILE HD1% A 102 PHE HBx 1.0 0.0 5.35 1963 1945 A 107 ILE HG2% A 102 PHE HBx 1.0 0.0 5.50 1964 1946 A 102 PHE HD% A 102 PHE HBx 1.0 0.0 5.50 1965 1947 A 102 PHE HD% A 103 ARG H 1.0 0.0 5.50 1966 1948 A 102 PHE HD% A 105 ARG HGx 1.0 0.0 5.50 1967 1949 A 107 ILE HD1% A 102 PHE HD% 1.0 0.0 5.32 1968 1950 A 107 ILE HG2% A 102 PHE HD% 1.0 0.0 5.44 1969 1951 A 107 ILE HD1% A 102 PHE HE% 1.0 0.0 4.86 1970 1952 A 107 ILE HG2% A 102 PHE HE% 1.0 0.0 5.50 1971 1953 A 102 PHE H A 102 PHE HBy 1.0 0.0 5.50 1972 1954 A 102 PHE H A 102 PHE HBx 1.0 0.0 5.50 1973 1955 A 102 PHE HD% A 102 PHE H 1.0 0.0 5.50 1974 1956 A 102 PHE H A 104 GLY H 1.0 0.0 5.50 1975 1957 A 102 PHE H A 105 ARG H 1.0 0.0 5.50 1976 1958 A 102 PHE H A 107 ILE H 1.0 0.0 5.50 1977 1959 A 103 ARG HA A 103 ARG HBy 1.0 0.0 5.14 1978 1960 A 103 ARG HDy A 103 ARG HA 1.0 0.0 5.50 1979 1961 A 103 ARG HDx A 103 ARG HA 1.0 0.0 5.50 1980 1962 A 103 ARG HA A 103 ARG HE 1.0 0.0 5.50 1981 1963 A 103 ARG HA A 103 ARG HGx 1.0 0.0 5.38 1982 1964 A 103 ARG HA A 103 ARG HGy 1.0 0.0 4.99 1983 1965 A 103 ARG HH11 A 103 ARG HA 1.0 0.0 5.50 1984 1966 A 103 ARG HA A 104 GLY HAx 1.0 0.0 5.50 1985 1967 A 104 GLY H A 103 ARG HA 1.0 0.0 5.07 1986 1968 A 103 ARG HE A 103 ARG HBx 1.0 0.0 5.50 1987 1969 A 103 ARG HDx A 103 ARG HBy 1.0 0.0 5.50 1988 1970 A 103 ARG HBy A 103 ARG HE 1.0 0.0 5.50 1989 1971 A 103 ARG HBy A 103 ARG HGx 1.0 0.0 5.50 1990 1972 A 104 GLY H A 103 ARG HBy 1.0 0.0 5.50 1991 1973 A 103 ARG HDy A 103 ARG HE 1.0 0.0 5.40 1992 1974 A 103 ARG HH11 A 103 ARG HDy 1.0 0.0 5.02 1993 1975 A 103 ARG HDx A 103 ARG HE 1.0 0.0 5.21 1994 1976 A 103 ARG HH11 A 103 ARG HDx 1.0 0.0 5.32 1995 1977 A 103 ARG HDy A 103 ARG HGx 1.0 0.0 5.20 1996 1978 A 103 ARG HDx A 103 ARG HGx 1.0 0.0 5.20 1997 1979 A 103 ARG HE A 103 ARG HGx 1.0 0.0 5.50 1998 1980 A 103 ARG HH11 A 103 ARG HGx 1.0 0.0 5.50 1999 1981 A 104 GLY H A 103 ARG HGx 1.0 0.0 5.50 2000 1982 A 103 ARG HDy A 103 ARG HGy 1.0 0.0 5.11 2001 1983 A 103 ARG HDx A 103 ARG HGy 1.0 0.0 5.14 2002 1984 A 104 GLY H A 103 ARG HGy 1.0 0.0 5.50 2003 1985 A 103 ARG HH11 A 103 ARG HE 1.0 0.0 5.33 2004 1986 A 103 ARG HA A 103 ARG H 1.0 0.0 4.61 2005 1987 A 103 ARG H A 103 ARG HBx 1.0 0.0 5.50 2006 1988 A 103 ARG H A 103 ARG HBy 1.0 0.0 5.50 2007 1989 A 103 ARG H A 103 ARG HGx 1.0 0.0 5.50 2008 1990 A 103 ARG H A 103 ARG HGy 1.0 0.0 5.50 2009 1991 A 103 ARG H A 104 GLY HAx 1.0 0.0 5.50 2010 1992 A 104 GLY H A 103 ARG H 1.0 0.0 5.50 2011 1993 A 104 GLY HAx A 105 ARG H 1.0 0.0 5.34 2012 1994 A 104 GLY HAx A 105 ARG H 1.0 0.0 5.50 2013 1995 A 104 GLY H A 104 GLY HAx 1.0 0.0 4.43 2014 1996 A 104 GLY H A 104 GLY HAx 1.0 0.0 4.55 2015 1997 A 104 GLY H A 105 ARG H 1.0 0.0 5.25 2016 1998 A 106 THR H A 105 ARG HA 1.0 0.0 4.40 2017 1999 A 105 ARG HBx A 105 ARG HDy 1.0 0.0 5.50 2018 2000 A 105 ARG HBx A 105 ARG HDx 1.0 0.0 5.06 2019 2001 A 105 ARG HBx A 106 THR H 1.0 0.0 5.50 2020 2002 A 105 ARG HBy A 105 ARG HDy 1.0 0.0 5.50 2021 2003 A 105 ARG HBy A 105 ARG HDx 1.0 0.0 5.09 2022 2004 A 105 ARG HBy A 106 THR H 1.0 0.0 5.45 2023 2005 A 105 ARG HDy A 105 ARG HE 1.0 0.0 4.95 2024 2006 A 105 ARG HDx A 105 ARG HE 1.0 0.0 5.25 2025 2007 A 105 ARG HDx A 105 ARG HGy 1.0 0.0 4.51 2026 2008 A 105 ARG HGy A 105 ARG HE 1.0 0.0 5.50 2027 2009 A 105 ARG HGy A 106 THR H 1.0 0.0 5.50 2028 2010 A 105 ARG H A 105 ARG HA 1.0 0.0 5.06 2029 2011 A 105 ARG HBx A 105 ARG H 1.0 0.0 5.23 2030 2012 A 105 ARG HBy A 105 ARG H 1.0 0.0 5.40 2031 2013 A 105 ARG HDy A 105 ARG H 1.0 0.0 5.50 2032 2014 A 105 ARG HDx A 105 ARG H 1.0 0.0 5.50 2033 2015 A 105 ARG H A 105 ARG HGx 1.0 0.0 5.50 2034 2016 A 105 ARG HGy A 105 ARG H 1.0 0.0 5.14 2035 2017 A 106 THR H A 105 ARG H 1.0 0.0 5.50 2036 2018 A 106 THR HB A 106 THR HA 1.0 0.0 5.26 2037 2019 A 106 THR HG2% A 106 THR HA 1.0 0.0 4.20 2038 2020 A 107 ILE HD1% A 106 THR HA 1.0 0.0 5.50 2039 2021 A 106 THR HA A 107 ILE H 1.0 0.0 5.03 2040 2022 A 106 THR HB A 106 THR HG2% 1.0 0.0 3.81 2041 2023 A 106 THR HB A 107 ILE H 1.0 0.0 5.50 2042 2024 A 106 THR HG2% A 107 ILE H 1.0 0.0 4.83 2043 2025 A 106 THR H A 106 THR HA 1.0 0.0 5.50 2044 2026 A 106 THR HB A 106 THR H 1.0 0.0 4.65 2045 2027 A 106 THR HG2% A 106 THR H 1.0 0.0 4.66 2046 2028 A 107 ILE HB A 107 ILE HA 1.0 0.0 5.02 2047 2029 A 107 ILE HD1% A 107 ILE HA 1.0 0.0 5.50 2048 2030 A 107 ILE HG2% A 107 ILE HA 1.0 0.0 4.66 2049 2031 A 108 LYS H A 107 ILE HA 1.0 0.0 5.07 2050 2032 A 107 ILE HB A 107 ILE HD1% 1.0 0.0 4.70 2051 2033 A 107 ILE HB A 107 ILE HG2% 1.0 0.0 4.60 2052 2034 A 107 ILE HB A 108 LYS H 1.0 0.0 5.39 2053 2035 A 107 ILE HD1% A 108 LYS H 1.0 0.0 5.50 2054 2036 A 107 ILE HD1% A 107 ILE HG13 1.0 0.0 4.66 2055 2037 A 107 ILE HD1% A 107 ILE HG12 1.0 0.0 4.63 2056 2038 A 107 ILE HD1% A 107 ILE HG2% 1.0 0.0 4.15 2057 2039 A 107 ILE HG2% A 108 LYS H 1.0 0.0 5.46 2058 2040 A 107 ILE HA A 107 ILE H 1.0 0.0 5.50 2059 2041 A 107 ILE HD1% A 107 ILE H 1.0 0.0 5.50 2060 2042 A 107 ILE HG2% A 107 ILE H 1.0 0.0 5.48 2061 2043 A 108 LYS H A 107 ILE H 1.0 0.0 5.50 2062 2044 A 108 LYS HB3 A 108 LYS HA 1.0 0.0 5.02 2063 2045 A 108 LYS HD2 A 108 LYS HA 1.0 0.0 4.76 2064 2046 A 108 LYS HA A 108 LYS HEy 1.0 0.0 5.50 2065 2047 A 108 LYS HA A 108 LYS HEx 1.0 0.0 5.50 2066 2048 A 108 LYS HGx A 108 LYS HA 1.0 0.0 5.50 2067 2049 A 108 LYS HGy A 108 LYS HA 1.0 0.0 5.50 2068 2050 A 108 LYS HA A 109 VAL H 1.0 0.0 4.83 2069 2051 A 108 LYS HB3 A 108 LYS HEy 1.0 0.0 4.93 2070 2052 A 108 LYS HB3 A 108 LYS HGx 1.0 0.0 4.88 2071 2053 A 108 LYS HB3 A 109 VAL H 1.0 0.0 5.50 2072 2054 A 108 LYS HD2 A 108 LYS HEy 1.0 0.0 4.34 2073 2055 A 108 LYS HD2 A 108 LYS HEx 1.0 0.0 4.29 2074 2056 A 108 LYS HD2 A 109 VAL H 1.0 0.0 5.37 2075 2057 A 110 LEU HDx% A 108 LYS HD2 1.0 0.0 4.91 2076 2058 A 110 LEU HDx% A 108 LYS HEy 1.0 0.0 5.50 2077 2059 A 110 LEU HDy% A 108 LYS HEy 1.0 0.0 5.50 2078 2060 A 110 LEU HDx% A 108 LYS HEx 1.0 0.0 5.50 2079 2061 A 110 LEU HDy% A 108 LYS HEx 1.0 0.0 5.30 2080 2062 A 108 LYS HD2 A 108 LYS HGx 1.0 0.0 4.28 2081 2063 A 108 LYS HGx A 109 VAL H 1.0 0.0 5.50 2082 2064 A 110 LEU HDx% A 108 LYS HGx 1.0 0.0 5.50 2083 2065 A 108 LYS HD2 A 108 LYS HGy 1.0 0.0 4.09 2084 2066 A 108 LYS HGy A 108 LYS HEy 1.0 0.0 5.02 2085 2067 A 108 LYS H A 108 LYS HA 1.0 0.0 5.50 2086 2068 A 108 LYS HB3 A 108 LYS H 1.0 0.0 5.47 2087 2069 A 108 LYS HD2 A 108 LYS H 1.0 0.0 5.50 2088 2070 A 108 LYS HGx A 108 LYS H 1.0 0.0 5.50 2089 2071 A 108 LYS HGy A 108 LYS H 1.0 0.0 5.50 2090 2072 A 108 LYS H A 109 VAL H 1.0 0.0 5.50 2091 2073 A 109 VAL HB A 109 VAL HA 1.0 0.0 5.50 2092 2074 A 109 VAL HA A 109 VAL HGx% 1.0 0.0 4.89 2093 2075 A 109 VAL HA A 109 VAL HGy% 1.0 0.0 4.87 2094 2076 A 110 LEU H A 109 VAL HA 1.0 0.0 4.92 2095 2077 A 109 VAL HB A 109 VAL HGx% 1.0 0.0 3.97 2096 2078 A 109 VAL HB A 109 VAL HGy% 1.0 0.0 4.41 2097 2079 A 110 LEU H A 109 VAL HB 1.0 0.0 5.50 2098 2080 A 110 LEU H A 109 VAL HGx% 1.0 0.0 5.50 2099 2081 A 110 LEU H A 109 VAL HGy% 1.0 0.0 5.16 2100 2082 A 109 VAL HA A 109 VAL H 1.0 0.0 5.50 2101 2083 A 109 VAL HB A 109 VAL H 1.0 0.0 5.33 2102 2084 A 109 VAL HGx% A 109 VAL H 1.0 0.0 5.39 2103 2085 A 109 VAL HGy% A 109 VAL H 1.0 0.0 5.50 2104 2086 A 110 LEU HA A 110 LEU HB2 1.0 0.0 5.50 2105 2087 A 110 LEU HDx% A 110 LEU HA 1.0 0.0 5.29 2106 2088 A 110 LEU HDy% A 110 LEU HA 1.0 0.0 3.91 2107 2089 A 110 LEU HG A 110 LEU HA 1.0 0.0 5.34 2108 2090 A 111 PRO HDx A 110 LEU HA 1.0 0.0 4.98 2109 2091 A 111 PRO HDy A 110 LEU HA 1.0 0.0 4.94 2110 2092 A 111 PRO HGy A 110 LEU HA 1.0 0.0 5.50 2111 2093 A 111 PRO HGx A 110 LEU HA 1.0 0.0 5.50 2112 2094 A 110 LEU HDx% A 110 LEU HB2 1.0 0.0 5.30 2113 2095 A 110 LEU HDy% A 110 LEU HB2 1.0 0.0 5.34 2114 2096 A 110 LEU HDx% A 110 LEU HDy% 1.0 0.0 3.41 2115 2097 A 110 LEU HDx% A 111 PRO HDx 1.0 0.0 5.50 2116 2098 A 110 LEU HDx% B 21 GLY HAy 1.0 0.0 5.30 2117 2099 A 110 LEU HDx% B 22 PRO HDy 1.0 0.0 5.50 2118 2100 A 110 LEU HDx% B 22 PRO HDx 1.0 0.0 5.27 2119 2101 A 110 LEU HDy% A 111 PRO HDx 1.0 0.0 4.45 2120 2102 A 110 LEU HDy% A 111 PRO HDy 1.0 0.0 4.58 2121 2103 A 110 LEU HDy% A 111 PRO HGy 1.0 0.0 4.71 2122 2104 A 110 LEU HDy% A 111 PRO HGx 1.0 0.0 4.43 2123 2105 A 110 LEU HDx% A 110 LEU HG 1.0 0.0 3.87 2124 2106 A 110 LEU H A 110 LEU HA 1.0 0.0 5.50 2125 2107 A 110 LEU H A 110 LEU HB2 1.0 0.0 5.50 2126 2108 A 110 LEU H A 110 LEU HDx% 1.0 0.0 5.18 2127 2109 A 110 LEU H A 110 LEU HDy% 1.0 0.0 5.37 2128 2110 A 110 LEU H A 110 LEU HG 1.0 0.0 5.50 2129 2111 A 110 LEU H A 111 PRO HDy 1.0 0.0 5.50 2130 2112 A 111 PRO HA A 111 PRO HGy 1.0 0.0 5.50 2131 2113 A 112 LYS HBx A 111 PRO HA 1.0 0.0 5.50 2132 2114 A 111 PRO HA A 112 LYS H 1.0 0.0 5.05 2133 2115 A 111 PRO HBx A 112 LYS H 1.0 0.0 5.50 2134 2116 A 111 PRO HBy A 111 PRO HGy 1.0 0.0 4.53 2135 2117 A 111 PRO HBy A 112 LYS H 1.0 0.0 5.50 2136 2118 A 111 PRO HBy A 111 PRO HDx 1.0 0.0 5.50 2137 2119 A 111 PRO HDx A 111 PRO HGy 1.0 0.0 4.69 2138 2120 A 111 PRO HBy A 111 PRO HDy 1.0 0.0 5.50 2139 2121 A 111 PRO HDy A 111 PRO HGy 1.0 0.0 4.78 2140 2122 A 111 PRO HA A 111 PRO HGx 1.0 0.0 5.20 2141 2123 A 111 PRO HBy A 111 PRO HGx 1.0 0.0 3.70 2142 2124 A 111 PRO HDy A 111 PRO HGx 1.0 0.0 4.62 2143 2125 A 112 LYS HBy A 112 LYS HA 1.0 0.0 5.43 2144 2126 A 112 LYS HBx A 112 LYS HA 1.0 0.0 5.50 2145 2127 A 112 LYS HA A 112 LYS HEx 1.0 0.0 5.50 2146 2128 A 112 LYS HEy A 112 LYS HA 1.0 0.0 5.50 2147 2129 A 112 LYS HA A 112 LYS HGy 1.0 0.0 5.50 2148 2130 A 112 LYS HA A 112 LYS HGx 1.0 0.0 5.50 2149 2131 A 112 LYS HA A 113 ARG H 1.0 0.0 4.77 2150 2132 A 112 LYS HEx A 112 LYS HGy 1.0 0.0 4.79 2151 2133 A 112 LYS HEy A 112 LYS HGy 1.0 0.0 4.63 2152 2134 A 112 LYS HA A 112 LYS H 1.0 0.0 5.25 2153 2135 A 112 LYS HBy A 112 LYS H 1.0 0.0 5.21 2154 2136 A 112 LYS HBx A 112 LYS H 1.0 0.0 5.28 2155 2137 A 112 LYS H A 112 LYS HGx 1.0 0.0 5.50 2156 2138 A 113 ARG HA A 113 ARG HBy 1.0 0.0 4.35 2157 2139 A 113 ARG HA A 113 ARG HBx 1.0 0.0 4.41 2158 2140 A 113 ARG HA A 113 ARG HD2 1.0 0.0 4.66 2159 2141 A 113 ARG HA A 113 ARG HG2 1.0 0.0 4.33 2160 2142 A 113 ARG HA A 114 THR H 1.0 0.0 4.03 2161 2143 A 113 ARG HBy A 114 THR H 1.0 0.0 5.12 2162 2144 A 113 ARG HD2 A 114 THR H 1.0 0.0 5.50 2163 2145 A 113 ARG H A 113 ARG HA 1.0 0.0 5.14 2164 2146 A 114 THR HA A 114 THR HG2% 1.0 0.0 3.32 2165 2147 A 114 THR HA A 115 ASN H 1.0 0.0 4.26 2166 2148 A 115 ASN H A 114 THR HB 1.0 0.0 5.21 2167 2149 A 114 THR HG2% A 115 ASN H 1.0 0.0 5.34 2168 2150 A 114 THR H A 114 THR HA 1.0 0.0 4.78 2169 2151 A 114 THR H A 114 THR HB 1.0 0.0 4.77 2170 2152 A 114 THR H A 114 THR HG2% 1.0 0.0 4.49 2171 2153 A 114 THR H A 115 ASN HB2 1.0 0.0 5.50 2172 2154 A 114 THR H A 115 ASN H 1.0 0.0 5.30 2173 2155 A 115 ASN HB2 A 115 ASN HA 1.0 0.0 4.19 2174 2156 A 115 ASN HB3 A 115 ASN HD2y 1.0 0.0 5.48 2175 2157 A 115 ASN HB3 A 115 ASN HD2x 1.0 0.0 5.50 2176 2158 A 115 ASN HB3 A 116 MET H 1.0 0.0 5.50 2177 2159 A 115 ASN HB2 A 115 ASN HD2y 1.0 0.0 5.35 2178 2160 A 115 ASN HB2 A 115 ASN HD2x 1.0 0.0 5.50 2179 2161 A 115 ASN HB2 A 116 MET H 1.0 0.0 5.50 2180 2162 A 115 ASN H A 115 ASN HA 1.0 0.0 4.35 2181 2163 A 115 ASN H A 115 ASN HB3 1.0 0.0 5.29 2182 2164 A 115 ASN H A 115 ASN HB2 1.0 0.0 4.71 2183 2165 A 115 ASN H A 116 MET H 1.0 0.0 4.70 2184 2166 A 117 PRO HBy A 118 GLY H 1.0 0.0 5.41 2185 2167 A 117 PRO HBy A 117 PRO HBx 1.0 0.0 3.05 2186 2168 A 118 GLY H A 117 PRO HBx 1.0 0.0 5.28 2187 2169 A 118 GLY H A 118 GLY HAy 1.0 0.0 3.90 2188 2170 A 118 GLY H A 118 GLY HAy 1.0 0.0 4.02 2189 2171 A 118 GLY H A 119 ILE H 1.0 0.0 5.29 2190 2172 A 119 ILE HA A 119 ILE HD1% 1.0 0.0 5.22 2191 2173 A 119 ILE HA A 119 ILE HG13 1.0 0.0 5.22 2192 2174 A 119 ILE HA A 119 ILE HG12 1.0 0.0 5.50 2193 2175 A 119 ILE HA A 119 ILE HG2% 1.0 0.0 4.30 2194 2176 A 119 ILE HA A 120 SER H 1.0 0.0 4.06 2195 2177 A 119 ILE HD1% A 119 ILE HB 1.0 0.0 4.66 2196 2178 A 119 ILE HG13 A 119 ILE HB 1.0 0.0 4.67 2197 2179 A 119 ILE HG12 A 119 ILE HB 1.0 0.0 5.07 2198 2180 A 119 ILE HD1% A 119 ILE HG13 1.0 0.0 4.56 2199 2181 A 119 ILE HD1% A 119 ILE HG12 1.0 0.0 4.11 2200 2182 A 119 ILE HG2% A 119 ILE HB 1.0 0.0 4.09 2201 2183 A 119 ILE H A 119 ILE HA 1.0 0.0 4.74 2202 2184 A 119 ILE H A 119 ILE HB 1.0 0.0 4.26 2203 2185 A 119 ILE H A 119 ILE HG13 1.0 0.0 5.10 2204 2186 A 119 ILE H A 119 ILE HG12 1.0 0.0 4.74 2205 2187 A 119 ILE H A 119 ILE HG2% 1.0 0.0 5.01 2206 2188 A 119 ILE H A 120 SER H 1.0 0.0 4.59 2207 2189 A 120 SER HA A 120 SER HB2 1.0 0.0 4.04 2208 2190 A 120 SER H A 120 SER HA 1.0 0.0 4.54 2209 2191 A 120 SER H A 120 SER HB2 1.0 0.0 4.36 2210 2192 A 121 SER HA A 122 THR H 1.0 0.0 4.31 2211 2193 A 121 SER HA A 121 SER H 1.0 0.0 5.50 2212 2194 A 123 ASP HA A 123 ASP HB2 1.0 0.0 4.46 2213 2195 A 123 ASP HA A 124 ARG H 1.0 0.0 4.12 2214 2196 A 123 ASP HB2 A 124 ARG H 1.0 0.0 5.37 2215 2197 A 123 ASP HB2 A 123 ASP H 1.0 0.0 5.24 2216 2198 B 2 ILE HA B 2 ILE HB 1.0 0.0 4.07 2217 2199 B 2 ILE HA B 3 ALA H 1.0 0.0 4.32 2218 2200 B 2 ILE HB B 2 ILE H 1.0 0.0 5.50 2219 2201 B 4 PRO HA B 5 CYS H 1.0 0.0 5.50 2220 2202 B 5 CYS HA B 6 MET H 1.0 0.0 4.87 2221 2203 B 6 MET HA B 6 MET HBx 1.0 0.0 4.76 2222 2204 B 7 GLN HA B 7 GLN HBx 1.0 0.0 5.44 2223 2205 B 7 GLN HA B 8 THR H 1.0 0.0 4.52 2224 2206 B 7 GLN HBx B 7 GLN H 1.0 0.0 5.50 2225 2207 B 8 THR HA B 9 THR H 1.0 0.0 4.56 2226 2208 B 9 THR H B 8 THR HB 1.0 0.0 5.14 2227 2209 B 9 THR H B 9 THR HA 1.0 0.0 5.33 2228 2210 B 9 THR H B 9 THR HB 1.0 0.0 5.50 2229 2211 B 11 SER HA B 12 LYS H 1.0 0.0 4.43 2230 2212 B 12 LYS HA B 12 LYS HGx 1.0 0.0 4.83 2231 2213 B 12 LYS HA B 13 MET H 1.0 0.0 4.40 2232 2214 B 13 MET H B 12 LYS HBx 1.0 0.0 5.45 2233 2215 B 12 LYS H B 12 LYS HGx 1.0 0.0 5.50 2234 2216 B 13 MET HA B 13 MET HBx 1.0 0.0 4.19 2235 2217 B 13 MET HA B 14 THR H 1.0 0.0 4.03 2236 2218 B 13 MET H B 13 MET HA 1.0 0.0 4.59 2237 2219 B 14 THR HA B 15 ALA H 1.0 0.0 3.94 2238 2220 B 15 ALA H B 14 THR HG21 1.0 0.0 5.50 2239 2221 B 14 THR H B 14 THR HA 1.0 0.0 4.94 2240 2222 B 15 ALA HA B 16 GLY H 1.0 0.0 3.84 2241 2223 B 15 ALA HB1 B 17 ALA H 1.0 0.0 5.50 2242 2224 B 16 GLY HAy B 17 ALA HB1 1.0 0.0 5.50 2243 2225 B 17 ALA H B 16 GLY HAy 1.0 0.0 3.90 2244 2226 B 16 GLY H B 16 GLY HAy 1.0 0.0 3.94 2245 2227 B 16 GLY H B 17 ALA HA 1.0 0.0 5.50 2246 2228 B 17 ALA HB1 B 17 ALA HA 1.0 0.0 3.70 2247 2229 B 17 ALA HA B 18 TYR H 1.0 0.0 4.14 2248 2230 B 17 ALA HB1 B 18 TYR HA 1.0 0.0 5.50 2249 2231 B 17 ALA H B 17 ALA HA 1.0 0.0 4.54 2250 2232 B 17 ALA H B 17 ALA HB1 1.0 0.0 3.89 2251 2233 B 18 TYR HA B 18 TYR HBy 1.0 0.0 4.24 2252 2234 B 18 TYR HA B 18 TYR HBx 1.0 0.0 4.28 2253 2235 B 18 TYR HA B 19 THR H 1.0 0.0 3.82 2254 2236 B 18 TYR HBy B 18 TYR HDy 1.0 0.0 4.56 2255 2237 B 18 TYR HBy B 19 THR H 1.0 0.0 5.50 2256 2238 B 18 TYR HBx B 18 TYR HDy 1.0 0.0 4.61 2257 2239 B 18 TYR HBx B 19 THR H 1.0 0.0 5.50 2258 2240 B 18 TYR H B 18 TYR HA 1.0 0.0 4.42 2259 2241 B 18 TYR H B 18 TYR HBy 1.0 0.0 5.20 2260 2242 B 18 TYR H B 18 TYR HBx 1.0 0.0 5.22 2261 2243 B 19 THR HA B 20 GLU H 1.0 0.0 4.04 2262 2244 B 20 GLU H B 19 THR HG21 1.0 0.0 5.50 2263 2245 B 21 GLY H B 19 THR HG21 1.0 0.0 5.50 2264 2246 B 19 THR H B 19 THR HA 1.0 0.0 4.63 2265 2247 B 19 THR H B 19 THR HG21 1.0 0.0 4.57 2266 2248 B 20 GLU HA B 20 GLU HBy 1.0 0.0 4.39 2267 2249 B 20 GLU HA B 20 GLU HBx 1.0 0.0 4.20 2268 2250 B 20 GLU HA B 20 GLU HGx 1.0 0.0 4.30 2269 2251 B 21 GLY HAy B 20 GLU HA 1.0 0.0 5.50 2270 2252 B 20 GLU HA B 21 GLY H 1.0 0.0 3.84 2271 2253 B 20 GLU HBy B 20 GLU HBx 1.0 0.0 3.13 2272 2254 B 20 GLU HBy B 20 GLU HGx 1.0 0.0 3.68 2273 2255 B 20 GLU HBy B 21 GLY H 1.0 0.0 5.31 2274 2256 B 20 GLU HBx B 20 GLU HGx 1.0 0.0 3.23 2275 2257 B 20 GLU HBx B 21 GLY H 1.0 0.0 5.21 2276 2258 B 20 GLU HGx B 21 GLY H 1.0 0.0 5.46 2277 2259 B 20 GLU HA B 20 GLU H 1.0 0.0 4.73 2278 2260 B 20 GLU HBy B 20 GLU H 1.0 0.0 4.47 2279 2261 B 20 GLU HBx B 20 GLU H 1.0 0.0 4.79 2280 2262 B 20 GLU HGx B 20 GLU H 1.0 0.0 4.83 2281 2263 B 21 GLY HAy B 22 PRO HDy 1.0 0.0 4.08 2282 2264 B 21 GLY HAy B 22 PRO HDx 1.0 0.0 4.38 2283 2265 B 21 GLY HAy B 21 GLY H 1.0 0.0 4.05 2284 2266 B 21 GLY H B 22 PRO HDy 1.0 0.0 5.50 2285 2267 B 22 PRO HDx B 21 GLY H 1.0 0.0 5.50 2286 2268 B 22 PRO HA B 22 PRO HBy 1.0 0.0 4.75 2287 2269 B 22 PRO HBx B 22 PRO HA 1.0 0.0 4.61 2288 2270 B 22 PRO HDx B 22 PRO HA 1.0 0.0 5.50 2289 2271 B 22 PRO HGy B 22 PRO HA 1.0 0.0 4.87 2290 2272 B 23 PRO HDy B 22 PRO HA 1.0 0.0 4.64 2291 2273 B 23 PRO HDx B 22 PRO HA 1.0 0.0 4.42 2292 2274 B 22 PRO HDy B 22 PRO HBy 1.0 0.0 4.59 2293 2275 B 22 PRO HBx B 22 PRO HDy 1.0 0.0 4.75 2294 2276 B 22 PRO HDy B 22 PRO HGx 1.0 0.0 4.64 2295 2277 B 22 PRO HDx B 22 PRO HBy 1.0 0.0 5.50 2296 2278 B 22 PRO HBx B 22 PRO HDx 1.0 0.0 5.50 2297 2279 B 22 PRO HDx B 22 PRO HGy 1.0 0.0 4.78 2298 2280 B 22 PRO HDx B 22 PRO HGx 1.0 0.0 4.43 2299 2281 B 22 PRO HGy B 22 PRO HGx 1.0 0.0 3.63 2300 2282 B 22 PRO HA B 22 PRO HGx 1.0 0.0 5.50 2301 2283 B 23 PRO HBy B 23 PRO HA 1.0 0.0 3.89 2302 2284 B 23 PRO HBx B 23 PRO HA 1.0 0.0 3.97 2303 2285 B 23 PRO HGx B 23 PRO HA 1.0 0.0 4.77 2304 2286 B 23 PRO HA B 24 GLN HGx 1.0 0.0 4.92 2305 2287 B 23 PRO HA B 24 GLN H 1.0 0.0 3.70 2306 2288 B 23 PRO HBy B 23 PRO HGx 1.0 0.0 4.14 2307 2289 B 23 PRO HBy B 24 GLN H 1.0 0.0 4.81 2308 2290 B 23 PRO HBy B 23 PRO HBx 1.0 0.0 3.24 2309 2291 B 23 PRO HBx B 24 GLN H 1.0 0.0 4.01 2310 2292 B 23 PRO HBx B 26 LEU HD11 1.0 0.0 4.87 2311 2293 B 23 PRO HDx B 23 PRO HA 1.0 0.0 5.50 2312 2294 B 23 PRO HDx B 23 PRO HBy 1.0 0.0 5.10 2313 2295 B 23 PRO HDx B 23 PRO HBx 1.0 0.0 4.98 2314 2296 B 23 PRO HDx B 23 PRO HGx 1.0 0.0 3.76 2315 2297 B 23 PRO HGx B 24 GLN H 1.0 0.0 5.50 2316 2298 B 24 GLN HA B 24 GLN HBy 1.0 0.0 4.42 2317 2299 B 24 GLN HA B 24 GLN HBx 1.0 0.0 4.30 2318 2300 B 24 GLN HGx B 24 GLN HA 1.0 0.0 4.17 2319 2301 B 24 GLN HA B 25 PRO HDy 1.0 0.0 3.81 2320 2302 B 24 GLN HA B 25 PRO HDx 1.0 0.0 3.91 2321 2303 B 24 GLN HA B 25 PRO HGx 1.0 0.0 5.10 2322 2304 B 24 GLN HBy B 24 GLN HBx 1.0 0.0 3.29 2323 2305 B 24 GLN HGx B 24 GLN HBy 1.0 0.0 3.48 2324 2306 B 24 GLN HBy B 25 PRO HDx 1.0 0.0 4.85 2325 2307 B 24 GLN HGx B 24 GLN HBx 1.0 0.0 3.56 2326 2308 B 24 GLN HBx B 25 PRO HDx 1.0 0.0 4.63 2327 2309 B 24 GLN HGx B 24 GLN HE2x 1.0 0.0 4.92 2328 2310 B 24 GLN HGx B 24 GLN HE2y 1.0 0.0 5.23 2329 2311 B 24 GLN HGx B 25 PRO HDy 1.0 0.0 4.96 2330 2312 B 24 GLN HGx B 25 PRO HDx 1.0 0.0 4.68 2331 2313 B 24 GLN H B 24 GLN HA 1.0 0.0 4.75 2332 2314 B 24 GLN H B 24 GLN HBy 1.0 0.0 4.37 2333 2315 B 24 GLN H B 24 GLN HBx 1.0 0.0 4.63 2334 2316 B 24 GLN HGx B 24 GLN H 1.0 0.0 4.19 2335 2317 B 24 GLN H B 25 PRO HDy 1.0 0.0 5.50 2336 2318 B 24 GLN H B 25 PRO HDx 1.0 0.0 5.50 2337 2319 B 25 PRO HA B 25 PRO HBy 1.0 0.0 3.57 2338 2320 B 25 PRO HA B 25 PRO HGy 1.0 0.0 4.63 2339 2321 B 25 PRO HA B 26 LEU H 1.0 0.0 3.89 2340 2322 B 25 PRO HA B 31 LYS HEx 1.0 0.0 5.50 2341 2323 B 25 PRO HBy B 26 LEU H 1.0 0.0 4.95 2342 2324 B 25 PRO HBy B 25 PRO HBx 1.0 0.0 3.28 2343 2325 B 25 PRO HDx B 25 PRO HBx 1.0 0.0 4.41 2344 2326 B 25 PRO HBx B 26 LEU HA 1.0 0.0 5.50 2345 2327 B 25 PRO HDy B 25 PRO HA 1.0 0.0 5.50 2346 2328 B 25 PRO HDy B 25 PRO HBy 1.0 0.0 4.64 2347 2329 B 25 PRO HDx B 25 PRO HA 1.0 0.0 5.50 2348 2330 B 25 PRO HDx B 25 PRO HBy 1.0 0.0 4.87 2349 2331 B 25 PRO HGx B 26 LEU H 1.0 0.0 5.50 2350 2332 B 26 LEU HA B 26 LEU HBy 1.0 0.0 4.65 2351 2333 B 26 LEU HA B 26 LEU HBx 1.0 0.0 4.74 2352 2334 B 26 LEU HD11 B 26 LEU HA 1.0 0.0 4.70 2353 2335 B 26 LEU HA B 26 LEU HD21 1.0 0.0 3.58 2354 2336 B 26 LEU HA B 26 LEU HG 1.0 0.0 4.64 2355 2337 B 26 LEU HA B 27 SER H 1.0 0.0 4.27 2356 2338 B 26 LEU HD11 B 26 LEU HBy 1.0 0.0 3.89 2357 2339 B 26 LEU HBy B 26 LEU HD21 1.0 0.0 4.20 2358 2340 B 26 LEU HBy B 27 SER H 1.0 0.0 5.50 2359 2341 B 26 LEU HBy B 30 GLU HBy 1.0 0.0 5.50 2360 2342 B 26 LEU HBy B 30 GLU HBx 1.0 0.0 5.50 2361 2343 B 26 LEU HBy B 30 GLU HGx 1.0 0.0 5.50 2362 2344 B 26 LEU HD11 B 26 LEU HBx 1.0 0.0 3.95 2363 2345 B 26 LEU HBx B 26 LEU HD21 1.0 0.0 4.00 2364 2346 B 26 LEU HBx B 27 SER H 1.0 0.0 5.31 2365 2347 B 26 LEU HBx B 30 GLU HBy 1.0 0.0 5.50 2366 2348 B 26 LEU HBx B 30 GLU HBx 1.0 0.0 5.33 2367 2349 B 26 LEU HD11 B 30 GLU HBy 1.0 0.0 5.31 2368 2350 B 26 LEU HD11 B 30 GLU HBx 1.0 0.0 5.06 2369 2351 B 26 LEU HD11 B 30 GLU HGx 1.0 0.0 5.50 2370 2352 B 26 LEU HD11 B 31 LYS HA 1.0 0.0 5.04 2371 2353 B 26 LEU HD11 B 31 LYS HEx 1.0 0.0 5.50 2372 2354 B 26 LEU HD11 B 31 LYS HGx 1.0 0.0 4.71 2373 2355 B 26 LEU HD21 B 27 SER H 1.0 0.0 5.19 2374 2356 B 26 LEU HD21 B 30 GLU HA 1.0 0.0 5.50 2375 2357 B 26 LEU HD21 B 30 GLU HBy 1.0 0.0 4.77 2376 2358 B 26 LEU HD21 B 30 GLU HBx 1.0 0.0 4.53 2377 2359 B 26 LEU HD21 B 30 GLU HGy 1.0 0.0 4.91 2378 2360 B 26 LEU HD21 B 30 GLU HGx 1.0 0.0 4.89 2379 2361 B 26 LEU HD21 B 31 LYS HA 1.0 0.0 5.50 2380 2362 B 26 LEU HD21 B 31 LYS HDy 1.0 0.0 4.53 2381 2363 B 31 LYS HEx B 26 LEU HD21 1.0 0.0 4.98 2382 2364 B 26 LEU HD21 B 31 LYS HGx 1.0 0.0 4.94 2383 2365 B 26 LEU HD21 B 31 LYS H 1.0 0.0 5.50 2384 2366 B 26 LEU HD21 B 34 ILE HG1x 1.0 0.0 4.87 2385 2367 B 26 LEU HD11 B 26 LEU HG 1.0 0.0 3.95 2386 2368 B 26 LEU HD21 B 26 LEU HG 1.0 0.0 3.78 2387 2369 B 26 LEU H B 26 LEU HA 1.0 0.0 5.14 2388 2370 B 26 LEU H B 26 LEU HBy 1.0 0.0 4.67 2389 2371 B 26 LEU H B 26 LEU HBx 1.0 0.0 5.32 2390 2372 B 26 LEU HD11 B 26 LEU H 1.0 0.0 5.09 2391 2373 B 26 LEU H B 26 LEU HD21 1.0 0.0 4.89 2392 2374 B 26 LEU H B 26 LEU HG 1.0 0.0 4.61 2393 2375 B 26 LEU H B 27 SER H 1.0 0.0 5.50 2394 2376 B 27 SER HA B 27 SER HBy 1.0 0.0 4.59 2395 2377 B 27 SER HA B 27 SER HBx 1.0 0.0 4.27 2396 2378 B 27 SER HA B 28 ALA HB1 1.0 0.0 4.68 2397 2379 B 27 SER HA B 28 ALA H 1.0 0.0 4.22 2398 2380 B 27 SER HA B 29 GLU H 1.0 0.0 5.50 2399 2381 B 27 SER HA B 30 GLU H 1.0 0.0 5.50 2400 2382 B 27 SER HBy B 28 ALA HB1 1.0 0.0 5.50 2401 2383 B 27 SER HBy B 28 ALA H 1.0 0.0 5.00 2402 2384 B 27 SER HBy B 29 GLU HBx 1.0 0.0 5.50 2403 2385 B 27 SER HBy B 29 GLU H 1.0 0.0 5.27 2404 2386 B 30 GLU HBy B 27 SER HBy 1.0 0.0 5.50 2405 2387 B 30 GLU HGx B 27 SER HBy 1.0 0.0 5.50 2406 2388 B 27 SER HBy B 30 GLU H 1.0 0.0 5.50 2407 2389 B 27 SER HBx B 28 ALA HB1 1.0 0.0 5.50 2408 2390 B 27 SER HBx B 28 ALA H 1.0 0.0 5.37 2409 2391 B 27 SER HBx B 29 GLU HBx 1.0 0.0 5.50 2410 2392 B 27 SER HBx B 29 GLU H 1.0 0.0 5.50 2411 2393 B 30 GLU HGx B 27 SER HBx 1.0 0.0 5.50 2412 2394 B 27 SER HBx B 30 GLU H 1.0 0.0 5.50 2413 2395 B 27 SER H B 27 SER HA 1.0 0.0 4.87 2414 2396 B 27 SER H B 27 SER HBx 1.0 0.0 5.25 2415 2397 B 27 SER H B 30 GLU HBy 1.0 0.0 5.41 2416 2398 B 27 SER H B 30 GLU HBx 1.0 0.0 5.50 2417 2399 B 27 SER H B 30 GLU HGx 1.0 0.0 5.50 2418 2400 B 27 SER H B 30 GLU H 1.0 0.0 5.50 2419 2401 B 28 ALA HB1 B 28 ALA HA 1.0 0.0 3.52 2420 2402 B 29 GLU H B 28 ALA HA 1.0 0.0 5.50 2421 2403 B 30 GLU H B 28 ALA HA 1.0 0.0 5.50 2422 2404 B 28 ALA HA B 31 LYS HBy 1.0 0.0 5.00 2423 2405 B 28 ALA HA B 31 LYS HBx 1.0 0.0 4.82 2424 2406 B 31 LYS HDy B 28 ALA HA 1.0 0.0 4.74 2425 2407 B 31 LYS HEx B 28 ALA HA 1.0 0.0 5.50 2426 2408 B 31 LYS H B 28 ALA HA 1.0 0.0 5.50 2427 2409 B 28 ALA HA B 32 LYS H 1.0 0.0 4.60 2428 2410 B 28 ALA HB1 B 29 GLU H 1.0 0.0 4.48 2429 2411 B 28 ALA HB1 B 30 GLU H 1.0 0.0 5.50 2430 2412 B 28 ALA HB1 B 32 LYS HEy 1.0 0.0 5.50 2431 2413 B 28 ALA HB1 B 32 LYS H 1.0 0.0 5.50 2432 2414 B 28 ALA H B 28 ALA HA 1.0 0.0 4.49 2433 2415 B 28 ALA HB1 B 28 ALA H 1.0 0.0 4.15 2434 2416 B 28 ALA H B 29 GLU H 1.0 0.0 5.11 2435 2417 B 28 ALA H B 30 GLU H 1.0 0.0 5.50 2436 2418 B 32 LYS H B 28 ALA O 1.0 0.0 2.40 2437 2419 B 29 GLU HBx B 29 GLU HA 1.0 0.0 3.95 2438 2420 B 29 GLU HA B 29 GLU HGy 1.0 0.0 4.13 2439 2421 B 30 GLU H B 29 GLU HA 1.0 0.0 4.73 2440 2422 B 29 GLU HA B 32 LYS HDx 1.0 0.0 4.26 2441 2423 B 30 GLU H B 29 GLU HBx 1.0 0.0 5.35 2442 2424 B 30 GLU H B 29 GLU HGx 1.0 0.0 5.43 2443 2425 B 29 GLU HGx B 32 LYS HEx 1.0 0.0 5.50 2444 2426 B 29 GLU H B 29 GLU HA 1.0 0.0 4.33 2445 2427 B 29 GLU H B 29 GLU HBx 1.0 0.0 4.26 2446 2428 B 29 GLU H B 29 GLU HGy 1.0 0.0 5.42 2447 2429 B 29 GLU H B 29 GLU HGx 1.0 0.0 5.27 2448 2430 B 29 GLU H B 30 GLU H 1.0 0.0 5.07 2449 2431 B 29 GLU H B 32 LYS H 1.0 0.0 5.50 2450 2432 B 29 GLU O B 33 GLU H 1.0 0.0 2.40 2451 2433 B 30 GLU HBx B 30 GLU HA 1.0 0.0 4.44 2452 2434 B 30 GLU HA B 30 GLU HGy 1.0 0.0 4.47 2453 2435 B 30 GLU HGx B 30 GLU HA 1.0 0.0 4.15 2454 2436 B 30 GLU HA B 31 LYS H 1.0 0.0 5.33 2455 2437 B 30 GLU HBy B 31 LYS H 1.0 0.0 5.48 2456 2438 B 30 GLU HBy B 30 GLU HBx 1.0 0.0 4.13 2457 2439 B 30 GLU HBx B 31 LYS H 1.0 0.0 5.50 2458 2440 B 30 GLU HBx B 34 ILE HD11 1.0 0.0 4.84 2459 2441 B 30 GLU HBx B 34 ILE HG21 1.0 0.0 5.22 2460 2442 B 30 GLU HGy B 34 ILE HD11 1.0 0.0 5.07 2461 2443 B 30 GLU HGy B 34 ILE HG21 1.0 0.0 5.24 2462 2444 B 30 GLU HGx B 31 LYS H 1.0 0.0 5.50 2463 2445 B 30 GLU HA B 30 GLU H 1.0 0.0 4.84 2464 2446 B 30 GLU HBy B 30 GLU H 1.0 0.0 4.85 2465 2447 B 30 GLU HBx B 30 GLU H 1.0 0.0 4.70 2466 2448 B 30 GLU HGx B 30 GLU H 1.0 0.0 5.06 2467 2449 B 31 LYS H B 30 GLU H 1.0 0.0 5.14 2468 2450 B 30 GLU O B 34 ILE H 1.0 0.0 2.40 2469 2451 B 31 LYS HA B 31 LYS HBy 1.0 0.0 4.77 2470 2452 B 31 LYS HA B 31 LYS HBx 1.0 0.0 4.42 2471 2453 B 31 LYS HA B 31 LYS HDy 1.0 0.0 5.05 2472 2454 B 31 LYS HEx B 31 LYS HA 1.0 0.0 5.50 2473 2455 B 31 LYS HA B 31 LYS HGy 1.0 0.0 5.15 2474 2456 B 31 LYS HA B 31 LYS HGx 1.0 0.0 4.87 2475 2457 B 31 LYS HA B 32 LYS H 1.0 0.0 5.50 2476 2458 B 31 LYS HA B 33 GLU H 1.0 0.0 5.50 2477 2459 B 31 LYS HA B 34 ILE HB 1.0 0.0 5.18 2478 2460 B 31 LYS HA B 34 ILE HD11 1.0 0.0 4.53 2479 2461 B 31 LYS HA B 34 ILE HG1x 1.0 0.0 5.50 2480 2462 B 31 LYS HA B 34 ILE HG21 1.0 0.0 4.47 2481 2463 B 31 LYS HA B 34 ILE H 1.0 0.0 5.50 2482 2464 B 31 LYS HA B 35 ASP H 1.0 0.0 5.50 2483 2465 B 31 LYS HBx B 32 LYS H 1.0 0.0 5.50 2484 2466 B 31 LYS HEx B 31 LYS HDy 1.0 0.0 3.60 2485 2467 B 31 LYS HEx B 31 LYS HGy 1.0 0.0 5.12 2486 2468 B 31 LYS HEx B 31 LYS HGx 1.0 0.0 4.58 2487 2469 B 31 LYS HGx B 34 ILE HD11 1.0 0.0 5.24 2488 2470 B 31 LYS HA B 31 LYS H 1.0 0.0 5.30 2489 2471 B 31 LYS H B 31 LYS HBx 1.0 0.0 4.68 2490 2472 B 31 LYS HDy B 31 LYS H 1.0 0.0 5.39 2491 2473 B 31 LYS HEx B 31 LYS H 1.0 0.0 5.50 2492 2474 B 31 LYS H B 31 LYS HGy 1.0 0.0 4.91 2493 2475 B 31 LYS HGx B 31 LYS H 1.0 0.0 5.40 2494 2476 B 31 LYS H B 32 LYS H 1.0 0.0 5.12 2495 2477 B 31 LYS H B 33 GLU H 1.0 0.0 5.50 2496 2478 B 31 LYS H B 34 ILE HD11 1.0 0.0 5.50 2497 2479 B 35 ASP H B 31 LYS O 1.0 0.0 2.40 2498 2480 B 32 LYS HA B 32 LYS HBy 1.0 0.0 3.70 2499 2481 B 32 LYS HA B 32 LYS HDy 1.0 0.0 4.61 2500 2482 B 32 LYS HDx B 32 LYS HA 1.0 0.0 4.19 2501 2483 B 32 LYS HEy B 32 LYS HA 1.0 0.0 4.76 2502 2484 B 32 LYS HEx B 32 LYS HA 1.0 0.0 4.42 2503 2485 B 32 LYS HA B 32 LYS HGy 1.0 0.0 4.54 2504 2486 B 32 LYS HA B 32 LYS HGx 1.0 0.0 4.58 2505 2487 B 32 LYS HA B 35 ASP HBy 1.0 0.0 5.50 2506 2488 B 32 LYS HA B 35 ASP HBx 1.0 0.0 5.45 2507 2489 B 35 ASP H B 32 LYS HA 1.0 0.0 5.50 2508 2490 B 33 GLU H B 32 LYS HBy 1.0 0.0 4.78 2509 2491 B 32 LYS HDx B 32 LYS HEx 1.0 0.0 3.50 2510 2492 B 32 LYS HEx B 32 LYS HGy 1.0 0.0 4.60 2511 2493 B 33 GLU H B 32 LYS HGy 1.0 0.0 5.50 2512 2494 B 33 GLU H B 32 LYS HGx 1.0 0.0 5.50 2513 2495 B 32 LYS H B 32 LYS HA 1.0 0.0 4.65 2514 2496 B 32 LYS H B 32 LYS HBy 1.0 0.0 4.33 2515 2497 B 32 LYS H B 32 LYS HDy 1.0 0.0 5.10 2516 2498 B 32 LYS H B 32 LYS HDx 1.0 0.0 5.50 2517 2499 B 32 LYS H B 32 LYS HGy 1.0 0.0 5.50 2518 2500 B 32 LYS H B 32 LYS HGx 1.0 0.0 5.42 2519 2501 B 32 LYS H B 33 GLU H 1.0 0.0 5.14 2520 2502 B 32 LYS H B 35 ASP H 1.0 0.0 5.50 2521 2503 B 33 GLU HA B 33 GLU HGx 1.0 0.0 4.12 2522 2504 B 34 ILE H B 33 GLU HA 1.0 0.0 5.41 2523 2505 B 33 GLU HA B 36 LYS HGx 1.0 0.0 5.50 2524 2506 B 33 GLU HA B 36 LYS H 1.0 0.0 5.50 2525 2507 B 34 ILE H B 33 GLU HBy 1.0 0.0 5.50 2526 2508 B 34 ILE H B 33 GLU HBx 1.0 0.0 5.50 2527 2509 B 34 ILE H B 33 GLU HGx 1.0 0.0 5.50 2528 2510 B 33 GLU HGx B 36 LYS HDx 1.0 0.0 5.29 2529 2511 B 33 GLU H B 33 GLU HA 1.0 0.0 4.52 2530 2512 B 33 GLU H B 33 GLU HBy 1.0 0.0 5.20 2531 2513 B 33 GLU H B 33 GLU HBx 1.0 0.0 4.72 2532 2514 B 33 GLU H B 33 GLU HGx 1.0 0.0 4.82 2533 2515 B 33 GLU H B 34 ILE H 1.0 0.0 5.26 2534 2516 B 33 GLU H B 35 ASP H 1.0 0.0 5.50 2535 2517 B 34 ILE HB B 34 ILE HA 1.0 0.0 5.21 2536 2518 B 34 ILE HD11 B 34 ILE HA 1.0 0.0 5.13 2537 2519 B 34 ILE HA B 34 ILE HG1y 1.0 0.0 5.16 2538 2520 B 34 ILE HG1x B 34 ILE HA 1.0 0.0 5.19 2539 2521 B 34 ILE HG21 B 34 ILE HA 1.0 0.0 4.52 2540 2522 B 35 ASP H B 34 ILE HA 1.0 0.0 5.50 2541 2523 B 34 ILE HA B 37 ARG HBx 1.0 0.0 5.50 2542 2524 B 34 ILE HA B 37 ARG HGx 1.0 0.0 5.50 2543 2525 B 34 ILE HA B 37 ARG HH1x 1.0 0.0 5.50 2544 2526 B 34 ILE HA B 37 ARG H 1.0 0.0 5.50 2545 2527 B 34 ILE HD11 B 34 ILE HB 1.0 0.0 4.19 2546 2528 B 34 ILE HG1x B 34 ILE HB 1.0 0.0 5.45 2547 2529 B 34 ILE HB B 35 ASP H 1.0 0.0 5.09 2548 2530 B 34 ILE HD11 B 35 ASP H 1.0 0.0 5.50 2549 2531 B 34 ILE HD11 B 34 ILE HG1y 1.0 0.0 4.14 2550 2532 B 34 ILE HG1x B 34 ILE HG1y 1.0 0.0 4.79 2551 2533 B 34 ILE HG1x B 34 ILE HD11 1.0 0.0 4.09 2552 2534 B 34 ILE HG21 B 34 ILE HB 1.0 0.0 4.24 2553 2535 B 34 ILE HG21 B 34 ILE HG1y 1.0 0.0 4.68 2554 2536 B 34 ILE HG1x B 34 ILE HG21 1.0 0.0 4.39 2555 2537 B 34 ILE HG21 B 35 ASP H 1.0 0.0 5.26 2556 2538 B 34 ILE HG21 B 37 ARG H 1.0 0.0 5.50 2557 2539 B 34 ILE H B 34 ILE HA 1.0 0.0 5.50 2558 2540 B 34 ILE H B 34 ILE HB 1.0 0.0 5.03 2559 2541 B 34 ILE HD11 B 34 ILE H 1.0 0.0 5.15 2560 2542 B 34 ILE H B 34 ILE HG1y 1.0 0.0 5.50 2561 2543 B 34 ILE HG1x B 34 ILE H 1.0 0.0 5.50 2562 2544 B 34 ILE HG21 B 34 ILE H 1.0 0.0 5.00 2563 2545 B 34 ILE H B 35 ASP H 1.0 0.0 5.43 2564 2546 B 34 ILE H B 36 LYS H 1.0 0.0 5.50 2565 2547 B 35 ASP HBy B 35 ASP HA 1.0 0.0 5.42 2566 2548 B 35 ASP HBx B 35 ASP HA 1.0 0.0 5.21 2567 2549 B 35 ASP HA B 38 SER HBx 1.0 0.0 5.50 2568 2550 B 35 ASP HBy B 36 LYS H 1.0 0.0 5.50 2569 2551 B 35 ASP HBy B 35 ASP HBx 1.0 0.0 4.53 2570 2552 B 35 ASP HBx B 36 LYS H 1.0 0.0 5.50 2571 2553 B 35 ASP H B 35 ASP HA 1.0 0.0 5.50 2572 2554 B 35 ASP H B 35 ASP HBy 1.0 0.0 5.50 2573 2555 B 35 ASP H B 36 LYS H 1.0 0.0 5.40 2574 2556 B 35 ASP H B 37 ARG H 1.0 0.0 5.50 2575 2557 B 36 LYS HA B 36 LYS HBy 1.0 0.0 4.41 2576 2558 B 36 LYS HA B 36 LYS HBx 1.0 0.0 4.45 2577 2559 B 36 LYS HA B 36 LYS HGy 1.0 0.0 4.69 2578 2560 B 36 LYS HGx B 36 LYS HA 1.0 0.0 4.51 2579 2561 B 37 ARG H B 36 LYS HA 1.0 0.0 5.15 2580 2562 B 36 LYS HA B 38 SER H 1.0 0.0 5.50 2581 2563 B 36 LYS HA B 88 ARG HDy 1.0 0.0 5.50 2582 2564 B 36 LYS HA B 88 ARG HDx 1.0 0.0 5.50 2583 2565 B 36 LYS HBy B 36 LYS HEx 1.0 0.0 4.21 2584 2566 B 37 ARG H B 36 LYS HBy 1.0 0.0 5.50 2585 2567 B 36 LYS HBy B 88 ARG HDx 1.0 0.0 5.50 2586 2568 B 36 LYS HDx B 36 LYS HBx 1.0 0.0 4.16 2587 2569 B 36 LYS HBx B 36 LYS HEx 1.0 0.0 5.50 2588 2570 B 37 ARG H B 36 LYS HBx 1.0 0.0 5.50 2589 2571 B 36 LYS HBx B 88 ARG HDy 1.0 0.0 5.50 2590 2572 B 36 LYS HGx B 36 LYS HEx 1.0 0.0 5.27 2591 2573 B 36 LYS HGx B 37 ARG H 1.0 0.0 5.50 2592 2574 B 36 LYS H B 36 LYS HA 1.0 0.0 5.03 2593 2575 B 36 LYS H B 36 LYS HBx 1.0 0.0 4.78 2594 2576 B 36 LYS H B 36 LYS HDx 1.0 0.0 5.43 2595 2577 B 36 LYS H B 36 LYS HGy 1.0 0.0 5.50 2596 2578 B 36 LYS HGx B 36 LYS H 1.0 0.0 5.50 2597 2579 B 36 LYS H B 37 ARG HA 1.0 0.0 5.50 2598 2580 B 36 LYS H B 37 ARG H 1.0 0.0 5.23 2599 2581 B 38 SER H B 37 ARG HA 1.0 0.0 5.50 2600 2582 B 37 ARG HA B 88 ARG HA 1.0 0.0 4.95 2601 2583 B 37 ARG HA B 91 VAL HG21 1.0 0.0 5.50 2602 2584 B 37 ARG HBy B 37 ARG HDx 1.0 0.0 5.40 2603 2585 B 37 ARG HGx B 37 ARG HBy 1.0 0.0 4.59 2604 2586 B 38 SER H B 37 ARG HBy 1.0 0.0 5.50 2605 2587 B 88 ARG HA B 37 ARG HBy 1.0 0.0 4.22 2606 2588 B 37 ARG HBx B 37 ARG HDx 1.0 0.0 5.11 2607 2589 B 37 ARG HBx B 37 ARG HGx 1.0 0.0 5.50 2608 2590 B 37 ARG HBx B 38 SER H 1.0 0.0 5.50 2609 2591 B 37 ARG HBx B 88 ARG HA 1.0 0.0 5.50 2610 2592 B 37 ARG HH1x B 37 ARG HDx 1.0 0.0 5.33 2611 2593 B 37 ARG HDx B 86 ALA HA 1.0 0.0 5.50 2612 2594 B 37 ARG HGx B 37 ARG HDx 1.0 0.0 5.13 2613 2595 B 37 ARG HGx B 38 SER H 1.0 0.0 5.50 2614 2596 B 37 ARG HGx B 87 GLU HA 1.0 0.0 5.50 2615 2597 B 37 ARG HGx B 88 ARG HA 1.0 0.0 5.40 2616 2598 B 37 ARG H B 37 ARG HA 1.0 0.0 5.01 2617 2599 B 37 ARG H B 37 ARG HBy 1.0 0.0 4.86 2618 2600 B 37 ARG HBx B 37 ARG H 1.0 0.0 5.50 2619 2601 B 37 ARG H B 37 ARG HDx 1.0 0.0 4.67 2620 2602 B 37 ARG HGx B 37 ARG H 1.0 0.0 5.38 2621 2603 B 37 ARG H B 88 ARG HA 1.0 0.0 5.50 2622 2604 B 37 ARG H B 88 ARG HGx 1.0 0.0 5.50 2623 2605 B 37 ARG H B 91 VAL HG11 1.0 0.0 5.50 2624 2606 B 38 SER HA B 38 SER HBy 1.0 0.0 5.50 2625 2607 B 38 SER HBx B 38 SER HA 1.0 0.0 5.50 2626 2608 B 38 SER HA B 39 VAL H 1.0 0.0 5.34 2627 2609 B 38 SER HA B 84 GLU HA 1.0 0.0 5.42 2628 2610 B 38 SER HA B 84 GLU HBy 1.0 0.0 5.50 2629 2611 B 38 SER HA B 84 GLU HBx 1.0 0.0 5.50 2630 2612 B 38 SER HA B 85 PHE HD% 1.0 0.0 5.50 2631 2613 B 38 SER HA B 85 PHE H 1.0 0.0 5.50 2632 2614 B 91 VAL HG11 B 38 SER HA 1.0 0.0 5.50 2633 2615 B 38 SER HA B 112 LYS HBx 1.0 0.0 5.50 2634 2616 B 38 SER HBy B 39 VAL H 1.0 0.0 5.50 2635 2617 B 38 SER HBy B 112 LYS HBy 1.0 0.0 5.50 2636 2618 B 38 SER HBy B 112 LYS HBx 1.0 0.0 5.50 2637 2619 B 38 SER HBy B 112 LYS HEx 1.0 0.0 5.50 2638 2620 B 38 SER HBx B 38 SER HBy 1.0 0.0 5.50 2639 2621 B 38 SER HBx B 39 VAL H 1.0 0.0 5.50 2640 2622 B 38 SER HBx B 112 LYS HBy 1.0 0.0 5.50 2641 2623 B 38 SER HBx B 112 LYS HBx 1.0 0.0 5.50 2642 2624 B 38 SER HBx B 112 LYS HEx 1.0 0.0 5.50 2643 2625 B 38 SER H B 38 SER HA 1.0 0.0 5.50 2644 2626 B 38 SER H B 38 SER HBy 1.0 0.0 5.50 2645 2627 B 38 SER HBx B 38 SER H 1.0 0.0 5.50 2646 2628 B 38 SER H B 39 VAL H 1.0 0.0 5.50 2647 2629 B 38 SER H B 91 VAL HG11 1.0 0.0 5.32 2648 2630 B 38 SER H B 91 VAL HG21 1.0 0.0 5.50 2649 2631 B 39 VAL HA B 39 VAL HB 1.0 0.0 5.16 2650 2632 B 39 VAL HA B 39 VAL HG11 1.0 0.0 4.52 2651 2633 B 39 VAL HA B 39 VAL HG21 1.0 0.0 5.50 2652 2634 B 39 VAL HA B 40 TYR H 1.0 0.0 5.16 2653 2635 B 91 VAL HG21 B 39 VAL HA 1.0 0.0 5.50 2654 2636 B 39 VAL HA B 110 LEU H 1.0 0.0 5.50 2655 2637 B 39 VAL HA B 111 PRO HA 1.0 0.0 5.50 2656 2638 B 39 VAL HA B 111 PRO HBy 1.0 0.0 5.50 2657 2639 B 39 VAL HA B 111 PRO HBx 1.0 0.0 5.50 2658 2640 B 39 VAL HA B 112 LYS HA 1.0 0.0 5.50 2659 2641 B 112 LYS HBy B 39 VAL HA 1.0 0.0 5.50 2660 2642 B 112 LYS HBx B 39 VAL HA 1.0 0.0 5.50 2661 2643 B 39 VAL HA B 112 LYS H 1.0 0.0 5.50 2662 2644 B 39 VAL HB B 39 VAL HG11 1.0 0.0 4.27 2663 2645 B 39 VAL HB B 39 VAL HG21 1.0 0.0 4.71 2664 2646 B 39 VAL HB B 40 TYR H 1.0 0.0 5.49 2665 2647 B 39 VAL HB B 41 VAL HG21 1.0 0.0 5.50 2666 2648 B 39 VAL HB B 110 LEU H 1.0 0.0 5.50 2667 2649 B 39 VAL HB B 112 LYS H 1.0 0.0 5.50 2668 2650 B 39 VAL HG11 B 40 TYR H 1.0 0.0 5.50 2669 2651 B 85 PHE HD% B 39 VAL HG11 1.0 0.0 5.50 2670 2652 B 39 VAL HG11 B 85 PHE HE% 1.0 0.0 5.13 2671 2653 B 39 VAL HG11 B 85 PHE HZ 1.0 0.0 5.50 2672 2654 B 39 VAL HG11 B 91 VAL HA 1.0 0.0 4.92 2673 2655 B 39 VAL HG11 B 94 ALA HB1 1.0 0.0 4.15 2674 2656 B 39 VAL HG11 B 110 LEU H 1.0 0.0 5.50 2675 2657 B 39 VAL HG11 B 111 PRO HA 1.0 0.0 4.80 2676 2658 B 39 VAL HG11 B 111 PRO HBy 1.0 0.0 5.33 2677 2659 B 39 VAL HG11 B 111 PRO HBx 1.0 0.0 5.50 2678 2660 B 39 VAL HG11 B 112 LYS H 1.0 0.0 5.50 2679 2661 B 39 VAL HG11 B 39 VAL HG21 1.0 0.0 3.95 2680 2662 B 39 VAL HG21 B 40 TYR H 1.0 0.0 5.50 2681 2663 B 39 VAL HG21 B 83 ILE HD11 1.0 0.0 5.24 2682 2664 B 39 VAL HG21 B 83 ILE HG21 1.0 0.0 5.37 2683 2665 B 39 VAL HG21 B 83 ILE H 1.0 0.0 5.50 2684 2666 B 85 PHE HD% B 39 VAL HG21 1.0 0.0 5.50 2685 2667 B 39 VAL HG21 B 85 PHE HE% 1.0 0.0 5.04 2686 2668 B 39 VAL HG21 B 85 PHE HZ 1.0 0.0 5.50 2687 2669 B 39 VAL HG21 B 91 VAL HA 1.0 0.0 5.50 2688 2670 B 91 VAL HG11 B 39 VAL HG21 1.0 0.0 4.54 2689 2671 B 39 VAL HG21 B 94 ALA HB1 1.0 0.0 4.76 2690 2672 B 39 VAL HG21 B 109 VAL HB 1.0 0.0 5.50 2691 2673 B 39 VAL HG21 B 110 LEU H 1.0 0.0 5.50 2692 2674 B 39 VAL HG21 B 111 PRO HA 1.0 0.0 5.50 2693 2675 B 39 VAL HG21 B 112 LYS H 1.0 0.0 5.50 2694 2676 B 39 VAL H B 39 VAL HA 1.0 0.0 5.50 2695 2677 B 39 VAL H B 39 VAL HB 1.0 0.0 5.50 2696 2678 B 39 VAL H B 39 VAL HG11 1.0 0.0 5.50 2697 2679 B 39 VAL H B 39 VAL HG21 1.0 0.0 5.29 2698 2680 B 39 VAL H B 83 ILE HB 1.0 0.0 5.50 2699 2681 B 39 VAL H B 83 ILE HG21 1.0 0.0 5.50 2700 2682 B 39 VAL H B 83 ILE H 1.0 0.0 5.50 2701 2683 B 39 VAL H B 83 ILE O 1.0 0.0 2.40 2702 2684 B 39 VAL H B 84 GLU HA 1.0 0.0 5.50 2703 2685 B 39 VAL H B 85 PHE H 1.0 0.0 5.50 2704 2686 B 83 ILE H B 39 VAL O 1.0 0.0 2.40 2705 2687 B 40 TYR HA B 40 TYR HBy 1.0 0.0 5.50 2706 2688 B 40 TYR HBx B 40 TYR HA 1.0 0.0 5.50 2707 2689 B 40 TYR HA B 40 TYR HD% 1.0 0.0 5.50 2708 2690 B 40 TYR HA B 41 VAL H 1.0 0.0 5.00 2709 2691 B 40 TYR HA B 82 TYR HA 1.0 0.0 5.50 2710 2692 B 40 TYR HA B 82 TYR HD% 1.0 0.0 5.50 2711 2693 B 82 TYR HE% B 40 TYR HA 1.0 0.0 5.50 2712 2694 B 83 ILE H B 40 TYR HA 1.0 0.0 5.50 2713 2695 B 40 TYR HBx B 82 TYR HE% 1.0 0.0 5.50 2714 2696 B 40 TYR HBx B 110 LEU HD11 1.0 0.0 5.50 2715 2697 B 40 TYR HBy B 40 TYR HD% 1.0 0.0 5.50 2716 2698 B 40 TYR HBx B 40 TYR HD% 1.0 0.0 5.50 2717 2699 B 40 TYR HD% B 42 GLY H 1.0 0.0 5.50 2718 2700 B 110 LEU HD11 B 40 TYR HD% 1.0 0.0 5.05 2719 2701 B 40 TYR HD% B 110 LEU HD21 1.0 0.0 5.50 2720 2702 B 40 TYR HD% B 110 LEU HG 1.0 0.0 5.50 2721 2703 B 40 TYR HE% B 42 GLY HAy 1.0 0.0 5.50 2722 2704 B 40 TYR HE% B 42 GLY HAy 1.0 0.0 5.50 2723 2705 B 40 TYR HE% B 42 GLY H 1.0 0.0 5.50 2724 2706 B 40 TYR HE% B 80 TYR HBy 1.0 0.0 5.50 2725 2707 B 40 TYR HE% B 80 TYR HBx 1.0 0.0 5.50 2726 2708 B 40 TYR HE% B 108 LYS HBy 1.0 0.0 5.50 2727 2709 B 40 TYR HE% B 108 LYS HDx 1.0 0.0 5.50 2728 2710 B 40 TYR HE% B 108 LYS HGy 1.0 0.0 5.50 2729 2711 B 40 TYR HE% B 108 LYS HGx 1.0 0.0 5.50 2730 2712 B 40 TYR HE% B 110 LEU HD11 1.0 0.0 5.30 2731 2713 B 40 TYR HE% B 110 LEU HD21 1.0 0.0 5.50 2732 2714 B 40 TYR HE% B 110 LEU HG 1.0 0.0 5.50 2733 2715 B 40 TYR H B 40 TYR HA 1.0 0.0 5.50 2734 2716 B 40 TYR H B 40 TYR HBy 1.0 0.0 5.50 2735 2717 B 40 TYR HBx B 40 TYR H 1.0 0.0 5.50 2736 2718 B 40 TYR H B 40 TYR HD% 1.0 0.0 5.50 2737 2719 B 40 TYR H B 109 VAL HA 1.0 0.0 5.50 2738 2720 B 40 TYR H B 110 LEU H 1.0 0.0 5.50 2739 2721 B 40 TYR H B 110 LEU O 1.0 0.0 2.40 2740 2722 B 40 TYR H B 111 PRO HA 1.0 0.0 5.50 2741 2723 B 112 LYS HBy B 40 TYR H 1.0 0.0 5.50 2742 2724 B 40 TYR H B 112 LYS H 1.0 0.0 5.50 2743 2725 B 110 LEU H B 40 TYR O 1.0 0.0 2.40 2744 2726 B 41 VAL HA B 41 VAL HB 1.0 0.0 5.50 2745 2727 B 41 VAL HA B 41 VAL HG11 1.0 0.0 4.52 2746 2728 B 41 VAL HG21 B 41 VAL HA 1.0 0.0 4.89 2747 2729 B 42 GLY H B 41 VAL HA 1.0 0.0 5.20 2748 2730 B 109 VAL HA B 41 VAL HA 1.0 0.0 5.50 2749 2731 B 41 VAL HA B 109 VAL HG11 1.0 0.0 5.49 2750 2732 B 41 VAL HA B 109 VAL HG21 1.0 0.0 5.50 2751 2733 B 110 LEU H B 41 VAL HA 1.0 0.0 5.50 2752 2734 B 41 VAL HB B 41 VAL HG11 1.0 0.0 4.32 2753 2735 B 41 VAL HG21 B 41 VAL HB 1.0 0.0 4.30 2754 2736 B 41 VAL HB B 81 ALA HB1 1.0 0.0 4.81 2755 2737 B 41 VAL HB B 81 ALA H 1.0 0.0 5.50 2756 2738 B 82 TYR HD% B 41 VAL HB 1.0 0.0 5.50 2757 2739 B 41 VAL HG21 B 41 VAL HG11 1.0 0.0 3.89 2758 2740 B 42 GLY H B 41 VAL HG11 1.0 0.0 5.50 2759 2741 B 41 VAL HG11 B 53 LEU HD21 1.0 0.0 4.33 2760 2742 B 41 VAL HG11 B 57 PHE HEx 1.0 0.0 5.12 2761 2743 B 83 ILE HD11 B 41 VAL HG11 1.0 0.0 4.42 2762 2744 B 41 VAL HG11 B 107 ILE HB 1.0 0.0 4.78 2763 2745 B 41 VAL HG11 B 107 ILE HD11 1.0 0.0 3.75 2764 2746 B 41 VAL HG11 B 107 ILE HG21 1.0 0.0 4.73 2765 2747 B 41 VAL HG11 B 108 LYS H 1.0 0.0 5.50 2766 2748 B 109 VAL HA B 41 VAL HG11 1.0 0.0 5.50 2767 2749 B 41 VAL HG11 B 109 VAL HG11 1.0 0.0 4.46 2768 2750 B 41 VAL HG21 B 42 GLY H 1.0 0.0 5.50 2769 2751 B 41 VAL HG21 B 81 ALA HB1 1.0 0.0 4.33 2770 2752 B 41 VAL HG21 B 82 TYR HA 1.0 0.0 5.50 2771 2753 B 41 VAL HG21 B 83 ILE HB 1.0 0.0 5.50 2772 2754 B 41 VAL HG21 B 83 ILE HD11 1.0 0.0 4.14 2773 2755 B 41 VAL HG21 B 83 ILE HG1x 1.0 0.0 4.29 2774 2756 B 41 VAL HG21 B 107 ILE HB 1.0 0.0 5.50 2775 2757 B 41 VAL HG21 B 109 VAL HA 1.0 0.0 5.50 2776 2758 B 41 VAL HG21 B 109 VAL HG21 1.0 0.0 4.65 2777 2759 B 110 LEU H B 41 VAL HG21 1.0 0.0 5.50 2778 2760 B 41 VAL H B 41 VAL HA 1.0 0.0 5.50 2779 2761 B 41 VAL H B 41 VAL HB 1.0 0.0 5.50 2780 2762 B 41 VAL H B 41 VAL HG11 1.0 0.0 5.50 2781 2763 B 41 VAL HG21 B 41 VAL H 1.0 0.0 5.17 2782 2764 B 41 VAL H B 42 GLY H 1.0 0.0 5.50 2783 2765 B 41 VAL H B 81 ALA HB1 1.0 0.0 5.50 2784 2766 B 41 VAL H B 81 ALA H 1.0 0.0 5.50 2785 2767 B 41 VAL H B 81 ALA O 1.0 0.0 2.40 2786 2768 B 41 VAL H B 82 TYR HA 1.0 0.0 5.50 2787 2769 B 41 VAL H B 82 TYR HD% 1.0 0.0 5.50 2788 2770 B 42 GLY HAy B 43 ASN HA 1.0 0.0 5.50 2789 2771 B 42 GLY HAy B 43 ASN H 1.0 0.0 5.50 2790 2772 B 42 GLY HAy B 43 ASN H 1.0 0.0 5.50 2791 2773 B 42 GLY HAy B 44 VAL HG11 1.0 0.0 5.50 2792 2774 B 42 GLY HAy B 44 VAL H 1.0 0.0 5.50 2793 2775 B 42 GLY HAy B 80 TYR HA 1.0 0.0 5.50 2794 2776 B 42 GLY HAy B 80 TYR HBx 1.0 0.0 5.50 2795 2777 B 42 GLY HAy B 80 TYR HD% 1.0 0.0 5.50 2796 2778 B 42 GLY HAy B 80 TYR HD% 1.0 0.0 5.50 2797 2779 B 42 GLY HAy B 81 ALA H 1.0 0.0 5.50 2798 2780 B 42 GLY H B 42 GLY HAy 1.0 0.0 5.50 2799 2781 B 42 GLY H B 42 GLY HAy 1.0 0.0 5.50 2800 2782 B 42 GLY H B 43 ASN H 1.0 0.0 5.50 2801 2783 B 42 GLY H B 107 ILE HB 1.0 0.0 5.50 2802 2784 B 42 GLY H B 108 LYS HBy 1.0 0.0 5.50 2803 2785 B 42 GLY H B 108 LYS H 1.0 0.0 5.50 2804 2786 B 42 GLY H B 108 LYS O 1.0 0.0 2.40 2805 2787 B 42 GLY H B 109 VAL HA 1.0 0.0 5.50 2806 2788 B 108 LYS H B 42 GLY O 1.0 0.0 2.40 2807 2789 B 43 ASN HA B 43 ASN HBy 1.0 0.0 5.12 2808 2790 B 43 ASN HA B 43 ASN HBx 1.0 0.0 5.16 2809 2791 B 43 ASN HA B 43 ASN HD2x 1.0 0.0 5.50 2810 2792 B 43 ASN HA B 44 VAL HG11 1.0 0.0 5.50 2811 2793 B 43 ASN HA B 44 VAL H 1.0 0.0 4.94 2812 2794 B 43 ASN HBy B 43 ASN HBx 1.0 0.0 4.26 2813 2795 B 43 ASN HBy B 43 ASN HD2x 1.0 0.0 5.41 2814 2796 B 43 ASN HBy B 43 ASN HD2y 1.0 0.0 5.50 2815 2797 B 44 VAL H B 43 ASN HBy 1.0 0.0 5.50 2816 2798 B 43 ASN HBy B 107 ILE HA 1.0 0.0 5.41 2817 2799 B 107 ILE HB B 43 ASN HBy 1.0 0.0 5.50 2818 2800 B 107 ILE HG21 B 43 ASN HBy 1.0 0.0 5.50 2819 2801 B 108 LYS H B 43 ASN HBy 1.0 0.0 5.50 2820 2802 B 43 ASN HBx B 43 ASN HD2x 1.0 0.0 5.21 2821 2803 B 43 ASN HBx B 43 ASN HD2y 1.0 0.0 5.47 2822 2804 B 43 ASN HBx B 107 ILE HA 1.0 0.0 5.15 2823 2805 B 107 ILE HB B 43 ASN HBx 1.0 0.0 5.50 2824 2806 B 107 ILE HG21 B 43 ASN HBx 1.0 0.0 5.50 2825 2807 B 108 LYS H B 43 ASN HBx 1.0 0.0 5.50 2826 2808 B 43 ASN HD2x B 105 ARG HBy 1.0 0.0 5.50 2827 2809 B 43 ASN HD2x B 105 ARG HBx 1.0 0.0 5.50 2828 2810 B 43 ASN HD2x B 105 ARG HDy 1.0 0.0 5.50 2829 2811 B 43 ASN HD2x B 105 ARG HDx 1.0 0.0 5.50 2830 2812 B 43 ASN HD2x B 105 ARG HGx 1.0 0.0 5.50 2831 2813 B 43 ASN HD2x B 106 THR HB 1.0 0.0 5.50 2832 2814 B 43 ASN HD2x B 106 THR HG21 1.0 0.0 5.29 2833 2815 B 43 ASN HD2x B 106 THR H 1.0 0.0 5.50 2834 2816 B 43 ASN HD2x B 107 ILE HA 1.0 0.0 5.50 2835 2817 B 107 ILE HG21 B 43 ASN HD2x 1.0 0.0 5.50 2836 2818 B 108 LYS H B 43 ASN HD2x 1.0 0.0 5.50 2837 2819 B 43 ASN HD2y B 105 ARG HBy 1.0 0.0 5.50 2838 2820 B 43 ASN HD2y B 105 ARG HBx 1.0 0.0 5.50 2839 2821 B 43 ASN HD2y B 105 ARG HDy 1.0 0.0 5.50 2840 2822 B 43 ASN HD2y B 105 ARG HDx 1.0 0.0 5.50 2841 2823 B 43 ASN HD2y B 105 ARG HGx 1.0 0.0 5.50 2842 2824 B 43 ASN HD2y B 106 THR HB 1.0 0.0 5.50 2843 2825 B 43 ASN HD2y B 106 THR H 1.0 0.0 5.50 2844 2826 B 43 ASN HD2y B 107 ILE HA 1.0 0.0 5.50 2845 2827 B 107 ILE HG21 B 43 ASN HD2y 1.0 0.0 5.50 2846 2828 B 43 ASN HA B 43 ASN H 1.0 0.0 4.69 2847 2829 B 43 ASN H B 43 ASN HBy 1.0 0.0 5.50 2848 2830 B 43 ASN H B 43 ASN HBx 1.0 0.0 5.50 2849 2831 B 43 ASN H B 44 VAL H 1.0 0.0 5.28 2850 2832 B 43 ASN H B 80 TYR HA 1.0 0.0 5.50 2851 2833 B 80 TYR HBy B 43 ASN H 1.0 0.0 5.50 2852 2834 B 80 TYR HBx B 43 ASN H 1.0 0.0 5.50 2853 2835 B 43 ASN H B 80 TYR HD% 1.0 0.0 5.50 2854 2836 B 44 VAL HA B 44 VAL HB 1.0 0.0 5.43 2855 2837 B 44 VAL HG11 B 44 VAL HA 1.0 0.0 4.63 2856 2838 B 44 VAL HA B 44 VAL HG21 1.0 0.0 4.83 2857 2839 B 44 VAL HA B 45 ASP HBx 1.0 0.0 5.50 2858 2840 B 44 VAL HA B 45 ASP H 1.0 0.0 5.01 2859 2841 B 44 VAL HA B 48 SER H 1.0 0.0 5.50 2860 2842 B 107 ILE HG21 B 44 VAL HA 1.0 0.0 5.50 2861 2843 B 44 VAL HG11 B 44 VAL HB 1.0 0.0 4.13 2862 2844 B 44 VAL HB B 44 VAL HG21 1.0 0.0 4.10 2863 2845 B 44 VAL HB B 45 ASP H 1.0 0.0 5.50 2864 2846 B 44 VAL HB B 48 SER HBx 1.0 0.0 5.50 2865 2847 B 80 TYR HA B 44 VAL HB 1.0 0.0 5.50 2866 2848 B 44 VAL HG11 B 44 VAL HG21 1.0 0.0 3.55 2867 2849 B 44 VAL HG11 B 45 ASP H 1.0 0.0 5.50 2868 2850 B 44 VAL HG11 B 48 SER HBx 1.0 0.0 5.50 2869 2851 B 44 VAL HG11 B 48 SER H 1.0 0.0 5.50 2870 2852 B 53 LEU HD21 B 44 VAL HG11 1.0 0.0 4.52 2871 2853 B 44 VAL HG11 B 79 GLY H 1.0 0.0 5.50 2872 2854 B 44 VAL HG11 B 80 TYR HA 1.0 0.0 4.77 2873 2855 B 80 TYR HBy B 44 VAL HG11 1.0 0.0 5.50 2874 2856 B 80 TYR HBx B 44 VAL HG11 1.0 0.0 5.50 2875 2857 B 44 VAL HG11 B 80 TYR H 1.0 0.0 5.50 2876 2858 B 44 VAL HG11 B 81 ALA HA 1.0 0.0 5.41 2877 2859 B 81 ALA HB1 B 44 VAL HG11 1.0 0.0 4.20 2878 2860 B 81 ALA H B 44 VAL HG11 1.0 0.0 5.50 2879 2861 B 44 VAL HG21 B 45 ASP HBx 1.0 0.0 5.50 2880 2862 B 44 VAL HG21 B 45 ASP H 1.0 0.0 5.20 2881 2863 B 44 VAL HG21 B 48 SER HBx 1.0 0.0 4.65 2882 2864 B 44 VAL HG21 B 48 SER H 1.0 0.0 5.50 2883 2865 B 53 LEU HD21 B 44 VAL HG21 1.0 0.0 4.61 2884 2866 B 80 TYR HA B 44 VAL HG21 1.0 0.0 5.50 2885 2867 B 44 VAL H B 44 VAL HA 1.0 0.0 5.50 2886 2868 B 44 VAL H B 44 VAL HB 1.0 0.0 5.01 2887 2869 B 44 VAL HG11 B 44 VAL H 1.0 0.0 4.60 2888 2870 B 44 VAL H B 44 VAL HG21 1.0 0.0 4.98 2889 2871 B 44 VAL H B 80 TYR HA 1.0 0.0 5.50 2890 2872 B 81 ALA HB1 B 44 VAL H 1.0 0.0 5.50 2891 2873 B 81 ALA H B 44 VAL H 1.0 0.0 5.50 2892 2874 B 107 ILE HG21 B 44 VAL H 1.0 0.0 5.50 2893 2875 B 45 ASP HA B 45 ASP HBy 1.0 0.0 5.22 2894 2876 B 45 ASP HBx B 45 ASP HA 1.0 0.0 5.10 2895 2877 B 45 ASP HA B 46 TYR H 1.0 0.0 4.63 2896 2878 B 45 ASP HBx B 45 ASP HBy 1.0 0.0 4.35 2897 2879 B 45 ASP HBy B 46 TYR H 1.0 0.0 5.50 2898 2880 B 45 ASP HBx B 46 TYR H 1.0 0.0 5.50 2899 2881 B 45 ASP H B 45 ASP HA 1.0 0.0 5.50 2900 2882 B 45 ASP H B 45 ASP HBy 1.0 0.0 5.50 2901 2883 B 45 ASP HBx B 45 ASP H 1.0 0.0 5.49 2902 2884 B 45 ASP H B 46 TYR H 1.0 0.0 5.50 2903 2885 B 45 ASP H B 48 SER HBx 1.0 0.0 5.50 2904 2886 B 105 ARG HDy B 45 ASP H 1.0 0.0 5.50 2905 2887 B 105 ARG HDx B 45 ASP H 1.0 0.0 5.50 2906 2888 B 46 TYR HA B 46 TYR HBy 1.0 0.0 5.05 2907 2889 B 46 TYR HA B 46 TYR HBx 1.0 0.0 4.98 2908 2890 B 46 TYR HA B 46 TYR HD% 1.0 0.0 5.43 2909 2891 B 46 TYR HA B 47 GLY H 1.0 0.0 5.32 2910 2892 B 46 TYR HBy B 47 GLY H 1.0 0.0 5.50 2911 2893 B 46 TYR HBy B 77 PRO HBx 1.0 0.0 5.50 2912 2894 B 46 TYR HBx B 47 GLY H 1.0 0.0 5.50 2913 2895 B 46 TYR HBx B 77 PRO HBx 1.0 0.0 5.50 2914 2896 B 46 TYR HD% B 46 TYR HBx 1.0 0.0 5.47 2915 2897 B 46 TYR HD% B 47 GLY H 1.0 0.0 5.50 2916 2898 B 46 TYR HD% B 70 CYS HBx 1.0 0.0 5.50 2917 2899 B 46 TYR HD% B 72 LYS HEx 1.0 0.0 5.50 2918 2900 B 46 TYR HD% B 77 PRO HBx 1.0 0.0 5.50 2919 2901 B 46 TYR HD% B 77 PRO HGy 1.0 0.0 5.50 2920 2902 B 46 TYR HD% B 77 PRO HGx 1.0 0.0 5.50 2921 2903 B 46 TYR HE% B 70 CYS HBx 1.0 0.0 5.50 2922 2904 B 46 TYR HE% B 72 LYS HEx 1.0 0.0 5.50 2923 2905 B 46 TYR HE% B 77 PRO HBx 1.0 0.0 5.50 2924 2906 B 46 TYR HE% B 77 PRO HGy 1.0 0.0 5.50 2925 2907 B 46 TYR HE% B 77 PRO HGx 1.0 0.0 5.50 2926 2908 B 46 TYR HE% B 78 LYS H 1.0 0.0 5.50 2927 2909 B 46 TYR H B 46 TYR HBy 1.0 0.0 5.42 2928 2910 B 46 TYR H B 46 TYR HBx 1.0 0.0 5.37 2929 2911 B 46 TYR HD% B 46 TYR H 1.0 0.0 5.50 2930 2912 B 46 TYR H B 47 GLY H 1.0 0.0 5.50 2931 2913 B 48 SER H B 47 GLY HAy 1.0 0.0 5.50 2932 2914 B 47 GLY HAy B 49 THR HG21 1.0 0.0 5.50 2933 2915 B 47 GLY HAy B 49 THR HG21 1.0 0.0 5.50 2934 2916 B 47 GLY HAy B 103 ARG HH1x 1.0 0.0 5.50 2935 2917 B 47 GLY HAy B 103 ARG HH1x 1.0 0.0 5.50 2936 2918 B 47 GLY H B 47 GLY HAy 1.0 0.0 5.13 2937 2919 B 47 GLY H B 47 GLY HAy 1.0 0.0 5.45 2938 2920 B 48 SER H B 47 GLY H 1.0 0.0 5.34 2939 2921 B 48 SER HA B 49 THR H 1.0 0.0 4.78 2940 2922 B 48 SER HA B 103 ARG HDx 1.0 0.0 5.50 2941 2923 B 48 SER HBx B 49 THR H 1.0 0.0 5.50 2942 2924 B 48 SER HBx B 53 LEU HD11 1.0 0.0 5.29 2943 2925 B 53 LEU HD21 B 48 SER HBx 1.0 0.0 5.50 2944 2926 B 48 SER HBx B 103 ARG HDy 1.0 0.0 5.50 2945 2927 B 48 SER HBx B 103 ARG HDx 1.0 0.0 5.50 2946 2928 B 48 SER H B 48 SER HA 1.0 0.0 5.46 2947 2929 B 48 SER H B 48 SER HBx 1.0 0.0 5.21 2948 2930 B 48 SER H B 49 THR H 1.0 0.0 5.50 2949 2931 B 49 THR HA B 50 ALA H 1.0 0.0 4.86 2950 2932 B 51 GLN H B 49 THR HA 1.0 0.0 5.50 2951 2933 B 53 LEU HD11 B 49 THR HB 1.0 0.0 5.50 2952 2934 B 49 THR HG21 B 50 ALA H 1.0 0.0 5.46 2953 2935 B 49 THR H B 49 THR HA 1.0 0.0 5.44 2954 2936 B 49 THR HG21 B 49 THR H 1.0 0.0 4.66 2955 2937 B 49 THR H B 53 LEU HD11 1.0 0.0 5.50 2956 2938 B 49 THR H B 53 LEU H 1.0 0.0 5.50 2957 2939 B 51 GLN H B 50 ALA HA 1.0 0.0 5.50 2958 2940 B 50 ALA HA B 53 LEU HBy 1.0 0.0 5.24 2959 2941 B 53 LEU HD11 B 50 ALA HA 1.0 0.0 4.46 2960 2942 B 53 LEU HD21 B 50 ALA HA 1.0 0.0 5.50 2961 2943 B 53 LEU H B 50 ALA HA 1.0 0.0 5.50 2962 2944 B 50 ALA HA B 54 GLU H 1.0 0.0 5.50 2963 2945 B 66 ILE HD11 B 50 ALA HA 1.0 0.0 4.98 2964 2946 B 66 ILE HG21 B 50 ALA HA 1.0 0.0 4.90 2965 2947 B 68 ILE HD11 B 50 ALA HA 1.0 0.0 4.80 2966 2948 B 50 ALA HB1 B 50 ALA HA 1.0 0.0 4.39 2967 2949 B 50 ALA HB1 B 51 GLN H 1.0 0.0 5.50 2968 2950 B 50 ALA HB1 B 66 ILE HB 1.0 0.0 5.46 2969 2951 B 50 ALA HB1 B 66 ILE HD11 1.0 0.0 4.44 2970 2952 B 50 ALA HB1 B 66 ILE HG21 1.0 0.0 4.47 2971 2953 B 50 ALA HB1 B 68 ILE HD11 1.0 0.0 4.68 2972 2954 B 50 ALA H B 50 ALA HA 1.0 0.0 5.50 2973 2955 B 50 ALA HB1 B 50 ALA H 1.0 0.0 5.20 2974 2956 B 51 GLN H B 50 ALA H 1.0 0.0 5.50 2975 2957 B 53 LEU HD11 B 50 ALA H 1.0 0.0 5.50 2976 2958 B 68 ILE HG21 B 50 ALA H 1.0 0.0 5.50 2977 2959 B 54 GLU H B 50 ALA O 1.0 0.0 2.40 2978 2960 B 51 GLN HA B 51 GLN HGy 1.0 0.0 4.57 2979 2961 B 51 GLN HA B 51 GLN HGx 1.0 0.0 5.06 2980 2962 B 51 GLN HA B 52 ASP H 1.0 0.0 5.50 2981 2963 B 51 GLN HA B 54 GLU HGx 1.0 0.0 5.50 2982 2964 B 51 GLN HA B 54 GLU H 1.0 0.0 5.50 2983 2965 B 51 GLN HA B 55 ALA HB1 1.0 0.0 5.50 2984 2966 B 51 GLN HA B 55 ALA H 1.0 0.0 5.50 2985 2967 B 51 GLN HBy B 52 ASP H 1.0 0.0 5.50 2986 2968 B 51 GLN HGx B 51 GLN HE2x 1.0 0.0 5.46 2987 2969 B 51 GLN HGx B 51 GLN HE2y 1.0 0.0 5.22 2988 2970 B 51 GLN HA B 51 GLN H 1.0 0.0 5.50 2989 2971 B 51 GLN H B 51 GLN HBx 1.0 0.0 5.50 2990 2972 B 51 GLN H B 52 ASP H 1.0 0.0 5.50 2991 2973 B 51 GLN H B 54 GLU H 1.0 0.0 5.50 2992 2974 B 55 ALA H B 51 GLN O 1.0 0.0 2.40 2993 2975 B 53 LEU H B 52 ASP H 1.0 0.0 5.50 2994 2976 B 54 GLU H B 52 ASP H 1.0 0.0 5.50 2995 2977 B 52 ASP O B 56 HIS H 1.0 0.0 2.40 2996 2978 B 53 LEU HA B 53 LEU HBx 1.0 0.0 5.13 2997 2979 B 53 LEU HD11 B 53 LEU HA 1.0 0.0 5.43 2998 2980 B 53 LEU HD21 B 53 LEU HA 1.0 0.0 4.27 2999 2981 B 53 LEU HA B 53 LEU HG 1.0 0.0 5.06 3000 2982 B 53 LEU HA B 56 HIS HBy 1.0 0.0 5.50 3001 2983 B 53 LEU HA B 56 HIS HBx 1.0 0.0 5.50 3002 2984 B 56 HIS H B 53 LEU HA 1.0 0.0 5.50 3003 2985 B 53 LEU HA B 57 PHE H 1.0 0.0 5.50 3004 2986 B 83 ILE HD11 B 53 LEU HA 1.0 0.0 5.50 3005 2987 B 53 LEU HA B 102 PHE HE% 1.0 0.0 5.50 3006 2988 B 53 LEU HD11 B 53 LEU HBy 1.0 0.0 4.67 3007 2989 B 53 LEU HD21 B 53 LEU HBy 1.0 0.0 4.96 3008 2990 B 53 LEU HBy B 54 GLU H 1.0 0.0 5.50 3009 2991 B 66 ILE HD11 B 53 LEU HBy 1.0 0.0 5.50 3010 2992 B 68 ILE HD11 B 53 LEU HBy 1.0 0.0 5.50 3011 2993 B 68 ILE HG21 B 53 LEU HBy 1.0 0.0 5.50 3012 2994 B 83 ILE HD11 B 53 LEU HBy 1.0 0.0 5.50 3013 2995 B 53 LEU HBy B 53 LEU HBx 1.0 0.0 4.63 3014 2996 B 53 LEU HD11 B 53 LEU HBx 1.0 0.0 4.47 3015 2997 B 53 LEU HD21 B 53 LEU HBx 1.0 0.0 4.51 3016 2998 B 54 GLU H B 53 LEU HBx 1.0 0.0 5.50 3017 2999 B 66 ILE HD11 B 53 LEU HBx 1.0 0.0 5.36 3018 3000 B 68 ILE HG21 B 53 LEU HBx 1.0 0.0 5.50 3019 3001 B 83 ILE HD11 B 53 LEU HBx 1.0 0.0 5.11 3020 3002 B 53 LEU HD21 B 53 LEU HD11 1.0 0.0 3.53 3021 3003 B 53 LEU HD11 B 54 GLU H 1.0 0.0 5.50 3022 3004 B 57 PHE HEx B 53 LEU HD11 1.0 0.0 5.50 3023 3005 B 53 LEU HD11 B 68 ILE HG1x 1.0 0.0 4.23 3024 3006 B 81 ALA HA B 53 LEU HD11 1.0 0.0 5.50 3025 3007 B 81 ALA HB1 B 53 LEU HD11 1.0 0.0 3.73 3026 3008 B 83 ILE HD11 B 53 LEU HD11 1.0 0.0 4.91 3027 3009 B 53 LEU HD21 B 54 GLU H 1.0 0.0 5.50 3028 3010 B 53 LEU HD21 B 56 HIS HBy 1.0 0.0 5.50 3029 3011 B 53 LEU HD21 B 56 HIS H 1.0 0.0 5.50 3030 3012 B 53 LEU HD21 B 57 PHE HDx 1.0 0.0 5.50 3031 3013 B 53 LEU HD21 B 57 PHE HEx 1.0 0.0 4.80 3032 3014 B 66 ILE HD11 B 53 LEU HD21 1.0 0.0 4.26 3033 3015 B 81 ALA HB1 B 53 LEU HD21 1.0 0.0 4.47 3034 3016 B 83 ILE HD11 B 53 LEU HD21 1.0 0.0 4.59 3035 3017 B 53 LEU HD21 B 97 MET HE1 1.0 0.0 5.50 3036 3018 B 53 LEU HD11 B 53 LEU HG 1.0 0.0 4.16 3037 3019 B 53 LEU HD21 B 53 LEU HG 1.0 0.0 4.09 3038 3020 B 83 ILE HD11 B 53 LEU HG 1.0 0.0 5.09 3039 3021 B 53 LEU H B 53 LEU HA 1.0 0.0 5.32 3040 3022 B 53 LEU H B 53 LEU HBy 1.0 0.0 5.50 3041 3023 B 53 LEU H B 53 LEU HBx 1.0 0.0 5.50 3042 3024 B 53 LEU HD11 B 53 LEU H 1.0 0.0 5.50 3043 3025 B 53 LEU HD21 B 53 LEU H 1.0 0.0 5.50 3044 3026 B 53 LEU H B 53 LEU HG 1.0 0.0 5.49 3045 3027 B 53 LEU H B 54 GLU HBx 1.0 0.0 5.50 3046 3028 B 53 LEU H B 54 GLU H 1.0 0.0 5.50 3047 3029 B 53 LEU H B 55 ALA H 1.0 0.0 5.50 3048 3030 B 57 PHE H B 53 LEU O 1.0 0.0 2.40 3049 3031 B 54 GLU HBx B 54 GLU HA 1.0 0.0 4.47 3050 3032 B 54 GLU HGx B 54 GLU HA 1.0 0.0 4.85 3051 3033 B 55 ALA H B 54 GLU HA 1.0 0.0 5.50 3052 3034 B 56 HIS H B 54 GLU HA 1.0 0.0 5.50 3053 3035 B 57 PHE H B 54 GLU HA 1.0 0.0 5.50 3054 3036 B 54 GLU HA B 63 ILE HD11 1.0 0.0 4.44 3055 3037 B 63 ILE HG21 B 54 GLU HA 1.0 0.0 5.50 3056 3038 B 66 ILE HD11 B 54 GLU HA 1.0 0.0 4.89 3057 3039 B 83 ILE HD11 B 54 GLU HA 1.0 0.0 5.50 3058 3040 B 83 ILE HG21 B 54 GLU HA 1.0 0.0 5.50 3059 3041 B 66 ILE HD11 B 54 GLU HBy 1.0 0.0 4.87 3060 3042 B 55 ALA H B 54 GLU HBx 1.0 0.0 4.98 3061 3043 B 56 HIS H B 54 GLU HBx 1.0 0.0 5.50 3062 3044 B 66 ILE HD11 B 54 GLU HBx 1.0 0.0 5.50 3063 3045 B 54 GLU HGx B 55 ALA H 1.0 0.0 5.50 3064 3046 B 54 GLU HGx B 63 ILE HB 1.0 0.0 5.47 3065 3047 B 54 GLU HGx B 63 ILE HD11 1.0 0.0 4.46 3066 3048 B 54 GLU HGx B 63 ILE HG21 1.0 0.0 5.50 3067 3049 B 54 GLU H B 54 GLU HA 1.0 0.0 5.44 3068 3050 B 54 GLU H B 54 GLU HBy 1.0 0.0 5.50 3069 3051 B 54 GLU H B 54 GLU HBx 1.0 0.0 5.04 3070 3052 B 54 GLU HGx B 54 GLU H 1.0 0.0 5.33 3071 3053 B 54 GLU H B 55 ALA HA 1.0 0.0 5.50 3072 3054 B 54 GLU H B 55 ALA HB1 1.0 0.0 5.50 3073 3055 B 54 GLU H B 55 ALA H 1.0 0.0 5.46 3074 3056 B 54 GLU H B 56 HIS H 1.0 0.0 5.50 3075 3057 B 66 ILE HD11 B 54 GLU H 1.0 0.0 5.15 3076 3058 B 54 GLU O B 58 SER H 1.0 0.0 2.40 3077 3059 B 55 ALA HB1 B 55 ALA HA 1.0 0.0 3.80 3078 3060 B 56 HIS H B 55 ALA HA 1.0 0.0 5.50 3079 3061 B 57 PHE H B 55 ALA HA 1.0 0.0 5.50 3080 3062 B 55 ALA HA B 58 SER H 1.0 0.0 4.70 3081 3063 B 55 ALA HB1 B 56 HIS H 1.0 0.0 4.96 3082 3064 B 55 ALA HB1 B 57 PHE H 1.0 0.0 5.50 3083 3065 B 55 ALA HB1 B 58 SER H 1.0 0.0 5.50 3084 3066 B 55 ALA H B 55 ALA HA 1.0 0.0 5.00 3085 3067 B 55 ALA HB1 B 55 ALA H 1.0 0.0 4.29 3086 3068 B 55 ALA H B 56 HIS H 1.0 0.0 5.42 3087 3069 B 55 ALA O B 59 SER H 1.0 0.0 2.40 3088 3070 B 57 PHE H B 56 HIS HA 1.0 0.0 5.50 3089 3071 B 58 SER H B 56 HIS HA 1.0 0.0 5.50 3090 3072 B 56 HIS HBy B 56 HIS HBx 1.0 0.0 5.35 3091 3073 B 56 HIS HBy B 57 PHE H 1.0 0.0 5.50 3092 3074 B 56 HIS HBy B 102 PHE HD% 1.0 0.0 5.50 3093 3075 B 56 HIS HBy B 102 PHE HE% 1.0 0.0 5.50 3094 3076 B 56 HIS HBx B 57 PHE H 1.0 0.0 5.50 3095 3077 B 56 HIS HBx B 102 PHE HD% 1.0 0.0 5.50 3096 3078 B 56 HIS HBx B 102 PHE HE% 1.0 0.0 5.50 3097 3079 B 97 MET HE1 B 56 HIS HD2 1.0 0.0 5.19 3098 3080 B 107 ILE HD11 B 56 HIS HD2 1.0 0.0 5.50 3099 3081 B 56 HIS H B 56 HIS HA 1.0 0.0 5.02 3100 3082 B 56 HIS H B 56 HIS HBy 1.0 0.0 5.11 3101 3083 B 56 HIS H B 56 HIS HBx 1.0 0.0 5.09 3102 3084 B 56 HIS H B 56 HIS HD2 1.0 0.0 5.50 3103 3085 B 56 HIS H B 57 PHE HA 1.0 0.0 5.50 3104 3086 B 57 PHE HA B 57 PHE HBy 1.0 0.0 5.50 3105 3087 B 57 PHE HA B 57 PHE HBx 1.0 0.0 5.50 3106 3088 B 57 PHE HDx B 57 PHE HA 1.0 0.0 5.50 3107 3089 B 58 SER H B 57 PHE HA 1.0 0.0 5.50 3108 3090 B 63 ILE HD11 B 57 PHE HA 1.0 0.0 5.50 3109 3091 B 97 MET HE1 B 57 PHE HA 1.0 0.0 4.46 3110 3092 B 57 PHE HDx B 57 PHE HBy 1.0 0.0 5.50 3111 3093 B 63 ILE HD11 B 57 PHE HBy 1.0 0.0 5.50 3112 3094 B 83 ILE HD11 B 57 PHE HBy 1.0 0.0 5.50 3113 3095 B 83 ILE HG21 B 57 PHE HBy 1.0 0.0 5.50 3114 3096 B 85 PHE HE% B 57 PHE HBy 1.0 0.0 5.50 3115 3097 B 85 PHE HZ B 57 PHE HBy 1.0 0.0 5.50 3116 3098 B 57 PHE HDx B 57 PHE HBx 1.0 0.0 5.50 3117 3099 B 58 SER H B 57 PHE HBx 1.0 0.0 5.50 3118 3100 B 59 SER H B 57 PHE HBx 1.0 0.0 5.50 3119 3101 B 63 ILE HD11 B 57 PHE HBx 1.0 0.0 5.27 3120 3102 B 83 ILE HD11 B 57 PHE HBx 1.0 0.0 5.50 3121 3103 B 83 ILE HD11 B 57 PHE HDx 1.0 0.0 5.50 3122 3104 B 94 ALA HB1 B 57 PHE HDx 1.0 0.0 5.50 3123 3105 B 107 ILE HD11 B 57 PHE HDx 1.0 0.0 5.50 3124 3106 B 58 SER H B 57 PHE HDy 1.0 0.0 5.50 3125 3107 B 83 ILE HD11 B 57 PHE HEx 1.0 0.0 5.34 3126 3108 B 83 ILE HG21 B 57 PHE HEx 1.0 0.0 5.50 3127 3109 B 57 PHE HEx B 97 MET HE1 1.0 0.0 5.43 3128 3110 B 57 PHE HEx B 107 ILE HD11 1.0 0.0 4.94 3129 3111 B 109 VAL HG11 B 57 PHE HEx 1.0 0.0 4.69 3130 3112 B 109 VAL HG21 B 57 PHE HEx 1.0 0.0 5.50 3131 3113 B 57 PHE H B 57 PHE HA 1.0 0.0 5.49 3132 3114 B 57 PHE H B 57 PHE HBy 1.0 0.0 5.50 3133 3115 B 57 PHE H B 57 PHE HBx 1.0 0.0 5.41 3134 3116 B 57 PHE H B 58 SER H 1.0 0.0 5.16 3135 3117 B 57 PHE H B 63 ILE HD11 1.0 0.0 5.50 3136 3118 B 83 ILE HD11 B 57 PHE H 1.0 0.0 5.50 3137 3119 B 83 ILE HD11 B 57 PHE HZ 1.0 0.0 5.50 3138 3120 B 83 ILE HG21 B 57 PHE HZ 1.0 0.0 5.50 3139 3121 B 97 MET HE1 B 57 PHE HZ 1.0 0.0 5.50 3140 3122 B 109 VAL HG11 B 57 PHE HZ 1.0 0.0 5.37 3141 3123 B 58 SER HA B 60 CYS H 1.0 0.0 5.50 3142 3124 B 58 SER HA B 61 GLY H 1.0 0.0 4.79 3143 3125 B 58 SER H B 59 SER HBx 1.0 0.0 5.50 3144 3126 B 58 SER H B 59 SER H 1.0 0.0 5.50 3145 3127 B 63 ILE HD11 B 58 SER H 1.0 0.0 5.50 3146 3128 B 59 SER HBx B 59 SER HA 1.0 0.0 4.17 3147 3129 B 60 CYS H B 59 SER HA 1.0 0.0 5.50 3148 3130 B 61 GLY H B 59 SER HA 1.0 0.0 5.50 3149 3131 B 97 MET HE1 B 59 SER HBx 1.0 0.0 5.50 3150 3132 B 59 SER H B 59 SER HA 1.0 0.0 4.99 3151 3133 B 59 SER H B 59 SER HBx 1.0 0.0 5.50 3152 3134 B 59 SER H B 60 CYS H 1.0 0.0 5.19 3153 3135 B 59 SER H B 61 GLY H 1.0 0.0 5.50 3154 3136 B 97 MET HE1 B 59 SER H 1.0 0.0 5.50 3155 3137 B 60 CYS HA B 60 CYS HBy 1.0 0.0 5.03 3156 3138 B 60 CYS HA B 60 CYS HBx 1.0 0.0 4.88 3157 3139 B 61 GLY H B 60 CYS HA 1.0 0.0 5.31 3158 3140 B 61 GLY H B 60 CYS HBy 1.0 0.0 5.50 3159 3141 B 85 PHE HE% B 60 CYS HBy 1.0 0.0 5.50 3160 3142 B 85 PHE HZ B 60 CYS HBy 1.0 0.0 5.50 3161 3143 B 60 CYS HBy B 93 ALA HB1 1.0 0.0 5.47 3162 3144 B 94 ALA HB1 B 60 CYS HBy 1.0 0.0 5.50 3163 3145 B 60 CYS HBy B 94 ALA H 1.0 0.0 5.50 3164 3146 B 60 CYS HBy B 60 CYS HBx 1.0 0.0 5.02 3165 3147 B 61 GLY H B 60 CYS HBx 1.0 0.0 5.50 3166 3148 B 85 PHE HE% B 60 CYS HBx 1.0 0.0 5.50 3167 3149 B 85 PHE HZ B 60 CYS HBx 1.0 0.0 5.50 3168 3150 B 94 ALA HB1 B 60 CYS HBx 1.0 0.0 5.50 3169 3151 B 60 CYS H B 60 CYS HA 1.0 0.0 5.08 3170 3152 B 60 CYS H B 60 CYS HBy 1.0 0.0 5.25 3171 3153 B 60 CYS H B 60 CYS HBx 1.0 0.0 5.35 3172 3154 B 60 CYS H B 61 GLY HAy 1.0 0.0 5.50 3173 3155 B 60 CYS H B 61 GLY H 1.0 0.0 4.63 3174 3156 B 61 GLY HAy B 62 SER H 1.0 0.0 4.04 3175 3157 B 61 GLY HAy B 62 SER H 1.0 0.0 4.43 3176 3158 B 61 GLY H B 61 GLY HAy 1.0 0.0 4.76 3177 3159 B 61 GLY H B 61 GLY HAy 1.0 0.0 5.23 3178 3160 B 61 GLY H B 62 SER H 1.0 0.0 5.50 3179 3161 B 85 PHE HE% B 61 GLY H 1.0 0.0 5.50 3180 3162 B 62 SER HA B 62 SER HBx 1.0 0.0 4.44 3181 3163 B 62 SER HA B 63 ILE H 1.0 0.0 4.25 3182 3164 B 63 ILE H B 62 SER HBy 1.0 0.0 5.50 3183 3165 B 62 SER HBy B 86 ALA HB1 1.0 0.0 4.58 3184 3166 B 62 SER HBx B 63 ILE H 1.0 0.0 5.44 3185 3167 B 62 SER HBx B 86 ALA HB1 1.0 0.0 4.52 3186 3168 B 62 SER H B 62 SER HA 1.0 0.0 5.24 3187 3169 B 62 SER H B 62 SER HBy 1.0 0.0 4.83 3188 3170 B 62 SER H B 62 SER HBx 1.0 0.0 4.85 3189 3171 B 62 SER H B 63 ILE H 1.0 0.0 5.50 3190 3172 B 85 PHE HD% B 62 SER H 1.0 0.0 5.50 3191 3173 B 63 ILE HA B 63 ILE HG1y 1.0 0.0 5.50 3192 3174 B 63 ILE HA B 63 ILE HG1x 1.0 0.0 5.50 3193 3175 B 63 ILE HG21 B 63 ILE HA 1.0 0.0 5.48 3194 3176 B 63 ILE HA B 64 ASN H 1.0 0.0 5.50 3195 3177 B 63 ILE HA B 65 ARG H 1.0 0.0 5.50 3196 3178 B 63 ILE HA B 85 PHE HA 1.0 0.0 5.50 3197 3179 B 63 ILE HA B 85 PHE HBy 1.0 0.0 5.50 3198 3180 B 85 PHE HD% B 63 ILE HA 1.0 0.0 5.50 3199 3181 B 85 PHE H B 63 ILE HA 1.0 0.0 5.50 3200 3182 B 63 ILE HA B 86 ALA H 1.0 0.0 5.50 3201 3183 B 63 ILE HB B 63 ILE HG1y 1.0 0.0 5.50 3202 3184 B 63 ILE HB B 63 ILE HG1x 1.0 0.0 5.18 3203 3185 B 63 ILE HG21 B 63 ILE HB 1.0 0.0 4.44 3204 3186 B 63 ILE HB B 64 ASN HA 1.0 0.0 5.50 3205 3187 B 63 ILE HB B 64 ASN H 1.0 0.0 5.50 3206 3188 B 63 ILE HB B 65 ARG H 1.0 0.0 5.50 3207 3189 B 66 ILE HG21 B 63 ILE HB 1.0 0.0 4.10 3208 3190 B 83 ILE HG21 B 63 ILE HB 1.0 0.0 5.35 3209 3191 B 63 ILE HD11 B 65 ARG H 1.0 0.0 5.50 3210 3192 B 63 ILE HD11 B 83 ILE HA 1.0 0.0 5.50 3211 3193 B 83 ILE HD11 B 63 ILE HD11 1.0 0.0 5.26 3212 3194 B 83 ILE HG21 B 63 ILE HD11 1.0 0.0 4.45 3213 3195 B 63 ILE HD11 B 84 GLU H 1.0 0.0 5.50 3214 3196 B 85 PHE HD% B 63 ILE HD11 1.0 0.0 5.50 3215 3197 B 85 PHE HE% B 63 ILE HD11 1.0 0.0 5.34 3216 3198 B 85 PHE HZ B 63 ILE HD11 1.0 0.0 5.50 3217 3199 B 63 ILE HD11 B 63 ILE HG1y 1.0 0.0 4.79 3218 3200 B 63 ILE HG1y B 63 ILE HG1x 1.0 0.0 5.33 3219 3201 B 63 ILE HG1y B 64 ASN H 1.0 0.0 5.50 3220 3202 B 83 ILE HG21 B 63 ILE HG1y 1.0 0.0 5.50 3221 3203 B 85 PHE HD% B 63 ILE HG1y 1.0 0.0 5.50 3222 3204 B 85 PHE HE% B 63 ILE HG1y 1.0 0.0 5.50 3223 3205 B 63 ILE HD11 B 63 ILE HG1x 1.0 0.0 4.67 3224 3206 B 63 ILE HG1x B 64 ASN H 1.0 0.0 5.50 3225 3207 B 83 ILE HG21 B 63 ILE HG1x 1.0 0.0 5.50 3226 3208 B 63 ILE HG21 B 63 ILE HD11 1.0 0.0 4.10 3227 3209 B 63 ILE HG21 B 63 ILE HG1y 1.0 0.0 5.23 3228 3210 B 63 ILE HG21 B 63 ILE HG1x 1.0 0.0 5.41 3229 3211 B 63 ILE HG21 B 64 ASN H 1.0 0.0 5.50 3230 3212 B 65 ARG HA B 63 ILE HG21 1.0 0.0 5.50 3231 3213 B 63 ILE HG21 B 65 ARG H 1.0 0.0 5.50 3232 3214 B 63 ILE HG21 B 83 ILE HA 1.0 0.0 5.50 3233 3215 B 63 ILE HG21 B 83 ILE HG21 1.0 0.0 4.43 3234 3216 B 63 ILE HG21 B 84 GLU H 1.0 0.0 5.50 3235 3217 B 63 ILE HG21 B 85 PHE HA 1.0 0.0 5.50 3236 3218 B 63 ILE HG21 B 85 PHE HD% 1.0 0.0 5.50 3237 3219 B 63 ILE HG21 B 85 PHE HE% 1.0 0.0 5.50 3238 3220 B 63 ILE HG21 B 86 ALA H 1.0 0.0 5.50 3239 3221 B 63 ILE H B 63 ILE HA 1.0 0.0 5.36 3240 3222 B 63 ILE HB B 63 ILE H 1.0 0.0 5.05 3241 3223 B 63 ILE HD11 B 63 ILE H 1.0 0.0 5.24 3242 3224 B 63 ILE H B 63 ILE HG1y 1.0 0.0 5.50 3243 3225 B 63 ILE H B 63 ILE HG1x 1.0 0.0 5.50 3244 3226 B 63 ILE HG21 B 63 ILE H 1.0 0.0 5.15 3245 3227 B 83 ILE HG21 B 63 ILE H 1.0 0.0 5.50 3246 3228 B 63 ILE H B 85 PHE HA 1.0 0.0 5.50 3247 3229 B 85 PHE HD% B 63 ILE H 1.0 0.0 5.50 3248 3230 B 64 ASN HBy B 64 ASN HA 1.0 0.0 5.50 3249 3231 B 65 ARG H B 64 ASN HA 1.0 0.0 5.50 3250 3232 B 64 ASN HBy B 64 ASN HD2x 1.0 0.0 5.50 3251 3233 B 64 ASN HBy B 64 ASN HD2y 1.0 0.0 5.50 3252 3234 B 64 ASN HBy B 65 ARG H 1.0 0.0 5.50 3253 3235 B 64 ASN HBy B 84 GLU HBy 1.0 0.0 5.50 3254 3236 B 64 ASN HBy B 84 GLU HBx 1.0 0.0 5.50 3255 3237 B 64 ASN HBx B 64 ASN HD2x 1.0 0.0 5.50 3256 3238 B 64 ASN HBx B 64 ASN HD2y 1.0 0.0 5.50 3257 3239 B 64 ASN HBx B 65 ARG H 1.0 0.0 5.50 3258 3240 B 64 ASN HBx B 85 PHE HA 1.0 0.0 5.50 3259 3241 B 64 ASN HBx B 86 ALA HA 1.0 0.0 5.50 3260 3242 B 86 ALA HA B 64 ASN HD2x 1.0 0.0 5.11 3261 3243 B 86 ALA HB1 B 64 ASN HD2x 1.0 0.0 5.50 3262 3244 B 86 ALA HA B 64 ASN HD2y 1.0 0.0 4.74 3263 3245 B 86 ALA HB1 B 64 ASN HD2y 1.0 0.0 5.50 3264 3246 B 64 ASN H B 64 ASN HA 1.0 0.0 5.50 3265 3247 B 64 ASN HBy B 64 ASN H 1.0 0.0 5.50 3266 3248 B 64 ASN HBx B 64 ASN H 1.0 0.0 5.50 3267 3249 B 64 ASN H B 65 ARG H 1.0 0.0 5.50 3268 3250 B 83 ILE HG21 B 64 ASN H 1.0 0.0 5.50 3269 3251 B 64 ASN H B 85 PHE HA 1.0 0.0 5.50 3270 3252 B 85 PHE HD% B 64 ASN H 1.0 0.0 5.50 3271 3253 B 85 PHE H B 64 ASN H 1.0 0.0 5.50 3272 3254 B 64 ASN H B 86 ALA H 1.0 0.0 5.50 3273 3255 B 65 ARG HA B 65 ARG HBx 1.0 0.0 5.09 3274 3256 B 65 ARG HDy B 65 ARG HA 1.0 0.0 5.50 3275 3257 B 65 ARG HDx B 65 ARG HA 1.0 0.0 5.50 3276 3258 B 65 ARG HA B 65 ARG HGy 1.0 0.0 5.50 3277 3259 B 65 ARG HA B 65 ARG HGx 1.0 0.0 5.50 3278 3260 B 66 ILE H B 65 ARG HA 1.0 0.0 4.98 3279 3261 B 65 ARG HDy B 65 ARG HBx 1.0 0.0 5.31 3280 3262 B 65 ARG HDx B 65 ARG HBx 1.0 0.0 5.50 3281 3263 B 65 ARG HE B 65 ARG HBx 1.0 0.0 5.50 3282 3264 B 65 ARG HGx B 65 ARG HBx 1.0 0.0 4.92 3283 3265 B 66 ILE H B 65 ARG HBx 1.0 0.0 5.50 3284 3266 B 65 ARG HDy B 65 ARG HE 1.0 0.0 5.50 3285 3267 B 65 ARG HDy B 65 ARG HGy 1.0 0.0 5.50 3286 3268 B 65 ARG HDx B 65 ARG HGy 1.0 0.0 5.50 3287 3269 B 65 ARG HE B 65 ARG HGy 1.0 0.0 5.50 3288 3270 B 66 ILE H B 65 ARG HGy 1.0 0.0 5.50 3289 3271 B 65 ARG HDx B 65 ARG HGx 1.0 0.0 5.50 3290 3272 B 65 ARG HE B 65 ARG HGx 1.0 0.0 5.50 3291 3273 B 66 ILE H B 65 ARG HGx 1.0 0.0 5.50 3292 3274 B 65 ARG HA B 65 ARG H 1.0 0.0 5.50 3293 3275 B 65 ARG HBx B 65 ARG H 1.0 0.0 5.50 3294 3276 B 65 ARG HGy B 65 ARG H 1.0 0.0 5.44 3295 3277 B 65 ARG HGx B 65 ARG H 1.0 0.0 5.50 3296 3278 B 65 ARG H B 83 ILE HA 1.0 0.0 5.50 3297 3279 B 83 ILE HG21 B 65 ARG H 1.0 0.0 5.50 3298 3280 B 84 GLU HBy B 65 ARG H 1.0 0.0 5.50 3299 3281 B 84 GLU HBx B 65 ARG H 1.0 0.0 5.50 3300 3282 B 65 ARG H B 84 GLU H 1.0 0.0 5.50 3301 3283 B 65 ARG H B 85 PHE HA 1.0 0.0 5.50 3302 3284 B 84 GLU H B 65 ARG O 1.0 0.0 2.40 3303 3285 B 66 ILE HB B 66 ILE HA 1.0 0.0 5.50 3304 3286 B 66 ILE HD11 B 66 ILE HA 1.0 0.0 5.35 3305 3287 B 66 ILE HA B 66 ILE HG1y 1.0 0.0 4.73 3306 3288 B 66 ILE HA B 66 ILE HG1x 1.0 0.0 5.50 3307 3289 B 66 ILE HG21 B 66 ILE HA 1.0 0.0 5.17 3308 3290 B 67 THR H B 66 ILE HA 1.0 0.0 4.78 3309 3291 B 83 ILE HA B 66 ILE HA 1.0 0.0 5.50 3310 3292 B 83 ILE HD11 B 66 ILE HA 1.0 0.0 5.50 3311 3293 B 83 ILE HG21 B 66 ILE HA 1.0 0.0 5.50 3312 3294 B 84 GLU H B 66 ILE HA 1.0 0.0 5.50 3313 3295 B 66 ILE HD11 B 66 ILE HB 1.0 0.0 4.47 3314 3296 B 66 ILE HD11 B 83 ILE HD11 1.0 0.0 5.05 3315 3297 B 66 ILE HD11 B 83 ILE HG21 1.0 0.0 4.87 3316 3298 B 66 ILE HD11 B 66 ILE HG1y 1.0 0.0 4.02 3317 3299 B 67 THR H B 66 ILE HG1y 1.0 0.0 5.50 3318 3300 B 83 ILE HA B 66 ILE HG1y 1.0 0.0 5.50 3319 3301 B 83 ILE HD11 B 66 ILE HG1y 1.0 0.0 5.50 3320 3302 B 83 ILE HG21 B 66 ILE HG1y 1.0 0.0 5.50 3321 3303 B 66 ILE HG1y B 66 ILE HG1x 1.0 0.0 4.05 3322 3304 B 67 THR H B 66 ILE HG1x 1.0 0.0 5.50 3323 3305 B 66 ILE HG1x B 68 ILE HG1y 1.0 0.0 5.25 3324 3306 B 83 ILE HA B 66 ILE HG1x 1.0 0.0 5.50 3325 3307 B 83 ILE HD11 B 66 ILE HG1x 1.0 0.0 5.50 3326 3308 B 83 ILE HG21 B 66 ILE HG1x 1.0 0.0 5.50 3327 3309 B 66 ILE HB B 66 ILE HG21 1.0 0.0 4.72 3328 3310 B 67 THR H B 66 ILE HG21 1.0 0.0 5.24 3329 3311 B 66 ILE HG21 B 83 ILE HB 1.0 0.0 5.50 3330 3312 B 66 ILE HG21 B 83 ILE HD11 1.0 0.0 5.50 3331 3313 B 66 ILE HG21 B 83 ILE HG21 1.0 0.0 5.50 3332 3314 B 66 ILE H B 66 ILE HA 1.0 0.0 5.50 3333 3315 B 66 ILE H B 66 ILE HB 1.0 0.0 5.50 3334 3316 B 66 ILE HD11 B 66 ILE H 1.0 0.0 5.50 3335 3317 B 66 ILE H B 66 ILE HG1y 1.0 0.0 5.50 3336 3318 B 66 ILE H B 66 ILE HG1x 1.0 0.0 5.50 3337 3319 B 67 THR HA B 67 THR HB 1.0 0.0 5.50 3338 3320 B 67 THR HA B 67 THR HG21 1.0 0.0 4.55 3339 3321 B 67 THR HA B 68 ILE H 1.0 0.0 4.99 3340 3322 B 68 ILE H B 67 THR HB 1.0 0.0 5.50 3341 3323 B 67 THR HB B 82 TYR HBy 1.0 0.0 5.50 3342 3324 B 67 THR HB B 82 TYR HBx 1.0 0.0 5.50 3343 3325 B 67 THR HB B 82 TYR HD% 1.0 0.0 5.50 3344 3326 B 67 THR HB B 82 TYR H 1.0 0.0 5.50 3345 3327 B 67 THR HG21 B 67 THR HB 1.0 0.0 5.05 3346 3328 B 67 THR HG21 B 82 TYR HBy 1.0 0.0 5.50 3347 3329 B 67 THR HG21 B 82 TYR HD% 1.0 0.0 5.50 3348 3330 B 82 TYR HE% B 67 THR HG21 1.0 0.0 5.36 3349 3331 B 67 THR HA B 67 THR H 1.0 0.0 5.50 3350 3332 B 67 THR H B 67 THR HB 1.0 0.0 5.50 3351 3333 B 67 THR H B 82 TYR HBy 1.0 0.0 5.50 3352 3334 B 67 THR H B 82 TYR HBx 1.0 0.0 5.50 3353 3335 B 67 THR H B 82 TYR HD% 1.0 0.0 5.50 3354 3336 B 67 THR H B 82 TYR H 1.0 0.0 5.50 3355 3337 B 67 THR H B 82 TYR O 1.0 0.0 2.40 3356 3338 B 67 THR H B 84 GLU H 1.0 0.0 5.50 3357 3339 B 82 TYR H B 67 THR O 1.0 0.0 2.40 3358 3340 B 68 ILE HA B 68 ILE HB 1.0 0.0 5.50 3359 3341 B 68 ILE HD11 B 68 ILE HA 1.0 0.0 5.34 3360 3342 B 68 ILE HG1y B 68 ILE HA 1.0 0.0 5.50 3361 3343 B 68 ILE HG1x B 68 ILE HA 1.0 0.0 5.50 3362 3344 B 68 ILE HG21 B 68 ILE HA 1.0 0.0 4.78 3363 3345 B 68 ILE HA B 69 LEU H 1.0 0.0 5.05 3364 3346 B 80 TYR H B 68 ILE HA 1.0 0.0 5.50 3365 3347 B 81 ALA HA B 68 ILE HA 1.0 0.0 5.43 3366 3348 B 81 ALA HB1 B 68 ILE HA 1.0 0.0 5.02 3367 3349 B 82 TYR H B 68 ILE HA 1.0 0.0 5.50 3368 3350 B 68 ILE HD11 B 68 ILE HB 1.0 0.0 4.42 3369 3351 B 68 ILE HG1x B 68 ILE HB 1.0 0.0 5.18 3370 3352 B 68 ILE HB B 69 LEU H 1.0 0.0 5.50 3371 3353 B 81 ALA HA B 68 ILE HB 1.0 0.0 5.50 3372 3354 B 68 ILE HD11 B 68 ILE HG1y 1.0 0.0 4.35 3373 3355 B 68 ILE HD11 B 69 LEU H 1.0 0.0 5.23 3374 3356 B 68 ILE HD11 B 81 ALA HB1 1.0 0.0 4.95 3375 3357 B 68 ILE HG1y B 69 LEU H 1.0 0.0 5.50 3376 3358 B 81 ALA HA B 68 ILE HG1y 1.0 0.0 5.50 3377 3359 B 81 ALA HB1 B 68 ILE HG1y 1.0 0.0 5.50 3378 3360 B 68 ILE HD11 B 68 ILE HG1x 1.0 0.0 4.15 3379 3361 B 68 ILE HG1x B 68 ILE HG1y 1.0 0.0 4.89 3380 3362 B 68 ILE HG1x B 69 LEU H 1.0 0.0 5.50 3381 3363 B 81 ALA HB1 B 68 ILE HG1x 1.0 0.0 5.50 3382 3364 B 68 ILE HG21 B 68 ILE HG1y 1.0 0.0 5.05 3383 3365 B 68 ILE HG21 B 68 ILE HG1x 1.0 0.0 4.09 3384 3366 B 68 ILE HG21 B 69 LEU H 1.0 0.0 4.89 3385 3367 B 68 ILE HG21 B 70 CYS HBx 1.0 0.0 5.50 3386 3368 B 68 ILE HG21 B 80 TYR HA 1.0 0.0 5.50 3387 3369 B 68 ILE HG21 B 80 TYR H 1.0 0.0 5.50 3388 3370 B 68 ILE HG21 B 81 ALA HA 1.0 0.0 5.38 3389 3371 B 68 ILE HG21 B 81 ALA HB1 1.0 0.0 4.05 3390 3372 B 68 ILE HG21 B 81 ALA H 1.0 0.0 5.50 3391 3373 B 68 ILE HG21 B 82 TYR H 1.0 0.0 5.50 3392 3374 B 68 ILE H B 68 ILE HA 1.0 0.0 5.50 3393 3375 B 68 ILE H B 68 ILE HB 1.0 0.0 5.44 3394 3376 B 68 ILE HD11 B 68 ILE H 1.0 0.0 5.15 3395 3377 B 68 ILE H B 68 ILE HG1y 1.0 0.0 5.50 3396 3378 B 68 ILE H B 68 ILE HG1x 1.0 0.0 5.50 3397 3379 B 68 ILE HG21 B 68 ILE H 1.0 0.0 5.14 3398 3380 B 68 ILE H B 69 LEU H 1.0 0.0 5.50 3399 3381 B 69 LEU HA B 69 LEU HBy 1.0 0.0 5.50 3400 3382 B 69 LEU HA B 69 LEU HBx 1.0 0.0 5.19 3401 3383 B 69 LEU HD11 B 69 LEU HA 1.0 0.0 5.07 3402 3384 B 69 LEU HA B 69 LEU HD21 1.0 0.0 5.25 3403 3385 B 69 LEU HA B 69 LEU HG 1.0 0.0 5.40 3404 3386 B 69 LEU HA B 70 CYS H 1.0 0.0 4.96 3405 3387 B 69 LEU HD11 B 69 LEU HBy 1.0 0.0 5.41 3406 3388 B 69 LEU HBy B 69 LEU HD21 1.0 0.0 5.40 3407 3389 B 69 LEU HBy B 69 LEU HG 1.0 0.0 5.50 3408 3390 B 69 LEU HBy B 70 CYS H 1.0 0.0 5.50 3409 3391 B 69 LEU HD11 B 69 LEU HBx 1.0 0.0 3.68 3410 3392 B 69 LEU HD21 B 69 LEU HBx 1.0 0.0 3.84 3411 3393 B 69 LEU HBx B 69 LEU HG 1.0 0.0 4.35 3412 3394 B 70 CYS H B 69 LEU HBx 1.0 0.0 5.50 3413 3395 B 69 LEU HD11 B 70 CYS H 1.0 0.0 5.50 3414 3396 B 80 TYR HE% B 69 LEU HD11 1.0 0.0 4.69 3415 3397 B 82 TYR HE% B 69 LEU HD11 1.0 0.0 5.09 3416 3398 B 69 LEU HD11 B 69 LEU HD21 1.0 0.0 3.63 3417 3399 B 69 LEU HD21 B 70 CYS H 1.0 0.0 5.50 3418 3400 B 80 TYR HE% B 69 LEU HD21 1.0 0.0 4.76 3419 3401 B 69 LEU HD21 B 81 ALA H 1.0 0.0 5.50 3420 3402 B 69 LEU HD21 B 82 TYR HBy 1.0 0.0 5.50 3421 3403 B 69 LEU HD21 B 82 TYR HBx 1.0 0.0 5.50 3422 3404 B 69 LEU HD21 B 82 TYR HD% 1.0 0.0 5.30 3423 3405 B 82 TYR HE% B 69 LEU HD21 1.0 0.0 4.93 3424 3406 B 69 LEU HD11 B 69 LEU HG 1.0 0.0 3.99 3425 3407 B 69 LEU HD21 B 69 LEU HG 1.0 0.0 4.14 3426 3408 B 69 LEU HA B 69 LEU H 1.0 0.0 5.50 3427 3409 B 69 LEU HBy B 69 LEU H 1.0 0.0 5.50 3428 3410 B 69 LEU HBx B 69 LEU H 1.0 0.0 5.50 3429 3411 B 69 LEU HD11 B 69 LEU H 1.0 0.0 5.49 3430 3412 B 69 LEU HD21 B 69 LEU H 1.0 0.0 4.84 3431 3413 B 69 LEU H B 69 LEU HG 1.0 0.0 5.50 3432 3414 B 70 CYS H B 69 LEU H 1.0 0.0 5.50 3433 3415 B 80 TYR H B 69 LEU H 1.0 0.0 5.50 3434 3416 B 69 LEU H B 80 TYR O 1.0 0.0 2.40 3435 3417 B 81 ALA HA B 69 LEU H 1.0 0.0 5.50 3436 3418 B 80 TYR H B 69 LEU O 1.0 0.0 2.40 3437 3419 B 70 CYS HBx B 70 CYS HA 1.0 0.0 5.06 3438 3420 B 70 CYS HA B 71 ASP H 1.0 0.0 4.86 3439 3421 B 70 CYS HA B 79 GLY HAy 1.0 0.0 5.50 3440 3422 B 70 CYS HA B 79 GLY HAy 1.0 0.0 5.50 3441 3423 B 79 GLY H B 70 CYS HA 1.0 0.0 5.50 3442 3424 B 80 TYR H B 70 CYS HA 1.0 0.0 5.50 3443 3425 B 70 CYS HBx B 71 ASP H 1.0 0.0 5.50 3444 3426 B 70 CYS H B 70 CYS HA 1.0 0.0 5.50 3445 3427 B 70 CYS HBx B 70 CYS H 1.0 0.0 5.46 3446 3428 B 71 ASP HBy B 71 ASP HA 1.0 0.0 5.19 3447 3429 B 71 ASP HBx B 71 ASP HA 1.0 0.0 5.18 3448 3430 B 72 LYS H B 71 ASP HA 1.0 0.0 5.13 3449 3431 B 73 PHE H B 71 ASP HA 1.0 0.0 5.50 3450 3432 B 71 ASP HA B 78 LYS HBx 1.0 0.0 5.50 3451 3433 B 71 ASP HBy B 72 LYS H 1.0 0.0 5.50 3452 3434 B 73 PHE HD% B 71 ASP HBy 1.0 0.0 5.50 3453 3435 B 71 ASP HBy B 73 PHE H 1.0 0.0 5.50 3454 3436 B 71 ASP HBy B 78 LYS HBx 1.0 0.0 5.50 3455 3437 B 80 TYR HE% B 71 ASP HBy 1.0 0.0 5.50 3456 3438 B 71 ASP HBx B 72 LYS H 1.0 0.0 5.50 3457 3439 B 73 PHE HD% B 71 ASP HBx 1.0 0.0 5.50 3458 3440 B 71 ASP HBx B 73 PHE H 1.0 0.0 5.50 3459 3441 B 71 ASP HBx B 78 LYS HBx 1.0 0.0 5.50 3460 3442 B 80 TYR HE% B 71 ASP HBx 1.0 0.0 5.50 3461 3443 B 71 ASP HA B 71 ASP H 1.0 0.0 5.50 3462 3444 B 71 ASP HBy B 71 ASP H 1.0 0.0 5.50 3463 3445 B 71 ASP HBx B 71 ASP H 1.0 0.0 5.50 3464 3446 B 71 ASP H B 72 LYS HA 1.0 0.0 5.50 3465 3447 B 72 LYS H B 71 ASP H 1.0 0.0 5.50 3466 3448 B 71 ASP H B 78 LYS HBy 1.0 0.0 5.50 3467 3449 B 71 ASP H B 78 LYS HBx 1.0 0.0 5.50 3468 3450 B 71 ASP H B 78 LYS HGx 1.0 0.0 5.50 3469 3451 B 78 LYS H B 71 ASP H 1.0 0.0 5.50 3470 3452 B 71 ASP H B 78 LYS O 1.0 0.0 2.40 3471 3453 B 71 ASP H B 79 GLY HAy 1.0 0.0 5.50 3472 3454 B 71 ASP H B 79 GLY HAy 1.0 0.0 5.50 3473 3455 B 78 LYS H B 71 ASP O 1.0 0.0 2.40 3474 3456 B 72 LYS HA B 72 LYS HBy 1.0 0.0 5.01 3475 3457 B 72 LYS HEx B 72 LYS HA 1.0 0.0 5.26 3476 3458 B 72 LYS HA B 72 LYS HGx 1.0 0.0 4.83 3477 3459 B 73 PHE H B 72 LYS HA 1.0 0.0 5.50 3478 3460 B 72 LYS HA B 75 GLY H 1.0 0.0 5.50 3479 3461 B 78 LYS H B 72 LYS HA 1.0 0.0 5.50 3480 3462 B 72 LYS HEx B 72 LYS HBy 1.0 0.0 5.50 3481 3463 B 72 LYS HBy B 72 LYS HGy 1.0 0.0 5.22 3482 3464 B 72 LYS HBy B 75 GLY H 1.0 0.0 5.50 3483 3465 B 72 LYS HEx B 72 LYS HBx 1.0 0.0 5.02 3484 3466 B 72 LYS HGy B 72 LYS HBx 1.0 0.0 5.05 3485 3467 B 72 LYS HGx B 72 LYS HBx 1.0 0.0 5.01 3486 3468 B 75 GLY H B 72 LYS HBx 1.0 0.0 5.50 3487 3469 B 72 LYS HEx B 72 LYS HDx 1.0 0.0 3.82 3488 3470 B 72 LYS HEx B 76 HIS HA 1.0 0.0 5.50 3489 3471 B 72 LYS HEx B 77 PRO HBx 1.0 0.0 5.50 3490 3472 B 72 LYS HEx B 77 PRO HDx 1.0 0.0 5.50 3491 3473 B 72 LYS HEx B 72 LYS HGy 1.0 0.0 4.72 3492 3474 B 72 LYS HEx B 72 LYS HGx 1.0 0.0 4.80 3493 3475 B 72 LYS HGx B 76 HIS HA 1.0 0.0 5.50 3494 3476 B 77 PRO HBx B 72 LYS HGx 1.0 0.0 5.50 3495 3477 B 72 LYS H B 72 LYS HA 1.0 0.0 5.50 3496 3478 B 72 LYS H B 72 LYS HBy 1.0 0.0 5.50 3497 3479 B 72 LYS H B 72 LYS HGy 1.0 0.0 5.50 3498 3480 B 72 LYS H B 72 LYS HGx 1.0 0.0 5.50 3499 3481 B 72 LYS H B 73 PHE H 1.0 0.0 5.50 3500 3482 B 73 PHE HBy B 73 PHE HA 1.0 0.0 4.56 3501 3483 B 73 PHE HBx B 73 PHE HA 1.0 0.0 4.41 3502 3484 B 73 PHE HD% B 73 PHE HA 1.0 0.0 5.03 3503 3485 B 73 PHE HA B 74 SER H 1.0 0.0 5.40 3504 3486 B 75 GLY H B 73 PHE HA 1.0 0.0 5.50 3505 3487 B 73 PHE HBy B 74 SER H 1.0 0.0 5.50 3506 3488 B 73 PHE HBx B 74 SER H 1.0 0.0 5.50 3507 3489 B 73 PHE HD% B 73 PHE HBy 1.0 0.0 5.19 3508 3490 B 73 PHE HD% B 73 PHE HBx 1.0 0.0 5.07 3509 3491 B 73 PHE H B 73 PHE HA 1.0 0.0 5.11 3510 3492 B 73 PHE H B 73 PHE HBy 1.0 0.0 5.25 3511 3493 B 73 PHE H B 73 PHE HBx 1.0 0.0 5.27 3512 3494 B 73 PHE HD% B 73 PHE H 1.0 0.0 5.50 3513 3495 B 74 SER HA B 74 SER HBx 1.0 0.0 3.90 3514 3496 B 75 GLY H B 74 SER HA 1.0 0.0 4.98 3515 3497 B 75 GLY H B 74 SER HBx 1.0 0.0 5.50 3516 3498 B 74 SER H B 74 SER HA 1.0 0.0 5.34 3517 3499 B 74 SER H B 74 SER HBx 1.0 0.0 5.50 3518 3500 B 75 GLY H B 74 SER H 1.0 0.0 5.50 3519 3501 B 74 SER H B 76 HIS H 1.0 0.0 5.50 3520 3502 B 76 HIS HA B 75 GLY HAy 1.0 0.0 5.50 3521 3503 B 76 HIS HA B 75 GLY HAy 1.0 0.0 5.50 3522 3504 B 75 GLY HAy B 76 HIS HBx 1.0 0.0 5.50 3523 3505 B 75 GLY HAy B 76 HIS HBx 1.0 0.0 5.50 3524 3506 B 76 HIS H B 75 GLY HAy 1.0 0.0 5.50 3525 3507 B 76 HIS H B 75 GLY HAy 1.0 0.0 5.50 3526 3508 B 75 GLY H B 75 GLY HAy 1.0 0.0 4.48 3527 3509 B 75 GLY H B 75 GLY HAy 1.0 0.0 4.67 3528 3510 B 75 GLY H B 76 HIS H 1.0 0.0 4.98 3529 3511 B 76 HIS HA B 76 HIS HBy 1.0 0.0 4.51 3530 3512 B 76 HIS HA B 76 HIS HBx 1.0 0.0 4.61 3531 3513 B 76 HIS HA B 77 PRO HA 1.0 0.0 5.50 3532 3514 B 76 HIS HA B 77 PRO HDy 1.0 0.0 4.12 3533 3515 B 76 HIS HA B 77 PRO HDx 1.0 0.0 4.01 3534 3516 B 77 PRO HGy B 76 HIS HA 1.0 0.0 5.23 3535 3517 B 77 PRO HGx B 76 HIS HA 1.0 0.0 5.50 3536 3518 B 76 HIS HBy B 76 HIS HD2 1.0 0.0 5.50 3537 3519 B 76 HIS HBy B 77 PRO HDy 1.0 0.0 4.87 3538 3520 B 77 PRO HDx B 76 HIS HBy 1.0 0.0 5.10 3539 3521 B 77 PRO HGy B 76 HIS HBy 1.0 0.0 5.50 3540 3522 B 77 PRO HGx B 76 HIS HBy 1.0 0.0 5.50 3541 3523 B 76 HIS HBx B 77 PRO HDy 1.0 0.0 5.12 3542 3524 B 77 PRO HDx B 76 HIS HBx 1.0 0.0 5.31 3543 3525 B 76 HIS HA B 76 HIS H 1.0 0.0 5.50 3544 3526 B 76 HIS H B 76 HIS HBy 1.0 0.0 5.50 3545 3527 B 76 HIS H B 76 HIS HBx 1.0 0.0 5.47 3546 3528 B 77 PRO HDx B 76 HIS H 1.0 0.0 5.50 3547 3529 B 77 PRO HBx B 77 PRO HA 1.0 0.0 4.65 3548 3530 B 77 PRO HGy B 77 PRO HA 1.0 0.0 5.36 3549 3531 B 77 PRO HBx B 78 LYS H 1.0 0.0 4.06 3550 3532 B 77 PRO HBx B 77 PRO HDy 1.0 0.0 5.50 3551 3533 B 77 PRO HBx B 77 PRO HDx 1.0 0.0 5.50 3552 3534 B 77 PRO HGy B 77 PRO HDy 1.0 0.0 4.99 3553 3535 B 77 PRO HGy B 77 PRO HDx 1.0 0.0 4.83 3554 3536 B 78 LYS HBy B 78 LYS HA 1.0 0.0 4.74 3555 3537 B 78 LYS HBx B 78 LYS HA 1.0 0.0 4.81 3556 3538 B 78 LYS HA B 78 LYS HEx 1.0 0.0 5.50 3557 3539 B 79 GLY H B 78 LYS HA 1.0 0.0 4.41 3558 3540 B 78 LYS HBx B 78 LYS HBy 1.0 0.0 3.57 3559 3541 B 78 LYS HBy B 78 LYS HDx 1.0 0.0 4.45 3560 3542 B 78 LYS HBy B 78 LYS HEx 1.0 0.0 5.50 3561 3543 B 78 LYS HBy B 78 LYS HGx 1.0 0.0 4.44 3562 3544 B 79 GLY H B 78 LYS HBy 1.0 0.0 5.50 3563 3545 B 80 TYR HE% B 78 LYS HBy 1.0 0.0 5.50 3564 3546 B 78 LYS HBx B 78 LYS HDx 1.0 0.0 4.55 3565 3547 B 78 LYS HBx B 78 LYS HEx 1.0 0.0 5.50 3566 3548 B 78 LYS HBx B 78 LYS HGx 1.0 0.0 4.49 3567 3549 B 79 GLY H B 78 LYS HBx 1.0 0.0 5.50 3568 3550 B 80 TYR HE% B 78 LYS HBx 1.0 0.0 5.50 3569 3551 B 79 GLY H B 78 LYS HDx 1.0 0.0 5.50 3570 3552 B 80 TYR HE% B 78 LYS HEx 1.0 0.0 5.50 3571 3553 B 79 GLY H B 78 LYS HGx 1.0 0.0 5.50 3572 3554 B 78 LYS H B 78 LYS HA 1.0 0.0 5.50 3573 3555 B 78 LYS H B 78 LYS HBy 1.0 0.0 5.50 3574 3556 B 78 LYS H B 78 LYS HBx 1.0 0.0 5.50 3575 3557 B 78 LYS H B 78 LYS HDx 1.0 0.0 5.50 3576 3558 B 79 GLY H B 78 LYS H 1.0 0.0 5.50 3577 3559 B 80 TYR H B 79 GLY HAy 1.0 0.0 5.11 3578 3560 B 80 TYR H B 79 GLY HAy 1.0 0.0 5.21 3579 3561 B 79 GLY H B 79 GLY HAy 1.0 0.0 5.21 3580 3562 B 79 GLY H B 79 GLY HAy 1.0 0.0 5.50 3581 3563 B 79 GLY H B 80 TYR H 1.0 0.0 5.50 3582 3564 B 80 TYR HBy B 80 TYR HA 1.0 0.0 5.48 3583 3565 B 80 TYR HBx B 80 TYR HA 1.0 0.0 5.46 3584 3566 B 80 TYR HA B 80 TYR HD% 1.0 0.0 5.50 3585 3567 B 81 ALA HB1 B 80 TYR HA 1.0 0.0 5.50 3586 3568 B 81 ALA H B 80 TYR HA 1.0 0.0 5.48 3587 3569 B 80 TYR HBy B 80 TYR HBx 1.0 0.0 5.37 3588 3570 B 80 TYR HBy B 81 ALA H 1.0 0.0 5.50 3589 3571 B 80 TYR HBx B 81 ALA H 1.0 0.0 5.50 3590 3572 B 80 TYR HBy B 80 TYR HD% 1.0 0.0 5.50 3591 3573 B 80 TYR HBx B 80 TYR HD% 1.0 0.0 5.50 3592 3574 B 81 ALA H B 80 TYR HD% 1.0 0.0 5.50 3593 3575 B 80 TYR HA B 80 TYR H 1.0 0.0 5.50 3594 3576 B 80 TYR HBy B 80 TYR H 1.0 0.0 5.50 3595 3577 B 80 TYR HBx B 80 TYR H 1.0 0.0 5.50 3596 3578 B 80 TYR HD% B 80 TYR H 1.0 0.0 5.50 3597 3579 B 81 ALA H B 80 TYR H 1.0 0.0 5.50 3598 3580 B 81 ALA HB1 B 81 ALA HA 1.0 0.0 4.30 3599 3581 B 81 ALA HA B 82 TYR H 1.0 0.0 5.06 3600 3582 B 81 ALA HB1 B 82 TYR H 1.0 0.0 4.79 3601 3583 B 83 ILE HD11 B 81 ALA HB1 1.0 0.0 5.01 3602 3584 B 81 ALA H B 81 ALA HA 1.0 0.0 5.50 3603 3585 B 81 ALA HB1 B 81 ALA H 1.0 0.0 5.11 3604 3586 B 81 ALA H B 82 TYR H 1.0 0.0 5.50 3605 3587 B 82 TYR HA B 82 TYR HBy 1.0 0.0 5.50 3606 3588 B 82 TYR HA B 82 TYR HBx 1.0 0.0 5.50 3607 3589 B 82 TYR HA B 82 TYR HD% 1.0 0.0 5.50 3608 3590 B 83 ILE H B 82 TYR HA 1.0 0.0 5.22 3609 3591 B 83 ILE H B 82 TYR HBx 1.0 0.0 5.50 3610 3592 B 82 TYR HD% B 82 TYR HBy 1.0 0.0 5.50 3611 3593 B 82 TYR HD% B 82 TYR HBx 1.0 0.0 5.50 3612 3594 B 83 ILE H B 82 TYR HD% 1.0 0.0 5.50 3613 3595 B 82 TYR HD% B 112 LYS HEy 1.0 0.0 5.50 3614 3596 B 82 TYR HE% B 82 TYR HBy 1.0 0.0 5.50 3615 3597 B 82 TYR HE% B 112 LYS HBx 1.0 0.0 5.50 3616 3598 B 82 TYR HE% B 112 LYS HEy 1.0 0.0 5.50 3617 3599 B 82 TYR HE% B 112 LYS HEx 1.0 0.0 5.50 3618 3600 B 82 TYR HE% B 112 LYS HGy 1.0 0.0 5.50 3619 3601 B 82 TYR HE% B 112 LYS HGx 1.0 0.0 5.50 3620 3602 B 82 TYR HA B 82 TYR H 1.0 0.0 5.50 3621 3603 B 82 TYR HBy B 82 TYR H 1.0 0.0 5.50 3622 3604 B 82 TYR HBx B 82 TYR H 1.0 0.0 5.50 3623 3605 B 82 TYR HD% B 82 TYR H 1.0 0.0 5.50 3624 3606 B 83 ILE H B 82 TYR H 1.0 0.0 5.50 3625 3607 B 83 ILE HB B 83 ILE HA 1.0 0.0 5.50 3626 3608 B 83 ILE HD11 B 83 ILE HA 1.0 0.0 5.50 3627 3609 B 83 ILE HA B 83 ILE HG1y 1.0 0.0 5.50 3628 3610 B 83 ILE HG1x B 83 ILE HA 1.0 0.0 5.50 3629 3611 B 83 ILE HG21 B 83 ILE HA 1.0 0.0 5.15 3630 3612 B 83 ILE HA B 84 GLU H 1.0 0.0 4.93 3631 3613 B 83 ILE HD11 B 83 ILE HB 1.0 0.0 4.82 3632 3614 B 83 ILE HB B 83 ILE HG1y 1.0 0.0 4.59 3633 3615 B 83 ILE HB B 83 ILE HG1x 1.0 0.0 5.38 3634 3616 B 83 ILE HG21 B 83 ILE HB 1.0 0.0 4.81 3635 3617 B 83 ILE HB B 84 GLU H 1.0 0.0 5.50 3636 3618 B 83 ILE HD11 B 83 ILE HG1x 1.0 0.0 4.99 3637 3619 B 83 ILE HD11 B 84 GLU H 1.0 0.0 5.50 3638 3620 B 83 ILE HD11 B 83 ILE HG1y 1.0 0.0 4.02 3639 3621 B 83 ILE HG1x B 83 ILE HG1y 1.0 0.0 4.43 3640 3622 B 83 ILE HD11 B 83 ILE HG21 1.0 0.0 4.07 3641 3623 B 83 ILE HG21 B 83 ILE HG1y 1.0 0.0 4.62 3642 3624 B 83 ILE HG21 B 83 ILE HG1x 1.0 0.0 5.28 3643 3625 B 83 ILE HG21 B 84 GLU H 1.0 0.0 5.34 3644 3626 B 85 PHE H B 83 ILE HG21 1.0 0.0 5.50 3645 3627 B 83 ILE H B 83 ILE HA 1.0 0.0 5.50 3646 3628 B 83 ILE H B 83 ILE HB 1.0 0.0 5.50 3647 3629 B 83 ILE HD11 B 83 ILE H 1.0 0.0 5.50 3648 3630 B 83 ILE H B 83 ILE HG1y 1.0 0.0 5.50 3649 3631 B 83 ILE H B 83 ILE HG1x 1.0 0.0 5.50 3650 3632 B 83 ILE HG21 B 83 ILE H 1.0 0.0 5.50 3651 3633 B 84 GLU HA B 84 GLU HBy 1.0 0.0 5.50 3652 3634 B 84 GLU HA B 85 PHE H 1.0 0.0 5.21 3653 3635 B 84 GLU HA B 84 GLU H 1.0 0.0 5.50 3654 3636 B 84 GLU HBy B 84 GLU H 1.0 0.0 5.50 3655 3637 B 84 GLU HBx B 84 GLU H 1.0 0.0 5.50 3656 3638 B 85 PHE H B 84 GLU H 1.0 0.0 5.50 3657 3639 B 85 PHE HA B 85 PHE HBy 1.0 0.0 5.50 3658 3640 B 85 PHE HA B 85 PHE HBx 1.0 0.0 5.50 3659 3641 B 85 PHE HA B 86 ALA H 1.0 0.0 5.16 3660 3642 B 85 PHE HA B 87 GLU H 1.0 0.0 5.50 3661 3643 B 85 PHE HBy B 85 PHE HBx 1.0 0.0 5.50 3662 3644 B 85 PHE HBy B 86 ALA H 1.0 0.0 5.50 3663 3645 B 85 PHE HBy B 87 GLU H 1.0 0.0 5.50 3664 3646 B 85 PHE HBy B 90 SER HA 1.0 0.0 5.50 3665 3647 B 85 PHE HBy B 90 SER HBy 1.0 0.0 5.50 3666 3648 B 85 PHE HBy B 90 SER HBx 1.0 0.0 5.50 3667 3649 B 85 PHE HBy B 90 SER H 1.0 0.0 5.50 3668 3650 B 91 VAL HG11 B 85 PHE HBy 1.0 0.0 5.50 3669 3651 B 86 ALA H B 85 PHE HBx 1.0 0.0 5.50 3670 3652 B 85 PHE HBx B 87 GLU H 1.0 0.0 5.50 3671 3653 B 85 PHE HBx B 90 SER HBy 1.0 0.0 5.50 3672 3654 B 91 VAL HG11 B 85 PHE HBx 1.0 0.0 5.50 3673 3655 B 91 VAL HG21 B 85 PHE HBx 1.0 0.0 5.50 3674 3656 B 85 PHE HD% B 85 PHE HBx 1.0 0.0 5.50 3675 3657 B 85 PHE HD% B 86 ALA H 1.0 0.0 5.50 3676 3658 B 85 PHE HD% B 90 SER HBy 1.0 0.0 5.50 3677 3659 B 85 PHE HD% B 90 SER HBx 1.0 0.0 5.50 3678 3660 B 85 PHE HD% B 91 VAL HA 1.0 0.0 5.50 3679 3661 B 85 PHE HD% B 94 ALA HB1 1.0 0.0 5.24 3680 3662 B 85 PHE HE% B 85 PHE HBy 1.0 0.0 5.50 3681 3663 B 85 PHE HE% B 90 SER HBx 1.0 0.0 5.50 3682 3664 B 85 PHE HE% B 91 VAL HA 1.0 0.0 5.50 3683 3665 B 85 PHE HE% B 94 ALA HA 1.0 0.0 5.50 3684 3666 B 85 PHE HE% B 94 ALA HB1 1.0 0.0 4.63 3685 3667 B 85 PHE H B 85 PHE HA 1.0 0.0 5.50 3686 3668 B 85 PHE H B 85 PHE HBy 1.0 0.0 5.50 3687 3669 B 85 PHE H B 85 PHE HBx 1.0 0.0 5.50 3688 3670 B 85 PHE HD% B 85 PHE H 1.0 0.0 5.50 3689 3671 B 85 PHE H B 86 ALA H 1.0 0.0 5.50 3690 3672 B 85 PHE H B 87 GLU H 1.0 0.0 5.50 3691 3673 B 91 VAL HG11 B 85 PHE H 1.0 0.0 5.50 3692 3674 B 85 PHE HZ B 94 ALA HB1 1.0 0.0 4.71 3693 3675 B 86 ALA HA B 86 ALA HB1 1.0 0.0 3.90 3694 3676 B 86 ALA HA B 87 GLU H 1.0 0.0 5.50 3695 3677 B 86 ALA HB1 B 87 GLU H 1.0 0.0 4.79 3696 3678 B 86 ALA HA B 86 ALA H 1.0 0.0 5.34 3697 3679 B 86 ALA HB1 B 86 ALA H 1.0 0.0 4.33 3698 3680 B 86 ALA H B 87 GLU H 1.0 0.0 5.22 3699 3681 B 86 ALA H B 90 SER HBx 1.0 0.0 5.50 3700 3682 B 87 GLU HA B 87 GLU HBy 1.0 0.0 4.41 3701 3683 B 87 GLU HA B 87 GLU HBx 1.0 0.0 4.67 3702 3684 B 87 GLU HA B 88 ARG H 1.0 0.0 4.57 3703 3685 B 87 GLU HBy B 87 GLU HBx 1.0 0.0 3.88 3704 3686 B 87 GLU HBy B 88 ARG H 1.0 0.0 5.50 3705 3687 B 87 GLU HBy B 89 ASN HBx 1.0 0.0 5.30 3706 3688 B 87 GLU HBy B 89 ASN H 1.0 0.0 5.01 3707 3689 B 90 SER H B 87 GLU HBy 1.0 0.0 5.39 3708 3690 B 87 GLU HBx B 88 ARG H 1.0 0.0 5.50 3709 3691 B 87 GLU HBx B 89 ASN HBx 1.0 0.0 5.50 3710 3692 B 90 SER HA B 87 GLU HBx 1.0 0.0 5.50 3711 3693 B 90 SER H B 87 GLU HBx 1.0 0.0 5.50 3712 3694 B 88 ARG H B 87 GLU HGx 1.0 0.0 5.43 3713 3695 B 87 GLU HA B 87 GLU H 1.0 0.0 5.21 3714 3696 B 87 GLU H B 87 GLU HBy 1.0 0.0 4.82 3715 3697 B 87 GLU H B 87 GLU HBx 1.0 0.0 5.03 3716 3698 B 87 GLU H B 87 GLU HGx 1.0 0.0 5.24 3717 3699 B 88 ARG HA B 87 GLU H 1.0 0.0 5.50 3718 3700 B 87 GLU H B 89 ASN H 1.0 0.0 5.50 3719 3701 B 87 GLU H B 90 SER HBy 1.0 0.0 5.50 3720 3702 B 87 GLU H B 90 SER H 1.0 0.0 5.50 3721 3703 B 87 GLU H B 91 VAL H 1.0 0.0 5.50 3722 3704 B 88 ARG HA B 88 ARG HBx 1.0 0.0 4.72 3723 3705 B 88 ARG HDy B 88 ARG HA 1.0 0.0 5.32 3724 3706 B 88 ARG HDx B 88 ARG HA 1.0 0.0 5.45 3725 3707 B 88 ARG HA B 88 ARG HGx 1.0 0.0 4.59 3726 3708 B 88 ARG HA B 89 ASN H 1.0 0.0 5.50 3727 3709 B 88 ARG HA B 91 VAL HB 1.0 0.0 5.50 3728 3710 B 88 ARG HA B 91 VAL HG11 1.0 0.0 4.83 3729 3711 B 88 ARG HA B 91 VAL HG21 1.0 0.0 5.50 3730 3712 B 88 ARG HDx B 88 ARG HBx 1.0 0.0 5.50 3731 3713 B 89 ASN H B 88 ARG HBx 1.0 0.0 4.86 3732 3714 B 88 ARG HDx B 89 ASN H 1.0 0.0 5.50 3733 3715 B 88 ARG HDx B 91 VAL HB 1.0 0.0 5.50 3734 3716 B 88 ARG HDx B 91 VAL HG11 1.0 0.0 5.40 3735 3717 B 88 ARG HDx B 91 VAL HG21 1.0 0.0 5.50 3736 3718 B 88 ARG HDy B 88 ARG HGx 1.0 0.0 4.45 3737 3719 B 88 ARG HDx B 88 ARG HGx 1.0 0.0 3.96 3738 3720 B 88 ARG HA B 88 ARG H 1.0 0.0 5.30 3739 3721 B 88 ARG H B 88 ARG HBy 1.0 0.0 4.84 3740 3722 B 88 ARG H B 88 ARG HBx 1.0 0.0 4.81 3741 3723 B 88 ARG HGx B 88 ARG H 1.0 0.0 5.12 3742 3724 B 91 VAL HG11 B 88 ARG H 1.0 0.0 5.50 3743 3725 B 88 ARG O B 92 ASP H 1.0 0.0 2.40 3744 3726 B 89 ASN HBx B 89 ASN HA 1.0 0.0 3.79 3745 3727 B 90 SER H B 89 ASN HA 1.0 0.0 5.50 3746 3728 B 91 VAL H B 89 ASN HA 1.0 0.0 5.50 3747 3729 B 89 ASN HA B 92 ASP HBx 1.0 0.0 5.50 3748 3730 B 92 ASP H B 89 ASN HA 1.0 0.0 5.50 3749 3731 B 89 ASN HA B 93 ALA H 1.0 0.0 5.50 3750 3732 B 89 ASN HBx B 89 ASN HD2x 1.0 0.0 5.26 3751 3733 B 89 ASN HBx B 89 ASN HD2y 1.0 0.0 4.98 3752 3734 B 90 SER HA B 89 ASN HBx 1.0 0.0 5.50 3753 3735 B 90 SER H B 89 ASN HBx 1.0 0.0 5.41 3754 3736 B 89 ASN HBx B 92 ASP H 1.0 0.0 5.50 3755 3737 B 89 ASN H B 89 ASN HA 1.0 0.0 4.65 3756 3738 B 89 ASN HBx B 89 ASN H 1.0 0.0 4.35 3757 3739 B 90 SER H B 89 ASN H 1.0 0.0 5.30 3758 3740 B 91 VAL HG11 B 89 ASN H 1.0 0.0 5.50 3759 3741 B 89 ASN H B 91 VAL H 1.0 0.0 5.50 3760 3742 B 93 ALA H B 89 ASN O 1.0 0.0 2.40 3761 3743 B 90 SER HA B 90 SER HBy 1.0 0.0 5.33 3762 3744 B 90 SER HA B 90 SER HBx 1.0 0.0 5.21 3763 3745 B 91 VAL HA B 90 SER HA 1.0 0.0 5.50 3764 3746 B 90 SER HA B 91 VAL H 1.0 0.0 5.50 3765 3747 B 90 SER HA B 92 ASP H 1.0 0.0 5.50 3766 3748 B 93 ALA HB1 B 90 SER HA 1.0 0.0 4.71 3767 3749 B 90 SER HA B 93 ALA H 1.0 0.0 5.43 3768 3750 B 94 ALA H B 90 SER HA 1.0 0.0 5.50 3769 3751 B 90 SER HBy B 90 SER HBx 1.0 0.0 5.45 3770 3752 B 90 SER HBy B 91 VAL H 1.0 0.0 5.50 3771 3753 B 90 SER HBx B 91 VAL H 1.0 0.0 5.50 3772 3754 B 90 SER HA B 90 SER H 1.0 0.0 5.16 3773 3755 B 90 SER HBy B 90 SER H 1.0 0.0 5.22 3774 3756 B 90 SER HBx B 90 SER H 1.0 0.0 5.43 3775 3757 B 91 VAL HG11 B 90 SER H 1.0 0.0 5.44 3776 3758 B 90 SER H B 91 VAL H 1.0 0.0 5.44 3777 3759 B 90 SER H B 92 ASP HBx 1.0 0.0 5.50 3778 3760 B 90 SER H B 92 ASP H 1.0 0.0 5.50 3779 3761 B 93 ALA HB1 B 90 SER H 1.0 0.0 5.50 3780 3762 B 90 SER H B 93 ALA H 1.0 0.0 5.50 3781 3763 B 94 ALA H B 90 SER O 1.0 0.0 2.40 3782 3764 B 91 VAL HA B 91 VAL HB 1.0 0.0 5.04 3783 3765 B 91 VAL HG11 B 91 VAL HA 1.0 0.0 4.20 3784 3766 B 91 VAL HG21 B 91 VAL HA 1.0 0.0 4.35 3785 3767 B 91 VAL HA B 92 ASP H 1.0 0.0 5.50 3786 3768 B 91 VAL HA B 93 ALA HB1 1.0 0.0 5.50 3787 3769 B 91 VAL HA B 93 ALA H 1.0 0.0 5.50 3788 3770 B 91 VAL HA B 94 ALA HB1 1.0 0.0 4.92 3789 3771 B 91 VAL HA B 94 ALA H 1.0 0.0 5.50 3790 3772 B 91 VAL HA B 95 VAL HG11 1.0 0.0 5.50 3791 3773 B 91 VAL HA B 95 VAL H 1.0 0.0 5.50 3792 3774 B 91 VAL HG11 B 91 VAL HB 1.0 0.0 4.04 3793 3775 B 91 VAL HG21 B 91 VAL HB 1.0 0.0 4.06 3794 3776 B 91 VAL HB B 92 ASP H 1.0 0.0 4.96 3795 3777 B 94 ALA HB1 B 91 VAL HB 1.0 0.0 5.50 3796 3778 B 91 VAL HG11 B 92 ASP H 1.0 0.0 5.24 3797 3779 B 91 VAL HG11 B 93 ALA H 1.0 0.0 5.50 3798 3780 B 91 VAL HG21 B 91 VAL HG11 1.0 0.0 3.57 3799 3781 B 91 VAL HG21 B 92 ASP HA 1.0 0.0 5.38 3800 3782 B 91 VAL HG21 B 92 ASP H 1.0 0.0 5.27 3801 3783 B 91 VAL HG21 B 93 ALA H 1.0 0.0 5.50 3802 3784 B 91 VAL HG21 B 95 VAL H 1.0 0.0 5.50 3803 3785 B 91 VAL HG21 B 111 PRO HA 1.0 0.0 5.19 3804 3786 B 91 VAL HG21 B 111 PRO HBy 1.0 0.0 5.01 3805 3787 B 91 VAL HG21 B 111 PRO HBx 1.0 0.0 4.76 3806 3788 B 91 VAL HG21 B 111 PRO HDy 1.0 0.0 5.50 3807 3789 B 91 VAL HG21 B 111 PRO HDx 1.0 0.0 5.50 3808 3790 B 91 VAL HG21 B 111 PRO HGy 1.0 0.0 5.34 3809 3791 B 91 VAL HG21 B 111 PRO HGx 1.0 0.0 4.64 3810 3792 B 91 VAL HG21 B 112 LYS H 1.0 0.0 5.50 3811 3793 B 91 VAL HA B 91 VAL H 1.0 0.0 5.50 3812 3794 B 91 VAL H B 91 VAL HB 1.0 0.0 4.91 3813 3795 B 91 VAL HG11 B 91 VAL H 1.0 0.0 4.52 3814 3796 B 91 VAL HG21 B 91 VAL H 1.0 0.0 5.25 3815 3797 B 91 VAL H B 92 ASP HBx 1.0 0.0 5.50 3816 3798 B 91 VAL H B 92 ASP H 1.0 0.0 5.01 3817 3799 B 91 VAL H B 93 ALA H 1.0 0.0 5.50 3818 3800 B 94 ALA H B 91 VAL H 1.0 0.0 5.50 3819 3801 B 95 VAL H B 91 VAL O 1.0 0.0 2.40 3820 3802 B 92 ASP HBx B 92 ASP HA 1.0 0.0 4.09 3821 3803 B 93 ALA HB1 B 92 ASP HA 1.0 0.0 5.50 3822 3804 B 93 ALA H B 92 ASP HA 1.0 0.0 5.50 3823 3805 B 94 ALA H B 92 ASP HA 1.0 0.0 5.50 3824 3806 B 92 ASP HA B 95 VAL HB 1.0 0.0 4.92 3825 3807 B 95 VAL HG11 B 92 ASP HA 1.0 0.0 4.31 3826 3808 B 95 VAL H B 92 ASP HA 1.0 0.0 5.50 3827 3809 B 92 ASP HA B 96 ALA H 1.0 0.0 5.50 3828 3810 B 92 ASP HBx B 93 ALA H 1.0 0.0 4.57 3829 3811 B 92 ASP HBx B 95 VAL HG11 1.0 0.0 5.50 3830 3812 B 92 ASP H B 92 ASP HA 1.0 0.0 4.91 3831 3813 B 92 ASP H B 92 ASP HBx 1.0 0.0 4.38 3832 3814 B 93 ALA HB1 B 92 ASP H 1.0 0.0 5.50 3833 3815 B 92 ASP H B 93 ALA H 1.0 0.0 4.83 3834 3816 B 94 ALA H B 92 ASP H 1.0 0.0 5.50 3835 3817 B 92 ASP H B 95 VAL H 1.0 0.0 5.50 3836 3818 B 94 ALA H B 93 ALA HA 1.0 0.0 5.50 3837 3819 B 93 ALA HA B 96 ALA HB1 1.0 0.0 4.39 3838 3820 B 96 ALA H B 93 ALA HA 1.0 0.0 5.50 3839 3821 B 93 ALA HB1 B 93 ALA HA 1.0 0.0 3.73 3840 3822 B 93 ALA HB1 B 94 ALA H 1.0 0.0 4.65 3841 3823 B 93 ALA H B 93 ALA HA 1.0 0.0 4.72 3842 3824 B 93 ALA HB1 B 93 ALA H 1.0 0.0 4.08 3843 3825 B 94 ALA H B 93 ALA H 1.0 0.0 4.69 3844 3826 B 93 ALA H B 95 VAL HG11 1.0 0.0 5.50 3845 3827 B 93 ALA H B 95 VAL H 1.0 0.0 5.50 3846 3828 B 94 ALA HB1 B 94 ALA HA 1.0 0.0 4.25 3847 3829 B 94 ALA HB1 B 95 VAL H 1.0 0.0 5.27 3848 3830 B 94 ALA HB1 B 109 VAL HG11 1.0 0.0 4.81 3849 3831 B 94 ALA H B 94 ALA HA 1.0 0.0 5.10 3850 3832 B 94 ALA HB1 B 94 ALA H 1.0 0.0 4.42 3851 3833 B 94 ALA H B 95 VAL HG11 1.0 0.0 5.50 3852 3834 B 94 ALA H B 95 VAL H 1.0 0.0 5.05 3853 3835 B 94 ALA H B 96 ALA H 1.0 0.0 5.50 3854 3836 B 95 VAL HB B 95 VAL HA 1.0 0.0 4.91 3855 3837 B 95 VAL HG11 B 95 VAL HA 1.0 0.0 4.06 3856 3838 B 95 VAL HA B 95 VAL HG21 1.0 0.0 4.21 3857 3839 B 96 ALA H B 95 VAL HA 1.0 0.0 5.50 3858 3840 B 95 VAL HA B 97 MET H 1.0 0.0 5.50 3859 3841 B 95 VAL HA B 98 ASP H 1.0 0.0 5.50 3860 3842 B 109 VAL HB B 95 VAL HA 1.0 0.0 5.12 3861 3843 B 109 VAL HG21 B 95 VAL HA 1.0 0.0 4.55 3862 3844 B 95 VAL HB B 95 VAL HG21 1.0 0.0 3.81 3863 3845 B 95 VAL HB B 96 ALA H 1.0 0.0 5.42 3864 3846 B 95 VAL HG11 B 95 VAL HB 1.0 0.0 3.64 3865 3847 B 95 VAL HG11 B 96 ALA H 1.0 0.0 4.91 3866 3848 B 95 VAL HG11 B 110 LEU HA 1.0 0.0 4.87 3867 3849 B 95 VAL HG11 B 111 PRO HGx 1.0 0.0 4.42 3868 3850 B 95 VAL H B 95 VAL HA 1.0 0.0 5.50 3869 3851 B 95 VAL H B 95 VAL HB 1.0 0.0 4.64 3870 3852 B 95 VAL HG11 B 95 VAL H 1.0 0.0 4.45 3871 3853 B 95 VAL H B 95 VAL HG21 1.0 0.0 4.99 3872 3854 B 95 VAL H B 96 ALA H 1.0 0.0 5.05 3873 3855 B 95 VAL H B 97 MET H 1.0 0.0 5.50 3874 3856 B 109 VAL HG21 B 95 VAL H 1.0 0.0 5.50 3875 3857 B 97 MET H B 96 ALA HA 1.0 0.0 4.91 3876 3858 B 98 ASP H B 96 ALA HA 1.0 0.0 5.50 3877 3859 B 96 ALA HB1 B 96 ALA HA 1.0 0.0 3.61 3878 3860 B 96 ALA HB1 B 97 MET H 1.0 0.0 5.01 3879 3861 B 96 ALA H B 96 ALA HA 1.0 0.0 4.66 3880 3862 B 96 ALA H B 96 ALA HB1 1.0 0.0 4.11 3881 3863 B 96 ALA H B 97 MET HBx 1.0 0.0 5.50 3882 3864 B 96 ALA H B 97 MET H 1.0 0.0 4.95 3883 3865 B 96 ALA H B 98 ASP H 1.0 0.0 5.50 3884 3866 B 97 MET HA B 97 MET HBy 1.0 0.0 5.22 3885 3867 B 97 MET HA B 97 MET HGy 1.0 0.0 4.78 3886 3868 B 98 ASP H B 97 MET HA 1.0 0.0 5.50 3887 3869 B 97 MET HA B 100 THR H 1.0 0.0 5.50 3888 3870 B 97 MET HBx B 97 MET HBy 1.0 0.0 5.05 3889 3871 B 97 MET HE1 B 97 MET HBy 1.0 0.0 5.50 3890 3872 B 97 MET HBy B 100 THR HG21 1.0 0.0 5.29 3891 3873 B 97 MET HBx B 100 THR HG21 1.0 0.0 5.29 3892 3874 B 107 ILE HD11 B 97 MET HBx 1.0 0.0 5.50 3893 3875 B 97 MET HE1 B 98 ASP H 1.0 0.0 5.50 3894 3876 B 97 MET HE1 B 100 THR HG21 1.0 0.0 4.66 3895 3877 B 107 ILE HD11 B 97 MET HE1 1.0 0.0 5.50 3896 3878 B 97 MET HE1 B 97 MET HGy 1.0 0.0 4.56 3897 3879 B 98 ASP H B 97 MET HGy 1.0 0.0 5.50 3898 3880 B 97 MET HE1 B 97 MET HGx 1.0 0.0 4.65 3899 3881 B 98 ASP H B 97 MET HGx 1.0 0.0 5.50 3900 3882 B 100 THR HG21 B 97 MET HGx 1.0 0.0 5.14 3901 3883 B 97 MET H B 97 MET HA 1.0 0.0 5.05 3902 3884 B 97 MET H B 97 MET HBy 1.0 0.0 5.44 3903 3885 B 97 MET H B 97 MET HBx 1.0 0.0 4.77 3904 3886 B 97 MET HE1 B 97 MET H 1.0 0.0 5.50 3905 3887 B 97 MET H B 97 MET HGy 1.0 0.0 5.41 3906 3888 B 97 MET H B 97 MET HGx 1.0 0.0 5.50 3907 3889 B 97 MET H B 100 THR HG21 1.0 0.0 5.50 3908 3890 B 109 VAL HG11 B 97 MET H 1.0 0.0 5.50 3909 3891 B 109 VAL HG21 B 97 MET H 1.0 0.0 5.50 3910 3892 B 98 ASP HA B 98 ASP HBy 1.0 0.0 5.50 3911 3893 B 98 ASP HA B 98 ASP HBx 1.0 0.0 5.38 3912 3894 B 98 ASP HA B 99 GLU H 1.0 0.0 5.25 3913 3895 B 100 THR H B 98 ASP HA 1.0 0.0 5.50 3914 3896 B 107 ILE HD11 B 98 ASP HA 1.0 0.0 5.50 3915 3897 B 98 ASP HA B 108 LYS HA 1.0 0.0 5.50 3916 3898 B 109 VAL HB B 98 ASP HA 1.0 0.0 5.50 3917 3899 B 109 VAL HG11 B 98 ASP HA 1.0 0.0 4.55 3918 3900 B 98 ASP HA B 109 VAL H 1.0 0.0 5.50 3919 3901 B 98 ASP HBy B 99 GLU H 1.0 0.0 5.50 3920 3902 B 109 VAL HB B 98 ASP HBy 1.0 0.0 5.50 3921 3903 B 109 VAL HG11 B 98 ASP HBy 1.0 0.0 5.49 3922 3904 B 98 ASP HBy B 109 VAL H 1.0 0.0 5.50 3923 3905 B 98 ASP HBx B 99 GLU H 1.0 0.0 5.50 3924 3906 B 109 VAL HB B 98 ASP HBx 1.0 0.0 5.50 3925 3907 B 109 VAL HG11 B 98 ASP HBx 1.0 0.0 5.30 3926 3908 B 98 ASP HBx B 109 VAL H 1.0 0.0 5.50 3927 3909 B 98 ASP H B 98 ASP HA 1.0 0.0 4.91 3928 3910 B 98 ASP H B 98 ASP HBy 1.0 0.0 5.25 3929 3911 B 98 ASP H B 98 ASP HBx 1.0 0.0 4.75 3930 3912 B 98 ASP H B 99 GLU H 1.0 0.0 5.50 3931 3913 B 109 VAL HB B 98 ASP H 1.0 0.0 5.50 3932 3914 B 109 VAL HG11 B 98 ASP H 1.0 0.0 5.42 3933 3915 B 109 VAL HG21 B 98 ASP H 1.0 0.0 5.50 3934 3916 B 99 GLU HA B 99 GLU HBx 1.0 0.0 5.17 3935 3917 B 99 GLU HA B 99 GLU HGy 1.0 0.0 4.43 3936 3918 B 99 GLU HA B 99 GLU HGx 1.0 0.0 4.60 3937 3919 B 100 THR H B 99 GLU HA 1.0 0.0 5.23 3938 3920 B 106 THR HG21 B 99 GLU HA 1.0 0.0 3.33 3939 3921 B 106 THR HG21 B 99 GLU HBy 1.0 0.0 5.25 3940 3922 B 100 THR H B 99 GLU HBx 1.0 0.0 5.50 3941 3923 B 106 THR HG21 B 99 GLU HBx 1.0 0.0 5.30 3942 3924 B 100 THR H B 99 GLU HGy 1.0 0.0 5.50 3943 3925 B 106 THR HG21 B 99 GLU HGy 1.0 0.0 4.84 3944 3926 B 106 THR HG21 B 99 GLU HGx 1.0 0.0 5.06 3945 3927 B 99 GLU H B 99 GLU HA 1.0 0.0 5.13 3946 3928 B 99 GLU H B 99 GLU HBy 1.0 0.0 5.48 3947 3929 B 99 GLU H B 99 GLU HBx 1.0 0.0 5.50 3948 3930 B 99 GLU H B 99 GLU HGy 1.0 0.0 5.50 3949 3931 B 99 GLU H B 99 GLU HGx 1.0 0.0 5.50 3950 3932 B 100 THR H B 99 GLU H 1.0 0.0 5.50 3951 3933 B 106 THR HG21 B 99 GLU H 1.0 0.0 5.39 3952 3934 B 99 GLU H B 108 LYS HA 1.0 0.0 5.50 3953 3935 B 108 LYS HDx B 99 GLU H 1.0 0.0 5.50 3954 3936 B 99 GLU H B 109 VAL H 1.0 0.0 5.50 3955 3937 B 100 THR HG21 B 100 THR HA 1.0 0.0 3.83 3956 3938 B 100 THR HA B 101 VAL H 1.0 0.0 4.71 3957 3939 B 100 THR HG21 B 100 THR HB 1.0 0.0 4.77 3958 3940 B 100 THR HG21 B 101 VAL H 1.0 0.0 5.05 3959 3941 B 107 ILE HD11 B 100 THR HG21 1.0 0.0 5.50 3960 3942 B 100 THR H B 100 THR HG21 1.0 0.0 4.99 3961 3943 B 100 THR H B 101 VAL H 1.0 0.0 5.50 3962 3944 B 106 THR HG21 B 100 THR H 1.0 0.0 5.30 3963 3945 B 100 THR H B 108 LYS HA 1.0 0.0 5.50 3964 3946 B 101 VAL HA B 101 VAL HB 1.0 0.0 4.58 3965 3947 B 101 VAL HA B 101 VAL HG11 1.0 0.0 3.89 3966 3948 B 101 VAL HA B 101 VAL HG21 1.0 0.0 4.13 3967 3949 B 101 VAL HA B 102 PHE H 1.0 0.0 4.52 3968 3950 B 101 VAL HB B 101 VAL HG11 1.0 0.0 3.70 3969 3951 B 101 VAL HB B 101 VAL HG21 1.0 0.0 3.81 3970 3952 B 101 VAL HB B 102 PHE H 1.0 0.0 5.50 3971 3953 B 101 VAL HB B 106 THR HA 1.0 0.0 4.62 3972 3954 B 101 VAL HG11 B 101 VAL HG21 1.0 0.0 3.34 3973 3955 B 101 VAL HG11 B 102 PHE H 1.0 0.0 4.93 3974 3956 B 101 VAL HG11 B 104 GLY H 1.0 0.0 5.50 3975 3957 B 101 VAL HG11 B 106 THR HA 1.0 0.0 5.34 3976 3958 B 101 VAL HG11 B 107 ILE H 1.0 0.0 5.50 3977 3959 B 101 VAL HG21 B 102 PHE H 1.0 0.0 4.50 3978 3960 B 101 VAL HG21 B 103 ARG HA 1.0 0.0 5.50 3979 3961 B 101 VAL HG21 B 103 ARG H 1.0 0.0 5.50 3980 3962 B 101 VAL HG21 B 104 GLY HAy 1.0 0.0 4.71 3981 3963 B 101 VAL HG21 B 104 GLY HAy 1.0 0.0 4.77 3982 3964 B 101 VAL HG21 B 104 GLY H 1.0 0.0 4.43 3983 3965 B 101 VAL HG21 B 105 ARG H 1.0 0.0 4.95 3984 3966 B 106 THR H B 101 VAL HG21 1.0 0.0 5.50 3985 3967 B 101 VAL H B 101 VAL HB 1.0 0.0 4.32 3986 3968 B 101 VAL H B 101 VAL HG11 1.0 0.0 4.51 3987 3969 B 101 VAL H B 101 VAL HG21 1.0 0.0 5.30 3988 3970 B 101 VAL H B 102 PHE H 1.0 0.0 5.50 3989 3971 B 103 ARG H B 102 PHE HA 1.0 0.0 4.87 3990 3972 B 104 GLY H B 102 PHE HA 1.0 0.0 5.50 3991 3973 B 103 ARG H B 102 PHE HBy 1.0 0.0 5.50 3992 3974 B 107 ILE HD11 B 102 PHE HBy 1.0 0.0 5.50 3993 3975 B 103 ARG H B 102 PHE HBx 1.0 0.0 5.50 3994 3976 B 107 ILE HD11 B 102 PHE HBx 1.0 0.0 5.35 3995 3977 B 107 ILE HG21 B 102 PHE HBx 1.0 0.0 5.50 3996 3978 B 102 PHE HD% B 102 PHE HBx 1.0 0.0 5.50 3997 3979 B 102 PHE HD% B 103 ARG H 1.0 0.0 5.50 3998 3980 B 102 PHE HD% B 105 ARG HGy 1.0 0.0 5.50 3999 3981 B 107 ILE HD11 B 102 PHE HD% 1.0 0.0 5.32 4000 3982 B 107 ILE HG21 B 102 PHE HD% 1.0 0.0 5.44 4001 3983 B 107 ILE HD11 B 102 PHE HE% 1.0 0.0 4.86 4002 3984 B 107 ILE HG21 B 102 PHE HE% 1.0 0.0 5.50 4003 3985 B 102 PHE H B 102 PHE HBy 1.0 0.0 5.50 4004 3986 B 102 PHE H B 102 PHE HBx 1.0 0.0 5.50 4005 3987 B 102 PHE HD% B 102 PHE H 1.0 0.0 5.50 4006 3988 B 102 PHE H B 104 GLY H 1.0 0.0 5.50 4007 3989 B 102 PHE H B 105 ARG H 1.0 0.0 5.50 4008 3990 B 102 PHE H B 107 ILE H 1.0 0.0 5.50 4009 3991 B 103 ARG HA B 103 ARG HBx 1.0 0.0 5.14 4010 3992 B 103 ARG HDy B 103 ARG HA 1.0 0.0 5.50 4011 3993 B 103 ARG HDx B 103 ARG HA 1.0 0.0 5.50 4012 3994 B 103 ARG HA B 103 ARG HE 1.0 0.0 5.50 4013 3995 B 103 ARG HA B 103 ARG HGy 1.0 0.0 5.38 4014 3996 B 103 ARG HA B 103 ARG HGx 1.0 0.0 4.99 4015 3997 B 103 ARG HH1x B 103 ARG HA 1.0 0.0 5.50 4016 3998 B 103 ARG HA B 104 GLY HAy 1.0 0.0 5.50 4017 3999 B 104 GLY H B 103 ARG HA 1.0 0.0 5.07 4018 4000 B 103 ARG HE B 103 ARG HBy 1.0 0.0 5.50 4019 4001 B 103 ARG HDx B 103 ARG HBx 1.0 0.0 5.50 4020 4002 B 103 ARG HBx B 103 ARG HE 1.0 0.0 5.50 4021 4003 B 103 ARG HBx B 103 ARG HGy 1.0 0.0 5.50 4022 4004 B 104 GLY H B 103 ARG HBx 1.0 0.0 5.50 4023 4005 B 103 ARG HDy B 103 ARG HE 1.0 0.0 5.40 4024 4006 B 103 ARG HH1x B 103 ARG HDy 1.0 0.0 5.02 4025 4007 B 103 ARG HDx B 103 ARG HE 1.0 0.0 5.21 4026 4008 B 103 ARG HH1x B 103 ARG HDx 1.0 0.0 5.32 4027 4009 B 103 ARG HDy B 103 ARG HGy 1.0 0.0 5.20 4028 4010 B 103 ARG HDx B 103 ARG HGy 1.0 0.0 5.20 4029 4011 B 103 ARG HE B 103 ARG HGy 1.0 0.0 5.50 4030 4012 B 103 ARG HH1x B 103 ARG HGy 1.0 0.0 5.50 4031 4013 B 104 GLY H B 103 ARG HGy 1.0 0.0 5.50 4032 4014 B 103 ARG HDy B 103 ARG HGx 1.0 0.0 5.11 4033 4015 B 103 ARG HDx B 103 ARG HGx 1.0 0.0 5.14 4034 4016 B 104 GLY H B 103 ARG HGx 1.0 0.0 5.50 4035 4017 B 103 ARG HH1x B 103 ARG HE 1.0 0.0 5.33 4036 4018 B 103 ARG HA B 103 ARG H 1.0 0.0 4.61 4037 4019 B 103 ARG H B 103 ARG HBy 1.0 0.0 5.50 4038 4020 B 103 ARG H B 103 ARG HBx 1.0 0.0 5.50 4039 4021 B 103 ARG H B 103 ARG HGy 1.0 0.0 5.50 4040 4022 B 103 ARG H B 103 ARG HGx 1.0 0.0 5.50 4041 4023 B 103 ARG H B 104 GLY HAy 1.0 0.0 5.50 4042 4024 B 104 GLY H B 103 ARG H 1.0 0.0 5.50 4043 4025 B 104 GLY HAy B 105 ARG H 1.0 0.0 5.34 4044 4026 B 104 GLY HAy B 105 ARG H 1.0 0.0 5.50 4045 4027 B 104 GLY H B 104 GLY HAy 1.0 0.0 4.43 4046 4028 B 104 GLY H B 104 GLY HAy 1.0 0.0 4.55 4047 4029 B 104 GLY H B 105 ARG H 1.0 0.0 5.25 4048 4030 B 106 THR H B 105 ARG HA 1.0 0.0 4.40 4049 4031 B 105 ARG HBy B 105 ARG HDy 1.0 0.0 5.50 4050 4032 B 105 ARG HBy B 105 ARG HDx 1.0 0.0 5.06 4051 4033 B 105 ARG HBy B 106 THR H 1.0 0.0 5.50 4052 4034 B 105 ARG HBx B 105 ARG HDy 1.0 0.0 5.50 4053 4035 B 105 ARG HBx B 105 ARG HDx 1.0 0.0 5.09 4054 4036 B 105 ARG HBx B 106 THR H 1.0 0.0 5.45 4055 4037 B 105 ARG HDy B 105 ARG HE 1.0 0.0 4.95 4056 4038 B 105 ARG HDx B 105 ARG HE 1.0 0.0 5.25 4057 4039 B 105 ARG HDx B 105 ARG HGx 1.0 0.0 4.51 4058 4040 B 105 ARG HGx B 105 ARG HE 1.0 0.0 5.50 4059 4041 B 105 ARG HGx B 106 THR H 1.0 0.0 5.50 4060 4042 B 105 ARG H B 105 ARG HA 1.0 0.0 5.06 4061 4043 B 105 ARG HBy B 105 ARG H 1.0 0.0 5.23 4062 4044 B 105 ARG HBx B 105 ARG H 1.0 0.0 5.40 4063 4045 B 105 ARG HDy B 105 ARG H 1.0 0.0 5.50 4064 4046 B 105 ARG HDx B 105 ARG H 1.0 0.0 5.50 4065 4047 B 105 ARG H B 105 ARG HGy 1.0 0.0 5.50 4066 4048 B 105 ARG HGx B 105 ARG H 1.0 0.0 5.14 4067 4049 B 106 THR H B 105 ARG H 1.0 0.0 5.50 4068 4050 B 106 THR HB B 106 THR HA 1.0 0.0 5.26 4069 4051 B 106 THR HG21 B 106 THR HA 1.0 0.0 4.20 4070 4052 B 107 ILE HD11 B 106 THR HA 1.0 0.0 5.50 4071 4053 B 106 THR HA B 107 ILE H 1.0 0.0 5.03 4072 4054 B 106 THR HB B 106 THR HG21 1.0 0.0 3.81 4073 4055 B 106 THR HB B 107 ILE H 1.0 0.0 5.50 4074 4056 B 106 THR HG21 B 107 ILE H 1.0 0.0 4.83 4075 4057 B 106 THR H B 106 THR HA 1.0 0.0 5.50 4076 4058 B 106 THR HB B 106 THR H 1.0 0.0 4.65 4077 4059 B 106 THR HG21 B 106 THR H 1.0 0.0 4.66 4078 4060 B 107 ILE HB B 107 ILE HA 1.0 0.0 5.02 4079 4061 B 107 ILE HD11 B 107 ILE HA 1.0 0.0 5.50 4080 4062 B 107 ILE HG21 B 107 ILE HA 1.0 0.0 4.66 4081 4063 B 108 LYS H B 107 ILE HA 1.0 0.0 5.07 4082 4064 B 107 ILE HB B 107 ILE HD11 1.0 0.0 4.70 4083 4065 B 107 ILE HB B 107 ILE HG21 1.0 0.0 4.60 4084 4066 B 107 ILE HB B 108 LYS H 1.0 0.0 5.39 4085 4067 B 107 ILE HD11 B 108 LYS H 1.0 0.0 5.50 4086 4068 B 107 ILE HD11 B 107 ILE HG1y 1.0 0.0 4.66 4087 4069 B 107 ILE HD11 B 107 ILE HG1x 1.0 0.0 4.63 4088 4070 B 107 ILE HD11 B 107 ILE HG21 1.0 0.0 4.15 4089 4071 B 107 ILE HG21 B 108 LYS H 1.0 0.0 5.46 4090 4072 B 107 ILE HA B 107 ILE H 1.0 0.0 5.50 4091 4073 B 107 ILE HD11 B 107 ILE H 1.0 0.0 5.50 4092 4074 B 107 ILE HG21 B 107 ILE H 1.0 0.0 5.48 4093 4075 B 108 LYS H B 107 ILE H 1.0 0.0 5.50 4094 4076 B 108 LYS HBy B 108 LYS HA 1.0 0.0 5.02 4095 4077 B 108 LYS HDx B 108 LYS HA 1.0 0.0 4.76 4096 4078 B 108 LYS HA B 108 LYS HEy 1.0 0.0 5.50 4097 4079 B 108 LYS HA B 108 LYS HEx 1.0 0.0 5.50 4098 4080 B 108 LYS HGy B 108 LYS HA 1.0 0.0 5.50 4099 4081 B 108 LYS HGx B 108 LYS HA 1.0 0.0 5.50 4100 4082 B 108 LYS HA B 109 VAL H 1.0 0.0 4.83 4101 4083 B 108 LYS HBy B 108 LYS HEy 1.0 0.0 4.93 4102 4084 B 108 LYS HBy B 108 LYS HGy 1.0 0.0 4.88 4103 4085 B 108 LYS HBy B 109 VAL H 1.0 0.0 5.50 4104 4086 B 108 LYS HDx B 108 LYS HEy 1.0 0.0 4.34 4105 4087 B 108 LYS HDx B 108 LYS HEx 1.0 0.0 4.29 4106 4088 B 108 LYS HDx B 109 VAL H 1.0 0.0 5.37 4107 4089 B 110 LEU HD11 B 108 LYS HDx 1.0 0.0 4.91 4108 4090 B 110 LEU HD11 B 108 LYS HEy 1.0 0.0 5.50 4109 4091 B 110 LEU HD21 B 108 LYS HEy 1.0 0.0 5.50 4110 4092 B 110 LEU HD11 B 108 LYS HEx 1.0 0.0 5.50 4111 4093 B 110 LEU HD21 B 108 LYS HEx 1.0 0.0 5.30 4112 4094 B 108 LYS HDx B 108 LYS HGy 1.0 0.0 4.28 4113 4095 B 108 LYS HGy B 109 VAL H 1.0 0.0 5.50 4114 4096 B 110 LEU HD11 B 108 LYS HGy 1.0 0.0 5.50 4115 4097 B 108 LYS HDx B 108 LYS HGx 1.0 0.0 4.09 4116 4098 B 108 LYS HGx B 108 LYS HEy 1.0 0.0 5.02 4117 4099 B 108 LYS H B 108 LYS HA 1.0 0.0 5.50 4118 4100 B 108 LYS HBy B 108 LYS H 1.0 0.0 5.47 4119 4101 B 108 LYS HDx B 108 LYS H 1.0 0.0 5.50 4120 4102 B 108 LYS HGy B 108 LYS H 1.0 0.0 5.50 4121 4103 B 108 LYS HGx B 108 LYS H 1.0 0.0 5.50 4122 4104 B 108 LYS H B 109 VAL H 1.0 0.0 5.50 4123 4105 B 109 VAL HB B 109 VAL HA 1.0 0.0 5.50 4124 4106 B 109 VAL HA B 109 VAL HG11 1.0 0.0 4.89 4125 4107 B 109 VAL HA B 109 VAL HG21 1.0 0.0 4.87 4126 4108 B 110 LEU H B 109 VAL HA 1.0 0.0 4.92 4127 4109 B 109 VAL HB B 109 VAL HG11 1.0 0.0 3.97 4128 4110 B 109 VAL HB B 109 VAL HG21 1.0 0.0 4.41 4129 4111 B 110 LEU H B 109 VAL HB 1.0 0.0 5.50 4130 4112 B 110 LEU H B 109 VAL HG11 1.0 0.0 5.50 4131 4113 B 110 LEU H B 109 VAL HG21 1.0 0.0 5.16 4132 4114 B 109 VAL HA B 109 VAL H 1.0 0.0 5.50 4133 4115 B 109 VAL HB B 109 VAL H 1.0 0.0 5.33 4134 4116 B 109 VAL HG11 B 109 VAL H 1.0 0.0 5.39 4135 4117 B 109 VAL HG21 B 109 VAL H 1.0 0.0 5.50 4136 4118 B 110 LEU HA B 110 LEU HBx 1.0 0.0 5.50 4137 4119 B 110 LEU HD11 B 110 LEU HA 1.0 0.0 5.29 4138 4120 B 110 LEU HD21 B 110 LEU HA 1.0 0.0 3.91 4139 4121 B 110 LEU HG B 110 LEU HA 1.0 0.0 5.34 4140 4122 B 111 PRO HDy B 110 LEU HA 1.0 0.0 4.98 4141 4123 B 111 PRO HDx B 110 LEU HA 1.0 0.0 4.94 4142 4124 B 111 PRO HGy B 110 LEU HA 1.0 0.0 5.50 4143 4125 B 111 PRO HGx B 110 LEU HA 1.0 0.0 5.50 4144 4126 B 110 LEU HD11 B 110 LEU HBx 1.0 0.0 5.30 4145 4127 B 110 LEU HD21 B 110 LEU HBx 1.0 0.0 5.34 4146 4128 B 110 LEU HD11 B 110 LEU HD21 1.0 0.0 3.41 4147 4129 B 110 LEU HD11 B 111 PRO HDy 1.0 0.0 5.50 4148 4130 B 110 LEU HD21 B 111 PRO HDy 1.0 0.0 4.45 4149 4131 B 110 LEU HD21 B 111 PRO HDx 1.0 0.0 4.58 4150 4132 B 110 LEU HD21 B 111 PRO HGy 1.0 0.0 4.71 4151 4133 B 110 LEU HD21 B 111 PRO HGx 1.0 0.0 4.43 4152 4134 B 110 LEU HD11 B 110 LEU HG 1.0 0.0 3.87 4153 4135 B 110 LEU H B 110 LEU HA 1.0 0.0 5.50 4154 4136 B 110 LEU H B 110 LEU HBx 1.0 0.0 5.50 4155 4137 B 110 LEU HD11 B 110 LEU H 1.0 0.0 5.18 4156 4138 B 110 LEU H B 110 LEU HD21 1.0 0.0 5.37 4157 4139 B 110 LEU H B 110 LEU HG 1.0 0.0 5.50 4158 4140 B 110 LEU H B 111 PRO HDx 1.0 0.0 5.50 4159 4141 B 111 PRO HA B 111 PRO HGy 1.0 0.0 5.50 4160 4142 B 112 LYS HBx B 111 PRO HA 1.0 0.0 5.50 4161 4143 B 111 PRO HA B 112 LYS H 1.0 0.0 5.05 4162 4144 B 111 PRO HBy B 112 LYS H 1.0 0.0 5.50 4163 4145 B 111 PRO HBx B 111 PRO HGy 1.0 0.0 4.53 4164 4146 B 111 PRO HBx B 112 LYS H 1.0 0.0 5.50 4165 4147 B 111 PRO HBx B 111 PRO HDy 1.0 0.0 5.50 4166 4148 B 111 PRO HDy B 111 PRO HGy 1.0 0.0 4.69 4167 4149 B 111 PRO HBx B 111 PRO HDx 1.0 0.0 5.50 4168 4150 B 111 PRO HDx B 111 PRO HGy 1.0 0.0 4.78 4169 4151 B 111 PRO HA B 111 PRO HGx 1.0 0.0 5.20 4170 4152 B 111 PRO HBx B 111 PRO HGx 1.0 0.0 3.70 4171 4153 B 111 PRO HDx B 111 PRO HGx 1.0 0.0 4.62 4172 4154 B 112 LYS HBy B 112 LYS HA 1.0 0.0 5.43 4173 4155 B 112 LYS HBx B 112 LYS HA 1.0 0.0 5.50 4174 4156 B 112 LYS HA B 112 LYS HEy 1.0 0.0 5.50 4175 4157 B 112 LYS HEx B 112 LYS HA 1.0 0.0 5.50 4176 4158 B 112 LYS HA B 112 LYS HGy 1.0 0.0 5.50 4177 4159 B 112 LYS HA B 112 LYS HGx 1.0 0.0 5.50 4178 4160 B 112 LYS HA B 113 ARG H 1.0 0.0 4.77 4179 4161 B 112 LYS HEy B 112 LYS HGy 1.0 0.0 4.79 4180 4162 B 112 LYS HEx B 112 LYS HGy 1.0 0.0 4.63 4181 4163 B 112 LYS HA B 112 LYS H 1.0 0.0 5.25 4182 4164 B 112 LYS HBy B 112 LYS H 1.0 0.0 5.21 4183 4165 B 112 LYS HBx B 112 LYS H 1.0 0.0 5.28 4184 4166 B 112 LYS H B 112 LYS HGx 1.0 0.0 5.50 4185 4167 B 113 ARG HA B 113 ARG HBy 1.0 0.0 4.35 4186 4168 B 113 ARG HA B 113 ARG HBx 1.0 0.0 4.41 4187 4169 B 113 ARG HA B 113 ARG HDx 1.0 0.0 4.66 4188 4170 B 113 ARG HA B 113 ARG HGx 1.0 0.0 4.33 4189 4171 B 113 ARG HA B 114 THR H 1.0 0.0 4.03 4190 4172 B 113 ARG HBy B 114 THR H 1.0 0.0 5.12 4191 4173 B 113 ARG HDx B 114 THR H 1.0 0.0 5.50 4192 4174 B 113 ARG H B 113 ARG HA 1.0 0.0 5.14 4193 4175 B 114 THR HA B 114 THR HG21 1.0 0.0 3.32 4194 4176 B 114 THR HA B 115 ASN H 1.0 0.0 4.26 4195 4177 B 115 ASN H B 114 THR HB 1.0 0.0 5.21 4196 4178 B 114 THR HG21 B 115 ASN H 1.0 0.0 5.34 4197 4179 B 114 THR H B 114 THR HA 1.0 0.0 4.78 4198 4180 B 114 THR H B 114 THR HB 1.0 0.0 4.77 4199 4181 B 114 THR H B 114 THR HG21 1.0 0.0 4.49 4200 4182 B 114 THR H B 115 ASN HBx 1.0 0.0 5.50 4201 4183 B 114 THR H B 115 ASN H 1.0 0.0 5.30 4202 4184 B 115 ASN HBx B 115 ASN HA 1.0 0.0 4.19 4203 4185 B 115 ASN HBy B 115 ASN HD2x 1.0 0.0 5.48 4204 4186 B 115 ASN HBy B 115 ASN HD2y 1.0 0.0 5.50 4205 4187 B 115 ASN HBy B 116 MET H 1.0 0.0 5.50 4206 4188 B 115 ASN HBx B 115 ASN HD2x 1.0 0.0 5.35 4207 4189 B 115 ASN HBx B 115 ASN HD2y 1.0 0.0 5.50 4208 4190 B 115 ASN HBx B 116 MET H 1.0 0.0 5.50 4209 4191 B 115 ASN H B 115 ASN HA 1.0 0.0 4.35 4210 4192 B 115 ASN H B 115 ASN HBy 1.0 0.0 5.29 4211 4193 B 115 ASN H B 115 ASN HBx 1.0 0.0 4.71 4212 4194 B 115 ASN H B 116 MET H 1.0 0.0 4.70 4213 4195 B 117 PRO HBy B 118 GLY H 1.0 0.0 5.41 4214 4196 B 117 PRO HBy B 117 PRO HBx 1.0 0.0 3.05 4215 4197 B 118 GLY H B 117 PRO HBx 1.0 0.0 5.28 4216 4198 B 118 GLY H B 118 GLY HAy 1.0 0.0 3.90 4217 4199 B 118 GLY H B 118 GLY HAy 1.0 0.0 4.02 4218 4200 B 118 GLY H B 119 ILE H 1.0 0.0 5.29 4219 4201 B 119 ILE HA B 119 ILE HD11 1.0 0.0 5.22 4220 4202 B 119 ILE HA B 119 ILE HG1y 1.0 0.0 5.22 4221 4203 B 119 ILE HA B 119 ILE HG1x 1.0 0.0 5.50 4222 4204 B 119 ILE HA B 119 ILE HG21 1.0 0.0 4.30 4223 4205 B 119 ILE HA B 120 SER H 1.0 0.0 4.06 4224 4206 B 119 ILE HD11 B 119 ILE HB 1.0 0.0 4.66 4225 4207 B 119 ILE HG1y B 119 ILE HB 1.0 0.0 4.67 4226 4208 B 119 ILE HG1x B 119 ILE HB 1.0 0.0 5.07 4227 4209 B 119 ILE HD11 B 119 ILE HG1y 1.0 0.0 4.56 4228 4210 B 119 ILE HD11 B 119 ILE HG1x 1.0 0.0 4.11 4229 4211 B 119 ILE HG21 B 119 ILE HB 1.0 0.0 4.09 4230 4212 B 119 ILE H B 119 ILE HA 1.0 0.0 4.74 4231 4213 B 119 ILE H B 119 ILE HB 1.0 0.0 4.26 4232 4214 B 119 ILE H B 119 ILE HG1y 1.0 0.0 5.10 4233 4215 B 119 ILE H B 119 ILE HG1x 1.0 0.0 4.74 4234 4216 B 119 ILE H B 119 ILE HG21 1.0 0.0 5.01 4235 4217 B 119 ILE H B 120 SER H 1.0 0.0 4.59 4236 4218 B 120 SER HA B 120 SER HBx 1.0 0.0 4.04 4237 4219 B 120 SER H B 120 SER HA 1.0 0.0 4.54 4238 4220 B 120 SER H B 120 SER HBx 1.0 0.0 4.36 4239 4221 B 121 SER HA B 122 THR H 1.0 0.0 4.31 4240 4222 B 121 SER HA B 121 SER H 1.0 0.0 5.50 4241 4223 B 123 ASP HA B 123 ASP HBx 1.0 0.0 4.46 4242 4224 B 123 ASP HA B 124 ARG H 1.0 0.0 4.12 4243 4225 B 123 ASP HBx B 124 ARG H 1.0 0.0 5.37 4244 4226 B 123 ASP HBx B 123 ASP H 1.0 0.0 5.24 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 28 ALA O A 32 LYS N 1.0 0.0 3.4 2 2 A 29 GLU O A 33 GLU N 1.0 0.0 3.4 3 3 A 30 GLU O A 34 ILE N 1.0 0.0 3.4 4 4 A 31 LYS O A 35 ASP N 1.0 0.0 3.4 5 5 A 50 ALA O A 54 GLU N 1.0 0.0 3.4 6 6 A 51 GLN O A 55 ALA N 1.0 0.0 3.4 7 7 A 52 ASP O A 56 HIS N 1.0 0.0 3.4 8 8 A 53 LEU O A 57 PHE N 1.0 0.0 3.4 9 9 A 54 GLU O A 58 SER N 1.0 0.0 3.4 10 10 A 55 ALA O A 59 SER N 1.0 0.0 3.4 11 11 A 88 ARG O A 92 ASP N 1.0 0.0 3.4 12 12 A 89 ASN O A 93 ALA N 1.0 0.0 3.4 13 13 A 90 SER O A 94 ALA N 1.0 0.0 3.4 14 14 A 91 VAL O A 95 VAL N 1.0 0.0 3.4 15 15 B 28 ALA O B 32 LYS N 1.0 0.0 3.4 16 16 B 29 GLU O B 33 GLU N 1.0 0.0 3.4 17 17 B 30 GLU O B 34 ILE N 1.0 0.0 3.4 18 18 B 31 LYS O B 35 ASP N 1.0 0.0 3.4 19 19 B 50 ALA O B 54 GLU N 1.0 0.0 3.4 20 20 B 51 GLN O B 55 ALA N 1.0 0.0 3.4 21 21 B 52 ASP O B 56 HIS N 1.0 0.0 3.4 22 22 B 53 LEU O B 57 PHE N 1.0 0.0 3.4 23 23 B 54 GLU O B 58 SER N 1.0 0.0 3.4 24 24 B 55 ALA O B 59 SER N 1.0 0.0 3.4 25 25 B 88 ARG O B 92 ASP N 1.0 0.0 3.4 26 26 B 89 ASN O B 93 ALA N 1.0 0.0 3.4 27 27 B 90 SER O B 94 ALA N 1.0 0.0 3.4 28 28 B 91 VAL O B 95 VAL N 1.0 0.0 3.4 29 29 A 110 LEU O A 40 TYR N 1.0 0.0 3.4 30 30 A 40 TYR O A 110 LEU N 1.0 0.0 3.4 31 31 A 108 LYS O A 42 GLY N 1.0 0.0 3.4 32 32 A 42 GLY O A 108 LYS N 1.0 0.0 3.4 33 33 A 83 ILE O A 39 VAL N 1.0 0.0 3.4 34 34 A 39 VAL O A 83 ILE N 1.0 0.0 3.4 35 35 A 81 ALA O A 41 VAL N 1.0 0.0 3.4 36 36 A 65 ARG O A 84 GLU N 1.0 0.0 3.4 37 37 A 67 THR O A 82 TYR N 1.0 0.0 3.4 38 38 A 82 TYR O A 67 THR N 1.0 0.0 3.4 39 39 A 69 LEU O A 80 TYR N 1.0 0.0 3.4 40 40 A 80 TYR O A 69 LEU N 1.0 0.0 3.4 41 41 A 71 ASP O A 78 LYS N 1.0 0.0 3.4 42 42 A 78 LYS O A 71 ASP N 1.0 0.0 3.4 43 43 B 110 LEU O B 40 TYR N 1.0 0.0 3.4 44 44 B 40 TYR O B 110 LEU N 1.0 0.0 3.4 45 45 B 108 LYS O B 42 GLY N 1.0 0.0 3.4 46 46 B 42 GLY O B 108 LYS N 1.0 0.0 3.4 47 47 B 83 ILE O B 39 VAL N 1.0 0.0 3.4 48 48 B 39 VAL O B 83 ILE N 1.0 0.0 3.4 49 49 B 81 ALA O B 41 VAL N 1.0 0.0 3.4 50 50 B 65 ARG O B 84 GLU N 1.0 0.0 3.4 51 51 B 67 THR O B 82 TYR N 1.0 0.0 3.4 52 52 B 82 TYR O B 67 THR N 1.0 0.0 3.4 53 53 B 69 LEU O B 80 TYR N 1.0 0.0 3.4 54 54 B 80 TYR O B 69 LEU N 1.0 0.0 3.4 55 55 B 71 ASP O B 78 LYS N 1.0 0.0 3.4 56 56 B 78 LYS O B 71 ASP N 1.0 0.0 3.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ALA C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -123.10 -75.22 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 ALA N 1.0 110.90 135.77 PSI 3 3 A 22 PRO N A 22 PRO CA A 22 PRO C A 23 PRO N 1.0 -64.20 -21.10 PSI 4 4 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 GLN N 1.0 124.58 165.17 PSI 5 5 A 23 PRO C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -134.40 -54.41 PHI 6 6 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 PRO N 1.0 122.03 168.98 PSI 7 7 A 26 LEU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -137.50 -54.52 PHI 8 8 A 27 SER N A 27 SER CA A 27 SER C A 28 ALA N 1.0 146.81 187.67 PSI 9 9 A 27 SER C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -70.22 -48.83 PHI 10 10 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 GLU N 1.0 -45.51 -27.03 PSI 11 11 A 28 ALA C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -75.77 -60.59 PHI 12 12 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLU N 1.0 -51.70 -30.58 PSI 13 13 A 29 GLU C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -75.98 -55.88 PHI 14 14 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LYS N 1.0 -51.30 -35.37 PSI 15 15 A 30 GLU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -73.87 -52.06 PHI 16 16 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LYS N 1.0 -50.09 -35.98 PSI 17 17 A 31 LYS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -75.72 -53.46 PHI 18 18 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 GLU N 1.0 -46.39 -29.92 PSI 19 19 A 32 LYS C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -70.40 -60.44 PHI 20 20 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 ILE N 1.0 -49.76 -32.36 PSI 21 21 A 33 GLU C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -69.67 -59.83 PHI 22 22 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 ASP N 1.0 -50.27 -36.32 PSI 23 23 A 34 ILE C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -75.73 -56.71 PHI 24 24 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 LYS N 1.0 -56.90 -20.27 PSI 25 25 A 35 ASP C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -77.55 -54.54 PHI 26 26 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ARG N 1.0 -40.86 -11.25 PSI 27 27 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -160.30 -97.19 PHI 28 28 A 38 SER N A 38 SER CA A 38 SER C A 39 VAL N 1.0 121.88 175.22 PSI 29 29 A 38 SER C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -148.00 -102.70 PHI 30 30 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 TYR N 1.0 133.75 163.39 PSI 31 31 A 39 VAL C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -152.10 -89.28 PHI 32 32 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 VAL N 1.0 105.58 144.34 PSI 33 33 A 40 TYR C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -134.40 -98.75 PHI 34 34 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLY N 1.0 106.84 167.95 PSI 35 35 A 41 VAL C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -158.80 -78.22 PHI 36 36 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ASN N 1.0 113.71 183.46 PSI 37 37 A 44 VAL C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -126.20 -40.07 PHI 38 38 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 TYR N 1.0 86.39 166.13 PSI 39 39 A 48 SER C A 49 THR N A 49 THR CA A 49 THR C 1.0 -149.70 -66.39 PHI 40 40 A 49 THR N A 49 THR CA A 49 THR C A 50 ALA N 1.0 152.69 177.92 PSI 41 41 A 49 THR C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -75.00 -46.83 PHI 42 42 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLN N 1.0 -49.76 -21.92 PSI 43 43 A 50 ALA C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -67.19 -59.48 PHI 44 44 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 ASP N 1.0 -52.88 -33.53 PSI 45 45 A 51 GLN C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -72.99 -56.16 PHI 46 46 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 LEU N 1.0 -47.71 -28.72 PSI 47 47 A 52 ASP C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -72.80 -56.21 PHI 48 48 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLU N 1.0 -45.86 -34.61 PSI 49 49 A 53 LEU C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -68.70 -59.67 PHI 50 50 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ALA N 1.0 -47.00 -29.29 PSI 51 51 A 54 GLU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -70.95 -56.52 PHI 52 52 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 HIS N 1.0 -47.17 -33.73 PSI 53 53 A 55 ALA C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -75.11 -55.10 PHI 54 54 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 PHE N 1.0 -56.72 -28.55 PSI 55 55 A 56 HIS C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -78.92 -50.57 PHI 56 56 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 SER N 1.0 -54.63 -23.70 PSI 57 57 A 57 PHE C A 58 SER N A 58 SER CA A 58 SER C 1.0 -71.17 -60.07 PHI 58 58 A 58 SER N A 58 SER CA A 58 SER C A 59 SER N 1.0 -46.10 -24.68 PSI 59 59 A 58 SER C A 59 SER N A 59 SER CA A 59 SER C 1.0 -76.18 -59.11 PHI 60 60 A 59 SER N A 59 SER CA A 59 SER C A 60 CYS N 1.0 -48.95 -18.02 PSI 61 61 A 64 ASN C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -171.70 -126.30 PHI 62 62 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 ILE N 1.0 138.14 167.78 PSI 63 63 A 65 ARG C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -148.10 -123.80 PHI 64 64 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 THR N 1.0 121.15 143.71 PSI 65 65 A 66 ILE C A 67 THR N A 67 THR CA A 67 THR C 1.0 -124.60 -96.61 PHI 66 66 A 67 THR N A 67 THR CA A 67 THR C A 68 ILE N 1.0 116.80 141.47 PSI 67 67 A 67 THR C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -147.20 -104.10 PHI 68 68 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 LEU N 1.0 109.65 143.52 PSI 69 69 A 68 ILE C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -118.30 -89.20 PHI 70 70 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 CYS N 1.0 109.50 155.64 PSI 71 71 A 69 LEU C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -116.30 -92.65 PHI 72 72 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 ASP N 1.0 110.88 154.68 PSI 73 73 A 70 CYS C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -140.30 -89.28 PHI 74 74 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 LYS N 1.0 116.13 152.25 PSI 75 75 A 72 LYS C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -84.42 -44.64 PHI 76 76 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 SER N 1.0 -69.58 -2.62 PSI 77 77 A 75 GLY C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -95.00 -65.00 PHI 78 78 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 PRO N 1.0 113.00 161.00 PSI 79 79 A 77 PRO N A 77 PRO CA A 77 PRO C A 78 LYS N 1.0 120.49 171.64 PSI 80 80 A 79 GLY C A 80 TYR N A 80 TYR CA A 80 TYR C 1.0 -168.20 -115.30 PHI 81 81 A 80 TYR N A 80 TYR CA A 80 TYR C A 81 ALA N 1.0 143.66 175.49 PSI 82 82 A 80 TYR C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -165.00 -93.25 PHI 83 83 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 TYR N 1.0 129.93 172.80 PSI 84 84 A 81 ALA C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -139.40 -97.87 PHI 85 85 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 ILE N 1.0 115.83 165.24 PSI 86 86 A 82 TYR C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -142.20 -88.98 PHI 87 87 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 GLU N 1.0 104.03 154.98 PSI 88 88 A 83 ILE C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -121.60 -81.37 PHI 89 89 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 PHE N 1.0 120.09 134.52 PSI 90 90 A 87 GLU C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -74.71 -45.76 PHI 91 91 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 ASN N 1.0 -49.83 -20.16 PSI 92 92 A 88 ARG C A 89 ASN N A 89 ASN CA A 89 ASN C 1.0 -76.08 -56.64 PHI 93 93 A 89 ASN N A 89 ASN CA A 89 ASN C A 90 SER N 1.0 -52.52 -21.32 PSI 94 94 A 89 ASN C A 90 SER N A 90 SER CA A 90 SER C 1.0 -70.97 -63.32 PHI 95 95 A 90 SER N A 90 SER CA A 90 SER C A 91 VAL N 1.0 -47.32 -37.57 PSI 96 96 A 90 SER C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -69.36 -54.15 PHI 97 97 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 ASP N 1.0 -53.90 -39.35 PSI 98 98 A 91 VAL C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -68.27 -51.53 PHI 99 99 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 ALA N 1.0 -48.48 -31.32 PSI 100 100 A 92 ASP C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -72.77 -54.74 PHI 101 101 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 ALA N 1.0 -53.76 -31.61 PSI 102 102 A 93 ALA C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -76.07 -58.79 PHI 103 103 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 VAL N 1.0 -44.62 -30.73 PSI 104 104 A 94 ALA C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -75.49 -51.29 PHI 105 105 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 ALA N 1.0 -55.82 -23.54 PSI 106 106 A 95 VAL C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -77.03 -57.66 PHI 107 107 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 MET N 1.0 -36.81 -9.75 PSI 108 108 A 96 ALA C A 97 MET N A 97 MET CA A 97 MET C 1.0 -110.90 -69.31 PHI 109 109 A 97 MET N A 97 MET CA A 97 MET C A 98 ASP N 1.0 -35.93 31.18 PSI 110 110 A 97 MET C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -119.30 -37.66 PHI 111 111 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 GLU N 1.0 -59.78 20.46 PSI 112 112 A 101 VAL C A 102 PHE N A 102 PHE CA A 102 PHE C 1.0 -157.20 -85.59 PHI 113 113 A 102 PHE N A 102 PHE CA A 102 PHE C A 103 ARG N 1.0 108.87 143.31 PSI 114 114 A 102 PHE C A 103 ARG N A 103 ARG CA A 103 ARG C 1.0 43.44 62.94 PHI 115 115 A 103 ARG N A 103 ARG CA A 103 ARG C A 104 GLY N 1.0 34.59 52.67 PSI 116 116 A 105 ARG C A 106 THR N A 106 THR CA A 106 THR C 1.0 -122.00 -62.53 PHI 117 117 A 106 THR N A 106 THR CA A 106 THR C A 107 ILE N 1.0 121.06 141.43 PSI 118 118 A 106 THR C A 107 ILE N A 107 ILE CA A 107 ILE C 1.0 -136.50 -105.30 PHI 119 119 A 107 ILE N A 107 ILE CA A 107 ILE C A 108 LYS N 1.0 109.12 170.50 PSI 120 120 A 107 ILE C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -138.30 -107.70 PHI 121 121 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 VAL N 1.0 113.45 149.06 PSI 122 122 A 108 LYS C A 109 VAL N A 109 VAL CA A 109 VAL C 1.0 -126.30 -98.82 PHI 123 123 A 109 VAL N A 109 VAL CA A 109 VAL C A 110 LEU N 1.0 112.80 138.35 PSI 124 124 A 109 VAL C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -145.90 -96.82 PHI 125 125 A 110 LEU N A 110 LEU CA A 110 LEU C A 111 PRO N 1.0 118.24 168.82 PSI 126 126 A 111 PRO N A 111 PRO CA A 111 PRO C A 112 LYS N 1.0 130.46 150.79 PSI 127 127 A 123 ASP C A 124 ARG N A 124 ARG CA A 124 ARG C 1.0 -134.60 -95.44 PHI 128 128 B 1 ALA C B 2 ILE N B 2 ILE CA B 2 ILE C 1.0 -123.10 -75.22 PHI 129 129 B 2 ILE N B 2 ILE CA B 2 ILE C B 3 ALA N 1.0 110.90 135.77 PSI 130 130 B 22 PRO N B 22 PRO CA B 22 PRO C B 23 PRO N 1.0 -64.20 -21.10 PSI 131 131 B 23 PRO N B 23 PRO CA B 23 PRO C B 24 GLN N 1.0 124.58 165.17 PSI 132 132 B 23 PRO C B 24 GLN N B 24 GLN CA B 24 GLN C 1.0 -134.40 -54.41 PHI 133 133 B 24 GLN N B 24 GLN CA B 24 GLN C B 25 PRO N 1.0 122.03 168.98 PSI 134 134 B 26 LEU C B 27 SER N B 27 SER CA B 27 SER C 1.0 -137.50 -54.52 PHI 135 135 B 27 SER N B 27 SER CA B 27 SER C B 28 ALA N 1.0 146.81 187.67 PSI 136 136 B 27 SER C B 28 ALA N B 28 ALA CA B 28 ALA C 1.0 -70.22 -48.83 PHI 137 137 B 28 ALA N B 28 ALA CA B 28 ALA C B 29 GLU N 1.0 -45.51 -27.03 PSI 138 138 B 28 ALA C B 29 GLU N B 29 GLU CA B 29 GLU C 1.0 -75.77 -60.59 PHI 139 139 B 29 GLU N B 29 GLU CA B 29 GLU C B 30 GLU N 1.0 -51.70 -30.58 PSI 140 140 B 29 GLU C B 30 GLU N B 30 GLU CA B 30 GLU C 1.0 -75.98 -55.88 PHI 141 141 B 30 GLU N B 30 GLU CA B 30 GLU C B 31 LYS N 1.0 -51.30 -35.37 PSI 142 142 B 30 GLU C B 31 LYS N B 31 LYS CA B 31 LYS C 1.0 -73.87 -52.06 PHI 143 143 B 31 LYS N B 31 LYS CA B 31 LYS C B 32 LYS N 1.0 -50.09 -35.98 PSI 144 144 B 31 LYS C B 32 LYS N B 32 LYS CA B 32 LYS C 1.0 -75.72 -53.46 PHI 145 145 B 32 LYS N B 32 LYS CA B 32 LYS C B 33 GLU N 1.0 -46.39 -29.92 PSI 146 146 B 32 LYS C B 33 GLU N B 33 GLU CA B 33 GLU C 1.0 -70.40 -60.44 PHI 147 147 B 33 GLU N B 33 GLU CA B 33 GLU C B 34 ILE N 1.0 -49.76 -32.36 PSI 148 148 B 33 GLU C B 34 ILE N B 34 ILE CA B 34 ILE C 1.0 -69.67 -59.83 PHI 149 149 B 34 ILE N B 34 ILE CA B 34 ILE C B 35 ASP N 1.0 -50.27 -36.32 PSI 150 150 B 34 ILE C B 35 ASP N B 35 ASP CA B 35 ASP C 1.0 -75.73 -56.71 PHI 151 151 B 35 ASP N B 35 ASP CA B 35 ASP C B 36 LYS N 1.0 -56.90 -20.27 PSI 152 152 B 35 ASP C B 36 LYS N B 36 LYS CA B 36 LYS C 1.0 -77.55 -54.54 PHI 153 153 B 36 LYS N B 36 LYS CA B 36 LYS C B 37 ARG N 1.0 -40.86 -11.25 PSI 154 154 B 37 ARG C B 38 SER N B 38 SER CA B 38 SER C 1.0 -160.30 -97.19 PHI 155 155 B 38 SER N B 38 SER CA B 38 SER C B 39 VAL N 1.0 121.88 175.22 PSI 156 156 B 38 SER C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -148.00 -102.70 PHI 157 157 B 39 VAL N B 39 VAL CA B 39 VAL C B 40 TYR N 1.0 133.75 163.39 PSI 158 158 B 39 VAL C B 40 TYR N B 40 TYR CA B 40 TYR C 1.0 -152.10 -89.28 PHI 159 159 B 40 TYR N B 40 TYR CA B 40 TYR C B 41 VAL N 1.0 105.58 144.34 PSI 160 160 B 40 TYR C B 41 VAL N B 41 VAL CA B 41 VAL C 1.0 -134.40 -98.75 PHI 161 161 B 41 VAL N B 41 VAL CA B 41 VAL C B 42 GLY N 1.0 106.84 167.95 PSI 162 162 B 41 VAL C B 42 GLY N B 42 GLY CA B 42 GLY C 1.0 -158.80 -78.22 PHI 163 163 B 42 GLY N B 42 GLY CA B 42 GLY C B 43 ASN N 1.0 113.71 183.46 PSI 164 164 B 44 VAL C B 45 ASP N B 45 ASP CA B 45 ASP C 1.0 -126.20 -40.07 PHI 165 165 B 45 ASP N B 45 ASP CA B 45 ASP C B 46 TYR N 1.0 86.39 166.13 PSI 166 166 B 48 SER C B 49 THR N B 49 THR CA B 49 THR C 1.0 -149.70 -66.39 PHI 167 167 B 49 THR N B 49 THR CA B 49 THR C B 50 ALA N 1.0 152.69 177.92 PSI 168 168 B 49 THR C B 50 ALA N B 50 ALA CA B 50 ALA C 1.0 -75.00 -46.83 PHI 169 169 B 50 ALA N B 50 ALA CA B 50 ALA C B 51 GLN N 1.0 -49.76 -21.92 PSI 170 170 B 50 ALA C B 51 GLN N B 51 GLN CA B 51 GLN C 1.0 -67.19 -59.48 PHI 171 171 B 51 GLN N B 51 GLN CA B 51 GLN C B 52 ASP N 1.0 -52.88 -33.53 PSI 172 172 B 51 GLN C B 52 ASP N B 52 ASP CA B 52 ASP C 1.0 -72.99 -56.16 PHI 173 173 B 52 ASP N B 52 ASP CA B 52 ASP C B 53 LEU N 1.0 -47.71 -28.72 PSI 174 174 B 52 ASP C B 53 LEU N B 53 LEU CA B 53 LEU C 1.0 -72.80 -56.21 PHI 175 175 B 53 LEU N B 53 LEU CA B 53 LEU C B 54 GLU N 1.0 -45.86 -34.61 PSI 176 176 B 53 LEU C B 54 GLU N B 54 GLU CA B 54 GLU C 1.0 -68.70 -59.67 PHI 177 177 B 54 GLU N B 54 GLU CA B 54 GLU C B 55 ALA N 1.0 -47.00 -29.29 PSI 178 178 B 54 GLU C B 55 ALA N B 55 ALA CA B 55 ALA C 1.0 -70.95 -56.52 PHI 179 179 B 55 ALA N B 55 ALA CA B 55 ALA C B 56 HIS N 1.0 -47.17 -33.73 PSI 180 180 B 55 ALA C B 56 HIS N B 56 HIS CA B 56 HIS C 1.0 -75.11 -55.10 PHI 181 181 B 56 HIS N B 56 HIS CA B 56 HIS C B 57 PHE N 1.0 -56.72 -28.55 PSI 182 182 B 56 HIS C B 57 PHE N B 57 PHE CA B 57 PHE C 1.0 -78.92 -50.57 PHI 183 183 B 57 PHE N B 57 PHE CA B 57 PHE C B 58 SER N 1.0 -54.63 -23.70 PSI 184 184 B 57 PHE C B 58 SER N B 58 SER CA B 58 SER C 1.0 -71.17 -60.07 PHI 185 185 B 58 SER N B 58 SER CA B 58 SER C B 59 SER N 1.0 -46.10 -24.68 PSI 186 186 B 58 SER C B 59 SER N B 59 SER CA B 59 SER C 1.0 -76.18 -59.11 PHI 187 187 B 59 SER N B 59 SER CA B 59 SER C B 60 CYS N 1.0 -48.95 -18.02 PSI 188 188 B 64 ASN C B 65 ARG N B 65 ARG CA B 65 ARG C 1.0 -171.70 -126.30 PHI 189 189 B 65 ARG N B 65 ARG CA B 65 ARG C B 66 ILE N 1.0 138.14 167.78 PSI 190 190 B 65 ARG C B 66 ILE N B 66 ILE CA B 66 ILE C 1.0 -148.10 -123.80 PHI 191 191 B 66 ILE N B 66 ILE CA B 66 ILE C B 67 THR N 1.0 121.15 143.71 PSI 192 192 B 66 ILE C B 67 THR N B 67 THR CA B 67 THR C 1.0 -124.60 -96.61 PHI 193 193 B 67 THR N B 67 THR CA B 67 THR C B 68 ILE N 1.0 116.80 141.47 PSI 194 194 B 67 THR C B 68 ILE N B 68 ILE CA B 68 ILE C 1.0 -147.20 -104.10 PHI 195 195 B 68 ILE N B 68 ILE CA B 68 ILE C B 69 LEU N 1.0 109.65 143.52 PSI 196 196 B 68 ILE C B 69 LEU N B 69 LEU CA B 69 LEU C 1.0 -118.30 -89.20 PHI 197 197 B 69 LEU N B 69 LEU CA B 69 LEU C B 70 CYS N 1.0 109.50 155.64 PSI 198 198 B 69 LEU C B 70 CYS N B 70 CYS CA B 70 CYS C 1.0 -116.30 -92.65 PHI 199 199 B 70 CYS N B 70 CYS CA B 70 CYS C B 71 ASP N 1.0 110.88 154.68 PSI 200 200 B 70 CYS C B 71 ASP N B 71 ASP CA B 71 ASP C 1.0 -140.30 -89.28 PHI 201 201 B 71 ASP N B 71 ASP CA B 71 ASP C B 72 LYS N 1.0 116.13 152.25 PSI 202 202 B 72 LYS C B 73 PHE N B 73 PHE CA B 73 PHE C 1.0 -84.42 -44.64 PHI 203 203 B 73 PHE N B 73 PHE CA B 73 PHE C B 74 SER N 1.0 -69.58 -2.62 PSI 204 204 B 75 GLY C B 76 HIS N B 76 HIS CA B 76 HIS C 1.0 -95.00 -65.00 PHI 205 205 B 76 HIS N B 76 HIS CA B 76 HIS C B 77 PRO N 1.0 113.00 161.00 PSI 206 206 B 77 PRO N B 77 PRO CA B 77 PRO C B 78 LYS N 1.0 120.49 171.64 PSI 207 207 B 79 GLY C B 80 TYR N B 80 TYR CA B 80 TYR C 1.0 -168.20 -115.30 PHI 208 208 B 80 TYR N B 80 TYR CA B 80 TYR C B 81 ALA N 1.0 143.66 175.49 PSI 209 209 B 80 TYR C B 81 ALA N B 81 ALA CA B 81 ALA C 1.0 -165.00 -93.25 PHI 210 210 B 81 ALA N B 81 ALA CA B 81 ALA C B 82 TYR N 1.0 129.93 172.80 PSI 211 211 B 81 ALA C B 82 TYR N B 82 TYR CA B 82 TYR C 1.0 -139.40 -97.87 PHI 212 212 B 82 TYR N B 82 TYR CA B 82 TYR C B 83 ILE N 1.0 115.83 165.24 PSI 213 213 B 82 TYR C B 83 ILE N B 83 ILE CA B 83 ILE C 1.0 -142.20 -88.98 PHI 214 214 B 83 ILE N B 83 ILE CA B 83 ILE C B 84 GLU N 1.0 104.03 154.98 PSI 215 215 B 83 ILE C B 84 GLU N B 84 GLU CA B 84 GLU C 1.0 -121.60 -81.37 PHI 216 216 B 84 GLU N B 84 GLU CA B 84 GLU C B 85 PHE N 1.0 120.09 134.52 PSI 217 217 B 87 GLU C B 88 ARG N B 88 ARG CA B 88 ARG C 1.0 -74.71 -45.76 PHI 218 218 B 88 ARG N B 88 ARG CA B 88 ARG C B 89 ASN N 1.0 -49.83 -20.16 PSI 219 219 B 88 ARG C B 89 ASN N B 89 ASN CA B 89 ASN C 1.0 -76.08 -56.64 PHI 220 220 B 89 ASN N B 89 ASN CA B 89 ASN C B 90 SER N 1.0 -52.52 -21.32 PSI 221 221 B 89 ASN C B 90 SER N B 90 SER CA B 90 SER C 1.0 -70.97 -63.32 PHI 222 222 B 90 SER N B 90 SER CA B 90 SER C B 91 VAL N 1.0 -47.32 -37.57 PSI 223 223 B 90 SER C B 91 VAL N B 91 VAL CA B 91 VAL C 1.0 -69.36 -54.15 PHI 224 224 B 91 VAL N B 91 VAL CA B 91 VAL C B 92 ASP N 1.0 -53.90 -39.35 PSI 225 225 B 91 VAL C B 92 ASP N B 92 ASP CA B 92 ASP C 1.0 -68.27 -51.53 PHI 226 226 B 92 ASP N B 92 ASP CA B 92 ASP C B 93 ALA N 1.0 -48.48 -31.32 PSI 227 227 B 92 ASP C B 93 ALA N B 93 ALA CA B 93 ALA C 1.0 -72.77 -54.74 PHI 228 228 B 93 ALA N B 93 ALA CA B 93 ALA C B 94 ALA N 1.0 -53.76 -31.61 PSI 229 229 B 93 ALA C B 94 ALA N B 94 ALA CA B 94 ALA C 1.0 -76.07 -58.79 PHI 230 230 B 94 ALA N B 94 ALA CA B 94 ALA C B 95 VAL N 1.0 -44.62 -30.73 PSI 231 231 B 94 ALA C B 95 VAL N B 95 VAL CA B 95 VAL C 1.0 -75.49 -51.29 PHI 232 232 B 95 VAL N B 95 VAL CA B 95 VAL C B 96 ALA N 1.0 -55.82 -23.54 PSI 233 233 B 95 VAL C B 96 ALA N B 96 ALA CA B 96 ALA C 1.0 -77.03 -57.66 PHI 234 234 B 96 ALA N B 96 ALA CA B 96 ALA C B 97 MET N 1.0 -36.81 -9.75 PSI 235 235 B 96 ALA C B 97 MET N B 97 MET CA B 97 MET C 1.0 -110.90 -69.31 PHI 236 236 B 97 MET N B 97 MET CA B 97 MET C B 98 ASP N 1.0 -35.93 31.18 PSI 237 237 B 97 MET C B 98 ASP N B 98 ASP CA B 98 ASP C 1.0 -119.30 -37.66 PHI 238 238 B 98 ASP N B 98 ASP CA B 98 ASP C B 99 GLU N 1.0 -59.78 20.46 PSI 239 239 B 101 VAL C B 102 PHE N B 102 PHE CA B 102 PHE C 1.0 -157.20 -85.59 PHI 240 240 B 102 PHE N B 102 PHE CA B 102 PHE C B 103 ARG N 1.0 108.87 143.31 PSI 241 241 B 102 PHE C B 103 ARG N B 103 ARG CA B 103 ARG C 1.0 43.44 62.94 PHI 242 242 B 103 ARG N B 103 ARG CA B 103 ARG C B 104 GLY N 1.0 34.59 52.67 PSI 243 243 B 105 ARG C B 106 THR N B 106 THR CA B 106 THR C 1.0 -122.00 -62.53 PHI 244 244 B 106 THR N B 106 THR CA B 106 THR C B 107 ILE N 1.0 121.06 141.43 PSI 245 245 B 106 THR C B 107 ILE N B 107 ILE CA B 107 ILE C 1.0 -136.50 -105.30 PHI 246 246 B 107 ILE N B 107 ILE CA B 107 ILE C B 108 LYS N 1.0 109.12 170.50 PSI 247 247 B 107 ILE C B 108 LYS N B 108 LYS CA B 108 LYS C 1.0 -138.30 -107.70 PHI 248 248 B 108 LYS N B 108 LYS CA B 108 LYS C B 109 VAL N 1.0 113.45 149.06 PSI 249 249 B 108 LYS C B 109 VAL N B 109 VAL CA B 109 VAL C 1.0 -126.30 -98.82 PHI 250 250 B 109 VAL N B 109 VAL CA B 109 VAL C B 110 LEU N 1.0 112.80 138.35 PSI 251 251 B 109 VAL C B 110 LEU N B 110 LEU CA B 110 LEU C 1.0 -145.90 -96.82 PHI 252 252 B 110 LEU N B 110 LEU CA B 110 LEU C B 111 PRO N 1.0 118.24 168.82 PSI 253 253 B 111 PRO N B 111 PRO CA B 111 PRO C B 112 LYS N 1.0 130.46 150.79 PSI 254 254 B 123 ASP C B 124 ARG N B 124 ARG CA B 124 ARG C 1.0 -134.60 -95.44 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 19 THR N A 19 THR H 1.0 . . . 2 2 A 20 GLU N A 20 GLU H 1.0 . . . 3 3 A 21 GLY N A 21 GLY H 1.0 . . . 4 4 A 24 GLN N A 24 GLN H 1.0 . . . 5 5 A 26 LEU N A 26 LEU H 1.0 . . . 6 6 A 27 SER N A 27 SER H 1.0 . . . 7 7 A 28 ALA N A 28 ALA H 1.0 . . . 8 8 A 29 GLU N A 29 GLU H 1.0 . . . 9 9 A 30 GLU N A 30 GLU H 1.0 . . . 10 10 A 31 LYS N A 31 LYS H 1.0 . . . 11 11 A 32 LYS N A 32 LYS H 1.0 . . . 12 12 A 33 GLU N A 33 GLU H 1.0 . . . 13 13 A 34 ILE N A 34 ILE H 1.0 . . . 14 14 A 35 ASP N A 35 ASP H 1.0 . . . 15 15 A 36 LYS N A 36 LYS H 1.0 . . . 16 16 A 37 ARG N A 37 ARG H 1.0 . . . 17 17 A 38 SER N A 38 SER H 1.0 . . . 18 18 A 39 VAL N A 39 VAL H 1.0 . . . 19 19 A 40 TYR N A 40 TYR H 1.0 . . . 20 20 A 41 VAL N A 41 VAL H 1.0 . . . 21 21 A 42 GLY N A 42 GLY H 1.0 . . . 22 22 A 43 ASN N A 43 ASN H 1.0 . . . 23 23 A 44 VAL N A 44 VAL H 1.0 . . . 24 24 A 45 ASP N A 45 ASP H 1.0 . . . 25 25 A 46 TYR N A 46 TYR H 1.0 . . . 26 26 A 48 SER N A 48 SER H 1.0 . . . 27 27 A 49 THR N A 49 THR H 1.0 . . . 28 28 A 50 ALA N A 50 ALA H 1.0 . . . 29 29 A 51 GLN N A 51 GLN H 1.0 . . . 30 30 A 52 ASP N A 52 ASP H 1.0 . . . 31 31 A 53 LEU N A 53 LEU H 1.0 . . . 32 32 A 54 GLU N A 54 GLU H 1.0 . . . 33 33 A 55 ALA N A 55 ALA H 1.0 . . . 34 34 A 56 HIS N A 56 HIS H 1.0 . . . 35 35 A 57 PHE N A 57 PHE H 1.0 . . . 36 36 A 58 SER N A 58 SER H 1.0 . . . 37 37 A 59 SER N A 59 SER H 1.0 . . . 38 38 A 60 CYS N A 60 CYS H 1.0 . . . 39 39 A 61 GLY N A 61 GLY H 1.0 . . . 40 40 A 62 SER N A 62 SER H 1.0 . . . 41 41 A 63 ILE N A 63 ILE H 1.0 . . . 42 42 A 64 ASN N A 64 ASN H 1.0 . . . 43 43 A 65 ARG N A 65 ARG H 1.0 . . . 44 44 A 66 ILE N A 66 ILE H 1.0 . . . 45 45 A 67 THR N A 67 THR H 1.0 . . . 46 46 A 68 ILE N A 68 ILE H 1.0 . . . 47 47 A 69 LEU N A 69 LEU H 1.0 . . . 48 48 A 70 CYS N A 70 CYS H 1.0 . . . 49 49 A 71 ASP N A 71 ASP H 1.0 . . . 50 50 A 72 LYS N A 72 LYS H 1.0 . . . 51 51 A 73 PHE N A 73 PHE H 1.0 . . . 52 52 A 74 SER N A 74 SER H 1.0 . . . 53 53 A 75 GLY N A 75 GLY H 1.0 . . . 54 54 A 76 HIS N A 76 HIS H 1.0 . . . 55 55 A 78 LYS N A 78 LYS H 1.0 . . . 56 56 A 79 GLY N A 79 GLY H 1.0 . . . 57 57 A 80 TYR N A 80 TYR H 1.0 . . . 58 58 A 81 ALA N A 81 ALA H 1.0 . . . 59 59 A 82 TYR N A 82 TYR H 1.0 . . . 60 60 A 83 ILE N A 83 ILE H 1.0 . . . 61 61 A 84 GLU N A 84 GLU H 1.0 . . . 62 62 A 85 PHE N A 85 PHE H 1.0 . . . 63 63 A 86 ALA N A 86 ALA H 1.0 . . . 64 64 A 87 GLU N A 87 GLU H 1.0 . . . 65 65 A 88 ARG N A 88 ARG H 1.0 . . . 66 66 A 89 ASN N A 89 ASN H 1.0 . . . 67 67 A 90 SER N A 90 SER H 1.0 . . . 68 68 A 91 VAL N A 91 VAL H 1.0 . . . 69 69 A 92 ASP N A 92 ASP H 1.0 . . . 70 70 A 93 ALA N A 93 ALA H 1.0 . . . 71 71 A 94 ALA N A 94 ALA H 1.0 . . . 72 72 A 95 VAL N A 95 VAL H 1.0 . . . 73 73 A 96 ALA N A 96 ALA H 1.0 . . . 74 74 A 97 MET N A 97 MET H 1.0 . . . 75 75 A 98 ASP N A 98 ASP H 1.0 . . . 76 76 A 99 GLU N A 99 GLU H 1.0 . . . 77 77 A 100 THR N A 100 THR H 1.0 . . . 78 78 A 101 VAL N A 101 VAL H 1.0 . . . 79 79 A 102 PHE N A 102 PHE H 1.0 . . . 80 80 A 103 ARG N A 103 ARG H 1.0 . . . 81 81 A 104 GLY N A 104 GLY H 1.0 . . . 82 82 A 105 ARG N A 105 ARG H 1.0 . . . 83 83 A 106 THR N A 106 THR H 1.0 . . . 84 84 A 107 ILE N A 107 ILE H 1.0 . . . 85 85 A 108 LYS N A 108 LYS H 1.0 . . . 86 86 A 109 VAL N A 109 VAL H 1.0 . . . 87 87 A 110 LEU N A 110 LEU H 1.0 . . . 88 88 A 112 LYS N A 112 LYS H 1.0 . . . 89 89 A 113 ARG N A 113 ARG H 1.0 . . . 90 90 B 19 THR N B 19 THR H 1.0 . . . 91 91 B 20 GLU N B 20 GLU H 1.0 . . . 92 92 B 21 GLY N B 21 GLY H 1.0 . . . 93 93 B 24 GLN N B 24 GLN H 1.0 . . . 94 94 B 26 LEU N B 26 LEU H 1.0 . . . 95 95 B 27 SER N B 27 SER H 1.0 . . . 96 96 B 28 ALA N B 28 ALA H 1.0 . . . 97 97 A 29 GLU N A 29 GLU H 1.0 . . . 98 98 B 30 GLU N B 30 GLU H 1.0 . . . 99 99 B 31 LYS N B 31 LYS H 1.0 . . . 100 100 B 32 LYS N B 32 LYS H 1.0 . . . 101 101 B 33 GLU N B 33 GLU H 1.0 . . . 102 102 B 34 ILE N B 34 ILE H 1.0 . . . 103 103 B 35 ASP N B 35 ASP H 1.0 . . . 104 104 B 36 LYS N B 36 LYS H 1.0 . . . 105 105 B 37 ARG N B 37 ARG H 1.0 . . . 106 106 B 38 SER N B 38 SER H 1.0 . . . 107 107 B 39 VAL N B 39 VAL H 1.0 . . . 108 108 B 40 TYR N B 40 TYR H 1.0 . . . 109 109 B 41 VAL N B 41 VAL H 1.0 . . . 110 110 B 42 GLY N B 42 GLY H 1.0 . . . 111 111 B 43 ASN N B 43 ASN H 1.0 . . . 112 112 B 44 VAL N B 44 VAL H 1.0 . . . 113 113 B 45 ASP N B 45 ASP H 1.0 . . . 114 114 B 46 TYR N B 46 TYR H 1.0 . . . 115 115 B 48 SER N B 48 SER H 1.0 . . . 116 116 B 49 THR N B 49 THR H 1.0 . . . 117 117 B 50 ALA N B 50 ALA H 1.0 . . . 118 118 B 51 GLN N B 51 GLN H 1.0 . . . 119 119 B 52 ASP N B 52 ASP H 1.0 . . . 120 120 B 54 GLU N B 54 GLU H 1.0 . . . 121 121 B 55 ALA N B 55 ALA H 1.0 . . . 122 122 B 56 HIS N B 56 HIS H 1.0 . . . 123 123 B 57 PHE N B 57 PHE H 1.0 . . . 124 124 B 58 SER N B 58 SER H 1.0 . . . 125 125 B 59 SER N B 59 SER H 1.0 . . . 126 126 B 60 CYS N B 60 CYS H 1.0 . . . 127 127 B 61 GLY N B 61 GLY H 1.0 . . . 128 128 B 62 SER N B 62 SER H 1.0 . . . 129 129 B 63 ILE N B 63 ILE H 1.0 . . . 130 130 B 64 ASN N B 64 ASN H 1.0 . . . 131 131 B 65 ARG N B 65 ARG H 1.0 . . . 132 132 B 66 ILE N B 66 ILE H 1.0 . . . 133 133 B 67 THR N B 67 THR H 1.0 . . . 134 134 B 68 ILE N B 68 ILE H 1.0 . . . 135 135 B 69 LEU N B 69 LEU H 1.0 . . . 136 136 B 70 CYS N B 70 CYS H 1.0 . . . 137 137 B 71 ASP N B 71 ASP H 1.0 . . . 138 138 B 72 LYS N B 72 LYS H 1.0 . . . 139 139 B 73 PHE N B 73 PHE H 1.0 . . . 140 140 B 74 SER N B 74 SER H 1.0 . . . 141 141 B 75 GLY N B 75 GLY H 1.0 . . . 142 142 B 76 HIS N B 76 HIS H 1.0 . . . 143 143 B 78 LYS N B 78 LYS H 1.0 . . . 144 144 B 79 GLY N B 79 GLY H 1.0 . . . 145 145 B 80 TYR N B 80 TYR H 1.0 . . . 146 146 B 81 ALA N B 81 ALA H 1.0 . . . 147 147 B 82 TYR N B 82 TYR H 1.0 . . . 148 148 B 83 ILE N B 83 ILE H 1.0 . . . 149 149 B 84 GLU N B 84 GLU H 1.0 . . . 150 150 B 85 PHE N B 85 PHE H 1.0 . . . 151 151 B 86 ALA N B 86 ALA H 1.0 . . . 152 152 B 87 GLU N B 87 GLU H 1.0 . . . 153 153 B 88 ARG N B 88 ARG H 1.0 . . . 154 154 B 89 ASN N B 89 ASN H 1.0 . . . 155 155 B 90 SER N B 90 SER H 1.0 . . . 156 156 B 91 VAL N B 91 VAL H 1.0 . . . 157 157 B 92 ASP N B 92 ASP H 1.0 . . . 158 158 B 93 ALA N B 93 ALA H 1.0 . . . 159 159 B 94 ALA N B 94 ALA H 1.0 . . . 160 160 B 95 VAL N B 95 VAL H 1.0 . . . 161 161 B 96 ALA N B 96 ALA H 1.0 . . . 162 162 B 97 MET N B 97 MET H 1.0 . . . 163 163 B 98 ASP N B 98 ASP H 1.0 . . . 164 164 B 99 GLU N B 99 GLU H 1.0 . . . 165 165 B 100 THR N B 100 THR H 1.0 . . . 166 166 B 101 VAL N B 101 VAL H 1.0 . . . 167 167 B 102 PHE N B 102 PHE H 1.0 . . . 168 168 B 103 ARG N B 103 ARG H 1.0 . . . 169 169 B 104 GLY N B 104 GLY H 1.0 . . . 170 170 B 105 ARG N B 105 ARG H 1.0 . . . 171 171 B 106 THR N B 106 THR H 1.0 . . . 172 172 B 107 ILE N B 107 ILE H 1.0 . . . 173 173 B 108 LYS N B 108 LYS H 1.0 . . . 174 174 B 109 VAL N B 109 VAL H 1.0 . . . 175 175 B 110 LEU N B 110 LEU H 1.0 . . . 176 176 B 112 LYS N B 112 LYS H 1.0 . . . 177 177 B 113 ARG N B 113 ARG H 1.0 . . . stop_ save_