data_nef_c6999_2n5g 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 MET start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 ARG middle . . 5 A 5 LEU middle . . 6 A 6 THR middle . . 7 A 7 GLU middle . . 8 A 8 SER middle . . 9 A 9 GLN middle . . 10 A 10 PHE middle . . 11 A 11 GLN middle . . 12 A 12 GLU middle . . 13 A 13 ALA middle . . 14 A 14 ILE middle . . 15 A 15 GLN middle . . 16 A 16 GLY middle . false 17 A 17 LEU middle . . 18 A 18 GLU middle . . 19 A 19 VAL middle . . 20 A 20 GLY middle . false 21 A 21 GLN middle . . 22 A 22 GLN middle . . 23 A 23 THR middle . . 24 A 24 ILE middle . . 25 A 25 GLU middle . . 26 A 26 ILE middle . . 27 A 27 ALA middle . . 28 A 28 ARG middle . . 29 A 29 GLY middle . false 30 A 30 VAL middle . . 31 A 31 LEU middle . . 32 A 32 VAL middle . . 33 A 33 ASP middle . . 34 A 34 GLY middle . false 35 A 35 LYS middle . . 36 A 36 PRO middle . false 37 A 37 GLN middle . . 38 A 38 ALA middle . . 39 A 39 THR middle . . 40 A 40 PHE middle . . 41 A 41 ALA middle . . 42 A 42 THR middle . . 43 A 43 SER middle . . 44 A 44 LEU middle . . 45 A 45 GLY middle . false 46 A 46 LEU middle . . 47 A 47 THR middle . . 48 A 48 ARG middle . . 49 A 49 GLY middle . false 50 A 50 ALA middle . . 51 A 51 VAL middle . . 52 A 52 SER middle . . 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 VAL middle . . 56 A 56 HIS middle . . 57 A 57 ARG middle . . 58 A 58 VAL middle . . 59 A 59 TRP middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 PHE middle . . 63 A 63 GLU middle . . 64 A 64 ASP middle . . 65 A 65 LYS middle . . 66 A 66 ASN middle . . 67 A 67 LEU middle . . 68 A 68 PRO middle . false 69 A 69 GLU middle . . 70 A 70 GLY middle . false 71 A 71 TYR middle . . 72 A 72 ALA middle . . 73 A 73 ARG middle . . 74 A 74 VAL middle . . 75 A 75 THR middle . . 76 A 76 ALA middle . . 77 A 77 VAL middle . . 78 A 78 LEU middle . . 79 A 79 PRO middle . false 80 A 80 GLU middle . . 81 A 81 HIS middle . . 82 A 82 GLN middle . . 83 A 83 ALA middle . . 84 A 84 TYR middle . . 85 A 85 ILE middle . . 86 A 86 VAL middle . . 87 A 87 ARG middle . . 88 A 88 LYS middle . . 89 A 89 TRP middle . . 90 A 90 GLU middle . . 91 A 91 ALA middle . . 92 A 92 ASP middle . . 93 A 93 ALA middle . . 94 A 94 LYS middle . . 95 A 95 LYS middle . . 96 A 96 LYS middle . . 97 A 97 GLN middle . . 98 A 98 GLU middle . . 99 A 99 THR middle . . 100 A 100 LYS middle . . 101 A 101 ARG end . . 102 B 1 MET start . . 103 B 2 LYS middle . . 104 B 3 LYS middle . . 105 B 4 ARG middle . . 106 B 5 LEU middle . . 107 B 6 THR middle . . 108 B 7 GLU middle . . 109 B 8 SER middle . . 110 B 9 GLN middle . . 111 B 10 PHE middle . . 112 B 11 GLN middle . . 113 B 12 GLU middle . . 114 B 13 ALA middle . . 115 B 14 ILE middle . . 116 B 15 GLN middle . . 117 B 16 GLY middle . false 118 B 17 LEU middle . . 119 B 18 GLU middle . . 120 B 19 VAL middle . . 121 B 20 GLY middle . false 122 B 21 GLN middle . . 123 B 22 GLN middle . . 124 B 23 THR middle . . 125 B 24 ILE middle . . 126 B 25 GLU middle . . 127 B 26 ILE middle . . 128 B 27 ALA middle . . 129 B 28 ARG middle . . 130 B 29 GLY middle . false 131 B 30 VAL middle . . 132 B 31 LEU middle . . 133 B 32 VAL middle . . 134 B 33 ASP middle . . 135 B 34 GLY middle . false 136 B 35 LYS middle . . 137 B 36 PRO middle . false 138 B 37 GLN middle . . 139 B 38 ALA middle . . 140 B 39 THR middle . . 141 B 40 PHE middle . . 142 B 41 ALA middle . . 143 B 42 THR middle . . 144 B 43 SER middle . . 145 B 44 LEU middle . . 146 B 45 GLY middle . false 147 B 46 LEU middle . . 148 B 47 THR middle . . 149 B 48 ARG middle . . 150 B 49 GLY middle . false 151 B 50 ALA middle . . 152 B 51 VAL middle . . 153 B 52 SER middle . . 154 B 53 GLN middle . . 155 B 54 ALA middle . . 156 B 55 VAL middle . . 157 B 56 HIS middle . . 158 B 57 ARG middle . . 159 B 58 VAL middle . . 160 B 59 TRP middle . . 161 B 60 ALA middle . . 162 B 61 ALA middle . . 163 B 62 PHE middle . . 164 B 63 GLU middle . . 165 B 64 ASP middle . . 166 B 65 LYS middle . . 167 B 66 ASN middle . . 168 B 67 LEU middle . . 169 B 68 PRO middle . false 170 B 69 GLU middle . . 171 B 70 GLY middle . false 172 B 71 TYR middle . . 173 B 72 ALA middle . . 174 B 73 ARG middle . . 175 B 74 VAL middle . . 176 B 75 THR middle . . 177 B 76 ALA middle . . 178 B 77 VAL middle . . 179 B 78 LEU middle . . 180 B 79 PRO middle . false 181 B 80 GLU middle . . 182 B 81 HIS middle . . 183 B 82 GLN middle . . 184 B 83 ALA middle . . 185 B 84 TYR middle . . 186 B 85 ILE middle . . 187 B 86 VAL middle . . 188 B 87 ARG middle . . 189 B 88 LYS middle . . 190 B 89 TRP middle . . 191 B 90 GLU middle . . 192 B 91 ALA middle . . 193 B 92 ASP middle . . 194 B 93 ALA middle . . 195 B 94 LYS middle . . 196 B 95 LYS middle . . 197 B 96 LYS middle . . 198 B 97 GLN middle . . 199 B 98 GLU middle . . 200 B 99 THR middle . . 201 B 100 LYS middle . . 202 B 101 ARG end . . stop_ save_ save_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 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 2 LYS HA H 1 4.248 0.011 A 2 LYS HBx H 1 1.702 0.006 A 2 LYS HBy H 1 1.747 0.000 A 2 LYS HE2 H 1 2.952 0.000 A 2 LYS HGx H 1 1.322 0.000 A 2 LYS HGy H 1 1.393 0.010 A 2 LYS CA C 13 56.140 0.000 A 2 LYS CB C 13 32.880 0.000 A 2 LYS CD C 13 29.022 0.000 A 2 LYS CE C 13 41.938 0.000 A 2 LYS CG C 13 24.629 0.000 A 3 LYS H H 1 8.094 0.034 A 3 LYS HA H 1 3.840 0.009 A 3 LYS HBx H 1 0.894 0.013 A 3 LYS HBy H 1 1.171 0.005 A 3 LYS HD3 H 1 0.752 0.014 A 3 LYS HEx H 1 1.447 0.000 A 3 LYS HEy H 1 1.520 0.000 A 3 LYS HG2 H 1 0.351 0.036 A 3 LYS C C 13 174.807 0.000 A 3 LYS CA C 13 55.982 0.000 A 3 LYS CB C 13 32.119 0.000 A 3 LYS CD C 13 28.650 0.000 A 3 LYS CE C 13 41.524 0.000 A 3 LYS CG C 13 24.267 0.013 A 3 LYS N N 15 124.066 0.054 A 4 ARG H H 1 7.815 0.009 A 4 ARG HA H 1 5.045 0.018 A 4 ARG HBx H 1 1.624 0.005 A 4 ARG HBy H 1 1.854 0.010 A 4 ARG HDx H 1 3.193 0.011 A 4 ARG HDy H 1 3.331 0.020 A 4 ARG HE H 1 6.659 0.039 A 4 ARG HGx H 1 1.402 0.006 A 4 ARG HGy H 1 1.604 0.005 A 4 ARG C C 13 175.001 0.000 A 4 ARG CA C 13 53.668 0.046 A 4 ARG CB C 13 32.961 0.000 A 4 ARG CD C 13 45.225 0.000 A 4 ARG CG C 13 26.479 0.000 A 4 ARG N N 15 121.506 0.087 A 4 ARG NE N 15 112.399 0.040 A 5 LEU H H 1 8.091 0.009 A 5 LEU HA H 1 4.827 0.002 A 5 LEU HBx H 1 1.231 0.004 A 5 LEU HBy H 1 1.327 0.023 A 5 LEU HDx% H 1 0.033 0.005 A 5 LEU HDy% H 1 0.609 0.014 A 5 LEU HG H 1 1.474 0.000 A 5 LEU C C 13 176.931 0.000 A 5 LEU CA C 13 53.013 0.021 A 5 LEU CB C 13 45.810 0.000 A 5 LEU CD1 C 13 22.448 0.030 A 5 LEU CG C 13 26.358 0.000 A 5 LEU N N 15 120.210 0.045 A 6 THR H H 1 8.616 0.016 A 6 THR HA H 1 4.494 0.013 A 6 THR HB H 1 4.753 0.017 A 6 THR HG2% H 1 1.285 0.009 A 6 THR C C 13 175.694 0.000 A 6 THR CA C 13 60.565 0.042 A 6 THR CB C 13 70.733 0.014 A 6 THR CG2 C 13 21.694 0.000 A 6 THR N N 15 110.648 0.059 A 7 GLU H H 1 9.147 0.010 A 7 GLU HA H 1 4.040 0.004 A 7 GLU HBx H 1 2.015 0.011 A 7 GLU HBy H 1 2.172 0.012 A 7 GLU HGy H 1 2.419 0.084 A 7 GLU HGx H 1 2.341 0.064 A 7 GLU C C 13 178.916 0.000 A 7 GLU CA C 13 60.182 0.003 A 7 GLU CB C 13 28.988 0.040 A 7 GLU CG C 13 35.684 0.000 A 7 GLU N N 15 121.349 0.072 A 8 SER H H 1 8.402 0.014 A 8 SER HA H 1 4.239 0.002 A 8 SER HB3 H 1 3.886 0.002 A 8 SER C C 13 177.963 0.000 A 8 SER CA C 13 61.696 0.000 A 8 SER CB C 13 62.073 0.000 A 8 SER N N 15 112.803 0.064 A 9 GLN H H 1 7.677 0.009 A 9 GLN HA H 1 4.143 0.007 A 9 GLN HB3 H 1 1.638 0.000 A 9 GLN HE2x H 1 6.827 0.000 A 9 GLN HE2y H 1 7.745 0.000 A 9 GLN C C 13 178.701 0.000 A 9 GLN CA C 13 58.438 0.015 A 9 GLN CB C 13 29.751 0.034 A 9 GLN CG C 13 34.480 0.000 A 9 GLN N N 15 121.975 0.059 A 9 GLN NE2 N 15 111.798 0.000 A 10 PHE H H 1 8.800 0.014 A 10 PHE HA H 1 3.746 0.023 A 10 PHE HBy H 1 2.769 0.028 A 10 PHE HBx H 1 2.764 0.022 A 10 PHE HD1 H 1 6.992 0.004 A 10 PHE HD2 H 1 6.992 0.004 A 10 PHE HE1 H 1 7.139 0.002 A 10 PHE HE2 H 1 7.139 0.002 A 10 PHE HZ H 1 7.579 0.003 A 10 PHE C C 13 176.192 0.000 A 10 PHE CA C 13 62.209 0.033 A 10 PHE CB C 13 39.945 0.000 A 10 PHE CD1 C 13 131.569 0.010 A 10 PHE CD2 C 13 131.569 0.010 A 10 PHE CE1 C 13 129.648 0.026 A 10 PHE CE2 C 13 129.648 0.026 A 10 PHE CZ C 13 129.674 0.021 A 10 PHE N N 15 120.632 0.083 A 11 GLN H H 1 8.413 0.017 A 11 GLN HA H 1 3.804 0.026 A 11 GLN HBx H 1 2.140 0.000 A 11 GLN HBy H 1 2.180 0.010 A 11 GLN HE2x H 1 6.827 0.001 A 11 GLN HE2y H 1 7.881 0.007 A 11 GLN HG2 H 1 2.640 0.006 A 11 GLN C C 13 178.870 0.000 A 11 GLN CA C 13 58.486 0.034 A 11 GLN CB C 13 28.043 0.032 A 11 GLN CG C 13 33.819 0.000 A 11 GLN N N 15 115.862 0.073 A 11 GLN NE2 N 15 111.202 0.098 A 12 GLU H H 1 7.598 0.005 A 12 GLU HA H 1 4.030 0.009 A 12 GLU HBx H 1 2.125 0.033 A 12 GLU HBy H 1 2.207 0.008 A 12 GLU HG3 H 1 2.399 0.001 A 12 GLU C C 13 178.827 0.000 A 12 GLU CA C 13 58.910 0.000 A 12 GLU CB C 13 29.679 0.000 A 12 GLU CG C 13 36.324 0.000 A 12 GLU N N 15 117.501 0.061 A 13 ALA H H 1 8.088 0.009 A 13 ALA HA H 1 3.850 0.020 A 13 ALA HB% H 1 1.368 0.005 A 13 ALA C C 13 178.721 0.000 A 13 ALA CA C 13 55.255 0.000 A 13 ALA CB C 13 18.434 0.000 A 13 ALA N N 15 121.317 0.062 A 14 ILE H H 1 7.291 0.007 A 14 ILE HA H 1 4.054 0.014 A 14 ILE HB H 1 1.893 0.041 A 14 ILE HD1% H 1 0.705 0.011 A 14 ILE HG1y H 1 1.192 0.007 A 14 ILE HG1x H 1 1.044 0.005 A 14 ILE HG2% H 1 0.268 0.006 A 14 ILE C C 13 177.559 0.000 A 14 ILE CA C 13 61.832 0.004 A 14 ILE CB C 13 37.931 0.036 A 14 ILE CD1 C 13 14.209 0.036 A 14 ILE CG1 C 13 25.207 0.000 A 14 ILE CG2 C 13 17.909 0.017 A 14 ILE N N 15 104.825 0.058 A 15 GLN H H 1 7.162 0.006 A 15 GLN HA H 1 4.021 0.011 A 15 GLN HBx H 1 2.086 0.006 A 15 GLN HBy H 1 2.115 0.000 A 15 GLN HE2y H 1 7.514 0.006 A 15 GLN HE2x H 1 6.848 0.002 A 15 GLN HGy H 1 2.480 0.006 A 15 GLN HGx H 1 2.283 0.000 A 15 GLN C C 13 177.215 0.000 A 15 GLN CA C 13 57.530 0.008 A 15 GLN CB C 13 28.063 0.000 A 15 GLN CG C 13 33.401 0.000 A 15 GLN N N 15 123.668 0.096 A 15 GLN NE2 N 15 111.862 0.013 A 16 GLY H H 1 8.888 0.020 A 16 GLY HAx H 1 3.812 0.022 A 16 GLY HAy H 1 4.028 0.005 A 16 GLY C C 13 173.958 0.000 A 16 GLY CA C 13 45.490 0.011 A 16 GLY N N 15 114.077 0.083 A 17 LEU H H 1 7.551 0.006 A 17 LEU HA H 1 4.334 0.005 A 17 LEU HBy H 1 1.572 0.007 A 17 LEU HBx H 1 1.517 0.022 A 17 LEU HDx% H 1 0.745 0.024 A 17 LEU HDy% H 1 0.819 0.023 A 17 LEU HG H 1 1.757 0.000 A 17 LEU C C 13 176.878 0.000 A 17 LEU CA C 13 54.286 0.015 A 17 LEU CB C 13 43.533 0.004 A 17 LEU CD1 C 13 24.501 0.000 A 17 LEU CG C 13 26.688 0.000 A 17 LEU N N 15 120.889 0.052 A 18 GLU H H 1 8.756 0.016 A 18 GLU HA H 1 4.467 0.010 A 18 GLU HB3 H 1 1.906 0.007 A 18 GLU HG3 H 1 2.063 0.005 A 18 GLU C C 13 175.572 0.000 A 18 GLU CA C 13 55.565 0.073 A 18 GLU CB C 13 28.072 0.000 A 18 GLU CG C 13 35.933 0.000 A 18 GLU N N 15 126.286 0.026 A 19 VAL H H 1 7.562 0.009 A 19 VAL HA H 1 4.598 0.012 A 19 VAL HB H 1 2.174 0.014 A 19 VAL HGx% H 1 0.858 0.035 A 19 VAL HGy% H 1 0.798 0.034 A 19 VAL C C 13 177.889 0.000 A 19 VAL CA C 13 59.198 0.039 A 19 VAL CB C 13 34.881 0.026 A 19 VAL CGx C 13 18.555 0.000 A 19 VAL CGy C 13 22.101 0.000 A 19 VAL N N 15 115.750 0.048 A 20 GLY H H 1 8.483 0.014 A 20 GLY HAx H 1 4.036 0.007 A 20 GLY HAy H 1 4.218 0.004 A 20 GLY C C 13 174.350 0.000 A 20 GLY CA C 13 44.364 0.001 A 20 GLY N N 15 109.234 0.061 A 21 GLN H H 1 8.530 0.010 A 21 GLN HA H 1 3.951 0.007 A 21 GLN C C 13 178.203 0.000 A 21 GLN CA C 13 58.919 0.000 A 21 GLN CB C 13 28.421 0.000 A 21 GLN N N 15 119.305 0.073 A 22 GLN HA H 1 4.167 0.009 A 22 GLN HB3 H 1 2.060 0.005 A 22 GLN HE2x H 1 6.992 0.001 A 22 GLN HE2y H 1 7.725 0.002 A 22 GLN C C 13 177.670 0.000 A 22 GLN CA C 13 59.561 0.000 A 22 GLN CB C 13 29.438 0.000 A 22 GLN CG C 13 34.920 0.000 A 22 GLN NE2 N 15 111.825 0.031 A 23 THR H H 1 7.562 0.009 A 23 THR HA H 1 3.802 0.010 A 23 THR HB H 1 4.289 0.011 A 23 THR HG2% H 1 1.179 0.011 A 23 THR C C 13 175.514 0.000 A 23 THR CA C 13 66.997 0.000 A 23 THR CB C 13 68.446 0.045 A 23 THR CG2 C 13 21.679 0.000 A 23 THR N N 15 115.648 0.105 A 24 ILE H H 1 7.444 0.009 A 24 ILE HA H 1 3.561 0.005 A 24 ILE HB H 1 2.129 0.016 A 24 ILE HD1% H 1 0.759 0.025 A 24 ILE HG1x H 1 1.642 0.017 A 24 ILE HG1y H 1 1.647 0.023 A 24 ILE HG2% H 1 1.077 0.031 A 24 ILE C C 13 177.270 0.000 A 24 ILE CA C 13 65.385 0.030 A 24 ILE CB C 13 37.135 0.041 A 24 ILE CD1 C 13 12.085 0.043 A 24 ILE CG1 C 13 28.932 0.000 A 24 ILE CG2 C 13 17.546 0.000 A 24 ILE N N 15 119.870 0.059 A 25 GLU H H 1 8.294 0.015 A 25 GLU HA H 1 4.024 0.045 A 25 GLU HBx H 1 2.134 0.037 A 25 GLU HBy H 1 2.186 0.004 A 25 GLU HGx H 1 2.295 0.000 A 25 GLU HGy H 1 2.427 0.000 A 25 GLU C C 13 180.489 0.000 A 25 GLU CA C 13 56.900 2.289 A 25 GLU CB C 13 29.463 0.012 A 25 GLU CG C 13 36.189 0.000 A 25 GLU N N 15 119.269 0.077 A 26 ILE H H 1 8.105 0.010 A 26 ILE HA H 1 2.704 0.007 A 26 ILE HB H 1 1.562 0.014 A 26 ILE HD1% H 1 0.709 0.014 A 26 ILE HG1x H 1 1.075 0.014 A 26 ILE HG1y H 1 1.207 0.011 A 26 ILE HG2% H 1 0.634 0.006 A 26 ILE C C 13 176.804 0.000 A 26 ILE CA C 13 64.448 0.027 A 26 ILE CB C 13 38.856 0.033 A 26 ILE CD1 C 13 14.669 0.002 A 26 ILE CG1 C 13 28.528 0.000 A 26 ILE CG2 C 13 18.627 0.038 A 26 ILE N N 15 120.031 0.075 A 27 ALA H H 1 8.354 0.013 A 27 ALA HA H 1 3.868 0.010 A 27 ALA HB% H 1 1.654 0.014 A 27 ALA C C 13 179.163 0.000 A 27 ALA CA C 13 55.721 0.009 A 27 ALA CB C 13 18.654 0.083 A 27 ALA N N 15 118.951 0.060 A 28 ARG H H 1 9.088 0.017 A 28 ARG HA H 1 2.883 0.010 A 28 ARG HB3 H 1 1.517 0.007 A 28 ARG HD3 H 1 3.098 0.004 A 28 ARG C C 13 178.990 0.009 A 28 ARG CA C 13 59.683 0.019 A 28 ARG CB C 13 29.759 0.042 A 28 ARG CD C 13 42.879 0.030 A 28 ARG CG C 13 27.176 0.000 A 28 ARG N N 15 119.392 0.066 A 29 GLY H H 1 7.860 0.006 A 29 GLY HAx H 1 3.823 0.008 A 29 GLY HAy H 1 3.998 0.002 A 29 GLY C C 13 174.575 0.000 A 29 GLY CA C 13 47.534 0.000 A 29 GLY N N 15 107.321 0.062 A 30 VAL H H 1 7.933 0.012 A 30 VAL HA H 1 4.413 0.010 A 30 VAL HB H 1 1.809 0.013 A 30 VAL HGx% H 1 0.912 0.010 A 30 VAL HGy% H 1 1.001 0.010 A 30 VAL C C 13 178.761 0.000 A 30 VAL CA C 13 64.731 0.000 A 30 VAL CB C 13 33.630 0.000 A 30 VAL CG2 C 13 21.338 0.000 A 30 VAL N N 15 118.940 0.067 A 31 LEU H H 1 8.954 0.016 A 31 LEU HA H 1 4.248 0.035 A 31 LEU HBy H 1 1.384 0.000 A 31 LEU HBx H 1 1.288 0.023 A 31 LEU C C 13 177.912 0.000 A 31 LEU CA C 13 57.673 0.043 A 31 LEU CB C 13 42.929 0.028 A 31 LEU CD1 C 13 23.157 0.000 A 31 LEU CG C 13 25.850 0.000 A 31 LEU N N 15 116.349 0.071 A 32 VAL H H 1 8.080 0.010 A 32 VAL HA H 1 4.720 0.011 A 32 VAL HB H 1 2.074 0.008 A 32 VAL HGx% H 1 0.825 0.005 A 32 VAL HGy% H 1 0.442 0.023 A 32 VAL C C 13 179.111 0.000 A 32 VAL CA C 13 63.055 0.041 A 32 VAL CB C 13 31.073 0.000 A 32 VAL CGy C 13 22.000 0.021 A 32 VAL CGx C 13 20.690 0.000 A 32 VAL N N 15 118.510 0.086 A 33 ASP H H 1 7.613 0.013 A 33 ASP HA H 1 4.613 0.010 A 33 ASP HBy H 1 3.293 0.117 A 33 ASP HBx H 1 2.795 0.011 A 33 ASP C C 13 177.764 0.000 A 33 ASP CA C 13 55.637 0.081 A 33 ASP CB C 13 40.848 0.024 A 33 ASP N N 15 116.694 0.052 A 34 GLY H H 1 6.880 0.007 A 34 GLY HAx H 1 3.832 0.002 A 34 GLY HAy H 1 3.878 0.014 A 34 GLY C C 13 175.030 0.000 A 34 GLY CA C 13 46.631 0.000 A 34 GLY N N 15 106.614 0.084 A 35 LYS H H 1 8.560 0.009 A 35 LYS HA H 1 4.427 0.012 A 35 LYS C C 13 174.857 0.000 A 35 LYS CA C 13 54.801 0.000 A 35 LYS CB C 13 32.034 0.000 A 35 LYS N N 15 121.892 0.055 A 36 PRO HA H 1 3.958 0.006 A 36 PRO HB3 H 1 1.958 0.000 A 36 PRO C C 13 178.529 0.000 A 36 PRO CA C 13 62.178 0.000 A 36 PRO CB C 13 32.019 0.000 A 36 PRO CD C 13 49.768 0.000 A 36 PRO CG C 13 27.775 0.000 A 37 GLN H H 1 8.310 0.006 A 37 GLN HA H 1 3.864 0.000 A 37 GLN HBx H 1 1.959 0.009 A 37 GLN HBy H 1 2.275 0.004 A 37 GLN HG2 H 1 2.705 0.004 A 37 GLN C C 13 177.516 0.000 A 37 GLN CA C 13 60.197 0.000 A 37 GLN CB C 13 29.527 0.000 A 37 GLN CG C 13 35.902 0.000 A 37 GLN N N 15 123.524 0.083 A 38 ALA H H 1 8.922 0.015 A 38 ALA HA H 1 4.119 0.111 A 38 ALA HB% H 1 1.640 0.141 A 38 ALA C C 13 179.568 0.000 A 38 ALA CA C 13 55.267 0.000 A 38 ALA CB C 13 18.387 0.000 A 38 ALA N N 15 118.773 0.074 A 39 THR H H 1 7.332 0.008 A 39 THR HA H 1 3.976 0.007 A 39 THR HB H 1 3.900 0.013 A 39 THR HG2% H 1 0.990 0.004 A 39 THR C C 13 176.748 0.000 A 39 THR CA C 13 65.025 0.003 A 39 THR CB C 13 68.744 0.073 A 39 THR CG2 C 13 21.539 0.000 A 39 THR N N 15 109.930 0.056 A 40 PHE H H 1 7.391 0.006 A 40 PHE HA H 1 4.294 0.005 A 40 PHE HBx H 1 2.980 0.014 A 40 PHE HBy H 1 2.991 0.001 A 40 PHE C C 13 176.820 0.000 A 40 PHE CA C 13 60.857 0.000 A 40 PHE CB C 13 39.860 0.000 A 40 PHE N N 15 120.806 0.058 A 41 ALA H H 1 7.626 0.007 A 41 ALA HA H 1 3.953 0.005 A 41 ALA HB% H 1 1.444 0.008 A 41 ALA C C 13 179.278 0.000 A 41 ALA CA C 13 55.565 0.000 A 41 ALA CB C 13 17.608 0.000 A 41 ALA N N 15 121.213 0.060 A 42 THR H H 1 7.814 0.006 A 42 THR HA H 1 4.059 0.002 A 42 THR HB H 1 4.177 0.007 A 42 THR HG2% H 1 1.250 0.000 A 42 THR C C 13 177.548 0.000 A 42 THR CA C 13 65.311 0.010 A 42 THR CB C 13 68.773 0.033 A 42 THR CG2 C 13 21.843 0.000 A 42 THR N N 15 110.593 0.049 A 43 SER H H 1 8.146 0.013 A 43 SER HA H 1 4.222 0.005 A 43 SER HBx H 1 3.891 0.016 A 43 SER HBy H 1 3.948 0.003 A 43 SER C C 13 176.111 0.000 A 43 SER CA C 13 61.437 0.015 A 43 SER CB C 13 62.977 0.006 A 43 SER N N 15 116.662 0.060 A 44 LEU H H 1 7.681 0.007 A 44 LEU HA H 1 4.526 0.005 A 44 LEU HBx H 1 1.519 0.006 A 44 LEU HBy H 1 1.822 0.003 A 44 LEU HD1% H 1 0.864 0.000 A 44 LEU C C 13 177.430 0.000 A 44 LEU CA C 13 54.566 0.002 A 44 LEU CB C 13 42.571 0.000 A 44 LEU CD1 C 13 22.150 0.000 A 44 LEU CG C 13 26.052 0.000 A 44 LEU N N 15 118.048 0.059 A 45 GLY H H 1 7.618 0.006 A 45 GLY HAy H 1 3.952 0.007 A 45 GLY HAx H 1 3.919 0.020 A 45 GLY C C 13 174.734 0.000 A 45 GLY CA C 13 46.716 0.000 A 45 GLY N N 15 109.353 0.065 A 46 LEU H H 1 7.896 0.000 A 46 LEU HA H 1 4.777 0.009 A 46 LEU HBx H 1 1.440 0.050 A 46 LEU HBy H 1 1.637 0.005 A 46 LEU HDx% H 1 0.732 0.003 A 46 LEU HDy% H 1 0.832 0.013 A 46 LEU HG H 1 1.500 0.001 A 46 LEU C C 13 176.774 0.000 A 46 LEU CA C 13 52.641 0.024 A 46 LEU CB C 13 46.196 0.000 A 46 LEU CD1 C 13 22.632 0.000 A 46 LEU CG C 13 26.636 0.176 A 46 LEU N N 15 119.470 0.068 A 47 THR H H 1 7.944 0.015 A 47 THR HA H 1 4.405 0.010 A 47 THR HB H 1 4.676 0.016 A 47 THR HG2% H 1 1.363 0.012 A 47 THR C C 13 176.077 0.000 A 47 THR CA C 13 60.596 0.006 A 47 THR CB C 13 70.809 0.010 A 47 THR CG2 C 13 21.962 0.003 A 47 THR N N 15 108.978 0.064 A 48 ARG H H 1 8.996 0.011 A 48 ARG HA H 1 3.891 0.010 A 48 ARG HBx H 1 1.850 0.033 A 48 ARG HBy H 1 1.879 0.020 A 48 ARG HDy H 1 3.232 0.030 A 48 ARG HDx H 1 3.184 0.022 A 48 ARG HE H 1 7.108 0.008 A 48 ARG HG2 H 1 1.611 0.019 A 48 ARG C C 13 180.372 0.000 A 48 ARG CA C 13 58.985 0.053 A 48 ARG CB C 13 29.174 0.087 A 48 ARG CD C 13 42.922 0.046 A 48 ARG CG C 13 27.447 0.000 A 48 ARG N N 15 120.243 0.036 A 48 ARG NE N 15 131.033 0.022 A 49 GLY H H 1 8.751 0.017 A 49 GLY HA3 H 1 3.879 0.006 A 49 GLY C C 13 175.765 0.000 A 49 GLY CA C 13 46.819 0.000 A 49 GLY N N 15 107.430 0.067 A 50 ALA H H 1 7.938 0.014 A 50 ALA HA H 1 4.172 0.003 A 50 ALA HB% H 1 1.531 0.004 A 50 ALA C C 13 181.707 0.000 A 50 ALA CA C 13 55.017 0.011 A 50 ALA CB C 13 18.738 0.003 A 50 ALA N N 15 125.582 0.066 A 51 VAL H H 1 7.734 0.007 A 51 VAL HA H 1 3.620 0.009 A 51 VAL HB H 1 2.274 0.010 A 51 VAL HGx% H 1 1.041 0.034 A 51 VAL HGy% H 1 0.997 0.016 A 51 VAL C C 13 177.108 0.000 A 51 VAL CA C 13 66.892 0.042 A 51 VAL CB C 13 31.718 0.038 A 51 VAL CGx C 13 20.970 0.000 A 51 VAL CGy C 13 23.278 0.000 A 51 VAL N N 15 119.211 0.062 A 52 SER H H 1 8.332 0.008 A 52 SER HA H 1 4.746 0.031 A 52 SER HBx H 1 4.016 0.005 A 52 SER HBy H 1 4.134 0.023 A 52 SER C C 13 177.897 0.000 A 52 SER CA C 13 61.634 0.028 A 52 SER CB C 13 62.742 0.001 A 52 SER N N 15 114.038 0.077 A 53 GLN H H 1 8.252 0.015 A 53 GLN HA H 1 4.151 0.006 A 53 GLN HBy H 1 2.189 0.016 A 53 GLN HBx H 1 2.151 0.008 A 53 GLN HE2x H 1 6.836 0.012 A 53 GLN HE2y H 1 7.431 0.015 A 53 GLN HGx H 1 2.419 0.009 A 53 GLN HGy H 1 2.534 0.014 A 53 GLN C C 13 178.192 0.000 A 53 GLN CA C 13 59.063 0.000 A 53 GLN CB C 13 28.626 0.000 A 53 GLN CD C 13 180.207 0.012 A 53 GLN N N 15 120.041 0.066 A 53 GLN NE2 N 15 110.926 0.027 A 54 ALA H H 1 7.500 0.005 A 54 ALA HA H 1 4.183 0.006 A 54 ALA HB% H 1 1.682 0.004 A 54 ALA C C 13 178.468 0.000 A 54 ALA CA C 13 55.332 0.031 A 54 ALA CB C 13 18.813 0.019 A 54 ALA N N 15 122.713 0.104 A 55 VAL H H 1 7.698 0.012 A 55 VAL HA H 1 3.362 0.023 A 55 VAL HB H 1 2.177 0.011 A 55 VAL HGx% H 1 1.010 0.005 A 55 VAL HGy% H 1 0.914 0.005 A 55 VAL C C 13 178.316 0.000 A 55 VAL CA C 13 67.054 0.028 A 55 VAL CB C 13 31.981 0.029 A 55 VAL CGx C 13 21.178 0.000 A 55 VAL CGy C 13 23.561 0.000 A 55 VAL N N 15 114.730 0.073 A 56 HIS H H 1 8.650 0.015 A 56 HIS HA H 1 4.370 0.006 A 56 HIS HBx H 1 3.260 0.033 A 56 HIS HBy H 1 3.295 0.046 A 56 HIS HD2 H 1 7.536 0.002 A 56 HIS HE1 H 1 6.824 0.006 A 56 HIS C C 13 177.329 0.000 A 56 HIS CA C 13 60.070 0.103 A 56 HIS CB C 13 30.255 0.044 A 56 HIS CE1 C 13 132.329 0.029 A 56 HIS N N 15 116.917 0.123 A 57 ARG H H 1 8.225 0.018 A 57 ARG HA H 1 4.078 0.004 A 57 ARG HBx H 1 1.933 0.001 A 57 ARG HBy H 1 2.079 0.003 A 57 ARG HDy H 1 3.253 0.036 A 57 ARG HDx H 1 3.197 0.000 A 57 ARG HG2 H 1 1.259 0.000 A 57 ARG C C 13 178.929 0.000 A 57 ARG CA C 13 58.637 0.014 A 57 ARG CB C 13 29.687 0.022 A 57 ARG CD C 13 42.976 0.025 A 57 ARG CG C 13 27.168 0.000 A 57 ARG N N 15 118.260 0.185 A 58 VAL H H 1 7.128 0.008 A 58 VAL HA H 1 3.538 0.011 A 58 VAL HB H 1 1.934 0.001 A 58 VAL HGx% H 1 0.763 0.007 A 58 VAL HGy% H 1 0.635 0.005 A 58 VAL C C 13 176.722 0.000 A 58 VAL CA C 13 66.243 0.000 A 58 VAL CB C 13 31.465 0.000 A 58 VAL CGy C 13 22.465 0.000 A 58 VAL CGx C 13 21.883 0.000 A 58 VAL N N 15 117.163 0.098 A 59 TRP H H 1 8.797 0.009 A 59 TRP HA H 1 3.954 0.007 A 59 TRP HBx H 1 2.060 0.006 A 59 TRP HBy H 1 2.171 0.003 A 59 TRP HD1 H 1 7.113 0.002 A 59 TRP HE1 H 1 9.982 0.005 A 59 TRP HE3 H 1 7.224 0.007 A 59 TRP HH2 H 1 7.302 0.024 A 59 TRP HZ2 H 1 7.605 0.003 A 59 TRP HZ3 H 1 6.760 0.003 A 59 TRP C C 13 177.457 0.000 A 59 TRP CA C 13 60.679 0.019 A 59 TRP CB C 13 29.656 0.019 A 59 TRP CE3 C 13 119.171 0.000 A 59 TRP CH2 C 13 124.884 0.031 A 59 TRP CZ2 C 13 115.109 0.048 A 59 TRP CZ3 C 13 122.164 0.020 A 59 TRP N N 15 120.849 0.073 A 59 TRP NE1 N 15 129.020 0.023 A 60 ALA H H 1 8.749 0.014 A 60 ALA HA H 1 3.970 0.005 A 60 ALA HB% H 1 1.311 0.002 A 60 ALA C C 13 179.731 0.000 A 60 ALA CA C 13 54.737 0.000 A 60 ALA CB C 13 17.710 0.000 A 60 ALA N N 15 118.603 0.185 A 61 ALA H H 1 7.050 0.008 A 61 ALA HA H 1 4.132 0.003 A 61 ALA HB% H 1 1.538 0.003 A 61 ALA C C 13 180.088 0.000 A 61 ALA CA C 13 54.529 0.000 A 61 ALA CB C 13 18.723 0.000 A 61 ALA N N 15 119.304 0.196 A 62 PHE H H 1 7.807 0.006 A 62 PHE HA H 1 3.960 0.013 A 62 PHE HBx H 1 2.681 0.010 A 62 PHE HBy H 1 2.879 0.010 A 62 PHE HD1 H 1 6.440 0.004 A 62 PHE HD2 H 1 6.440 0.004 A 62 PHE HE1 H 1 7.103 0.007 A 62 PHE HE2 H 1 7.103 0.007 A 62 PHE C C 13 177.509 0.000 A 62 PHE CA C 13 60.670 0.010 A 62 PHE CB C 13 38.188 0.044 A 62 PHE CD1 C 13 131.757 0.005 A 62 PHE CD2 C 13 131.757 0.005 A 62 PHE CE1 C 13 131.468 0.000 A 62 PHE CE2 C 13 131.468 0.000 A 62 PHE N N 15 118.517 0.039 A 63 GLU H H 1 8.234 0.011 A 63 GLU HA H 1 3.377 0.006 A 63 GLU HBx H 1 1.732 0.001 A 63 GLU HBy H 1 1.802 0.009 A 63 GLU HG3 H 1 2.409 0.000 A 63 GLU C C 13 178.961 0.000 A 63 GLU CA C 13 59.246 0.037 A 63 GLU CB C 13 29.607 0.000 A 63 GLU CG C 13 36.656 0.000 A 63 GLU N N 15 119.957 0.083 A 64 ASP H H 1 7.908 0.010 A 64 ASP HA H 1 4.335 0.004 A 64 ASP HBx H 1 2.610 0.024 A 64 ASP HBy H 1 2.652 0.003 A 64 ASP C C 13 177.702 0.000 A 64 ASP CA C 13 56.116 0.029 A 64 ASP CB C 13 40.725 0.048 A 64 ASP N N 15 117.696 0.075 A 65 LYS H H 1 7.225 0.008 A 65 LYS HA H 1 4.117 0.005 A 65 LYS HBx H 1 1.638 0.004 A 65 LYS HBy H 1 1.768 0.003 A 65 LYS HD3 H 1 1.627 0.000 A 65 LYS HE2 H 1 2.984 0.003 A 65 LYS HG2 H 1 1.379 0.007 A 65 LYS C C 13 176.645 0.000 A 65 LYS CA C 13 56.732 0.005 A 65 LYS CB C 13 32.724 0.015 A 65 LYS CD C 13 29.068 0.000 A 65 LYS CE C 13 42.285 0.000 A 65 LYS CG C 13 25.002 0.000 A 65 LYS N N 15 117.395 0.039 A 66 ASN H H 1 7.477 0.006 A 66 ASN HA H 1 4.540 0.009 A 66 ASN HBx H 1 2.008 0.007 A 66 ASN HBy H 1 2.425 0.011 A 66 ASN HD2y H 1 7.087 0.009 A 66 ASN HD2x H 1 6.514 0.009 A 66 ASN C C 13 174.188 0.000 A 66 ASN CA C 13 52.841 0.062 A 66 ASN CB C 13 39.243 0.005 A 66 ASN N N 15 118.214 0.080 A 66 ASN ND2 N 15 114.415 0.208 A 67 LEU H H 1 7.699 0.016 A 67 LEU HA H 1 4.458 0.005 A 67 LEU C C 13 174.817 0.000 A 67 LEU CA C 13 52.742 0.000 A 67 LEU CB C 13 42.178 0.000 A 67 LEU N N 15 123.332 0.054 A 68 PRO HA H 1 4.345 0.000 A 68 PRO HBx H 1 1.454 0.009 A 68 PRO HBy H 1 2.116 0.000 A 68 PRO C C 13 175.972 0.000 A 68 PRO CA C 13 62.069 0.000 A 68 PRO CB C 13 31.431 0.000 A 68 PRO CD C 13 50.369 0.000 A 68 PRO CG C 13 27.102 0.000 A 69 GLU H H 1 8.413 0.012 A 69 GLU HA H 1 4.109 0.001 A 69 GLU HBx H 1 1.993 0.028 A 69 GLU HBy H 1 2.017 0.026 A 69 GLU HG3 H 1 2.338 0.029 A 69 GLU C C 13 177.852 0.000 A 69 GLU CA C 13 57.949 0.001 A 69 GLU CB C 13 29.571 0.029 A 69 GLU CG C 13 36.040 0.000 A 69 GLU N N 15 121.660 0.059 A 70 GLY H H 1 8.937 0.017 A 70 GLY HAy H 1 3.928 0.000 A 70 GLY HAx H 1 3.772 0.011 A 70 GLY C C 13 174.742 0.000 A 70 GLY CA C 13 45.247 0.000 A 70 GLY N N 15 111.989 0.059 A 71 TYR H H 1 7.984 0.006 A 71 TYR HA H 1 5.015 0.006 A 71 TYR HBy H 1 3.026 0.015 A 71 TYR HBx H 1 2.464 0.005 A 71 TYR HD1 H 1 7.284 0.005 A 71 TYR HD2 H 1 7.284 0.005 A 71 TYR HE1 H 1 7.154 0.003 A 71 TYR HE2 H 1 7.154 0.003 A 71 TYR C C 13 174.525 0.000 A 71 TYR CA C 13 56.804 0.000 A 71 TYR CB C 13 40.394 0.043 A 71 TYR CD1 C 13 131.602 0.041 A 71 TYR CD2 C 13 131.602 0.041 A 71 TYR CE1 C 13 119.946 0.000 A 71 TYR CE2 C 13 119.946 0.000 A 71 TYR N N 15 121.192 0.054 A 72 ALA H H 1 9.250 0.006 A 72 ALA HA H 1 4.613 0.007 A 72 ALA HB% H 1 1.170 0.029 A 72 ALA C C 13 174.941 0.000 A 72 ALA CA C 13 50.836 0.000 A 72 ALA CB C 13 22.822 0.000 A 72 ALA N N 15 121.768 0.066 A 73 ARG H H 1 8.624 0.015 A 73 ARG HA H 1 5.001 0.002 A 73 ARG HBx H 1 1.566 0.014 A 73 ARG HBy H 1 1.722 0.031 A 73 ARG HD3 H 1 3.531 0.000 A 73 ARG C C 13 175.963 0.000 A 73 ARG CA C 13 55.113 0.020 A 73 ARG CB C 13 30.841 0.000 A 73 ARG CD C 13 42.694 0.000 A 73 ARG CG C 13 27.881 0.000 A 73 ARG N N 15 121.617 0.068 A 74 VAL H H 1 9.188 0.009 A 74 VAL HA H 1 4.611 0.012 A 74 VAL HB H 1 1.924 0.007 A 74 VAL HGx% H 1 0.876 0.009 A 74 VAL HGy% H 1 0.782 0.000 A 74 VAL C C 13 173.729 0.000 A 74 VAL CA C 13 59.703 0.016 A 74 VAL CB C 13 35.091 0.001 A 74 VAL CG2 C 13 20.768 0.000 A 74 VAL N N 15 125.491 0.070 A 75 THR H H 1 8.268 0.019 A 75 THR HA H 1 5.526 0.012 A 75 THR HB H 1 3.897 0.010 A 75 THR HG2% H 1 1.120 0.010 A 75 THR C C 13 173.549 0.000 A 75 THR CA C 13 60.855 0.019 A 75 THR CB C 13 70.574 0.000 A 75 THR CG2 C 13 20.674 0.007 A 75 THR N N 15 121.573 0.000 A 76 ALA H H 1 9.083 0.009 A 76 ALA HA H 1 4.885 0.007 A 76 ALA HB% H 1 1.112 0.033 A 76 ALA C C 13 174.980 0.000 A 76 ALA CA C 13 50.702 0.010 A 76 ALA CB C 13 23.286 0.014 A 76 ALA N N 15 128.305 0.070 A 77 VAL H H 1 8.706 0.006 A 77 VAL HA H 1 4.670 0.011 A 77 VAL HB H 1 2.035 0.008 A 77 VAL HG1% H 1 0.886 0.008 A 77 VAL C C 13 175.596 0.000 A 77 VAL CA C 13 62.388 0.025 A 77 VAL CB C 13 31.814 0.033 A 77 VAL CG2 C 13 21.763 0.000 A 77 VAL N N 15 122.809 0.062 A 78 LEU H H 1 8.760 0.008 A 78 LEU HA H 1 5.014 0.009 A 78 LEU C C 13 173.594 0.000 A 78 LEU CA C 13 50.798 0.012 A 78 LEU CB C 13 46.802 0.000 A 78 LEU N N 15 125.313 0.061 A 79 PRO HA H 1 4.193 0.000 A 79 PRO HB3 H 1 3.240 0.008 A 79 PRO CA C 13 60.509 0.000 A 79 PRO CB C 13 29.579 0.000 A 79 PRO CG C 13 33.375 0.000 A 80 GLU H H 1 8.715 0.026 A 80 GLU HA H 1 3.685 0.011 A 80 GLU HB3 H 1 1.878 0.000 A 80 GLU CA C 13 60.260 0.000 A 80 GLU CB C 13 35.906 0.000 A 80 GLU CG C 13 29.434 0.000 A 80 GLU N N 15 118.476 0.106 A 81 HIS H H 1 8.500 0.007 A 81 HIS HA H 1 4.336 0.019 A 81 HIS HBx H 1 2.936 0.012 A 81 HIS HBy H 1 3.090 0.026 A 81 HIS HD2 H 1 7.873 0.005 A 81 HIS HE1 H 1 7.040 0.018 A 81 HIS C C 13 177.722 0.000 A 81 HIS CA C 13 59.310 0.000 A 81 HIS CB C 13 28.717 0.000 A 81 HIS CE1 C 13 131.650 0.000 A 81 HIS N N 15 114.843 0.073 A 82 GLN H H 1 6.519 0.019 A 82 GLN HA H 1 3.655 0.007 A 82 GLN HE2x H 1 6.842 0.007 A 82 GLN HE2y H 1 7.506 0.003 A 82 GLN C C 13 177.507 0.000 A 82 GLN CA C 13 57.367 0.013 A 82 GLN CB C 13 28.575 0.000 A 82 GLN CG C 13 33.458 0.000 A 82 GLN N N 15 118.527 0.052 A 82 GLN NE2 N 15 111.832 0.043 A 83 ALA H H 1 7.977 0.006 A 83 ALA HA H 1 3.713 0.020 A 83 ALA HB% H 1 1.227 0.012 A 83 ALA C C 13 178.645 0.000 A 83 ALA CA C 13 55.558 0.054 A 83 ALA CB C 13 17.583 0.038 A 83 ALA N N 15 123.185 0.048 A 84 TYR H H 1 7.849 0.011 A 84 TYR HA H 1 4.029 0.004 A 84 TYR HBy H 1 3.071 0.008 A 84 TYR HBx H 1 3.011 0.027 A 84 TYR HD1 H 1 7.059 0.004 A 84 TYR HD2 H 1 7.059 0.004 A 84 TYR HE1 H 1 6.784 0.010 A 84 TYR HE2 H 1 6.784 0.010 A 84 TYR C C 13 178.113 0.000 A 84 TYR CA C 13 61.010 0.019 A 84 TYR CB C 13 38.062 0.182 A 84 TYR CD1 C 13 133.204 0.060 A 84 TYR CD2 C 13 133.204 0.060 A 84 TYR CE1 C 13 118.016 0.015 A 84 TYR CE2 C 13 118.016 0.015 A 84 TYR N N 15 115.407 0.147 A 85 ILE H H 1 6.802 0.010 A 85 ILE HA H 1 3.236 0.008 A 85 ILE HB H 1 1.696 0.019 A 85 ILE HD1% H 1 0.762 0.012 A 85 ILE HG2% H 1 -0.087 0.003 A 85 ILE C C 13 176.924 0.000 A 85 ILE CA C 13 64.367 0.051 A 85 ILE CB C 13 37.553 0.000 A 85 ILE CD1 C 13 12.760 0.000 A 85 ILE CG1 C 13 28.351 0.000 A 85 ILE CG2 C 13 15.902 0.004 A 85 ILE N N 15 120.278 0.076 A 86 VAL H H 1 7.635 0.009 A 86 VAL HA H 1 3.243 0.006 A 86 VAL HB H 1 2.081 0.004 A 86 VAL HGx% H 1 0.995 0.015 A 86 VAL HGy% H 1 1.661 1.987 A 86 VAL C C 13 177.626 0.000 A 86 VAL CA C 13 66.865 0.005 A 86 VAL CB C 13 31.048 0.000 A 86 VAL CGx C 13 22.613 0.000 A 86 VAL CGy C 13 24.889 0.000 A 86 VAL N N 15 118.528 0.055 A 87 ARG H H 1 7.851 0.012 A 87 ARG HA H 1 4.066 0.006 A 87 ARG HB3 H 1 1.859 0.000 A 87 ARG C C 13 179.988 0.000 A 87 ARG CA C 13 59.595 0.034 A 87 ARG CB C 13 29.867 0.033 A 87 ARG CD C 13 43.450 0.000 A 87 ARG CG C 13 28.114 0.000 A 87 ARG N N 15 117.129 0.079 A 88 LYS H H 1 7.546 0.010 A 88 LYS HA H 1 4.124 0.006 A 88 LYS HB3 H 1 1.745 0.000 A 88 LYS C C 13 178.845 0.000 A 88 LYS CA C 13 59.360 0.000 A 88 LYS CB C 13 31.488 0.042 A 88 LYS CD C 13 29.023 0.000 A 88 LYS CE C 13 42.184 0.000 A 88 LYS CG C 13 24.677 0.000 A 88 LYS N N 15 122.799 0.083 A 89 TRP H H 1 8.882 0.007 A 89 TRP HA H 1 4.749 0.007 A 89 TRP HB3 H 1 1.985 0.000 A 89 TRP HD1 H 1 7.133 0.000 A 89 TRP HE1 H 1 9.853 0.006 A 89 TRP HE3 H 1 6.503 0.004 A 89 TRP HH2 H 1 6.859 0.006 A 89 TRP HZ2 H 1 7.468 0.005 A 89 TRP HZ3 H 1 6.875 0.000 A 89 TRP C C 13 181.112 0.000 A 89 TRP CA C 13 57.636 0.010 A 89 TRP CB C 13 29.356 0.191 A 89 TRP CE3 C 13 120.777 0.029 A 89 TRP CH2 C 13 125.261 0.017 A 89 TRP CZ2 C 13 114.238 0.003 A 89 TRP CZ3 C 13 119.052 0.000 A 89 TRP N N 15 121.555 0.074 A 89 TRP NE1 N 15 126.134 0.034 A 90 GLU H H 1 8.880 0.008 A 90 GLU HA H 1 4.123 0.005 A 90 GLU HB3 H 1 2.092 0.000 A 90 GLU C C 13 178.441 0.000 A 90 GLU CA C 13 59.744 0.038 A 90 GLU CB C 13 30.276 0.020 A 90 GLU CG C 13 36.907 0.000 A 90 GLU N N 15 121.537 0.075 A 91 ALA H H 1 7.857 0.005 A 91 ALA HA H 1 4.213 0.004 A 91 ALA HB% H 1 1.627 0.001 A 91 ALA C C 13 181.174 0.000 A 91 ALA CA C 13 55.188 0.038 A 91 ALA CB C 13 18.103 0.017 A 91 ALA N N 15 122.591 0.073 A 92 ASP H H 1 8.794 0.015 A 92 ASP HA H 1 4.479 0.002 A 92 ASP HBx H 1 2.753 0.000 A 92 ASP HBy H 1 2.942 0.000 A 92 ASP C C 13 178.802 0.000 A 92 ASP CA C 13 57.015 0.000 A 92 ASP CB C 13 40.519 0.000 A 92 ASP N N 15 119.693 0.048 A 93 ALA H H 1 8.023 0.008 A 93 ALA HA H 1 4.353 0.007 A 93 ALA HB% H 1 1.789 0.016 A 93 ALA C C 13 179.753 0.000 A 93 ALA CA C 13 54.189 0.023 A 93 ALA CB C 13 18.325 0.041 A 93 ALA N N 15 121.625 0.054 A 94 LYS H H 1 7.932 0.007 A 94 LYS HA H 1 4.164 0.002 A 94 LYS HBx H 1 1.961 0.008 A 94 LYS HBy H 1 2.013 0.000 A 94 LYS HD3 H 1 1.520 0.004 A 94 LYS HG2 H 1 1.756 0.033 A 94 LYS C C 13 178.928 0.000 A 94 LYS CA C 13 58.345 0.008 A 94 LYS CB C 13 33.827 0.000 A 94 LYS CD C 13 29.260 0.000 A 94 LYS CE C 13 42.089 0.000 A 94 LYS CG C 13 25.150 0.000 A 94 LYS N N 15 118.983 0.054 A 95 LYS H H 1 7.787 0.006 A 95 LYS HA H 1 4.215 0.003 A 95 LYS HBx H 1 1.743 0.007 A 95 LYS HBy H 1 1.942 0.003 A 95 LYS HD3 H 1 1.711 0.020 A 95 LYS HE2 H 1 3.007 0.010 A 95 LYS HGx H 1 1.495 0.024 A 95 LYS HGy H 1 1.571 0.006 A 95 LYS C C 13 178.220 0.000 A 95 LYS CA C 13 57.768 0.022 A 95 LYS CB C 13 32.717 0.036 A 95 LYS CD C 13 29.034 0.000 A 95 LYS CE C 13 42.081 0.000 A 95 LYS CG C 13 24.820 0.000 A 95 LYS N N 15 119.525 0.059 A 96 LYS H H 1 7.916 0.007 A 96 LYS HA H 1 4.224 0.002 A 96 LYS HBx H 1 1.917 0.007 A 96 LYS HBy H 1 1.968 0.006 A 96 LYS HD3 H 1 1.549 0.002 A 96 LYS C C 13 177.628 0.000 A 96 LYS CA C 13 57.390 0.025 A 96 LYS CB C 13 32.489 0.000 A 96 LYS CD C 13 28.918 0.000 A 96 LYS CE C 13 38.784 0.000 A 96 LYS CG C 13 24.868 0.000 A 96 LYS N N 15 119.966 0.063 A 97 GLN H H 1 7.999 0.007 A 97 GLN HA H 1 4.257 0.031 A 97 GLN HBx H 1 1.997 0.044 A 97 GLN HBy H 1 2.118 0.017 A 97 GLN HE2y H 1 7.074 0.007 A 97 GLN HE2x H 1 6.635 0.005 A 97 GLN HGx H 1 2.326 0.026 A 97 GLN HGy H 1 2.383 0.015 A 97 GLN C C 13 176.693 0.000 A 97 GLN CA C 13 56.432 0.000 A 97 GLN CB C 13 29.171 0.000 A 97 GLN CD C 13 179.980 0.009 A 97 GLN CG C 13 33.752 0.000 A 97 GLN N N 15 119.271 0.075 A 97 GLN NE2 N 15 110.666 0.215 A 98 GLU H H 1 8.139 0.007 A 98 GLU HA H 1 4.314 0.008 A 98 GLU HBx H 1 2.068 0.021 A 98 GLU HBy H 1 2.092 0.033 A 98 GLU HGy H 1 2.389 0.012 A 98 GLU HGx H 1 2.291 0.009 A 98 GLU C C 13 176.800 0.000 A 98 GLU CA C 13 56.900 0.000 A 98 GLU CB C 13 30.321 0.035 A 98 GLU CG C 13 36.208 0.000 A 98 GLU N N 15 120.658 0.069 A 99 THR H H 1 8.031 0.008 A 99 THR HA H 1 4.313 0.004 A 99 THR HB H 1 4.229 0.001 A 99 THR HG2% H 1 1.237 0.004 A 99 THR C C 13 174.462 0.000 A 99 THR CA C 13 62.130 0.024 A 99 THR CB C 13 69.752 0.003 A 99 THR CG2 C 13 21.526 0.000 A 99 THR N N 15 114.689 0.056 A 100 LYS H H 1 8.218 0.012 A 100 LYS HA H 1 4.323 0.044 A 100 LYS HBy H 1 1.848 0.040 A 100 LYS HBx H 1 1.827 0.041 A 100 LYS HD3 H 1 1.684 0.000 A 100 LYS HE2 H 1 2.999 0.000 A 100 LYS HG2 H 1 1.454 0.006 A 100 LYS C C 13 175.579 0.000 A 100 LYS CA C 13 56.326 0.006 A 100 LYS CB C 13 32.765 0.000 A 100 LYS CD C 13 29.025 0.000 A 100 LYS CG C 13 24.816 0.000 A 100 LYS N N 15 124.627 0.054 A 101 ARG H H 1 7.974 0.014 A 101 ARG HA H 1 4.183 0.013 A 101 ARG HB3 H 1 1.843 0.009 A 101 ARG HD3 H 1 3.183 0.001 A 101 ARG HGx H 1 1.604 0.006 A 101 ARG HGy H 1 1.684 0.043 A 101 ARG C C 13 181.091 0.000 A 101 ARG CA C 13 57.355 0.000 A 101 ARG CB C 13 31.681 0.000 A 101 ARG N N 15 128.105 0.070 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 noe _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 50 ALA H A 50 ALA HA 1.0 1.7 3.5 2 2 A 50 ALA H A 47 THR HG1 1.0 1.9 4.7 3 3 A 78 LEU H A 77 VAL HB 1.0 2.0 5.4 4 4 A 15 GLN H A 13 ALA HA 1.0 2.0 5.0 5 5 A 37 GLN H A 37 GLN HBx 1.0 1.8 3.8 6 6 A 67 LEU H A 68 PRO HGy 1.0 0.0 6.0 7 7 A 13 ALA HA A 14 ILE H 1.0 1.9 4.5 8 8 A 34 GLY H A 4 ARG HGx 1.0 1.9 4.5 9 9 A 29 GLY H A 28 ARG HGx 1.0 2.0 5.4 10 10 A 20 GLY H A 23 THR HG1 1.0 2.0 5.2 11 11 A 45 GLY H A 43 SER HA 1.0 2.0 5.2 12 12 A 39 THR H A 39 THR HG1 1.0 1.8 3.6 13 13 A 6 THR H A 6 THR HA 1.0 1.9 4.3 14 14 A 42 THR H A 42 THR HG1 1.0 1.8 3.6 15 15 A 97 GLN HE2y A 97 GLN HGy 1.0 1.9 4.3 16 16 A 97 GLN HGy A 97 GLN HE2x 1.0 1.9 4.7 17 17 A 97 GLN HE2x A 94 LYS HG2 1.0 0.0 6.0 18 18 A 53 GLN HE2y A 53 GLN HGy 1.0 1.9 4.1 19 19 A 53 GLN HGy A 53 GLN HE2x 1.0 1.9 4.7 20 20 A 53 GLN HE2y A 53 GLN HGx 1.0 1.9 4.7 21 21 A 53 GLN HE2x A 53 GLN HGx 1.0 2.0 5.0 22 22 A 70 GLY H A 70 GLY HAx 1.0 1.8 3.6 23 23 A 70 GLY H A 69 GLU HG3 1.0 1.9 4.3 24 24 A 15 GLN HE2y A 15 GLN HGy 1.0 1.8 3.6 25 25 A 15 GLN HGy A 15 GLN HE2x 1.0 0.0 6.0 26 26 A 6 THR HA A 8 SER H 1.0 2.0 4.6 27 27 A 8 SER H A 7 GLU HGy 1.0 1.9 4.9 28 28 A 8 SER H A 6 THR HG1 1.0 1.9 4.5 29 29 A 91 ALA H A 92 ASP HBx 1.0 1.9 4.7 30 30 A 91 ALA H A 90 GLU HB3 1.0 2.0 4.4 31 31 A 6 THR HG1 A 9 GLN H 1.0 2.0 4.6 32 32 A 35 LYS H A 29 GLY HAy 1.0 0.0 6.0 33 33 A 4 ARG HGx A 35 LYS H 1.0 0.0 6.0 34 34 A 69 GLU H A 69 GLU HA 1.0 1.8 3.6 35 35 A 69 GLU HG3 A 69 GLU H 1.0 0.0 6.0 36 36 A 69 GLU H A 68 PRO HBy 1.0 0.0 6.0 37 37 A 69 GLU H A 69 GLU HBy 1.0 1.7 3.3 38 38 A 69 GLU H A 69 GLU HBx 1.0 1.7 3.3 39 39 A 69 GLU H A 68 PRO HGx 1.0 0.0 6.0 40 40 A 93 ALA H A 91 ALA HA 1.0 2.0 4.6 41 41 A 69 GLU HA A 71 TYR H 1.0 1.9 4.3 42 42 A 93 ALA H A 89 TRP HA 1.0 2.0 5.2 43 43 A 93 ALA H A 92 ASP HBy 1.0 1.8 4.0 44 44 A 92 ASP HBx A 93 ALA H 1.0 1.8 4.0 45 45 A 93 ALA H A 94 LYS HBx 1.0 0.0 6.0 46 46 A 4 ARG H A 59 TRP HH2 1.0 1.9 4.3 47 47 A 6 THR HA A 7 GLU H 1.0 1.7 3.3 48 48 A 41 ALA H A 42 THR HB 1.0 2.0 5.4 49 49 A 39 THR HG1 A 40 PHE H 1.0 1.9 3.9 50 50 A 98 GLU H A 98 GLU HGx 1.0 0.0 6.0 51 51 A 98 GLU H A 98 GLU HBx 1.0 1.6 3.0 52 52 A 98 GLU H A 99 THR H 1.0 0.0 6.0 53 53 A 48 ARG H A 47 THR HB 1.0 1.8 3.6 54 54 A 48 ARG H A 47 THR HA 1.0 1.8 3.4 55 55 A 48 ARG H A 48 ARG HA 1.0 1.8 4.0 56 56 A 48 ARG H A 48 ARG HBy 1.0 1.8 3.6 57 57 A 48 ARG H A 48 ARG HG2 1.0 1.9 4.5 58 58 A 47 THR HG1 A 48 ARG H 1.0 0.0 6.0 59 59 A 46 LEU H A 46 LEU HA 1.0 1.8 4.0 60 60 A 96 LYS H A 92 ASP HA 1.0 2.0 5.4 61 61 A 96 LYS H A 93 ALA HA 1.0 1.8 4.2 62 62 A 92 ASP HBx A 92 ASP H 1.0 1.8 3.6 63 63 A 92 ASP HBy A 92 ASP H 1.0 1.8 3.6 64 64 A 28 ARG H A 28 ARG HB3 1.0 1.7 3.5 65 65 A 28 ARG H A 26 ILE HG1y 1.0 0.0 6.0 66 66 A 28 ARG HGx A 28 ARG H 1.0 2.0 5.0 67 67 A 28 ARG H A 10 PHE HZ 1.0 1.9 4.1 68 68 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.8 69 69 A 45 GLY H A 46 LEU H 1.0 1.7 3.3 70 70 A 93 ALA HA A 95 LYS H 1.0 2.0 5.0 71 71 A 95 LYS H A 95 LYS HBy 1.0 0.0 6.0 72 72 A 95 LYS H A 95 LYS HBx 1.0 1.8 3.8 73 73 A 95 LYS H A 95 LYS HGy 1.0 0.0 6.0 74 74 A 95 LYS H A 94 LYS HD3 1.0 0.0 6.0 75 75 A 61 ALA H A 58 VAL HA 1.0 1.9 4.3 76 76 A 61 ALA H A 62 PHE HBx 1.0 2.0 5.4 77 77 A 61 ALA H A 61 ALA HA 1.0 1.8 3.4 78 78 A 61 ALA H A 60 ALA HA 1.0 1.9 4.1 79 79 A 61 ALA H A 62 PHE H 1.0 1.8 3.8 80 80 A 61 ALA H A 60 ALA H 1.0 1.8 3.8 81 81 A 21 GLN H A 19 VAL HB 1.0 0.0 6.0 82 82 A 25 GLU H A 25 GLU HGx 1.0 1.9 3.9 83 83 A 25 GLU H A 25 GLU HBy 1.0 1.7 3.3 84 84 A 25 GLU H A 24 ILE HG1x 1.0 1.9 4.5 85 84 A 25 GLU H A 24 ILE HG1y 1.0 1.9 4.5 86 85 A 98 GLU H A 97 GLN H 1.0 1.8 3.6 87 86 A 95 LYS H A 97 GLN H 1.0 2.0 5.4 88 87 A 97 GLN H A 98 GLU HA 1.0 1.9 4.9 89 88 A 97 GLN HGy A 97 GLN H 1.0 1.8 3.6 90 89 A 98 GLU HBx A 97 GLN H 1.0 0.0 6.0 91 90 A 51 VAL H A 52 SER H 1.0 1.8 3.6 92 91 A 48 ARG HA A 51 VAL H 1.0 1.9 4.1 93 92 A 39 THR HG1 A 38 ALA H 1.0 1.9 5.3 94 93 A 32 VAL H A 31 LEU H 1.0 1.9 4.1 95 94 A 32 VAL H A 5 LEU H 1.0 0.0 6.0 96 95 A 32 VAL H A 28 ARG HA 1.0 1.9 4.3 97 96 A 28 ARG HB3 A 32 VAL H 1.0 0.0 6.0 98 97 A 62 PHE H A 63 GLU HBy 1.0 2.0 5.0 99 98 A 57 ARG H A 57 ARG HG2 1.0 2.0 5.4 100 99 A 57 ARG H A 57 ARG HBy 1.0 1.8 3.4 101 100 A 57 ARG H A 57 ARG HBx 1.0 1.8 3.4 102 101 A 57 ARG H A 56 HIS HA 1.0 2.0 4.4 103 102 A 57 ARG H A 54 ALA HA 1.0 1.9 4.1 104 103 A 57 ARG H A 57 ARG HA 1.0 1.8 3.4 105 104 A 57 ARG H A 53 GLN H 1.0 0.0 6.0 106 105 A 57 ARG H A 58 VAL H 1.0 1.8 3.8 107 106 A 66 ASN H A 66 ASN HD2y 1.0 2.0 4.6 108 107 A 66 ASN H A 66 ASN HA 1.0 1.7 3.5 109 108 A 66 ASN H A 66 ASN HBy 1.0 1.8 3.8 110 109 A 66 ASN H A 66 ASN HBx 1.0 1.8 3.6 111 110 A 66 ASN H A 65 LYS HG2 1.0 2.0 5.0 112 111 A 44 LEU H A 44 LEU HBy 1.0 0.0 6.0 113 112 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.6 114 113 A 46 LEU H A 44 LEU H 1.0 1.9 4.7 115 114 A 63 GLU HBy A 64 ASP H 1.0 1.9 4.1 116 115 A 64 ASP H A 63 GLU HBx 1.0 2.0 4.6 117 116 A 66 ASN HA A 65 LYS H 1.0 2.0 5.4 118 117 A 66 ASN HBx A 65 LYS H 1.0 2.0 5.4 119 118 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.6 120 119 A 65 LYS H A 65 LYS HBx 1.0 1.7 3.5 121 120 A 65 LYS HG2 A 65 LYS H 1.0 0.0 6.0 122 121 A 56 HIS HA A 58 VAL H 1.0 2.0 5.4 123 122 A 54 ALA HA A 58 VAL H 1.0 1.9 5.1 124 123 A 58 VAL HA A 58 VAL H 1.0 1.8 4.0 125 124 A 58 VAL H A 55 VAL HA 1.0 2.0 5.0 126 125 A 58 VAL H A 56 HIS HBx 1.0 0.0 6.0 127 126 A 57 ARG HG2 A 58 VAL H 1.0 1.9 4.7 128 127 A 87 ARG H A 86 VAL HB 1.0 1.9 4.3 129 128 A 87 ARG H A 87 ARG HB3 1.0 1.8 3.4 130 129 A 87 ARG H A 85 ILE HB 1.0 0.0 6.0 131 130 A 56 HIS H A 53 GLN HA 1.0 1.9 4.1 132 131 A 4 ARG HGx A 33 ASP H 1.0 2.0 5.4 133 132 A 43 SER H A 43 SER HBx 1.0 1.7 3.1 134 133 A 42 THR HG1 A 43 SER H 1.0 0.0 6.0 135 134 A 11 GLN H A 10 PHE HBx 1.0 1.9 4.5 136 135 A 11 GLN H A 10 PHE HBy 1.0 1.9 4.1 137 136 A 84 TYR H A 84 TYR HBy 1.0 1.8 3.6 138 137 A 84 TYR H A 84 TYR HBx 1.0 1.8 3.6 139 138 A 84 TYR H A 81 HIS HA 1.0 1.9 4.9 140 139 A 84 TYR H A 84 TYR HA 1.0 1.8 3.8 141 140 A 84 TYR H A 83 ALA HA 1.0 1.9 4.5 142 141 A 83 ALA H A 84 TYR H 1.0 1.9 4.1 143 142 A 87 ARG H A 84 TYR H 1.0 0.0 6.0 144 143 A 84 TYR H A 85 ILE H 1.0 1.9 4.5 145 144 A 99 THR H A 98 GLU HBy 1.0 1.9 4.3 146 145 A 99 THR H A 100 LYS H 1.0 1.9 3.9 147 146 A 100 LYS H A 99 THR HB 1.0 1.9 4.1 148 147 A 49 GLY H A 52 SER HBx 1.0 2.0 6.0 149 148 A 58 VAL HA A 57 ARG H 1.0 2.0 6.0 150 149 A 64 ASP H A 63 GLU H 1.0 1.9 4.1 151 150 A 75 THR H A 74 VAL H 1.0 2.0 5.2 152 151 A 54 ALA HA A 54 ALA H 1.0 1.8 3.4 153 152 A 52 SER HBx A 54 ALA H 1.0 0.0 6.0 154 153 A 54 ALA H A 51 VAL HA 1.0 1.9 4.5 155 154 A 53 GLN HGy A 54 ALA H 1.0 2.0 5.8 156 155 A 53 GLN HGx A 54 ALA H 1.0 2.0 5.6 157 156 A 54 ALA H A 53 GLN HBx 1.0 1.8 3.6 158 157 A 88 LYS H A 89 TRP HB3 1.0 0.0 6.0 159 158 A 88 LYS H A 88 LYS HB3 1.0 1.8 3.6 160 159 A 19 VAL H A 19 VAL HA 1.0 1.7 3.5 161 160 A 23 THR H A 23 THR HB 1.0 1.7 3.3 162 161 A 23 THR H A 21 GLN HA 1.0 2.0 5.4 163 162 A 23 THR H A 23 THR HA 1.0 1.8 3.8 164 163 A 94 LYS H A 94 LYS HA 1.0 1.8 3.4 165 164 A 78 LEU H B 72 ALA H 1.0 1.9 5.1 166 165 A 10 PHE HBy A 10 PHE H 1.0 1.7 3.3 167 166 A 60 ALA H A 59 TRP HE3 1.0 2.0 5.8 168 167 A 87 ARG H A 85 ILE H 1.0 2.0 6.0 169 168 A 91 ALA H A 88 LYS H 1.0 2.0 6.0 170 169 A 93 ALA H A 94 LYS H 1.0 1.8 3.6 171 170 A 93 ALA H A 95 LYS H 1.0 1.9 4.3 172 171 A 6 THR H A 6 THR HB 1.0 2.0 5.0 173 172 A 11 GLN H A 10 PHE HA 1.0 1.9 4.3 174 173 A 15 GLN H A 15 GLN HA 1.0 1.8 3.6 175 174 A 33 ASP H A 34 GLY HAy 1.0 1.9 4.9 176 175 A 32 VAL H A 33 ASP HBx 1.0 2.0 6.0 177 176 A 42 THR HB A 43 SER H 1.0 1.8 3.4 178 177 A 43 SER HA A 43 SER H 1.0 1.7 3.3 179 178 A 46 LEU H A 45 GLY HAx 1.0 0.0 6.0 180 179 A 50 ALA HA A 47 THR H 1.0 2.0 5.8 181 180 A 54 ALA HA A 59 TRP H 1.0 0.0 6.0 182 181 A 61 ALA H A 62 PHE HBy 1.0 2.0 5.8 183 182 A 69 GLU HBx A 71 TYR H 1.0 0.0 6.0 184 183 A 75 THR H A 75 THR HB 1.0 1.8 3.8 185 184 A 75 THR H A 74 VAL HA 1.0 1.6 3.0 186 185 A 75 THR H A 75 THR HA 1.0 1.9 4.5 187 186 A 75 THR H A 74 VAL HB 1.0 1.8 4.0 188 187 A 75 THR H A 75 THR HG1 1.0 1.9 3.9 189 188 A 58 VAL HA A 59 TRP H 1.0 2.0 5.0 190 189 A 59 TRP H A 59 TRP HBy 1.0 1.9 5.1 191 190 A 59 TRP H A 58 VAL HB 1.0 1.8 4.0 192 191 A 56 HIS HA A 59 TRP H 1.0 1.9 4.5 193 192 A 11 GLN H A 14 ILE HG1y 1.0 2.0 5.8 194 193 A 90 GLU HB3 A 90 GLU H 1.0 1.8 4.0 195 194 A 88 LYS HB3 A 89 TRP H 1.0 1.9 4.1 196 195 A 63 GLU HBy A 59 TRP HE1 1.0 0.0 6.0 197 196 A 100 LYS H A 99 THR HG1 1.0 0.0 6.0 198 197 A 66 ASN H A 66 ASN HD2x 1.0 2.0 5.4 199 198 A 26 ILE H A 22 GLN HA 1.0 2.0 5.2 200 199 A 94 LYS HBx A 94 LYS H 1.0 1.6 3.0 201 200 A 92 ASP HBx A 94 LYS H 1.0 2.0 5.8 202 201 A 30 VAL H A 27 ALA HA 1.0 1.9 3.9 203 202 A 66 ASN HD2y A 66 ASN HBy 1.0 1.9 4.3 204 203 A 66 ASN HD2y A 66 ASN HA 1.0 2.0 5.4 205 204 A 66 ASN HA A 66 ASN HD2x 1.0 2.0 5.6 206 205 A 4 ARG HE A 4 ARG HDx 1.0 2.0 6.0 207 206 A 4 ARG HE A 4 ARG HBx 1.0 2.0 6.0 208 206 A 4 ARG HE A 4 ARG HGy 1.0 2.0 6.0 209 207 A 81 HIS H A 80 GLU HB3 1.0 2.0 5.8 210 208 A 5 LEU H A 31 LEU HA 1.0 2.0 4.6 211 209 A 5 LEU H A 4 ARG HDx 1.0 2.0 6.0 212 210 A 96 LYS H A 95 LYS HE2 1.0 2.0 6.0 213 211 A 62 PHE H A 60 ALA H 1.0 2.0 6.0 214 212 A 82 GLN H A 81 HIS H 1.0 2.0 6.0 215 213 A 58 VAL HA A 60 ALA H 1.0 2.0 5.8 216 214 B 50 ALA H B 50 ALA HA 1.0 1.7 3.5 217 215 B 50 ALA H B 47 THR HG1 1.0 1.9 4.7 218 216 B 78 LEU H B 77 VAL HB 1.0 2.0 5.4 219 217 B 15 GLN H B 13 ALA HA 1.0 2.0 5.0 220 218 B 37 GLN H B 37 GLN HBx 1.0 1.8 3.8 221 219 B 67 LEU H B 68 PRO HGy 1.0 0.0 6.0 222 220 B 13 ALA HA B 14 ILE H 1.0 1.9 4.5 223 221 B 34 GLY H B 4 ARG HGx 1.0 1.9 4.5 224 222 B 29 GLY H B 28 ARG HGx 1.0 2.0 5.4 225 223 B 20 GLY H B 23 THR HG1 1.0 2.0 5.2 226 224 B 45 GLY H B 43 SER HA 1.0 2.0 5.2 227 225 B 39 THR H B 39 THR HG1 1.0 1.8 3.6 228 226 B 6 THR H B 6 THR HA 1.0 1.9 4.3 229 227 B 42 THR H B 42 THR HG1 1.0 1.8 3.6 230 228 B 97 GLN HE2x B 97 GLN HGy 1.0 1.9 4.3 231 229 B 97 GLN HGy B 97 GLN HE2y 1.0 1.9 4.7 232 230 B 97 GLN HE2y B 94 LYS HGx 1.0 0.0 6.0 233 231 B 53 GLN HE2y B 53 GLN HGy 1.0 1.9 4.1 234 232 B 53 GLN HGy B 53 GLN HE2x 1.0 1.9 4.7 235 233 B 53 GLN HE2y B 53 GLN HGx 1.0 1.9 4.7 236 234 B 53 GLN HE2x B 53 GLN HGx 1.0 2.0 5.0 237 235 B 70 GLY H B 70 GLY HAy 1.0 1.8 3.6 238 236 B 70 GLY H B 69 GLU HGy 1.0 1.9 4.3 239 237 B 15 GLN HE2x B 15 GLN HGx 1.0 1.8 3.6 240 238 B 15 GLN HGx B 15 GLN HE2y 1.0 0.0 6.0 241 239 B 6 THR HA B 8 SER H 1.0 2.0 4.6 242 240 B 8 SER H B 7 GLU HGx 1.0 1.9 4.9 243 241 B 8 SER H B 6 THR HG1 1.0 1.9 4.5 244 242 B 91 ALA H B 92 ASP HBx 1.0 1.9 4.7 245 243 B 91 ALA H B 90 GLU HBy 1.0 2.0 4.4 246 244 B 6 THR HG1 B 9 GLN H 1.0 2.0 4.6 247 245 B 35 LYS H B 29 GLY HAy 1.0 0.0 6.0 248 246 B 4 ARG HGx B 35 LYS H 1.0 0.0 6.0 249 247 B 69 GLU H B 69 GLU HA 1.0 1.8 3.6 250 248 B 69 GLU HGy B 69 GLU H 1.0 0.0 6.0 251 249 B 69 GLU H B 68 PRO HBy 1.0 0.0 6.0 252 250 B 69 GLU H B 69 GLU HBy 1.0 1.7 3.3 253 251 B 69 GLU H B 69 GLU HBx 1.0 1.7 3.3 254 252 B 69 GLU H B 68 PRO HGx 1.0 0.0 6.0 255 253 B 93 ALA H B 91 ALA HA 1.0 2.0 4.6 256 254 B 69 GLU HA B 71 TYR H 1.0 1.9 4.3 257 255 B 93 ALA H B 89 TRP HA 1.0 2.0 5.2 258 256 B 93 ALA H B 92 ASP HBy 1.0 1.8 4.0 259 257 B 92 ASP HBx B 93 ALA H 1.0 1.8 4.0 260 258 B 93 ALA H B 94 LYS HBx 1.0 0.0 6.0 261 259 B 4 ARG H B 59 TRP HH2 1.0 1.9 4.3 262 260 B 6 THR HA B 7 GLU H 1.0 1.7 3.3 263 261 B 41 ALA H B 42 THR HB 1.0 2.0 5.4 264 262 B 39 THR HG1 B 40 PHE H 1.0 1.9 3.9 265 263 B 98 GLU H B 98 GLU HGy 1.0 0.0 6.0 266 264 B 98 GLU H B 98 GLU HBx 1.0 1.6 3.0 267 265 B 98 GLU H B 99 THR H 1.0 0.0 6.0 268 266 B 48 ARG H B 47 THR HB 1.0 1.8 3.6 269 267 B 48 ARG H B 47 THR HA 1.0 1.8 3.4 270 268 B 48 ARG H B 48 ARG HA 1.0 1.8 4.0 271 269 B 48 ARG H B 48 ARG HBy 1.0 1.8 3.6 272 270 B 48 ARG H B 48 ARG HGx 1.0 1.9 4.5 273 271 B 47 THR HG1 B 48 ARG H 1.0 0.0 6.0 274 272 B 46 LEU H B 46 LEU HA 1.0 1.8 4.0 275 273 B 96 LYS H B 92 ASP HA 1.0 2.0 5.4 276 274 B 96 LYS H B 93 ALA HA 1.0 1.8 4.2 277 275 B 92 ASP HBx B 92 ASP H 1.0 1.8 3.6 278 276 B 92 ASP HBy B 92 ASP H 1.0 1.8 3.6 279 277 B 28 ARG H B 28 ARG HBy 1.0 1.7 3.5 280 278 B 28 ARG H B 26 ILE HG1y 1.0 0.0 6.0 281 279 B 28 ARG HGx B 28 ARG H 1.0 2.0 5.0 282 280 B 28 ARG H B 10 PHE HZ 1.0 1.9 4.1 283 281 B 46 LEU H B 46 LEU HBy 1.0 1.8 3.8 284 282 B 45 GLY H B 46 LEU H 1.0 1.7 3.3 285 283 B 93 ALA HA B 95 LYS H 1.0 2.0 5.0 286 284 B 95 LYS H B 95 LYS HBy 1.0 0.0 6.0 287 285 B 95 LYS H B 95 LYS HBx 1.0 1.8 3.8 288 286 B 95 LYS H B 95 LYS HGy 1.0 0.0 6.0 289 287 B 95 LYS H B 94 LYS HDy 1.0 0.0 6.0 290 288 B 61 ALA H B 58 VAL HA 1.0 1.9 4.3 291 289 B 61 ALA H B 62 PHE HBx 1.0 2.0 5.4 292 290 B 61 ALA H B 61 ALA HA 1.0 1.8 3.4 293 291 B 61 ALA H B 60 ALA HA 1.0 1.9 4.1 294 292 B 61 ALA H B 62 PHE H 1.0 1.8 3.8 295 293 B 61 ALA H B 60 ALA H 1.0 1.8 3.8 296 294 B 21 GLN H B 19 VAL HB 1.0 0.0 6.0 297 295 B 25 GLU H B 25 GLU HGx 1.0 1.9 3.9 298 296 B 25 GLU H B 25 GLU HBy 1.0 1.7 3.3 299 297 B 25 GLU H B 24 ILE HG1x 1.0 1.9 4.5 300 297 B 25 GLU H B 24 ILE HG1y 1.0 1.9 4.5 301 298 B 98 GLU H B 97 GLN H 1.0 1.8 3.6 302 299 B 95 LYS H B 97 GLN H 1.0 2.0 5.4 303 300 B 97 GLN H B 98 GLU HA 1.0 1.9 4.9 304 301 B 97 GLN HGy B 97 GLN H 1.0 1.8 3.6 305 302 B 98 GLU HBx B 97 GLN H 1.0 0.0 6.0 306 303 B 51 VAL H B 52 SER H 1.0 1.8 3.6 307 304 B 48 ARG HA B 51 VAL H 1.0 1.9 4.1 308 305 B 39 THR HG1 B 38 ALA H 1.0 1.9 5.3 309 306 B 32 VAL H B 31 LEU H 1.0 1.9 4.1 310 307 B 32 VAL H B 5 LEU H 1.0 0.0 6.0 311 308 B 32 VAL H B 28 ARG HA 1.0 1.9 4.3 312 309 B 28 ARG HBy B 32 VAL H 1.0 0.0 6.0 313 310 B 62 PHE H B 63 GLU HBy 1.0 2.0 5.0 314 311 B 57 ARG H B 57 ARG HGx 1.0 2.0 5.4 315 312 B 57 ARG H B 57 ARG HBy 1.0 1.8 3.4 316 313 B 57 ARG H B 57 ARG HBx 1.0 1.8 3.4 317 314 B 57 ARG H B 56 HIS HA 1.0 2.0 4.4 318 315 B 57 ARG H B 54 ALA HA 1.0 1.9 4.1 319 316 B 57 ARG H B 57 ARG HA 1.0 1.8 3.4 320 317 B 57 ARG H B 53 GLN H 1.0 0.0 6.0 321 318 B 57 ARG H B 58 VAL H 1.0 1.8 3.8 322 319 B 66 ASN H B 66 ASN HD2x 1.0 2.0 4.6 323 320 B 66 ASN H B 66 ASN HA 1.0 1.7 3.5 324 321 B 66 ASN H B 66 ASN HBy 1.0 1.8 3.8 325 322 B 66 ASN H B 66 ASN HBx 1.0 1.8 3.6 326 323 B 66 ASN H B 65 LYS HGx 1.0 2.0 5.0 327 324 B 44 LEU H B 44 LEU HBy 1.0 0.0 6.0 328 325 B 44 LEU H B 44 LEU HBx 1.0 1.8 3.6 329 326 B 46 LEU H B 44 LEU H 1.0 1.9 4.7 330 327 B 63 GLU HBy B 64 ASP H 1.0 1.9 4.1 331 328 B 64 ASP H B 63 GLU HBx 1.0 2.0 4.6 332 329 B 66 ASN HA B 65 LYS H 1.0 2.0 5.4 333 330 B 66 ASN HBx B 65 LYS H 1.0 2.0 5.4 334 331 B 65 LYS H B 65 LYS HBy 1.0 1.8 3.6 335 332 B 65 LYS H B 65 LYS HBx 1.0 1.7 3.5 336 333 B 65 LYS HGx B 65 LYS H 1.0 0.0 6.0 337 334 B 56 HIS HA B 58 VAL H 1.0 2.0 5.4 338 335 B 54 ALA HA B 58 VAL H 1.0 1.9 5.1 339 336 B 58 VAL HA B 58 VAL H 1.0 1.8 4.0 340 337 B 58 VAL H B 55 VAL HA 1.0 2.0 5.0 341 338 B 58 VAL H B 56 HIS HBx 1.0 0.0 6.0 342 339 B 57 ARG HGx B 58 VAL H 1.0 1.9 4.7 343 340 B 87 ARG H B 86 VAL HB 1.0 1.9 4.3 344 341 B 87 ARG H B 87 ARG HBy 1.0 1.8 3.4 345 342 B 87 ARG H B 85 ILE HB 1.0 0.0 6.0 346 343 B 56 HIS H B 53 GLN HA 1.0 1.9 4.1 347 344 B 4 ARG HGx B 33 ASP H 1.0 2.0 5.4 348 345 B 43 SER H B 43 SER HBx 1.0 1.7 3.1 349 346 B 42 THR HG1 B 43 SER H 1.0 0.0 6.0 350 347 B 11 GLN H B 10 PHE HBy 1.0 1.9 4.5 351 348 B 11 GLN H B 10 PHE HBx 1.0 1.9 4.1 352 349 B 84 TYR H B 84 TYR HBx 1.0 1.8 3.6 353 350 B 84 TYR H B 84 TYR HBy 1.0 1.8 3.6 354 351 B 84 TYR H B 81 HIS HA 1.0 1.9 4.9 355 352 B 84 TYR H B 84 TYR HA 1.0 1.8 3.8 356 353 B 84 TYR H B 83 ALA HA 1.0 1.9 4.5 357 354 B 83 ALA H B 84 TYR H 1.0 1.9 4.1 358 355 B 87 ARG H B 84 TYR H 1.0 0.0 6.0 359 356 B 84 TYR H B 85 ILE H 1.0 1.9 4.5 360 357 B 99 THR H B 98 GLU HBy 1.0 1.9 4.3 361 358 B 99 THR H B 100 LYS H 1.0 1.9 3.9 362 359 B 100 LYS H B 99 THR HB 1.0 1.9 4.1 363 360 B 49 GLY H B 52 SER HBx 1.0 2.0 6.0 364 361 B 58 VAL HA B 57 ARG H 1.0 2.0 6.0 365 362 B 64 ASP H B 63 GLU H 1.0 1.9 4.1 366 363 B 74 VAL H B 75 THR H 1.0 2.0 5.2 367 364 B 54 ALA HA B 54 ALA H 1.0 1.8 3.4 368 365 B 52 SER HBx B 54 ALA H 1.0 0.0 6.0 369 366 B 54 ALA H B 51 VAL HA 1.0 1.9 4.5 370 367 B 53 GLN HGy B 54 ALA H 1.0 2.0 5.8 371 368 B 53 GLN HGx B 54 ALA H 1.0 2.0 5.6 372 369 B 54 ALA H B 53 GLN HBy 1.0 1.8 3.6 373 370 B 88 LYS H B 89 TRP HBy 1.0 0.0 6.0 374 371 B 88 LYS H B 88 LYS HBy 1.0 1.8 3.6 375 372 B 19 VAL H B 19 VAL HA 1.0 1.7 3.5 376 373 B 23 THR H B 23 THR HB 1.0 1.7 3.3 377 374 B 23 THR H B 21 GLN HA 1.0 2.0 5.4 378 375 B 23 THR H B 23 THR HA 1.0 1.8 3.8 379 376 B 94 LYS H B 94 LYS HA 1.0 1.8 3.4 380 377 B 78 LEU H A 72 ALA H 1.0 1.9 5.1 381 378 B 10 PHE HBx B 10 PHE H 1.0 1.7 3.3 382 379 B 60 ALA H B 59 TRP HE3 1.0 2.0 5.8 383 380 B 87 ARG H B 85 ILE H 1.0 2.0 6.0 384 381 B 91 ALA H B 88 LYS H 1.0 2.0 6.0 385 382 B 93 ALA H B 94 LYS H 1.0 1.8 3.6 386 383 B 93 ALA H B 95 LYS H 1.0 1.9 4.3 387 384 B 6 THR H B 6 THR HB 1.0 2.0 5.0 388 385 B 11 GLN H B 10 PHE HA 1.0 1.9 4.3 389 386 B 15 GLN H B 15 GLN HA 1.0 1.8 3.6 390 387 B 33 ASP H B 34 GLY HAy 1.0 1.9 4.9 391 388 B 32 VAL H B 33 ASP HBy 1.0 2.0 6.0 392 389 B 42 THR HB B 43 SER H 1.0 1.8 3.4 393 390 B 43 SER HA B 43 SER H 1.0 1.7 3.3 394 391 B 46 LEU H B 45 GLY HAy 1.0 0.0 6.0 395 392 B 50 ALA HA B 47 THR H 1.0 2.0 5.8 396 393 B 54 ALA HA B 59 TRP H 1.0 0.0 6.0 397 394 B 61 ALA H B 62 PHE HBy 1.0 2.0 5.8 398 395 B 69 GLU HBx B 71 TYR H 1.0 0.0 6.0 399 396 B 75 THR H B 75 THR HB 1.0 1.8 3.8 400 397 B 75 THR H B 74 VAL HA 1.0 1.6 3.0 401 398 B 75 THR H B 75 THR HA 1.0 1.9 4.5 402 399 B 75 THR H B 74 VAL HB 1.0 1.8 4.0 403 400 B 75 THR H B 75 THR HG1 1.0 1.9 3.9 404 401 B 58 VAL HA B 59 TRP H 1.0 2.0 5.0 405 402 B 59 TRP H B 59 TRP HBy 1.0 1.9 5.1 406 403 B 59 TRP H B 58 VAL HB 1.0 1.8 4.0 407 404 B 56 HIS HA B 59 TRP H 1.0 1.9 4.5 408 405 B 11 GLN H B 14 ILE HG1x 1.0 2.0 5.8 409 406 B 90 GLU HBy B 90 GLU H 1.0 1.8 4.0 410 407 B 88 LYS HBy B 89 TRP H 1.0 1.9 4.1 411 408 B 63 GLU HBy B 59 TRP HE1 1.0 0.0 6.0 412 409 B 100 LYS H B 99 THR HG1 1.0 0.0 6.0 413 410 B 66 ASN H B 66 ASN HD2y 1.0 2.0 5.4 414 411 B 26 ILE H B 22 GLN HA 1.0 2.0 5.2 415 412 B 94 LYS HBx B 94 LYS H 1.0 1.6 3.0 416 413 B 92 ASP HBx B 94 LYS H 1.0 2.0 5.8 417 414 B 30 VAL H B 27 ALA HA 1.0 1.9 3.9 418 415 B 66 ASN HD2x B 66 ASN HBy 1.0 1.9 4.3 419 416 B 66 ASN HD2x B 66 ASN HA 1.0 2.0 5.4 420 417 B 66 ASN HA B 66 ASN HD2y 1.0 2.0 5.6 421 418 B 4 ARG HE B 4 ARG HDx 1.0 2.0 6.0 422 419 B 4 ARG HE B 4 ARG HBx 1.0 2.0 6.0 423 419 B 4 ARG HE B 4 ARG HGy 1.0 2.0 6.0 424 420 B 81 HIS H B 80 GLU HBy 1.0 2.0 5.8 425 421 B 5 LEU H B 31 LEU HA 1.0 2.0 4.6 426 422 B 5 LEU H B 4 ARG HDx 1.0 2.0 6.0 427 423 B 96 LYS H B 95 LYS HEx 1.0 2.0 6.0 428 424 B 62 PHE H B 60 ALA H 1.0 2.0 6.0 429 425 B 82 GLN H B 81 HIS H 1.0 2.0 6.0 430 426 B 58 VAL HA B 60 ALA H 1.0 2.0 5.8 431 427 A 15 GLN H A 14 ILE HA 1.0 0.0 6.0 432 428 A 15 GLN H A 17 LEU H 1.0 1.9 5.3 433 429 A 101 ARG H A 101 ARG HGx 1.0 1.9 4.3 434 429 A 101 ARG H A 101 ARG HGy 1.0 1.9 4.3 435 430 A 101 ARG H A 101 ARG HGy 1.0 1.9 3.7 436 431 A 101 ARG H A 100 LYS HBy 1.0 1.9 4.5 437 432 A 101 ARG H A 101 ARG HA 1.0 1.8 3.8 438 433 A 101 ARG H A 100 LYS HA 1.0 1.6 2.8 439 434 A 100 LYS H A 101 ARG H 1.0 2.0 4.8 440 435 A 18 GLU H A 17 LEU HA 1.0 1.7 3.3 441 436 A 18 GLU H A 18 GLU HA 1.0 1.8 3.8 442 437 A 18 GLU H A 18 GLU HG3 1.0 1.9 4.1 443 438 A 18 GLU H A 18 GLU HB3 1.0 1.8 3.8 444 439 A 18 GLU H A 17 LEU HBx 1.0 1.9 4.3 445 440 A 50 ALA H A 52 SER H 1.0 1.9 5.1 446 441 A 50 ALA H A 51 VAL H 1.0 1.8 3.8 447 442 A 50 ALA H A 49 GLY HA3 1.0 1.8 3.8 448 443 A 3 LYS H A 2 LYS HA 1.0 1.6 3.0 449 444 A 3 LYS H A 3 LYS HA 1.0 1.9 4.1 450 445 A 3 LYS H A 2 LYS HBx 1.0 1.9 4.1 451 446 A 3 LYS H A 2 LYS HGy 1.0 2.0 5.4 452 447 A 3 LYS H A 3 LYS HBy 1.0 1.9 3.9 453 448 A 3 LYS H A 3 LYS HBx 1.0 1.9 4.3 454 449 A 3 LYS H A 3 LYS HD3 1.0 0.0 6.0 455 450 A 3 LYS H A 3 LYS HG2 1.0 1.9 4.7 456 451 A 15 GLN H A 14 ILE HG1y 1.0 1.9 4.3 457 452 A 15 GLN H A 14 ILE HG1x 1.0 1.9 4.1 458 453 A 15 GLN H A 15 GLN HGy 1.0 0.0 6.0 459 454 A 15 GLN H A 15 GLN HBx 1.0 1.7 2.9 460 455 A 15 GLN H A 14 ILE HB 1.0 1.9 4.7 461 456 A 15 GLN H A 14 ILE H 1.0 1.8 3.4 462 457 A 15 GLN H A 16 GLY H 1.0 1.9 5.1 463 458 A 37 GLN H A 36 PRO HA 1.0 1.8 3.8 464 459 A 67 LEU H A 66 ASN H 1.0 1.9 4.1 465 460 A 67 LEU H A 66 ASN HA 1.0 1.7 3.3 466 461 A 67 LEU H A 64 ASP HA 1.0 2.0 5.4 467 462 A 67 LEU H A 66 ASN HBy 1.0 1.9 4.9 468 463 A 67 LEU H A 66 ASN HBx 1.0 2.0 5.0 469 464 A 67 LEU H A 65 LYS HA 1.0 2.0 5.8 470 465 A 67 LEU H A 67 LEU HA 1.0 1.9 4.1 471 466 A 14 ILE H A 13 ALA H 1.0 1.9 3.9 472 467 A 14 ILE H A 14 ILE HA 1.0 1.9 3.9 473 468 A 14 ILE H A 12 GLU HBx 1.0 0.0 6.0 474 469 A 14 ILE H A 14 ILE HB 1.0 1.9 4.3 475 470 A 14 ILE H A 14 ILE HG1y 1.0 1.8 3.6 476 471 A 14 ILE H A 14 ILE HG1x 1.0 1.8 3.6 477 472 A 34 GLY H A 32 VAL H 1.0 1.9 4.7 478 473 A 34 GLY H A 32 VAL HA 1.0 2.0 5.2 479 474 A 34 GLY H A 33 ASP HA 1.0 1.9 4.3 480 475 A 34 GLY H A 35 LYS HA 1.0 0.0 6.0 481 476 A 34 GLY H A 33 ASP H 1.0 1.9 3.9 482 477 A 34 GLY H A 35 LYS H 1.0 1.8 3.6 483 478 A 34 GLY H A 33 ASP HBy 1.0 1.9 4.5 484 479 A 34 GLY H A 33 ASP HBx 1.0 2.0 4.8 485 480 A 29 GLY H A 29 GLY HAx 1.0 1.8 3.6 486 481 A 29 GLY H A 28 ARG HB3 1.0 1.9 3.9 487 482 A 29 GLY H A 29 GLY HAy 1.0 1.8 3.6 488 483 A 29 GLY H A 28 ARG HA 1.0 1.9 4.7 489 484 A 29 GLY H A 26 ILE HA 1.0 1.9 5.3 490 485 A 47 THR H A 46 LEU HA 1.0 1.7 3.3 491 486 A 47 THR H A 47 THR HA 1.0 1.8 4.0 492 487 A 47 THR H A 46 LEU HBy 1.0 1.8 3.6 493 488 A 47 THR H A 46 LEU HBx 1.0 0.0 6.0 494 489 A 20 GLY H A 19 VAL H 1.0 1.9 4.3 495 490 A 45 GLY H A 46 LEU HA 1.0 2.0 5.0 496 491 A 20 GLY H A 19 VAL HA 1.0 1.7 3.1 497 492 A 20 GLY H A 18 GLU HA 1.0 0.0 6.0 498 493 A 20 GLY H A 20 GLY HAy 1.0 1.8 3.6 499 494 A 20 GLY H A 20 GLY HAx 1.0 1.8 3.4 500 495 A 20 GLY H A 19 VAL HB 1.0 1.8 3.6 501 496 A 45 GLY H A 43 SER H 1.0 2.0 5.4 502 497 A 45 GLY H A 44 LEU HA 1.0 1.9 4.1 503 498 A 45 GLY H A 45 GLY HAy 1.0 1.6 2.8 504 499 A 45 GLY H A 44 LEU HBy 1.0 1.9 4.3 505 500 A 45 GLY H A 44 LEU HBx 1.0 1.9 4.1 506 501 A 45 GLY H A 46 LEU HBx 1.0 1.9 4.9 507 502 A 39 THR H A 38 ALA H 1.0 1.9 4.5 508 503 A 39 THR H A 41 ALA H 1.0 2.0 5.0 509 504 A 39 THR H A 38 ALA HA 1.0 1.9 4.3 510 505 A 39 THR H A 39 THR HA 1.0 1.8 3.4 511 506 A 39 THR H A 39 THR HB 1.0 1.8 3.4 512 507 A 39 THR H A 40 PHE HBy 1.0 0.0 6.0 513 508 A 6 THR H A 5 LEU HA 1.0 1.7 3.5 514 509 A 6 THR H A 9 GLN HA 1.0 0.0 6.0 515 510 A 42 THR H A 41 ALA H 1.0 1.8 3.4 516 511 A 42 THR H A 40 PHE HA 1.0 2.0 5.2 517 512 A 42 THR H A 42 THR HB 1.0 1.7 3.1 518 513 A 42 THR H A 42 THR HA 1.0 1.7 3.1 519 514 A 42 THR H A 41 ALA HA 1.0 1.8 3.8 520 515 A 70 GLY H A 69 GLU H 1.0 2.0 5.0 521 516 A 70 GLY H A 71 TYR H 1.0 1.9 3.9 522 517 A 70 GLY H A 69 GLU HA 1.0 1.7 3.1 523 518 A 70 GLY H A 69 GLU HBx 1.0 1.9 4.3 524 518 A 70 GLY H A 69 GLU HBy 1.0 1.9 4.3 525 519 A 8 SER H A 7 GLU H 1.0 1.9 3.9 526 520 A 8 SER H A 9 GLN H 1.0 1.9 4.1 527 521 A 8 SER H A 6 THR HB 1.0 1.8 3.6 528 522 A 8 SER H A 8 SER HA 1.0 1.7 3.5 529 523 A 8 SER H A 7 GLU HA 1.0 1.9 4.3 530 524 A 8 SER H A 8 SER HB3 1.0 0.0 6.0 531 525 A 8 SER H A 7 GLU HBy 1.0 1.8 3.8 532 526 A 8 SER H A 7 GLU HBx 1.0 0.0 6.0 533 527 A 83 ALA H A 82 GLN H 1.0 1.9 4.1 534 528 A 83 ALA H A 83 ALA HA 1.0 1.8 3.8 535 529 A 77 VAL H A 76 ALA HA 1.0 1.7 3.3 536 530 A 77 VAL H A 77 VAL HA 1.0 2.0 4.8 537 531 A 77 VAL HB A 77 VAL H 1.0 1.8 3.6 538 532 A 91 ALA H A 90 GLU H 1.0 1.9 3.9 539 533 A 91 ALA H A 92 ASP H 1.0 1.9 3.9 540 534 A 91 ALA H A 93 ALA H 1.0 2.0 4.8 541 535 A 91 ALA H A 91 ALA HA 1.0 1.8 3.6 542 536 A 9 GLN H A 6 THR HB 1.0 1.9 4.3 543 537 A 9 GLN H A 8 SER HA 1.0 1.9 4.7 544 538 A 9 GLN H A 9 GLN HA 1.0 1.9 3.9 545 539 A 9 GLN H A 8 SER HB3 1.0 1.9 4.1 546 540 A 9 GLN H A 10 PHE H 1.0 1.8 4.2 547 541 A 6 THR H A 9 GLN H 1.0 1.9 5.1 548 542 A 35 LYS H A 33 ASP HBx 1.0 2.0 5.2 549 543 A 35 LYS H A 35 LYS HA 1.0 1.8 3.4 550 544 A 73 ARG H A 73 ARG HBx 1.0 1.9 4.1 551 545 A 73 ARG H A 73 ARG HA 1.0 1.9 4.5 552 546 A 73 ARG H A 72 ALA HA 1.0 1.7 3.1 553 547 A 74 VAL H A 73 ARG H 1.0 2.0 5.4 554 548 A 93 ALA H A 92 ASP H 1.0 1.8 3.8 555 549 A 93 ALA H A 92 ASP HA 1.0 1.9 4.1 556 550 A 93 ALA H A 93 ALA HA 1.0 1.7 3.5 557 551 A 4 ARG H A 3 LYS HBy 1.0 1.9 4.7 558 552 A 4 ARG H A 3 LYS HBx 1.0 1.9 4.3 559 553 A 4 ARG H A 3 LYS HG2 1.0 1.9 5.1 560 554 A 4 ARG H A 4 ARG HBy 1.0 1.9 4.1 561 555 A 4 ARG H A 4 ARG HBx 1.0 1.9 3.7 562 556 A 4 ARG HGx A 4 ARG H 1.0 1.9 4.3 563 557 A 4 ARG H A 4 ARG HA 1.0 1.9 3.9 564 558 A 4 ARG H A 3 LYS HA 1.0 1.6 2.8 565 559 A 4 ARG H A 4 ARG HE 1.0 0.0 6.0 566 560 A 4 ARG H A 3 LYS HD3 1.0 1.9 5.1 567 561 A 7 GLU H A 6 THR HB 1.0 1.8 3.4 568 562 A 7 GLU H A 7 GLU HA 1.0 1.8 3.8 569 563 A 7 GLU HGy A 7 GLU H 1.0 1.9 4.7 570 563 A 7 GLU H A 7 GLU HGx 1.0 1.9 4.7 571 564 A 7 GLU H A 7 GLU HGx 1.0 1.9 4.5 572 565 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.6 573 566 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.6 574 567 A 6 THR HG1 A 7 GLU H 1.0 0.0 6.0 575 568 A 13 ALA H A 12 GLU HBy 1.0 1.8 3.4 576 569 A 13 ALA H A 12 GLU HBx 1.0 1.8 3.6 577 570 A 13 ALA H A 9 GLN HA 1.0 2.0 5.0 578 571 A 13 ALA H A 12 GLU HA 1.0 1.8 4.0 579 572 A 13 ALA HA A 13 ALA H 1.0 1.8 3.4 580 573 A 13 ALA H A 10 PHE HA 1.0 1.9 4.3 581 574 A 13 ALA H A 12 GLU H 1.0 1.8 3.4 582 575 A 15 GLN H A 13 ALA H 1.0 2.0 5.2 583 576 A 13 ALA H A 11 GLN H 1.0 2.0 5.4 584 577 A 41 ALA H A 40 PHE HBx 1.0 1.8 3.8 585 578 A 41 ALA H A 42 THR HA 1.0 0.0 6.0 586 579 A 41 ALA H A 41 ALA HA 1.0 1.8 3.6 587 580 A 41 ALA H A 40 PHE HA 1.0 1.9 4.5 588 581 A 16 GLY H A 17 LEU H 1.0 1.8 3.8 589 582 A 17 LEU H A 18 GLU H 1.0 1.9 4.7 590 583 A 17 LEU H A 17 LEU HA 1.0 1.8 3.4 591 584 A 17 LEU H A 16 GLY HAy 1.0 1.8 3.4 592 585 A 17 LEU H A 16 GLY HAx 1.0 1.9 4.1 593 586 A 17 LEU H A 15 GLN HBx 1.0 2.0 5.4 594 587 A 17 LEU H A 14 ILE HB 1.0 2.0 5.2 595 588 A 17 LEU H A 17 LEU HBy 1.0 1.7 3.3 596 589 A 17 LEU H A 17 LEU HBx 1.0 0.0 6.0 597 590 A 42 THR H A 40 PHE H 1.0 2.0 5.2 598 591 A 41 ALA H A 40 PHE H 1.0 1.8 3.4 599 592 A 40 PHE H A 40 PHE HA 1.0 1.9 3.7 600 593 A 40 PHE H A 38 ALA HA 1.0 2.0 4.8 601 594 A 40 PHE H A 39 THR HA 1.0 1.9 4.1 602 595 A 40 PHE H A 39 THR HB 1.0 1.8 3.8 603 596 A 40 PHE H A 40 PHE HBy 1.0 1.7 3.1 604 597 A 98 GLU H A 98 GLU HA 1.0 1.7 3.1 605 598 A 98 GLU H A 96 LYS H 1.0 1.9 4.7 606 599 A 96 LYS H A 95 LYS H 1.0 1.8 3.6 607 600 A 96 LYS H A 95 LYS HBy 1.0 0.0 6.0 608 601 A 96 LYS H A 95 LYS HBx 1.0 1.8 4.0 609 602 A 96 LYS H A 95 LYS HGy 1.0 0.0 6.0 610 603 A 96 LYS H A 95 LYS HGx 1.0 0.0 6.0 611 604 A 24 ILE H A 24 ILE HB 1.0 1.7 3.5 612 605 A 24 ILE HG1x A 24 ILE H 1.0 1.8 3.8 613 606 A 23 THR HG1 A 24 ILE H 1.0 1.9 4.3 614 607 A 23 THR HB A 24 ILE H 1.0 1.8 4.0 615 608 A 22 GLN HA A 24 ILE H 1.0 2.0 5.4 616 609 A 21 GLN HA A 24 ILE H 1.0 1.8 4.2 617 610 A 23 THR HA A 24 ILE H 1.0 2.0 5.2 618 611 A 24 ILE H A 24 ILE HA 1.0 1.8 4.0 619 612 A 25 GLU H A 24 ILE H 1.0 1.9 3.9 620 613 A 23 THR H A 24 ILE H 1.0 1.9 3.9 621 614 A 89 TRP HA A 92 ASP H 1.0 1.9 4.7 622 615 A 92 ASP HA A 92 ASP H 1.0 1.7 3.5 623 616 A 91 ALA HA A 92 ASP H 1.0 1.9 4.3 624 617 A 92 ASP H A 90 GLU HA 1.0 1.9 4.5 625 618 A 28 ARG H A 28 ARG HA 1.0 1.8 4.0 626 619 A 28 ARG H A 27 ALA HA 1.0 2.0 4.8 627 620 A 29 GLY H A 28 ARG H 1.0 1.9 3.9 628 621 A 28 ARG H A 27 ALA H 1.0 1.9 4.1 629 622 A 92 ASP HA A 95 LYS H 1.0 1.9 4.3 630 623 A 95 LYS H A 95 LYS HA 1.0 1.6 3.0 631 624 A 95 LYS H A 94 LYS H 1.0 1.7 3.1 632 625 A 21 GLN H A 22 GLN HB3 1.0 0.0 6.0 633 626 A 21 GLN H A 20 GLY HAy 1.0 1.7 3.3 634 627 A 21 GLN H A 20 GLY HAx 1.0 1.7 3.3 635 628 A 21 GLN H A 21 GLN HA 1.0 1.8 3.4 636 629 A 25 GLU H A 24 ILE HB 1.0 1.7 3.1 637 630 A 25 GLU H A 25 GLU HA 1.0 1.8 3.4 638 631 A 25 GLU H A 24 ILE HA 1.0 2.0 4.6 639 632 A 25 GLU H A 26 ILE H 1.0 1.8 4.0 640 633 A 25 GLU H A 23 THR H 1.0 1.9 5.3 641 634 A 97 GLN H A 97 GLN HBy 1.0 0.0 6.0 642 635 A 95 LYS HBy A 97 GLN H 1.0 0.0 6.0 643 636 A 97 GLN H A 96 LYS HD3 1.0 0.0 6.0 644 637 A 97 GLN H A 95 LYS HGx 1.0 0.0 6.0 645 638 A 50 ALA HA A 51 VAL H 1.0 1.9 4.3 646 639 A 51 VAL H A 52 SER HBx 1.0 0.0 6.0 647 640 A 51 VAL H A 51 VAL HA 1.0 1.8 3.8 648 641 A 26 ILE HG1y A 27 ALA H 1.0 2.0 4.8 649 642 A 27 ALA H A 26 ILE HB 1.0 1.8 3.4 650 643 A 27 ALA H A 26 ILE HA 1.0 1.9 4.7 651 644 A 27 ALA H A 27 ALA HA 1.0 1.8 3.8 652 645 A 27 ALA H A 24 ILE HA 1.0 2.0 5.0 653 646 A 38 ALA H A 37 GLN HBy 1.0 1.9 4.7 654 647 A 37 GLN HBx A 38 ALA H 1.0 1.8 4.0 655 648 A 38 ALA H A 38 ALA HA 1.0 1.8 3.6 656 649 A 38 ALA H A 37 GLN HA 1.0 2.0 5.0 657 650 A 60 ALA H A 59 TRP HBy 1.0 1.8 3.6 658 651 A 60 ALA H A 59 TRP HBx 1.0 0.0 6.0 659 652 A 80 GLU H A 79 PRO HB3 1.0 0.0 6.0 660 653 A 81 HIS HA A 80 GLU H 1.0 0.0 6.0 661 654 A 32 VAL H A 32 VAL HA 1.0 1.8 4.0 662 655 A 32 VAL H A 31 LEU HA 1.0 2.0 5.0 663 656 A 32 VAL H A 32 VAL HB 1.0 1.8 3.6 664 657 A 32 VAL H A 31 LEU HBx 1.0 2.0 4.8 665 658 A 62 PHE H A 62 PHE HBy 1.0 1.8 3.8 666 659 A 62 PHE HBx A 62 PHE H 1.0 1.8 3.8 667 660 A 61 ALA HA A 62 PHE H 1.0 1.9 4.3 668 661 A 62 PHE H A 62 PHE HA 1.0 1.8 3.8 669 662 A 62 PHE H A 63 GLU H 1.0 1.9 3.9 670 663 A 85 ILE H A 86 VAL H 1.0 1.9 4.5 671 664 A 86 VAL HB A 86 VAL H 1.0 1.8 4.0 672 665 A 85 ILE HB A 86 VAL H 1.0 1.9 4.1 673 666 A 83 ALA HA A 86 VAL H 1.0 2.0 4.8 674 667 A 86 VAL H A 85 ILE HA 1.0 1.8 4.2 675 668 A 87 ARG H A 86 VAL H 1.0 2.0 4.4 676 669 A 82 GLN H A 82 GLN HA 1.0 2.0 4.4 677 670 A 82 GLN H A 81 HIS HA 1.0 2.0 5.4 678 671 A 66 ASN H A 65 LYS H 1.0 1.8 3.6 679 672 A 66 ASN H A 64 ASP HA 1.0 2.0 5.0 680 673 A 66 ASN H A 65 LYS HBy 1.0 1.9 4.5 681 674 A 66 ASN H A 65 LYS HBx 1.0 1.8 4.2 682 675 A 66 ASN H A 63 GLU HA 1.0 1.9 4.9 683 676 A 66 ASN H A 65 LYS HA 1.0 1.8 4.0 684 677 A 44 LEU H A 40 PHE HA 1.0 2.0 5.0 685 678 A 43 SER HA A 44 LEU H 1.0 1.9 4.1 686 679 A 44 LEU H A 44 LEU HA 1.0 1.8 3.6 687 680 A 64 ASP H A 64 ASP HA 1.0 1.8 3.8 688 681 A 61 ALA HA A 64 ASP H 1.0 1.9 4.5 689 682 A 64 ASP H A 62 PHE HA 1.0 2.0 5.2 690 683 A 64 ASP H A 63 GLU HA 1.0 1.9 4.7 691 684 A 12 GLU H A 11 GLN HG2 1.0 2.0 4.8 692 685 A 12 GLU H A 12 GLU HG3 1.0 1.8 3.8 693 686 A 12 GLU HBy A 12 GLU H 1.0 0.0 6.0 694 687 A 12 GLU HBx A 12 GLU H 1.0 1.7 3.3 695 688 A 8 SER HA A 12 GLU H 1.0 2.0 5.2 696 689 A 9 GLN HA A 12 GLU H 1.0 1.9 4.5 697 690 A 12 GLU HA A 12 GLU H 1.0 1.8 3.4 698 691 A 13 ALA HA A 12 GLU H 1.0 2.0 5.2 699 692 A 12 GLU H A 11 GLN HA 1.0 1.9 4.3 700 693 A 11 GLN H A 12 GLU H 1.0 1.8 3.8 701 694 A 64 ASP H A 65 LYS H 1.0 1.9 4.1 702 695 A 65 LYS H A 64 ASP HA 1.0 1.9 4.1 703 696 A 65 LYS H A 65 LYS HA 1.0 1.7 3.5 704 697 A 65 LYS H A 62 PHE HA 1.0 2.0 5.0 705 698 A 65 LYS H A 63 GLU HA 1.0 2.0 5.2 706 699 A 57 ARG HA A 58 VAL H 1.0 1.9 4.5 707 700 A 57 ARG HBy A 58 VAL H 1.0 1.9 4.5 708 701 A 57 ARG HBx A 58 VAL H 1.0 0.0 6.0 709 702 A 87 ARG H A 86 VAL HA 1.0 1.9 4.5 710 703 A 87 ARG H A 87 ARG HA 1.0 1.9 3.9 711 704 A 56 HIS HA A 56 HIS H 1.0 1.8 3.8 712 705 A 55 VAL HA A 56 HIS H 1.0 0.0 6.0 713 706 A 57 ARG H A 56 HIS H 1.0 1.8 4.0 714 707 A 56 HIS H A 55 VAL H 1.0 1.9 3.9 715 708 A 56 HIS H A 54 ALA H 1.0 2.0 5.4 716 709 A 58 VAL H A 56 HIS H 1.0 1.9 4.9 717 710 A 32 VAL H A 33 ASP H 1.0 1.7 3.5 718 711 A 33 ASP H A 32 VAL HA 1.0 1.9 4.5 719 712 A 33 ASP H A 33 ASP HA 1.0 1.8 3.8 720 713 A 33 ASP H A 34 GLY HAx 1.0 1.9 4.7 721 714 A 33 ASP H A 33 ASP HBy 1.0 2.0 4.8 722 715 A 33 ASP H A 33 ASP HBx 1.0 1.9 3.9 723 716 A 33 ASP H A 32 VAL HB 1.0 1.8 3.6 724 717 A 42 THR H A 43 SER H 1.0 1.8 3.6 725 718 A 44 LEU H A 43 SER H 1.0 1.8 3.6 726 719 A 43 SER H A 44 LEU HA 1.0 0.0 6.0 727 720 A 43 SER H A 40 PHE HA 1.0 1.9 4.1 728 721 A 43 SER H A 42 THR HA 1.0 1.9 3.9 729 722 A 31 LEU H A 31 LEU HA 1.0 1.9 4.3 730 723 A 31 LEU H A 30 VAL HB 1.0 1.9 4.1 731 724 A 11 GLN H A 11 GLN HG2 1.0 1.8 3.8 732 725 A 11 GLN H A 11 GLN HBy 1.0 1.7 3.3 733 726 A 11 GLN H A 10 PHE H 1.0 1.9 4.3 734 727 A 11 GLN H A 8 SER HA 1.0 1.9 4.5 735 728 A 11 GLN H A 12 GLU HA 1.0 0.0 6.0 736 729 A 11 GLN H A 11 GLN HA 1.0 1.8 3.8 737 730 A 54 ALA HA A 55 VAL H 1.0 1.9 4.5 738 731 A 55 VAL HA A 55 VAL H 1.0 1.9 3.9 739 732 A 55 VAL H A 55 VAL HB 1.0 1.8 3.4 740 733 A 99 THR H A 99 THR HA 1.0 1.7 2.9 741 734 A 99 THR H A 99 THR HB 1.0 0.0 6.0 742 735 A 98 GLU HBx A 99 THR H 1.0 1.9 4.3 743 736 A 99 THR H A 99 THR HG1 1.0 1.8 3.8 744 737 A 52 SER H A 54 ALA H 1.0 2.0 5.4 745 738 A 52 SER H A 52 SER HBy 1.0 1.7 3.5 746 739 A 52 SER H A 52 SER HBx 1.0 1.6 3.0 747 740 A 52 SER H A 51 VAL HA 1.0 1.9 4.5 748 741 A 52 SER H A 51 VAL HB 1.0 1.8 3.6 749 742 A 16 GLY H A 16 GLY HAx 1.0 1.8 3.8 750 743 A 15 GLN HGy A 16 GLY H 1.0 1.9 4.7 751 744 A 16 GLY H A 15 GLN HBx 1.0 1.9 4.5 752 745 A 77 VAL H A 76 ALA H 1.0 2.0 5.6 753 746 A 14 ILE H A 12 GLU H 1.0 2.0 5.6 754 747 A 100 LYS H A 100 LYS HA 1.0 1.6 3.0 755 748 A 34 GLY H A 34 GLY HAy 1.0 1.7 3.3 756 749 A 34 GLY H A 34 GLY HAx 1.0 1.7 3.3 757 750 A 47 THR H A 49 GLY H 1.0 2.0 5.6 758 751 A 47 THR HA A 49 GLY H 1.0 2.0 5.8 759 752 A 48 ARG HA A 49 GLY H 1.0 1.9 4.3 760 753 A 48 ARG HBy A 49 GLY H 1.0 2.0 5.6 761 753 A 49 GLY H A 48 ARG HBx 1.0 2.0 5.6 762 754 A 45 GLY H A 45 GLY HAx 1.0 0.0 6.0 763 755 A 6 THR H A 10 PHE H 1.0 2.0 5.6 764 756 A 53 GLN H A 54 ALA H 1.0 1.8 3.6 765 757 A 84 TYR HA A 85 ILE H 1.0 1.9 5.1 766 758 A 85 ILE H A 85 ILE HA 1.0 1.9 4.1 767 759 A 84 TYR HBy A 85 ILE H 1.0 2.0 4.6 768 760 A 84 TYR HBx A 85 ILE H 1.0 1.9 4.5 769 761 A 86 VAL HB A 85 ILE H 1.0 2.0 5.8 770 762 A 85 ILE HB A 85 ILE H 1.0 1.8 3.6 771 763 A 8 SER H A 10 PHE H 1.0 1.9 4.1 772 764 A 58 VAL H A 59 TRP H 1.0 1.8 3.6 773 765 A 71 TYR H A 72 ALA H 1.0 2.0 4.8 774 766 A 6 THR H A 7 GLU H 1.0 2.0 6.0 775 767 A 88 LYS H A 89 TRP H 1.0 1.9 4.1 776 768 A 72 ALA H A 73 ARG H 1.0 2.0 5.4 777 769 A 87 ARG H A 88 LYS H 1.0 1.9 4.1 778 770 A 54 ALA H A 55 VAL H 1.0 1.8 3.6 779 771 A 88 LYS H A 88 LYS HA 1.0 1.8 3.6 780 772 A 88 LYS H A 87 ARG HA 1.0 1.9 4.5 781 773 A 77 VAL H A 78 LEU HA 1.0 2.0 6.0 782 774 A 50 ALA H A 49 GLY H 1.0 2.0 5.8 783 775 A 19 VAL H A 18 GLU H 1.0 1.9 3.9 784 776 A 19 VAL H A 18 GLU HA 1.0 1.5 2.7 785 777 A 19 VAL HB A 19 VAL H 1.0 0.0 6.0 786 778 A 23 THR H A 22 GLN HB3 1.0 1.7 3.5 787 779 A 19 VAL H A 18 GLU HB3 1.0 1.9 4.3 788 780 A 19 VAL H A 17 LEU HBy 1.0 0.0 6.0 789 781 A 19 VAL H A 17 LEU HBx 1.0 0.0 6.0 790 782 A 23 THR H A 22 GLN HA 1.0 1.9 4.3 791 783 A 31 LEU H A 30 VAL H 1.0 1.9 3.9 792 784 A 29 GLY H A 30 VAL H 1.0 1.9 4.7 793 785 A 58 VAL H A 55 VAL H 1.0 2.0 5.8 794 786 A 29 GLY H A 33 ASP H 1.0 2.0 5.8 795 787 A 29 GLY H A 27 ALA H 1.0 2.0 5.8 796 788 A 4 ARG H A 3 LYS H 1.0 2.0 5.0 797 789 A 6 THR H A 8 SER H 1.0 1.9 6.0 798 790 A 9 GLN H A 7 GLU H 1.0 2.0 6.0 799 791 A 10 PHE H A 12 GLU H 1.0 2.0 6.0 800 792 A 10 PHE H A 10 PHE HA 1.0 1.8 4.0 801 793 A 10 PHE HBx A 10 PHE H 1.0 1.9 3.9 802 794 A 31 LEU H A 33 ASP H 1.0 2.0 5.6 803 795 A 35 LYS H A 33 ASP H 1.0 2.0 5.6 804 796 A 39 THR H A 40 PHE H 1.0 1.8 3.4 805 797 A 40 PHE H A 38 ALA H 1.0 2.0 6.0 806 798 A 41 ALA H A 43 SER H 1.0 2.0 5.6 807 799 A 48 ARG H A 49 GLY H 1.0 2.0 6.0 808 800 A 53 GLN H A 55 VAL H 1.0 1.9 4.9 809 801 A 60 ALA H A 57 ARG H 1.0 2.0 5.6 810 802 A 65 LYS H A 63 GLU H 1.0 2.0 5.6 811 803 A 61 ALA H A 63 GLU H 1.0 2.0 5.0 812 804 A 67 LEU H A 65 LYS H 1.0 2.0 6.0 813 805 A 66 ASN H A 64 ASP H 1.0 2.0 5.8 814 806 A 82 GLN H A 84 TYR H 1.0 2.0 5.6 815 807 A 6 THR H A 5 LEU H 1.0 2.0 5.4 816 808 A 4 ARG H A 5 LEU H 1.0 1.9 4.7 817 809 A 6 THR H A 5 LEU HBx 1.0 2.0 5.8 818 810 A 6 THR H A 5 LEU HBy 1.0 2.0 5.8 819 811 A 31 LEU H A 30 VAL HA 1.0 2.0 5.6 820 812 A 65 LYS H A 64 ASP HBx 1.0 1.9 4.3 821 813 A 65 LYS H A 64 ASP HBy 1.0 1.9 4.3 822 814 A 44 LEU H A 43 SER HBx 1.0 1.8 3.8 823 815 A 44 LEU H A 43 SER HBy 1.0 1.8 3.8 824 816 A 57 ARG H A 56 HIS HBy 1.0 1.8 3.6 825 816 A 57 ARG H A 56 HIS HBx 1.0 1.8 3.6 826 817 A 82 GLN H A 81 HIS HBy 1.0 1.9 5.5 827 818 A 82 GLN H A 81 HIS HBx 1.0 2.0 5.6 828 819 A 18 GLU H A 17 LEU HBy 1.0 1.9 4.5 829 820 A 28 ARG H A 24 ILE HA 1.0 2.0 5.8 830 821 A 35 LYS H A 34 GLY HAx 1.0 1.9 4.1 831 822 A 35 LYS H A 34 GLY HAy 1.0 1.9 4.1 832 823 A 39 THR H A 40 PHE HA 1.0 2.0 5.8 833 824 A 53 GLN H A 53 GLN HA 1.0 1.7 3.1 834 825 A 53 GLN H A 52 SER HBx 1.0 0.0 6.0 835 826 A 63 GLU H A 63 GLU HA 1.0 1.8 3.6 836 827 A 63 GLU H A 62 PHE HA 1.0 1.8 3.8 837 828 A 63 GLU H A 64 ASP HA 1.0 2.0 6.0 838 829 A 71 TYR H A 71 TYR HA 1.0 1.9 4.1 839 830 A 70 GLY HAx A 71 TYR H 1.0 1.8 4.0 840 831 A 71 TYR H A 71 TYR HBy 1.0 1.8 3.8 841 832 A 71 TYR H A 71 TYR HBx 1.0 1.9 4.1 842 833 A 82 GLN H A 83 ALA HA 1.0 0.0 6.0 843 834 A 89 TRP HA A 89 TRP H 1.0 1.8 4.0 844 835 A 89 TRP H A 88 LYS HA 1.0 1.8 3.6 845 836 A 89 TRP HA A 90 GLU H 1.0 1.9 4.1 846 837 A 90 GLU H A 90 GLU HA 1.0 1.8 3.8 847 838 A 91 ALA H A 90 GLU HA 1.0 1.8 3.8 848 839 A 91 ALA H A 92 ASP HA 1.0 2.0 5.2 849 840 A 93 ALA HA A 92 ASP H 1.0 2.0 5.6 850 841 A 99 THR H A 98 GLU HA 1.0 1.7 3.1 851 842 A 50 ALA H A 47 THR HA 1.0 2.0 5.6 852 843 A 50 ALA H A 51 VAL HA 1.0 2.0 6.0 853 844 A 43 SER H A 40 PHE HBx 1.0 2.0 5.8 854 845 A 14 ILE H A 12 GLU HBx 1.0 2.0 5.6 855 845 A 14 ILE H A 12 GLU HBy 1.0 2.0 5.6 856 846 A 89 TRP HA A 89 TRP HE1 1.0 0.0 6.0 857 847 A 89 TRP HE1 A 89 TRP HZ2 1.0 1.7 3.3 858 848 A 89 TRP HE1 A 89 TRP HD1 1.0 1.6 3.0 859 849 A 89 TRP HE1 A 89 TRP HH2 1.0 0.0 6.0 860 850 A 59 TRP HE1 A 59 TRP HZ2 1.0 1.7 3.5 861 851 A 59 TRP HH2 A 59 TRP HE1 1.0 2.0 5.6 862 852 A 59 TRP HE1 A 59 TRP HD1 1.0 1.6 3.0 863 853 A 74 VAL HB A 76 ALA H 1.0 2.0 5.8 864 854 A 100 LYS H A 100 LYS HBy 1.0 1.8 3.4 865 855 A 100 LYS H A 100 LYS HG2 1.0 1.9 4.3 866 856 A 97 GLN HE2y A 97 GLN HE2x 1.0 1.4 2.2 867 857 A 16 GLY H A 17 LEU HBx 1.0 2.0 5.8 868 858 A 27 ALA H A 26 ILE H 1.0 1.8 3.6 869 859 A 23 THR HA A 26 ILE H 1.0 2.0 4.8 870 860 A 26 ILE H A 26 ILE HA 1.0 1.9 3.9 871 861 A 26 ILE H A 26 ILE HB 1.0 1.8 3.4 872 862 A 26 ILE H A 26 ILE HG1x 1.0 2.0 6.0 873 863 A 29 GLY HAy A 30 VAL H 1.0 1.9 4.5 874 864 A 30 VAL H A 30 VAL HA 1.0 1.8 4.0 875 865 A 63 GLU H A 62 PHE HBy 1.0 1.9 4.1 876 866 A 62 PHE HBx A 63 GLU H 1.0 1.9 4.1 877 867 A 48 ARG HE A 48 ARG HDx 1.0 2.0 5.4 878 868 A 4 ARG HE A 4 ARG HDy 1.0 2.0 5.8 879 869 A 81 HIS HA A 81 HIS H 1.0 2.0 4.8 880 870 A 81 HIS H A 80 GLU HA 1.0 2.0 5.8 881 871 A 81 HIS H A 81 HIS HBy 1.0 2.0 5.0 882 872 A 81 HIS H A 81 HIS HBx 1.0 2.0 5.2 883 873 A 5 LEU H A 4 ARG HA 1.0 1.7 3.3 884 874 A 5 LEU H A 5 LEU HA 1.0 1.8 4.2 885 875 A 5 LEU H A 4 ARG HDy 1.0 2.0 5.2 886 876 A 5 LEU H A 5 LEU HBy 1.0 1.9 3.9 887 877 A 5 LEU H A 4 ARG HBy 1.0 1.9 4.1 888 878 A 28 ARG H A 26 ILE H 1.0 1.9 6.0 889 879 A 85 ILE H A 82 GLN HA 1.0 2.0 5.0 890 880 A 83 ALA H A 84 TYR HBx 1.0 2.0 5.6 891 881 A 74 VAL H A 75 THR HA 1.0 2.0 5.8 892 882 B 15 GLN H B 14 ILE HA 1.0 0.0 6.0 893 883 B 15 GLN H B 17 LEU H 1.0 1.9 5.3 894 884 B 101 ARG H B 101 ARG HGx 1.0 1.9 4.3 895 884 B 101 ARG H B 101 ARG HGy 1.0 1.9 4.3 896 885 B 101 ARG H B 101 ARG HGy 1.0 1.9 3.7 897 886 B 101 ARG H B 100 LYS HBx 1.0 1.9 4.5 898 887 B 101 ARG H B 101 ARG HA 1.0 1.8 3.8 899 888 B 101 ARG H B 100 LYS HA 1.0 1.6 2.8 900 889 B 100 LYS H B 101 ARG H 1.0 2.0 4.8 901 890 B 18 GLU H B 17 LEU HA 1.0 1.7 3.3 902 891 B 18 GLU H B 18 GLU HA 1.0 1.8 3.8 903 892 B 18 GLU H B 18 GLU HGy 1.0 1.9 4.1 904 893 B 18 GLU H B 18 GLU HBy 1.0 1.8 3.8 905 894 B 18 GLU H B 17 LEU HBy 1.0 1.9 4.3 906 895 B 50 ALA H B 52 SER H 1.0 1.9 5.1 907 896 B 50 ALA H B 51 VAL H 1.0 1.8 3.8 908 897 B 50 ALA H B 49 GLY HAy 1.0 1.8 3.8 909 898 B 3 LYS H B 2 LYS HA 1.0 1.6 3.0 910 899 B 3 LYS H B 3 LYS HA 1.0 1.9 4.1 911 900 B 3 LYS H B 2 LYS HBx 1.0 1.9 4.1 912 901 B 3 LYS H B 2 LYS HGy 1.0 2.0 5.4 913 902 B 3 LYS H B 3 LYS HBy 1.0 1.9 3.9 914 903 B 3 LYS H B 3 LYS HBx 1.0 1.9 4.3 915 904 B 3 LYS H B 3 LYS HDy 1.0 0.0 6.0 916 905 B 3 LYS H B 3 LYS HGx 1.0 1.9 4.7 917 906 B 15 GLN H B 14 ILE HG1x 1.0 1.9 4.3 918 907 B 15 GLN H B 14 ILE HG1y 1.0 1.9 4.1 919 908 B 15 GLN H B 15 GLN HGx 1.0 0.0 6.0 920 909 B 15 GLN H B 15 GLN HBx 1.0 1.7 2.9 921 910 B 15 GLN H B 14 ILE HB 1.0 1.9 4.7 922 911 B 15 GLN H B 14 ILE H 1.0 1.8 3.4 923 912 B 15 GLN H B 16 GLY H 1.0 1.9 5.1 924 913 B 37 GLN H B 36 PRO HA 1.0 1.8 3.8 925 914 B 67 LEU H B 66 ASN H 1.0 1.9 4.1 926 915 B 67 LEU H B 66 ASN HA 1.0 1.7 3.3 927 916 B 67 LEU H B 64 ASP HA 1.0 2.0 5.4 928 917 B 67 LEU H B 66 ASN HBy 1.0 1.9 4.9 929 918 B 67 LEU H B 66 ASN HBx 1.0 2.0 5.0 930 919 B 67 LEU H B 65 LYS HA 1.0 2.0 5.8 931 920 B 67 LEU H B 67 LEU HA 1.0 1.9 4.1 932 921 B 14 ILE H B 13 ALA H 1.0 1.9 3.9 933 922 B 14 ILE H B 14 ILE HA 1.0 1.9 3.9 934 923 B 14 ILE H B 12 GLU HBx 1.0 0.0 6.0 935 924 B 14 ILE H B 14 ILE HB 1.0 1.9 4.3 936 925 B 14 ILE H B 14 ILE HG1x 1.0 1.8 3.6 937 926 B 14 ILE H B 14 ILE HG1y 1.0 1.8 3.6 938 927 B 34 GLY H B 32 VAL H 1.0 1.9 4.7 939 928 B 34 GLY H B 32 VAL HA 1.0 2.0 5.2 940 929 B 34 GLY H B 33 ASP HA 1.0 1.9 4.3 941 930 B 34 GLY H B 35 LYS HA 1.0 0.0 6.0 942 931 B 34 GLY H B 33 ASP H 1.0 1.9 3.9 943 932 B 34 GLY H B 35 LYS H 1.0 1.8 3.6 944 933 B 34 GLY H B 33 ASP HBx 1.0 1.9 4.5 945 934 B 34 GLY H B 33 ASP HBy 1.0 2.0 4.8 946 935 B 29 GLY H B 29 GLY HAx 1.0 1.8 3.6 947 936 B 29 GLY H B 28 ARG HBy 1.0 1.9 3.9 948 937 B 29 GLY H B 29 GLY HAy 1.0 1.8 3.6 949 938 B 29 GLY H B 28 ARG HA 1.0 1.9 4.7 950 939 B 29 GLY H B 26 ILE HA 1.0 1.9 5.3 951 940 B 47 THR H B 46 LEU HA 1.0 1.7 3.3 952 941 B 47 THR H B 47 THR HA 1.0 1.8 4.0 953 942 B 47 THR H B 46 LEU HBy 1.0 1.8 3.6 954 943 B 47 THR H B 46 LEU HBx 1.0 0.0 6.0 955 944 B 20 GLY H B 19 VAL H 1.0 1.9 4.3 956 945 B 45 GLY H B 46 LEU HA 1.0 2.0 5.0 957 946 B 20 GLY H B 19 VAL HA 1.0 1.7 3.1 958 947 B 20 GLY H B 18 GLU HA 1.0 0.0 6.0 959 948 B 20 GLY H B 20 GLY HAy 1.0 1.8 3.6 960 949 B 20 GLY H B 20 GLY HAx 1.0 1.8 3.4 961 950 B 20 GLY H B 19 VAL HB 1.0 1.8 3.6 962 951 B 45 GLY H B 43 SER H 1.0 2.0 5.4 963 952 B 45 GLY H B 44 LEU HA 1.0 1.9 4.1 964 953 B 45 GLY H B 45 GLY HAx 1.0 1.6 2.8 965 954 B 45 GLY H B 44 LEU HBy 1.0 1.9 4.3 966 955 B 45 GLY H B 44 LEU HBx 1.0 1.9 4.1 967 956 B 45 GLY H B 46 LEU HBx 1.0 1.9 4.9 968 957 B 39 THR H B 38 ALA H 1.0 1.9 4.5 969 958 B 39 THR H B 41 ALA H 1.0 2.0 5.0 970 959 B 39 THR H B 38 ALA HA 1.0 1.9 4.3 971 960 B 39 THR H B 39 THR HA 1.0 1.8 3.4 972 961 B 39 THR H B 39 THR HB 1.0 1.8 3.4 973 962 B 39 THR H B 40 PHE HBy 1.0 0.0 6.0 974 963 B 6 THR H B 5 LEU HA 1.0 1.7 3.5 975 964 B 6 THR H B 9 GLN HA 1.0 0.0 6.0 976 965 B 42 THR H B 41 ALA H 1.0 1.8 3.4 977 966 B 42 THR H B 40 PHE HA 1.0 2.0 5.2 978 967 B 42 THR H B 42 THR HB 1.0 1.7 3.1 979 968 B 42 THR H B 42 THR HA 1.0 1.7 3.1 980 969 B 42 THR H B 41 ALA HA 1.0 1.8 3.8 981 970 B 70 GLY H B 69 GLU H 1.0 2.0 5.0 982 971 B 70 GLY H B 71 TYR H 1.0 1.9 3.9 983 972 B 70 GLY H B 69 GLU HA 1.0 1.7 3.1 984 973 B 70 GLY H B 69 GLU HBx 1.0 1.9 4.3 985 973 B 70 GLY H B 69 GLU HBy 1.0 1.9 4.3 986 974 B 8 SER H B 7 GLU H 1.0 1.9 3.9 987 975 B 8 SER H B 9 GLN H 1.0 1.9 4.1 988 976 B 8 SER H B 6 THR HB 1.0 1.8 3.6 989 977 B 8 SER H B 8 SER HA 1.0 1.7 3.5 990 978 B 8 SER H B 7 GLU HA 1.0 1.9 4.3 991 979 B 8 SER H B 8 SER HBy 1.0 0.0 6.0 992 980 B 8 SER H B 7 GLU HBy 1.0 1.8 3.8 993 981 B 8 SER H B 7 GLU HBx 1.0 0.0 6.0 994 982 B 83 ALA H B 82 GLN H 1.0 1.9 4.1 995 983 B 83 ALA H B 83 ALA HA 1.0 1.8 3.8 996 984 B 77 VAL H B 76 ALA HA 1.0 1.7 3.3 997 985 B 77 VAL H B 77 VAL HA 1.0 2.0 4.8 998 986 B 77 VAL HB B 77 VAL H 1.0 1.8 3.6 999 987 B 91 ALA H B 90 GLU H 1.0 1.9 3.9 1000 988 B 91 ALA H B 92 ASP H 1.0 1.9 3.9 1001 989 B 91 ALA H B 93 ALA H 1.0 2.0 4.8 1002 990 B 91 ALA H B 91 ALA HA 1.0 1.8 3.6 1003 991 B 9 GLN H B 6 THR HB 1.0 1.9 4.3 1004 992 B 9 GLN H B 8 SER HA 1.0 1.9 4.7 1005 993 B 9 GLN H B 9 GLN HA 1.0 1.9 3.9 1006 994 B 9 GLN H B 8 SER HBy 1.0 1.9 4.1 1007 995 B 9 GLN H B 10 PHE H 1.0 1.8 4.2 1008 996 B 6 THR H B 9 GLN H 1.0 1.9 5.1 1009 997 B 35 LYS H B 33 ASP HBy 1.0 2.0 5.2 1010 998 B 35 LYS H B 35 LYS HA 1.0 1.8 3.4 1011 999 B 73 ARG H B 73 ARG HBx 1.0 1.9 4.1 1012 1000 B 73 ARG H B 73 ARG HA 1.0 1.9 4.5 1013 1001 B 73 ARG H B 72 ALA HA 1.0 1.7 3.1 1014 1002 B 74 VAL H B 73 ARG H 1.0 2.0 5.4 1015 1003 B 93 ALA H B 92 ASP H 1.0 1.8 3.8 1016 1004 B 93 ALA H B 92 ASP HA 1.0 1.9 4.1 1017 1005 B 93 ALA H B 93 ALA HA 1.0 1.7 3.5 1018 1006 B 4 ARG H B 3 LYS HBy 1.0 1.9 4.7 1019 1007 B 4 ARG H B 3 LYS HBx 1.0 1.9 4.3 1020 1008 B 4 ARG H B 3 LYS HGx 1.0 1.9 5.1 1021 1009 B 4 ARG H B 4 ARG HBy 1.0 1.9 4.1 1022 1010 B 4 ARG H B 4 ARG HBx 1.0 1.9 3.7 1023 1011 B 4 ARG HGx B 4 ARG H 1.0 1.9 4.3 1024 1012 B 4 ARG H B 4 ARG HA 1.0 1.9 3.9 1025 1013 B 4 ARG H B 3 LYS HA 1.0 1.6 2.8 1026 1014 B 4 ARG H B 4 ARG HE 1.0 0.0 6.0 1027 1015 B 4 ARG H B 3 LYS HDy 1.0 1.9 5.1 1028 1016 B 7 GLU H B 6 THR HB 1.0 1.8 3.4 1029 1017 B 7 GLU H B 7 GLU HA 1.0 1.8 3.8 1030 1018 B 7 GLU HGx B 7 GLU H 1.0 1.9 4.7 1031 1018 B 7 GLU H B 7 GLU HGy 1.0 1.9 4.7 1032 1019 B 7 GLU H B 7 GLU HGy 1.0 1.9 4.5 1033 1020 B 7 GLU H B 7 GLU HBy 1.0 1.8 3.6 1034 1021 B 7 GLU H B 7 GLU HBx 1.0 1.8 3.6 1035 1022 B 6 THR HG1 B 7 GLU H 1.0 0.0 6.0 1036 1023 B 13 ALA H B 12 GLU HBy 1.0 1.8 3.4 1037 1024 B 13 ALA H B 12 GLU HBx 1.0 1.8 3.6 1038 1025 B 13 ALA H B 9 GLN HA 1.0 2.0 5.0 1039 1026 B 13 ALA H B 12 GLU HA 1.0 1.8 4.0 1040 1027 B 13 ALA HA B 13 ALA H 1.0 1.8 3.4 1041 1028 B 13 ALA H B 10 PHE HA 1.0 1.9 4.3 1042 1029 B 13 ALA H B 12 GLU H 1.0 1.8 3.4 1043 1030 B 15 GLN H B 13 ALA H 1.0 2.0 5.2 1044 1031 B 13 ALA H B 11 GLN H 1.0 2.0 5.4 1045 1032 B 41 ALA H B 40 PHE HBx 1.0 1.8 3.8 1046 1033 B 41 ALA H B 42 THR HA 1.0 0.0 6.0 1047 1034 B 41 ALA H B 41 ALA HA 1.0 1.8 3.6 1048 1035 B 41 ALA H B 40 PHE HA 1.0 1.9 4.5 1049 1036 B 16 GLY H B 17 LEU H 1.0 1.8 3.8 1050 1037 B 17 LEU H B 18 GLU H 1.0 1.9 4.7 1051 1038 B 17 LEU H B 17 LEU HA 1.0 1.8 3.4 1052 1039 B 17 LEU H B 16 GLY HAy 1.0 1.8 3.4 1053 1040 B 17 LEU H B 16 GLY HAx 1.0 1.9 4.1 1054 1041 B 17 LEU H B 15 GLN HBx 1.0 2.0 5.4 1055 1042 B 17 LEU H B 14 ILE HB 1.0 2.0 5.2 1056 1043 B 17 LEU H B 17 LEU HBx 1.0 1.7 3.3 1057 1044 B 17 LEU H B 17 LEU HBy 1.0 0.0 6.0 1058 1045 B 42 THR H B 40 PHE H 1.0 2.0 5.2 1059 1046 B 41 ALA H B 40 PHE H 1.0 1.8 3.4 1060 1047 B 40 PHE H B 40 PHE HA 1.0 1.9 3.7 1061 1048 B 40 PHE H B 38 ALA HA 1.0 2.0 4.8 1062 1049 B 40 PHE H B 39 THR HA 1.0 1.9 4.1 1063 1050 B 40 PHE H B 39 THR HB 1.0 1.8 3.8 1064 1051 B 40 PHE H B 40 PHE HBy 1.0 1.7 3.1 1065 1052 B 98 GLU H B 98 GLU HA 1.0 1.7 3.1 1066 1053 B 98 GLU H B 96 LYS H 1.0 1.9 4.7 1067 1054 B 96 LYS H B 95 LYS H 1.0 1.8 3.6 1068 1055 B 96 LYS H B 95 LYS HBy 1.0 0.0 6.0 1069 1056 B 96 LYS H B 95 LYS HBx 1.0 1.8 4.0 1070 1057 B 96 LYS H B 95 LYS HGy 1.0 0.0 6.0 1071 1058 B 96 LYS H B 95 LYS HGx 1.0 0.0 6.0 1072 1059 B 24 ILE H B 24 ILE HB 1.0 1.7 3.5 1073 1060 B 24 ILE HG1x B 24 ILE H 1.0 1.8 3.8 1074 1061 B 23 THR HG1 B 24 ILE H 1.0 1.9 4.3 1075 1062 B 23 THR HB B 24 ILE H 1.0 1.8 4.0 1076 1063 B 22 GLN HA B 24 ILE H 1.0 2.0 5.4 1077 1064 B 21 GLN HA B 24 ILE H 1.0 1.8 4.2 1078 1065 B 23 THR HA B 24 ILE H 1.0 2.0 5.2 1079 1066 B 24 ILE H B 24 ILE HA 1.0 1.8 4.0 1080 1067 B 25 GLU H B 24 ILE H 1.0 1.9 3.9 1081 1068 B 23 THR H B 24 ILE H 1.0 1.9 3.9 1082 1069 B 89 TRP HA B 92 ASP H 1.0 1.9 4.7 1083 1070 B 92 ASP HA B 92 ASP H 1.0 1.7 3.5 1084 1071 B 91 ALA HA B 92 ASP H 1.0 1.9 4.3 1085 1072 B 92 ASP H B 90 GLU HA 1.0 1.9 4.5 1086 1073 B 28 ARG H B 28 ARG HA 1.0 1.8 4.0 1087 1074 B 28 ARG H B 27 ALA HA 1.0 2.0 4.8 1088 1075 B 29 GLY H B 28 ARG H 1.0 1.9 3.9 1089 1076 B 28 ARG H B 27 ALA H 1.0 1.9 4.1 1090 1077 B 92 ASP HA B 95 LYS H 1.0 1.9 4.3 1091 1078 B 95 LYS H B 95 LYS HA 1.0 1.6 3.0 1092 1079 B 95 LYS H B 94 LYS H 1.0 1.7 3.1 1093 1080 B 21 GLN H B 22 GLN HBy 1.0 0.0 6.0 1094 1081 B 21 GLN H B 20 GLY HAy 1.0 1.7 3.3 1095 1082 B 21 GLN H B 20 GLY HAx 1.0 1.7 3.3 1096 1083 B 21 GLN H B 21 GLN HA 1.0 1.8 3.4 1097 1084 B 25 GLU H B 24 ILE HB 1.0 1.7 3.1 1098 1085 B 25 GLU H B 25 GLU HA 1.0 1.8 3.4 1099 1086 B 25 GLU H B 24 ILE HA 1.0 2.0 4.6 1100 1087 B 25 GLU H B 26 ILE H 1.0 1.8 4.0 1101 1088 B 25 GLU H B 23 THR H 1.0 1.9 5.3 1102 1089 B 97 GLN H B 97 GLN HBy 1.0 0.0 6.0 1103 1090 B 95 LYS HBy B 97 GLN H 1.0 0.0 6.0 1104 1091 B 97 GLN H B 96 LYS HDy 1.0 0.0 6.0 1105 1092 B 97 GLN H B 95 LYS HGx 1.0 0.0 6.0 1106 1093 B 50 ALA HA B 51 VAL H 1.0 1.9 4.3 1107 1094 B 51 VAL H B 52 SER HBx 1.0 0.0 6.0 1108 1095 B 51 VAL H B 51 VAL HA 1.0 1.8 3.8 1109 1096 B 26 ILE HG1y B 27 ALA H 1.0 2.0 4.8 1110 1097 B 27 ALA H B 26 ILE HB 1.0 1.8 3.4 1111 1098 B 27 ALA H B 26 ILE HA 1.0 1.9 4.7 1112 1099 B 27 ALA H B 27 ALA HA 1.0 1.8 3.8 1113 1100 B 27 ALA H B 24 ILE HA 1.0 2.0 5.0 1114 1101 B 38 ALA H B 37 GLN HBy 1.0 1.9 4.7 1115 1102 B 37 GLN HBx B 38 ALA H 1.0 1.8 4.0 1116 1103 B 38 ALA H B 38 ALA HA 1.0 1.8 3.6 1117 1104 B 38 ALA H B 37 GLN HA 1.0 2.0 5.0 1118 1105 B 60 ALA H B 59 TRP HBy 1.0 1.8 3.6 1119 1106 B 60 ALA H B 59 TRP HBx 1.0 0.0 6.0 1120 1107 B 80 GLU H B 79 PRO HBy 1.0 0.0 6.0 1121 1108 B 81 HIS HA B 80 GLU H 1.0 0.0 6.0 1122 1109 B 32 VAL H B 32 VAL HA 1.0 1.8 4.0 1123 1110 B 32 VAL H B 31 LEU HA 1.0 2.0 5.0 1124 1111 B 32 VAL H B 32 VAL HB 1.0 1.8 3.6 1125 1112 B 32 VAL H B 31 LEU HBy 1.0 2.0 4.8 1126 1113 B 62 PHE H B 62 PHE HBy 1.0 1.8 3.8 1127 1114 B 62 PHE HBx B 62 PHE H 1.0 1.8 3.8 1128 1115 B 61 ALA HA B 62 PHE H 1.0 1.9 4.3 1129 1116 B 62 PHE H B 62 PHE HA 1.0 1.8 3.8 1130 1117 B 62 PHE H B 63 GLU H 1.0 1.9 3.9 1131 1118 B 85 ILE H B 86 VAL H 1.0 1.9 4.5 1132 1119 B 86 VAL HB B 86 VAL H 1.0 1.8 4.0 1133 1120 B 85 ILE HB B 86 VAL H 1.0 1.9 4.1 1134 1121 B 83 ALA HA B 86 VAL H 1.0 2.0 4.8 1135 1122 B 86 VAL H B 85 ILE HA 1.0 1.8 4.2 1136 1123 B 87 ARG H B 86 VAL H 1.0 2.0 4.4 1137 1124 B 82 GLN H B 82 GLN HA 1.0 2.0 4.4 1138 1125 B 82 GLN H B 81 HIS HA 1.0 2.0 5.4 1139 1126 B 66 ASN H B 65 LYS H 1.0 1.8 3.6 1140 1127 B 66 ASN H B 64 ASP HA 1.0 2.0 5.0 1141 1128 B 66 ASN H B 65 LYS HBy 1.0 1.9 4.5 1142 1129 B 66 ASN H B 65 LYS HBx 1.0 1.8 4.2 1143 1130 B 66 ASN H B 63 GLU HA 1.0 1.9 4.9 1144 1131 B 66 ASN H B 65 LYS HA 1.0 1.8 4.0 1145 1132 B 44 LEU H B 40 PHE HA 1.0 2.0 5.0 1146 1133 B 43 SER HA B 44 LEU H 1.0 1.9 4.1 1147 1134 B 44 LEU H B 44 LEU HA 1.0 1.8 3.6 1148 1135 B 64 ASP H B 64 ASP HA 1.0 1.8 3.8 1149 1136 B 61 ALA HA B 64 ASP H 1.0 1.9 4.5 1150 1137 B 64 ASP H B 62 PHE HA 1.0 2.0 5.2 1151 1138 B 64 ASP H B 63 GLU HA 1.0 1.9 4.7 1152 1139 B 12 GLU H B 11 GLN HGx 1.0 2.0 4.8 1153 1140 B 12 GLU H B 12 GLU HGy 1.0 1.8 3.8 1154 1141 B 12 GLU HBy B 12 GLU H 1.0 0.0 6.0 1155 1142 B 12 GLU HBx B 12 GLU H 1.0 1.7 3.3 1156 1143 B 8 SER HA B 12 GLU H 1.0 2.0 5.2 1157 1144 B 9 GLN HA B 12 GLU H 1.0 1.9 4.5 1158 1145 B 12 GLU HA B 12 GLU H 1.0 1.8 3.4 1159 1146 B 13 ALA HA B 12 GLU H 1.0 2.0 5.2 1160 1147 B 12 GLU H B 11 GLN HA 1.0 1.9 4.3 1161 1148 B 11 GLN H B 12 GLU H 1.0 1.8 3.8 1162 1149 B 64 ASP H B 65 LYS H 1.0 1.9 4.1 1163 1150 B 65 LYS H B 64 ASP HA 1.0 1.9 4.1 1164 1151 B 65 LYS H B 65 LYS HA 1.0 1.7 3.5 1165 1152 B 65 LYS H B 62 PHE HA 1.0 2.0 5.0 1166 1153 B 65 LYS H B 63 GLU HA 1.0 2.0 5.2 1167 1154 B 57 ARG HA B 58 VAL H 1.0 1.9 4.5 1168 1155 B 57 ARG HBy B 58 VAL H 1.0 1.9 4.5 1169 1156 B 57 ARG HBx B 58 VAL H 1.0 0.0 6.0 1170 1157 B 87 ARG H B 86 VAL HA 1.0 1.9 4.5 1171 1158 B 87 ARG H B 87 ARG HA 1.0 1.9 3.9 1172 1159 B 56 HIS HA B 56 HIS H 1.0 1.8 3.8 1173 1160 B 55 VAL HA B 56 HIS H 1.0 0.0 6.0 1174 1161 B 57 ARG H B 56 HIS H 1.0 1.8 4.0 1175 1162 B 56 HIS H B 55 VAL H 1.0 1.9 3.9 1176 1163 B 56 HIS H B 54 ALA H 1.0 2.0 5.4 1177 1164 B 58 VAL H B 56 HIS H 1.0 1.9 4.9 1178 1165 B 32 VAL H B 33 ASP H 1.0 1.7 3.5 1179 1166 B 33 ASP H B 32 VAL HA 1.0 1.9 4.5 1180 1167 B 33 ASP H B 33 ASP HA 1.0 1.8 3.8 1181 1168 B 33 ASP H B 34 GLY HAx 1.0 1.9 4.7 1182 1169 B 33 ASP H B 33 ASP HBx 1.0 2.0 4.8 1183 1170 B 33 ASP H B 33 ASP HBy 1.0 1.9 3.9 1184 1171 B 33 ASP H B 32 VAL HB 1.0 1.8 3.6 1185 1172 B 42 THR H B 43 SER H 1.0 1.8 3.6 1186 1173 B 44 LEU H B 43 SER H 1.0 1.8 3.6 1187 1174 B 43 SER H B 44 LEU HA 1.0 0.0 6.0 1188 1175 B 43 SER H B 40 PHE HA 1.0 1.9 4.1 1189 1176 B 43 SER H B 42 THR HA 1.0 1.9 3.9 1190 1177 B 31 LEU H B 31 LEU HA 1.0 1.9 4.3 1191 1178 B 31 LEU H B 30 VAL HB 1.0 1.9 4.1 1192 1179 B 11 GLN H B 11 GLN HGx 1.0 1.8 3.8 1193 1180 B 11 GLN H B 11 GLN HBy 1.0 1.7 3.3 1194 1181 B 11 GLN H B 10 PHE H 1.0 1.9 4.3 1195 1182 B 11 GLN H B 8 SER HA 1.0 1.9 4.5 1196 1183 B 11 GLN H B 12 GLU HA 1.0 0.0 6.0 1197 1184 B 11 GLN H B 11 GLN HA 1.0 1.8 3.8 1198 1185 B 54 ALA HA B 55 VAL H 1.0 1.9 4.5 1199 1186 B 55 VAL HA B 55 VAL H 1.0 1.9 3.9 1200 1187 B 55 VAL H B 55 VAL HB 1.0 1.8 3.4 1201 1188 B 99 THR H B 99 THR HA 1.0 1.7 2.9 1202 1189 B 99 THR H B 99 THR HB 1.0 0.0 6.0 1203 1190 B 98 GLU HBx B 99 THR H 1.0 1.9 4.3 1204 1191 B 99 THR H B 99 THR HG1 1.0 1.8 3.8 1205 1192 B 52 SER H B 54 ALA H 1.0 2.0 5.4 1206 1193 B 52 SER H B 52 SER HBy 1.0 1.7 3.5 1207 1194 B 52 SER H B 52 SER HBx 1.0 1.6 3.0 1208 1195 B 52 SER H B 51 VAL HA 1.0 1.9 4.5 1209 1196 B 52 SER H B 51 VAL HB 1.0 1.8 3.6 1210 1197 B 16 GLY H B 16 GLY HAx 1.0 1.8 3.8 1211 1198 B 15 GLN HGx B 16 GLY H 1.0 1.9 4.7 1212 1199 B 16 GLY H B 15 GLN HBx 1.0 1.9 4.5 1213 1200 B 77 VAL H B 76 ALA H 1.0 2.0 5.6 1214 1201 B 14 ILE H B 12 GLU H 1.0 2.0 5.6 1215 1202 B 100 LYS H B 100 LYS HA 1.0 1.6 3.0 1216 1203 B 34 GLY H B 34 GLY HAy 1.0 1.7 3.3 1217 1204 B 34 GLY H B 34 GLY HAx 1.0 1.7 3.3 1218 1205 B 47 THR H B 49 GLY H 1.0 2.0 5.6 1219 1206 B 47 THR HA B 49 GLY H 1.0 2.0 5.8 1220 1207 B 48 ARG HA B 49 GLY H 1.0 1.9 4.3 1221 1208 B 48 ARG HBy B 49 GLY H 1.0 2.0 5.6 1222 1208 B 49 GLY H B 48 ARG HBx 1.0 2.0 5.6 1223 1209 B 45 GLY H B 45 GLY HAy 1.0 0.0 6.0 1224 1210 B 6 THR H B 10 PHE H 1.0 2.0 5.6 1225 1211 B 53 GLN H B 54 ALA H 1.0 1.8 3.6 1226 1212 B 84 TYR HA B 85 ILE H 1.0 1.9 5.1 1227 1213 B 85 ILE H B 85 ILE HA 1.0 1.9 4.1 1228 1214 B 84 TYR HBx B 85 ILE H 1.0 2.0 4.6 1229 1215 B 84 TYR HBy B 85 ILE H 1.0 1.9 4.5 1230 1216 B 86 VAL HB B 85 ILE H 1.0 2.0 5.8 1231 1217 B 85 ILE HB B 85 ILE H 1.0 1.8 3.6 1232 1218 B 8 SER H B 10 PHE H 1.0 1.9 4.1 1233 1219 B 58 VAL H B 59 TRP H 1.0 1.8 3.6 1234 1220 B 72 ALA H B 71 TYR H 1.0 2.0 4.8 1235 1221 B 6 THR H B 7 GLU H 1.0 2.0 6.0 1236 1222 B 88 LYS H B 89 TRP H 1.0 1.9 4.1 1237 1223 B 72 ALA H B 73 ARG H 1.0 2.0 5.4 1238 1224 B 87 ARG H B 88 LYS H 1.0 1.9 4.1 1239 1225 B 54 ALA H B 55 VAL H 1.0 1.8 3.6 1240 1226 B 88 LYS H B 88 LYS HA 1.0 1.8 3.6 1241 1227 B 88 LYS H B 87 ARG HA 1.0 1.9 4.5 1242 1228 B 77 VAL H B 78 LEU HA 1.0 2.0 6.0 1243 1229 B 50 ALA H B 49 GLY H 1.0 2.0 5.8 1244 1230 B 19 VAL H B 18 GLU H 1.0 1.9 3.9 1245 1231 B 19 VAL H B 18 GLU HA 1.0 1.5 2.7 1246 1232 B 19 VAL HB B 19 VAL H 1.0 0.0 6.0 1247 1233 B 23 THR H B 22 GLN HBy 1.0 1.7 3.5 1248 1234 B 19 VAL H B 18 GLU HBy 1.0 1.9 4.3 1249 1235 B 19 VAL H B 17 LEU HBx 1.0 0.0 6.0 1250 1236 B 19 VAL H B 17 LEU HBy 1.0 0.0 6.0 1251 1237 B 23 THR H B 22 GLN HA 1.0 1.9 4.3 1252 1238 B 31 LEU H B 30 VAL H 1.0 1.9 3.9 1253 1239 B 29 GLY H B 30 VAL H 1.0 1.9 4.7 1254 1240 B 58 VAL H B 55 VAL H 1.0 2.0 5.8 1255 1241 B 29 GLY H B 33 ASP H 1.0 2.0 5.8 1256 1242 B 29 GLY H B 27 ALA H 1.0 2.0 5.8 1257 1243 B 4 ARG H B 3 LYS H 1.0 2.0 5.0 1258 1244 B 6 THR H B 8 SER H 1.0 1.9 6.0 1259 1245 B 9 GLN H B 7 GLU H 1.0 2.0 6.0 1260 1246 B 10 PHE H B 12 GLU H 1.0 2.0 6.0 1261 1247 B 10 PHE H B 10 PHE HA 1.0 1.8 4.0 1262 1248 B 10 PHE HBy B 10 PHE H 1.0 1.9 3.9 1263 1249 B 31 LEU H B 33 ASP H 1.0 2.0 5.6 1264 1250 B 35 LYS H B 33 ASP H 1.0 2.0 5.6 1265 1251 B 39 THR H B 40 PHE H 1.0 1.8 3.4 1266 1252 B 40 PHE H B 38 ALA H 1.0 2.0 6.0 1267 1253 B 41 ALA H B 43 SER H 1.0 2.0 5.6 1268 1254 B 48 ARG H B 49 GLY H 1.0 2.0 6.0 1269 1255 B 53 GLN H B 55 VAL H 1.0 1.9 4.9 1270 1256 B 60 ALA H B 57 ARG H 1.0 2.0 5.6 1271 1257 B 65 LYS H B 63 GLU H 1.0 2.0 5.6 1272 1258 B 61 ALA H B 63 GLU H 1.0 2.0 5.0 1273 1259 B 67 LEU H B 65 LYS H 1.0 2.0 6.0 1274 1260 B 66 ASN H B 64 ASP H 1.0 2.0 5.8 1275 1261 B 82 GLN H B 84 TYR H 1.0 2.0 5.6 1276 1262 B 6 THR H B 5 LEU H 1.0 2.0 5.4 1277 1263 B 4 ARG H B 5 LEU H 1.0 1.9 4.7 1278 1264 B 6 THR H B 5 LEU HBx 1.0 2.0 5.8 1279 1265 B 6 THR H B 5 LEU HBy 1.0 2.0 5.8 1280 1266 B 31 LEU H B 30 VAL HA 1.0 2.0 5.6 1281 1267 B 65 LYS H B 64 ASP HBx 1.0 1.9 4.3 1282 1268 B 65 LYS H B 64 ASP HBy 1.0 1.9 4.3 1283 1269 B 44 LEU H B 43 SER HBx 1.0 1.8 3.8 1284 1270 B 44 LEU H B 43 SER HBy 1.0 1.8 3.8 1285 1271 B 57 ARG H B 56 HIS HBy 1.0 1.8 3.6 1286 1271 B 57 ARG H B 56 HIS HBx 1.0 1.8 3.6 1287 1272 B 82 GLN H B 81 HIS HBy 1.0 1.9 5.5 1288 1273 B 82 GLN H B 81 HIS HBx 1.0 2.0 5.6 1289 1274 B 18 GLU H B 17 LEU HBx 1.0 1.9 4.5 1290 1275 B 28 ARG H B 24 ILE HA 1.0 2.0 5.8 1291 1276 B 35 LYS H B 34 GLY HAx 1.0 1.9 4.1 1292 1277 B 35 LYS H B 34 GLY HAy 1.0 1.9 4.1 1293 1278 B 39 THR H B 40 PHE HA 1.0 2.0 5.8 1294 1279 B 53 GLN H B 53 GLN HA 1.0 1.7 3.1 1295 1280 B 53 GLN H B 52 SER HBx 1.0 0.0 6.0 1296 1281 B 63 GLU H B 63 GLU HA 1.0 1.8 3.6 1297 1282 B 63 GLU H B 62 PHE HA 1.0 1.8 3.8 1298 1283 B 63 GLU H B 64 ASP HA 1.0 2.0 6.0 1299 1284 B 71 TYR H B 71 TYR HA 1.0 1.9 4.1 1300 1285 B 70 GLY HAy B 71 TYR H 1.0 1.8 4.0 1301 1286 B 71 TYR H B 71 TYR HBx 1.0 1.8 3.8 1302 1287 B 71 TYR H B 71 TYR HBy 1.0 1.9 4.1 1303 1288 B 82 GLN H B 83 ALA HA 1.0 0.0 6.0 1304 1289 B 89 TRP HA B 89 TRP H 1.0 1.8 4.0 1305 1290 B 89 TRP H B 88 LYS HA 1.0 1.8 3.6 1306 1291 B 89 TRP HA B 90 GLU H 1.0 1.9 4.1 1307 1292 B 90 GLU H B 90 GLU HA 1.0 1.8 3.8 1308 1293 B 91 ALA H B 90 GLU HA 1.0 1.8 3.8 1309 1294 B 91 ALA H B 92 ASP HA 1.0 2.0 5.2 1310 1295 B 93 ALA HA B 92 ASP H 1.0 2.0 5.6 1311 1296 B 99 THR H B 98 GLU HA 1.0 1.7 3.1 1312 1297 B 50 ALA H B 47 THR HA 1.0 2.0 5.6 1313 1298 B 50 ALA H B 51 VAL HA 1.0 2.0 6.0 1314 1299 B 43 SER H B 40 PHE HBx 1.0 2.0 5.8 1315 1300 B 14 ILE H B 12 GLU HBx 1.0 2.0 5.6 1316 1300 B 14 ILE H B 12 GLU HBy 1.0 2.0 5.6 1317 1301 B 89 TRP HA B 89 TRP HE1 1.0 0.0 6.0 1318 1302 B 89 TRP HE1 B 89 TRP HZ2 1.0 1.7 3.3 1319 1303 B 89 TRP HE1 B 89 TRP HD1 1.0 1.6 3.0 1320 1304 B 89 TRP HE1 B 89 TRP HH2 1.0 0.0 6.0 1321 1305 B 59 TRP HE1 B 59 TRP HZ2 1.0 1.7 3.5 1322 1306 B 59 TRP HH2 B 59 TRP HE1 1.0 2.0 5.6 1323 1307 B 59 TRP HE1 B 59 TRP HD1 1.0 1.6 3.0 1324 1308 B 74 VAL HB B 76 ALA H 1.0 2.0 5.8 1325 1309 B 100 LYS H B 100 LYS HBx 1.0 1.8 3.4 1326 1310 B 100 LYS H B 100 LYS HGx 1.0 1.9 4.3 1327 1311 B 97 GLN HE2x B 97 GLN HE2y 1.0 1.4 2.2 1328 1312 B 16 GLY H B 17 LEU HBy 1.0 2.0 5.8 1329 1313 B 27 ALA H B 26 ILE H 1.0 1.8 3.6 1330 1314 B 23 THR HA B 26 ILE H 1.0 2.0 4.8 1331 1315 B 26 ILE H B 26 ILE HA 1.0 1.9 3.9 1332 1316 B 26 ILE H B 26 ILE HB 1.0 1.8 3.4 1333 1317 B 26 ILE H B 26 ILE HG1x 1.0 2.0 6.0 1334 1318 B 29 GLY HAy B 30 VAL H 1.0 1.9 4.5 1335 1319 B 30 VAL H B 30 VAL HA 1.0 1.8 4.0 1336 1320 B 63 GLU H B 62 PHE HBy 1.0 1.9 4.1 1337 1321 B 62 PHE HBx B 63 GLU H 1.0 1.9 4.1 1338 1322 B 48 ARG HE B 48 ARG HDy 1.0 2.0 5.4 1339 1323 B 4 ARG HE B 4 ARG HDy 1.0 2.0 5.8 1340 1324 B 81 HIS HA B 81 HIS H 1.0 2.0 4.8 1341 1325 B 81 HIS H B 80 GLU HA 1.0 2.0 5.8 1342 1326 B 81 HIS H B 81 HIS HBy 1.0 2.0 5.0 1343 1327 B 81 HIS H B 81 HIS HBx 1.0 2.0 5.2 1344 1328 B 5 LEU H B 4 ARG HA 1.0 1.7 3.3 1345 1329 B 5 LEU H B 5 LEU HA 1.0 1.8 4.2 1346 1330 B 5 LEU H B 4 ARG HDy 1.0 2.0 5.2 1347 1331 B 5 LEU H B 5 LEU HBy 1.0 1.9 3.9 1348 1332 B 5 LEU H B 4 ARG HBy 1.0 1.9 4.1 1349 1333 B 28 ARG H B 26 ILE H 1.0 1.9 6.0 1350 1334 B 85 ILE H B 82 GLN HA 1.0 2.0 5.0 1351 1335 B 83 ALA H B 84 TYR HBy 1.0 2.0 5.6 1352 1336 B 74 VAL H B 75 THR HA 1.0 2.0 5.8 1353 1337 B 74 VAL H A 76 ALA H 1.0 2.0 4.4 1354 1338 A 75 THR HA A 76 ALA H 1.0 2.0 4.4 1355 1339 A 76 ALA HA A 76 ALA H 1.0 1.9 4.3 1356 1340 A 75 THR HB A 76 ALA H 1.0 2.0 4.8 1357 1341 A 74 VAL H A 73 ARG HA 1.0 1.8 3.6 1358 1342 A 74 VAL H A 74 VAL HA 1.0 1.8 4.2 1359 1343 A 74 VAL H A 74 VAL HB 1.0 1.9 4.5 1360 1344 A 74 VAL H A 73 ARG HBx 1.0 2.0 5.0 1361 1345 A 78 LEU H A 78 LEU HA 1.0 1.9 4.3 1362 1346 A 78 LEU H A 77 VAL HA 1.0 1.8 3.8 1363 1347 A 72 ALA H A 71 TYR HA 1.0 1.8 3.6 1364 1348 A 72 ALA H A 72 ALA HA 1.0 1.9 4.3 1365 1349 A 72 ALA H A 71 TYR HBy 1.0 2.0 4.6 1366 1350 A 72 ALA H A 71 TYR HBx 1.0 1.9 4.5 1367 1351 A 74 VAL H B 76 ALA H 1.0 2.0 4.4 1368 1352 B 75 THR HA B 76 ALA H 1.0 2.0 4.4 1369 1353 B 76 ALA HA B 76 ALA H 1.0 1.9 4.3 1370 1354 B 75 THR HB B 76 ALA H 1.0 2.0 4.8 1371 1355 B 74 VAL H B 73 ARG HA 1.0 1.8 3.6 1372 1356 B 74 VAL H B 74 VAL HA 1.0 1.8 4.2 1373 1357 B 74 VAL H B 74 VAL HB 1.0 1.9 4.5 1374 1358 B 74 VAL H B 73 ARG HBx 1.0 2.0 5.0 1375 1359 B 78 LEU H B 78 LEU HA 1.0 1.9 4.3 1376 1360 B 78 LEU H B 77 VAL HA 1.0 1.8 3.8 1377 1361 B 72 ALA H B 71 TYR HA 1.0 1.8 3.6 1378 1362 B 72 ALA H B 72 ALA HA 1.0 1.9 4.3 1379 1363 B 72 ALA H B 71 TYR HBx 1.0 2.0 4.6 1380 1364 B 72 ALA H B 71 TYR HBy 1.0 1.9 4.5 1381 1365 B 74 VAL HB A 80 GLU HA 1.0 0.0 6.0 1382 1366 A 7 GLU HA A 11 GLN HBx 1.0 0.0 6.0 1383 1367 A 89 TRP HB3 A 90 GLU HA 1.0 0.0 6.0 1384 1368 A 74 VAL HA A 74 VAL HB 1.0 1.7 3.3 1385 1369 A 8 SER HA A 8 SER HB3 1.0 0.0 6.0 1386 1370 A 31 LEU HA A 4 ARG HA 1.0 1.9 4.1 1387 1371 A 17 LEU HA A 17 LEU HG 1.0 0.0 6.0 1388 1372 A 17 LEU HA A 17 LEU HBx 1.0 1.6 2.8 1389 1373 A 36 PRO HA A 35 LYS HA 1.0 0.0 6.0 1390 1374 A 18 GLU HA A 18 GLU HB3 1.0 1.7 2.9 1391 1375 A 86 VAL HB A 83 ALA HA 1.0 1.8 3.8 1392 1376 A 3 LYS HA A 3 LYS HBy 1.0 1.7 3.3 1393 1377 A 3 LYS HA A 3 LYS HD3 1.0 0.0 6.0 1394 1378 A 3 LYS HA A 3 LYS HG2 1.0 1.7 3.3 1395 1379 A 4 ARG HGx A 33 ASP HBx 1.0 0.0 6.0 1396 1380 A 33 ASP HBy A 29 GLY HAx 1.0 1.9 4.1 1397 1381 A 29 GLY HAy A 33 ASP HBy 1.0 1.8 3.8 1398 1382 A 29 GLY HAy A 33 ASP HBx 1.0 0.0 6.0 1399 1383 A 33 ASP HBx A 29 GLY HAx 1.0 1.9 4.1 1400 1384 A 12 GLU HBy A 12 GLU HA 1.0 1.6 2.8 1401 1385 A 15 GLN HBx A 12 GLU HA 1.0 0.0 6.0 1402 1386 A 23 THR HG1 A 19 VAL HB 1.0 0.0 6.0 1403 1387 A 14 ILE HG1y A 11 GLN HA 1.0 1.7 3.5 1404 1388 A 14 ILE HG1x A 11 GLN HA 1.0 1.8 3.6 1405 1389 A 90 GLU HB3 A 90 GLU HA 1.0 1.7 3.1 1406 1390 A 92 ASP HBx A 90 GLU HA 1.0 0.0 6.0 1407 1391 A 90 GLU HA A 86 VAL HA 1.0 0.0 6.0 1408 1392 A 73 ARG HA B 77 VAL HA 1.0 1.9 4.3 1409 1393 A 68 PRO HBy A 68 PRO HDy 1.0 0.0 6.0 1410 1394 A 68 PRO HDy A 68 PRO HBx 1.0 0.0 6.0 1411 1395 A 46 LEU HA A 46 LEU HBy 1.0 1.8 3.4 1412 1396 A 92 ASP HBy A 92 ASP HA 1.0 1.7 3.3 1413 1397 A 92 ASP HBx A 92 ASP HA 1.0 1.7 3.3 1414 1398 A 92 ASP HA A 95 LYS HBy 1.0 0.0 6.0 1415 1399 A 92 ASP HA A 95 LYS HBx 1.0 1.8 3.6 1416 1400 A 14 ILE HA A 14 ILE HB 1.0 1.7 3.1 1417 1401 A 14 ILE HA A 17 LEU HBx 1.0 0.0 6.0 1418 1402 A 55 VAL HB A 37 GLN HG2 1.0 0.0 6.0 1419 1403 A 46 LEU HBy A 41 ALA HA 1.0 0.0 6.0 1420 1404 A 6 THR HG1 A 5 LEU HA 1.0 0.0 6.0 1421 1405 A 56 HIS HBx A 53 GLN HA 1.0 1.7 3.1 1422 1406 A 19 VAL HA A 20 GLY HAx 1.0 0.0 6.0 1423 1407 A 21 GLN HA A 25 GLU HBx 1.0 0.0 6.0 1424 1408 A 53 GLN HGx A 53 GLN HA 1.0 1.7 3.1 1425 1409 A 25 GLU HGx A 22 GLN HA 1.0 0.0 6.0 1426 1410 A 22 GLN HA A 22 GLN HB3 1.0 1.6 3.0 1427 1411 A 22 GLN HA A 25 GLU HBx 1.0 1.7 3.3 1428 1412 A 28 ARG HB3 A 28 ARG HA 1.0 1.7 3.5 1429 1413 A 28 ARG HA A 32 VAL HB 1.0 1.9 4.1 1430 1414 A 44 LEU HBx A 44 LEU HA 1.0 1.7 3.1 1431 1415 A 42 THR HG1 A 39 THR HA 1.0 0.0 6.0 1432 1416 A 43 SER HBx A 40 PHE HA 1.0 1.7 3.5 1433 1417 A 50 ALA HA A 53 GLN HBy 1.0 1.7 3.3 1434 1418 A 23 THR HG1 A 54 ALA HA 1.0 0.0 6.0 1435 1419 A 55 VAL HA A 27 ALA HA 1.0 1.8 3.8 1436 1420 A 57 ARG HA A 57 ARG HDx 1.0 1.8 3.6 1437 1421 A 58 VAL HA A 24 ILE HG1y 1.0 0.0 6.0 1438 1421 A 58 VAL HA A 24 ILE HG1x 1.0 0.0 6.0 1439 1422 A 100 LYS HA A 100 LYS HD3 1.0 0.0 6.0 1440 1423 A 65 LYS HA A 65 LYS HD3 1.0 0.0 6.0 1441 1424 A 65 LYS HG2 A 65 LYS HA 1.0 1.7 3.1 1442 1425 A 99 THR HG1 A 99 THR HA 1.0 0.0 6.0 1443 1426 A 71 TYR HA A 71 TYR HBx 1.0 1.9 4.3 1444 1427 A 73 ARG HBx A 73 ARG HA 1.0 1.9 4.3 1445 1428 A 77 VAL HA B 73 ARG HBx 1.0 1.9 4.5 1446 1429 A 86 VAL HA A 87 ARG HA 1.0 0.0 6.0 1447 1430 A 10 PHE HBx A 7 GLU HA 1.0 1.9 4.5 1448 1431 A 92 ASP HBx A 88 LYS HA 1.0 0.0 6.0 1449 1432 A 88 LYS HB3 A 88 LYS HA 1.0 1.7 3.1 1450 1433 A 24 ILE HG1x A 22 GLN HA 1.0 0.0 6.0 1451 1433 A 24 ILE HG1y A 22 GLN HA 1.0 0.0 6.0 1452 1434 A 89 TRP HA A 92 ASP HBy 1.0 1.9 4.1 1453 1435 A 91 ALA HA A 94 LYS HBx 1.0 0.0 6.0 1454 1436 A 95 LYS HBx A 95 LYS HA 1.0 1.6 3.0 1455 1437 A 95 LYS HGx A 95 LYS HA 1.0 1.7 2.9 1456 1438 A 2 LYS HA A 2 LYS HGy 1.0 1.6 3.0 1457 1439 A 68 PRO HBy A 68 PRO HA 1.0 1.7 3.3 1458 1440 A 57 ARG HG2 A 57 ARG HBy 1.0 1.9 4.3 1459 1441 A 14 ILE HG1y A 14 ILE HG1x 1.0 1.7 3.1 1460 1442 A 92 ASP HBx A 92 ASP HBy 1.0 1.6 3.0 1461 1443 A 40 PHE HBy A 40 PHE HA 1.0 1.7 3.3 1462 1443 A 40 PHE HA A 40 PHE HBx 1.0 1.7 3.3 1463 1444 A 43 SER HA A 43 SER HBy 1.0 1.5 2.5 1464 1444 A 43 SER HA A 43 SER HBx 1.0 1.5 2.5 1465 1445 A 48 ARG HA A 52 SER HBx 1.0 0.0 6.0 1466 1446 A 17 LEU HBx A 14 ILE HB 1.0 0.0 6.0 1467 1447 A 3 LYS HBy A 3 LYS HD3 1.0 1.7 3.3 1468 1448 A 3 LYS HBx A 3 LYS HD3 1.0 1.8 3.4 1469 1449 A 46 LEU HBy A 46 LEU HG 1.0 1.8 3.4 1470 1450 A 46 LEU HBx A 46 LEU HG 1.0 1.8 3.6 1471 1451 A 46 LEU HBy A 26 ILE HG1x 1.0 0.0 6.0 1472 1452 A 53 GLN HA A 53 GLN HBy 1.0 1.6 3.0 1473 1453 A 53 GLN HA A 53 GLN HBx 1.0 1.6 3.0 1474 1453 A 53 GLN HA A 53 GLN HBy 1.0 1.6 3.0 1475 1454 A 15 GLN HBx A 14 ILE HB 1.0 0.0 6.0 1476 1455 A 95 LYS HD3 A 100 LYS HE2 1.0 0.0 6.0 1477 1456 A 14 ILE HA A 17 LEU HBy 1.0 1.8 3.8 1478 1457 A 14 ILE HB A 17 LEU HBy 1.0 1.9 4.1 1479 1458 A 74 VAL HB B 86 VAL HB 1.0 0.0 6.0 1480 1459 A 74 VAL HB B 80 GLU HA 1.0 0.0 6.0 1481 1460 B 7 GLU HA B 11 GLN HBx 1.0 0.0 6.0 1482 1461 B 89 TRP HBy B 90 GLU HA 1.0 0.0 6.0 1483 1462 B 74 VAL HA B 74 VAL HB 1.0 1.7 3.3 1484 1463 B 8 SER HA B 8 SER HBy 1.0 0.0 6.0 1485 1464 B 31 LEU HA B 4 ARG HA 1.0 1.9 4.1 1486 1465 B 17 LEU HA B 17 LEU HG 1.0 0.0 6.0 1487 1466 B 17 LEU HA B 17 LEU HBy 1.0 1.6 2.8 1488 1467 B 36 PRO HA B 35 LYS HA 1.0 0.0 6.0 1489 1468 B 18 GLU HA B 18 GLU HBy 1.0 1.7 2.9 1490 1469 B 86 VAL HB B 83 ALA HA 1.0 1.8 3.8 1491 1470 B 3 LYS HA B 3 LYS HBy 1.0 1.7 3.3 1492 1471 B 3 LYS HA B 3 LYS HDy 1.0 0.0 6.0 1493 1472 B 3 LYS HA B 3 LYS HGx 1.0 1.7 3.3 1494 1473 B 4 ARG HGx B 33 ASP HBy 1.0 0.0 6.0 1495 1474 B 33 ASP HBx B 29 GLY HAx 1.0 1.9 4.1 1496 1475 B 29 GLY HAy B 33 ASP HBx 1.0 1.8 3.8 1497 1476 B 29 GLY HAy B 33 ASP HBy 1.0 0.0 6.0 1498 1477 B 33 ASP HBy B 29 GLY HAx 1.0 1.9 4.1 1499 1478 B 12 GLU HBy B 12 GLU HA 1.0 1.6 2.8 1500 1479 B 15 GLN HBx B 12 GLU HA 1.0 0.0 6.0 1501 1480 B 23 THR HG1 B 19 VAL HB 1.0 0.0 6.0 1502 1481 B 14 ILE HG1x B 11 GLN HA 1.0 1.7 3.5 1503 1482 B 14 ILE HG1y B 11 GLN HA 1.0 1.8 3.6 1504 1483 B 90 GLU HBy B 90 GLU HA 1.0 1.7 3.1 1505 1484 B 92 ASP HBx B 90 GLU HA 1.0 0.0 6.0 1506 1485 B 90 GLU HA B 86 VAL HA 1.0 0.0 6.0 1507 1486 A 77 VAL HA B 73 ARG HA 1.0 1.9 4.3 1508 1487 B 68 PRO HBy B 68 PRO HDy 1.0 0.0 6.0 1509 1488 B 68 PRO HDy B 68 PRO HBx 1.0 0.0 6.0 1510 1489 B 46 LEU HA B 46 LEU HBy 1.0 1.8 3.4 1511 1490 B 92 ASP HBy B 92 ASP HA 1.0 1.7 3.3 1512 1491 B 92 ASP HBx B 92 ASP HA 1.0 1.7 3.3 1513 1492 B 92 ASP HA B 95 LYS HBy 1.0 0.0 6.0 1514 1493 B 92 ASP HA B 95 LYS HBx 1.0 1.8 3.6 1515 1494 B 14 ILE HA B 14 ILE HB 1.0 1.7 3.1 1516 1495 B 14 ILE HA B 17 LEU HBy 1.0 0.0 6.0 1517 1496 B 55 VAL HB B 37 GLN HGx 1.0 0.0 6.0 1518 1497 B 46 LEU HBy B 41 ALA HA 1.0 0.0 6.0 1519 1498 B 6 THR HG1 B 5 LEU HA 1.0 0.0 6.0 1520 1499 B 56 HIS HBx B 53 GLN HA 1.0 1.7 3.1 1521 1500 B 19 VAL HA B 20 GLY HAx 1.0 0.0 6.0 1522 1501 B 21 GLN HA B 25 GLU HBx 1.0 0.0 6.0 1523 1502 B 53 GLN HGx B 53 GLN HA 1.0 1.7 3.1 1524 1503 B 25 GLU HGx B 22 GLN HA 1.0 0.0 6.0 1525 1504 B 22 GLN HA B 22 GLN HBy 1.0 1.6 3.0 1526 1505 B 22 GLN HA B 25 GLU HBx 1.0 1.7 3.3 1527 1506 B 28 ARG HBy B 28 ARG HA 1.0 1.7 3.5 1528 1507 B 28 ARG HA B 32 VAL HB 1.0 1.9 4.1 1529 1508 B 44 LEU HBx B 44 LEU HA 1.0 1.7 3.1 1530 1509 B 42 THR HG1 B 39 THR HA 1.0 0.0 6.0 1531 1510 B 43 SER HBx B 40 PHE HA 1.0 1.7 3.5 1532 1511 B 50 ALA HA B 53 GLN HBx 1.0 1.7 3.3 1533 1512 B 23 THR HG1 B 54 ALA HA 1.0 0.0 6.0 1534 1513 B 55 VAL HA B 27 ALA HA 1.0 1.8 3.8 1535 1514 B 57 ARG HA B 57 ARG HDy 1.0 1.8 3.6 1536 1515 B 58 VAL HA B 24 ILE HG1y 1.0 0.0 6.0 1537 1515 B 58 VAL HA B 24 ILE HG1x 1.0 0.0 6.0 1538 1516 B 100 LYS HA B 100 LYS HDy 1.0 0.0 6.0 1539 1517 B 65 LYS HA B 65 LYS HDy 1.0 0.0 6.0 1540 1518 B 65 LYS HGx B 65 LYS HA 1.0 1.7 3.1 1541 1519 B 99 THR HG1 B 99 THR HA 1.0 0.0 6.0 1542 1520 B 71 TYR HA B 71 TYR HBy 1.0 1.9 4.3 1543 1521 B 73 ARG HBx B 73 ARG HA 1.0 1.9 4.3 1544 1522 A 73 ARG HBx B 77 VAL HA 1.0 1.9 4.5 1545 1523 B 86 VAL HA B 87 ARG HA 1.0 0.0 6.0 1546 1524 B 10 PHE HBy B 7 GLU HA 1.0 1.9 4.5 1547 1525 B 92 ASP HBx B 88 LYS HA 1.0 0.0 6.0 1548 1526 B 88 LYS HBy B 88 LYS HA 1.0 1.7 3.1 1549 1527 B 24 ILE HG1x B 22 GLN HA 1.0 0.0 6.0 1550 1527 B 24 ILE HG1y B 22 GLN HA 1.0 0.0 6.0 1551 1528 B 89 TRP HA B 92 ASP HBy 1.0 1.9 4.1 1552 1529 B 91 ALA HA B 94 LYS HBx 1.0 0.0 6.0 1553 1530 B 95 LYS HBx B 95 LYS HA 1.0 1.6 3.0 1554 1531 B 95 LYS HGx B 95 LYS HA 1.0 1.7 2.9 1555 1532 B 2 LYS HA B 2 LYS HGy 1.0 1.6 3.0 1556 1533 B 68 PRO HBy B 68 PRO HA 1.0 1.7 3.3 1557 1534 B 57 ARG HGx B 57 ARG HBy 1.0 1.9 4.3 1558 1535 B 14 ILE HG1x B 14 ILE HG1y 1.0 1.7 3.1 1559 1536 B 92 ASP HBx B 92 ASP HBy 1.0 1.6 3.0 1560 1537 B 40 PHE HBy B 40 PHE HA 1.0 1.7 3.3 1561 1537 B 40 PHE HA B 40 PHE HBx 1.0 1.7 3.3 1562 1538 B 43 SER HA B 43 SER HBy 1.0 1.5 2.5 1563 1538 B 43 SER HA B 43 SER HBx 1.0 1.5 2.5 1564 1539 B 48 ARG HA B 52 SER HBx 1.0 0.0 6.0 1565 1540 B 17 LEU HBy B 14 ILE HB 1.0 0.0 6.0 1566 1541 B 3 LYS HBy B 3 LYS HDy 1.0 1.7 3.3 1567 1542 B 3 LYS HBx B 3 LYS HDy 1.0 1.8 3.4 1568 1543 B 46 LEU HBy B 46 LEU HG 1.0 1.8 3.4 1569 1544 B 46 LEU HBx B 46 LEU HG 1.0 1.8 3.6 1570 1545 B 46 LEU HBy B 26 ILE HG1x 1.0 0.0 6.0 1571 1546 B 53 GLN HA B 53 GLN HBx 1.0 1.6 3.0 1572 1547 B 53 GLN HA B 53 GLN HBy 1.0 1.6 3.0 1573 1547 B 53 GLN HA B 53 GLN HBx 1.0 1.6 3.0 1574 1548 B 15 GLN HBx B 14 ILE HB 1.0 0.0 6.0 1575 1549 B 95 LYS HDy B 100 LYS HEx 1.0 0.0 6.0 1576 1550 B 14 ILE HA B 17 LEU HBx 1.0 1.8 3.8 1577 1551 B 14 ILE HB B 17 LEU HBx 1.0 1.9 4.1 1578 1552 A 86 VAL HB B 74 VAL HB 1.0 0.0 6.0 1579 1553 A 56 HIS HA A 56 HIS HBx 1.0 1.7 2.9 1580 1554 A 47 THR HG1 A 47 THR HA 1.0 0.0 6.0 1581 1555 A 6 THR HA A 6 THR HG1 1.0 0.0 6.0 1582 1556 A 40 PHE HA A 40 PHE HBx 1.0 1.7 2.9 1583 1557 A 79 PRO HB3 A 79 PRO HA 1.0 1.7 3.3 1584 1558 A 75 THR HA A 75 THR HG1 1.0 0.0 6.0 1585 1559 A 42 THR HG1 A 42 THR HA 1.0 1.5 2.7 1586 1560 A 23 THR HG1 A 23 THR HA 1.0 0.0 6.0 1587 1561 A 23 THR HB A 23 THR HA 1.0 1.8 3.8 1588 1562 A 23 THR HA A 24 ILE HB 1.0 0.0 6.0 1589 1563 A 68 PRO HDy A 68 PRO HA 1.0 0.0 6.0 1590 1564 A 68 PRO HA A 68 PRO HDx 1.0 0.0 6.0 1591 1565 A 66 ASN HA A 66 ASN HBy 1.0 1.7 3.1 1592 1566 A 66 ASN HA A 66 ASN HBx 1.0 1.7 3.1 1593 1567 A 4 ARG HBy A 4 ARG HA 1.0 1.8 3.6 1594 1568 A 4 ARG HGy A 4 ARG HA 1.0 1.8 3.6 1595 1569 A 4 ARG HGx A 4 ARG HA 1.0 1.9 4.1 1596 1570 A 4 ARG HA A 4 ARG HDy 1.0 0.0 6.0 1597 1571 A 4 ARG HDx A 4 ARG HA 1.0 0.0 6.0 1598 1572 A 17 LEU HA A 18 GLU HB3 1.0 0.0 6.0 1599 1573 A 33 ASP HA A 33 ASP HBy 1.0 1.7 3.3 1600 1574 A 33 ASP HBx A 33 ASP HA 1.0 1.7 3.1 1601 1575 A 33 ASP HBx A 33 ASP HBy 1.0 1.7 3.1 1602 1576 A 75 THR HB A 75 THR HG1 1.0 0.0 6.0 1603 1577 A 6 THR HA A 6 THR HB 1.0 1.8 3.4 1604 1578 A 47 THR HB A 47 THR HA 1.0 1.7 3.1 1605 1579 A 47 THR HG1 A 47 THR HB 1.0 1.6 2.8 1606 1580 A 6 THR HG1 A 6 THR HB 1.0 1.6 2.8 1607 1581 A 75 THR HB A 75 THR HA 1.0 1.7 3.1 1608 1582 A 19 VAL HB A 19 VAL HA 1.0 1.6 3.0 1609 1583 A 42 THR HG1 A 42 THR HB 1.0 0.0 6.0 1610 1584 A 39 THR HG1 A 39 THR HB 1.0 1.6 2.6 1611 1585 A 23 THR HG1 A 23 THR HB 1.0 1.6 2.8 1612 1586 A 11 GLN HA A 11 GLN HBy 1.0 1.7 3.3 1613 1587 A 11 GLN HG2 A 11 GLN HA 1.0 1.8 3.6 1614 1588 A 48 ARG HA A 48 ARG HDx 1.0 0.0 6.0 1615 1589 A 48 ARG HA A 48 ARG HBx 1.0 1.6 2.8 1616 1589 A 48 ARG HA A 48 ARG HBy 1.0 1.6 2.8 1617 1590 A 48 ARG HA A 48 ARG HG2 1.0 1.8 3.8 1618 1591 A 62 PHE HBx A 61 ALA HA 1.0 0.0 6.0 1619 1592 A 68 PRO HDy A 68 PRO HDx 1.0 1.7 3.1 1620 1593 A 68 PRO HBy A 68 PRO HDx 1.0 0.0 6.0 1621 1594 A 68 PRO HBx A 68 PRO HDx 1.0 1.8 3.6 1622 1595 A 68 PRO HGy A 68 PRO HDx 1.0 1.9 3.9 1623 1596 A 68 PRO HGx A 68 PRO HDx 1.0 1.8 3.6 1624 1597 A 68 PRO HGx A 68 PRO HDy 1.0 1.8 3.8 1625 1598 A 46 LEU HA A 46 LEU HG 1.0 1.8 3.4 1626 1599 A 71 TYR HA A 70 GLY HAy 1.0 0.0 6.0 1627 1600 A 10 PHE HBy A 10 PHE HA 1.0 1.8 4.0 1628 1601 A 10 PHE HBx A 10 PHE HA 1.0 1.8 3.6 1629 1602 A 14 ILE HG1y A 14 ILE HA 1.0 1.8 3.8 1630 1603 A 14 ILE HA A 14 ILE HG1x 1.0 1.9 3.9 1631 1604 A 32 VAL HA A 32 VAL HB 1.0 1.8 3.8 1632 1605 A 24 ILE HB A 24 ILE HA 1.0 1.8 3.8 1633 1606 A 24 ILE HG1y A 24 ILE HA 1.0 1.7 3.3 1634 1606 A 24 ILE HG1x A 24 ILE HA 1.0 1.7 3.3 1635 1607 A 23 THR HG1 A 24 ILE HA 1.0 0.0 6.0 1636 1608 A 37 GLN HA A 37 GLN HG2 1.0 1.8 3.8 1637 1609 A 86 VAL HB A 85 ILE HA 1.0 0.0 6.0 1638 1610 A 7 GLU HGy A 7 GLU HA 1.0 1.8 3.6 1639 1611 A 15 GLN HGy A 15 GLN HA 1.0 1.6 3.0 1640 1612 A 15 GLN HA A 14 ILE HG1x 1.0 1.9 4.1 1641 1613 A 16 GLY HAy A 16 GLY HAx 1.0 1.6 2.8 1642 1614 A 20 GLY HAy A 20 GLY HAx 1.0 1.6 2.8 1643 1615 A 23 THR HA A 22 GLN HA 1.0 0.0 6.0 1644 1616 A 51 VAL HA A 51 VAL HB 1.0 1.8 3.8 1645 1617 A 26 ILE HA A 26 ILE HB 1.0 1.8 3.8 1646 1618 A 29 GLY HAy A 29 GLY HAx 1.0 1.8 3.4 1647 1619 A 37 GLN HBx A 36 PRO HA 1.0 0.0 6.0 1648 1620 A 57 ARG HBy A 57 ARG HA 1.0 1.7 3.1 1649 1621 A 57 ARG HA A 58 VAL HB 1.0 0.0 6.0 1650 1622 A 57 ARG HG2 A 57 ARG HA 1.0 0.0 6.0 1651 1623 A 58 VAL HA A 57 ARG HBx 1.0 0.0 6.0 1652 1624 A 62 PHE HBy A 62 PHE HA 1.0 1.8 3.6 1653 1625 A 62 PHE HBx A 62 PHE HA 1.0 1.8 3.6 1654 1626 A 63 GLU HBy A 63 GLU HA 1.0 1.6 3.0 1655 1627 A 63 GLU HBx A 63 GLU HA 1.0 1.7 3.3 1656 1628 A 64 ASP HA A 64 ASP HBx 1.0 1.7 2.9 1657 1629 A 69 GLU HG3 A 69 GLU HA 1.0 1.7 3.1 1658 1630 A 69 GLU HA A 69 GLU HBx 1.0 1.6 2.8 1659 1631 A 71 TYR HA A 71 TYR HBy 1.0 1.9 4.1 1660 1632 A 77 VAL HA A 78 LEU HA 1.0 0.0 6.0 1661 1633 A 77 VAL HB A 77 VAL HA 1.0 1.8 4.0 1662 1634 A 84 TYR HA A 85 ILE HA 1.0 0.0 6.0 1663 1635 A 84 TYR HBy A 84 TYR HA 1.0 1.7 3.3 1664 1636 A 84 TYR HBx A 84 TYR HA 1.0 1.7 3.3 1665 1637 A 86 VAL HB A 86 VAL HA 1.0 1.9 4.1 1666 1638 A 96 LYS HA A 96 LYS HBx 1.0 0.0 6.0 1667 1639 A 95 LYS HE2 A 96 LYS HA 1.0 0.0 6.0 1668 1640 A 96 LYS HBx A 97 GLN HA 1.0 0.0 6.0 1669 1641 A 97 GLN HA A 97 GLN HGx 1.0 1.6 3.0 1670 1642 A 97 GLN HBy A 97 GLN HA 1.0 1.6 2.6 1671 1643 A 2 LYS HA A 2 LYS HBx 1.0 0.0 6.0 1672 1644 A 98 GLU HA A 98 GLU HGy 1.0 1.7 3.1 1673 1645 A 98 GLU HGx A 98 GLU HA 1.0 1.6 2.8 1674 1646 A 98 GLU HA A 98 GLU HBy 1.0 0.0 6.0 1675 1647 A 28 ARG HGx A 28 ARG HA 1.0 1.8 3.8 1676 1648 A 28 ARG HGx A 28 ARG HD3 1.0 1.9 3.9 1677 1649 A 28 ARG HGx A 28 ARG HB3 1.0 1.8 4.0 1678 1650 A 4 ARG HGx A 4 ARG HBy 1.0 1.7 3.5 1679 1651 A 4 ARG HGx A 4 ARG HGy 1.0 1.6 2.6 1680 1652 A 4 ARG HGx A 4 ARG HDy 1.0 1.8 3.6 1681 1653 A 4 ARG HGx A 4 ARG HDx 1.0 1.7 3.3 1682 1654 A 4 ARG HGy A 4 ARG HDy 1.0 1.8 3.4 1683 1655 A 4 ARG HDx A 4 ARG HGy 1.0 1.6 3.2 1684 1656 A 4 ARG HGy A 4 ARG HBy 1.0 1.7 3.1 1685 1657 A 2 LYS HGx A 2 LYS HE2 1.0 1.9 3.7 1686 1658 A 39 THR HG1 A 39 THR HA 1.0 0.0 6.0 1687 1659 A 3 LYS HBx A 3 LYS HG2 1.0 1.8 3.4 1688 1660 A 3 LYS HD3 A 3 LYS HG2 1.0 1.6 3.0 1689 1661 A 66 ASN HBy A 66 ASN HBx 1.0 1.6 2.6 1690 1662 A 57 ARG HBy A 57 ARG HDy 1.0 0.0 6.0 1691 1663 A 57 ARG HBx A 57 ARG HDy 1.0 1.7 3.5 1692 1664 A 57 ARG HA A 57 ARG HDy 1.0 1.7 3.1 1693 1665 A 57 ARG HG2 A 57 ARG HDy 1.0 1.8 3.8 1694 1666 A 44 LEU HBy A 44 LEU HBx 1.0 1.7 3.1 1695 1667 A 43 SER HBx A 43 SER HBy 1.0 1.1 2.2 1696 1668 A 68 PRO HBy A 68 PRO HGx 1.0 1.8 3.8 1697 1669 A 68 PRO HGy A 68 PRO HDy 1.0 1.9 4.1 1698 1670 A 14 ILE HG1y A 14 ILE HB 1.0 1.8 3.8 1699 1671 A 14 ILE HG1x A 14 ILE HB 1.0 1.8 3.6 1700 1672 A 99 THR HB A 99 THR HG1 1.0 1.6 2.6 1701 1673 A 3 LYS HBy A 3 LYS HBx 1.0 1.7 2.9 1702 1674 A 3 LYS HBy A 3 LYS HG2 1.0 1.8 3.6 1703 1675 A 68 PRO HGx A 68 PRO HA 1.0 1.9 4.3 1704 1676 A 81 HIS HBy A 81 HIS HBx 1.0 1.7 3.3 1705 1677 A 81 HIS HA A 81 HIS HBy 1.0 1.8 3.6 1706 1678 A 81 HIS HA A 81 HIS HBx 1.0 1.8 3.6 1707 1679 A 17 LEU HA A 17 LEU HBy 1.0 1.7 3.3 1708 1680 B 56 HIS HA B 56 HIS HBx 1.0 1.7 2.9 1709 1681 B 47 THR HG1 B 47 THR HA 1.0 0.0 6.0 1710 1682 B 6 THR HA B 6 THR HG1 1.0 0.0 6.0 1711 1683 B 40 PHE HA B 40 PHE HBx 1.0 1.7 2.9 1712 1684 B 79 PRO HBy B 79 PRO HA 1.0 1.7 3.3 1713 1685 B 75 THR HA B 75 THR HG1 1.0 0.0 6.0 1714 1686 B 42 THR HG1 B 42 THR HA 1.0 1.5 2.7 1715 1687 B 23 THR HG1 B 23 THR HA 1.0 0.0 6.0 1716 1688 B 23 THR HB B 23 THR HA 1.0 1.8 3.8 1717 1689 B 23 THR HA B 24 ILE HB 1.0 0.0 6.0 1718 1690 B 68 PRO HDy B 68 PRO HA 1.0 0.0 6.0 1719 1691 B 68 PRO HA B 68 PRO HDx 1.0 0.0 6.0 1720 1692 B 66 ASN HA B 66 ASN HBy 1.0 1.7 3.1 1721 1693 B 66 ASN HA B 66 ASN HBx 1.0 1.7 3.1 1722 1694 B 4 ARG HBy B 4 ARG HA 1.0 1.8 3.6 1723 1695 B 4 ARG HGy B 4 ARG HA 1.0 1.8 3.6 1724 1696 B 4 ARG HGx B 4 ARG HA 1.0 1.9 4.1 1725 1697 B 4 ARG HA B 4 ARG HDy 1.0 0.0 6.0 1726 1698 B 4 ARG HDx B 4 ARG HA 1.0 0.0 6.0 1727 1699 B 17 LEU HA B 18 GLU HBy 1.0 0.0 6.0 1728 1700 B 33 ASP HA B 33 ASP HBx 1.0 1.7 3.3 1729 1701 B 33 ASP HBy B 33 ASP HA 1.0 1.7 3.1 1730 1702 B 33 ASP HBy B 33 ASP HBx 1.0 1.7 3.1 1731 1703 B 75 THR HB B 75 THR HG1 1.0 0.0 6.0 1732 1704 B 6 THR HA B 6 THR HB 1.0 1.8 3.4 1733 1705 B 47 THR HB B 47 THR HA 1.0 1.7 3.1 1734 1706 B 47 THR HG1 B 47 THR HB 1.0 1.6 2.8 1735 1707 B 6 THR HG1 B 6 THR HB 1.0 1.6 2.8 1736 1708 B 75 THR HB B 75 THR HA 1.0 1.7 3.1 1737 1709 B 19 VAL HB B 19 VAL HA 1.0 1.6 3.0 1738 1710 B 42 THR HG1 B 42 THR HB 1.0 0.0 6.0 1739 1711 B 39 THR HG1 B 39 THR HB 1.0 1.6 2.6 1740 1712 B 23 THR HG1 B 23 THR HB 1.0 1.6 2.8 1741 1713 B 11 GLN HA B 11 GLN HBy 1.0 1.7 3.3 1742 1714 B 11 GLN HGx B 11 GLN HA 1.0 1.8 3.6 1743 1715 B 48 ARG HA B 48 ARG HDy 1.0 0.0 6.0 1744 1716 B 48 ARG HA B 48 ARG HBx 1.0 1.6 2.8 1745 1716 B 48 ARG HA B 48 ARG HBy 1.0 1.6 2.8 1746 1717 B 48 ARG HA B 48 ARG HGx 1.0 1.8 3.8 1747 1718 B 62 PHE HBx B 61 ALA HA 1.0 0.0 6.0 1748 1719 B 68 PRO HDy B 68 PRO HDx 1.0 1.7 3.1 1749 1720 B 68 PRO HBy B 68 PRO HDx 1.0 0.0 6.0 1750 1721 B 68 PRO HBx B 68 PRO HDx 1.0 1.8 3.6 1751 1722 B 68 PRO HGy B 68 PRO HDx 1.0 1.9 3.9 1752 1723 B 68 PRO HGx B 68 PRO HDx 1.0 1.8 3.6 1753 1724 B 68 PRO HGx B 68 PRO HDy 1.0 1.8 3.8 1754 1725 B 46 LEU HA B 46 LEU HG 1.0 1.8 3.4 1755 1726 B 71 TYR HA B 70 GLY HAx 1.0 0.0 6.0 1756 1727 B 10 PHE HBx B 10 PHE HA 1.0 1.8 4.0 1757 1728 B 10 PHE HBy B 10 PHE HA 1.0 1.8 3.6 1758 1729 B 14 ILE HG1x B 14 ILE HA 1.0 1.8 3.8 1759 1730 B 14 ILE HA B 14 ILE HG1y 1.0 1.9 3.9 1760 1731 B 32 VAL HA B 32 VAL HB 1.0 1.8 3.8 1761 1732 B 24 ILE HB B 24 ILE HA 1.0 1.8 3.8 1762 1733 B 24 ILE HG1y B 24 ILE HA 1.0 1.7 3.3 1763 1733 B 24 ILE HG1x B 24 ILE HA 1.0 1.7 3.3 1764 1734 B 23 THR HG1 B 24 ILE HA 1.0 0.0 6.0 1765 1735 B 37 GLN HA B 37 GLN HGx 1.0 1.8 3.8 1766 1736 B 86 VAL HB B 85 ILE HA 1.0 0.0 6.0 1767 1737 B 7 GLU HGx B 7 GLU HA 1.0 1.8 3.6 1768 1738 B 15 GLN HGx B 15 GLN HA 1.0 1.6 3.0 1769 1739 B 15 GLN HA B 14 ILE HG1y 1.0 1.9 4.1 1770 1740 B 16 GLY HAy B 16 GLY HAx 1.0 1.6 2.8 1771 1741 B 20 GLY HAy B 20 GLY HAx 1.0 1.6 2.8 1772 1742 B 23 THR HA B 22 GLN HA 1.0 0.0 6.0 1773 1743 B 51 VAL HA B 51 VAL HB 1.0 1.8 3.8 1774 1744 B 26 ILE HA B 26 ILE HB 1.0 1.8 3.8 1775 1745 B 29 GLY HAy B 29 GLY HAx 1.0 1.8 3.4 1776 1746 B 37 GLN HBx B 36 PRO HA 1.0 0.0 6.0 1777 1747 B 57 ARG HBy B 57 ARG HA 1.0 1.7 3.1 1778 1748 B 57 ARG HA B 58 VAL HB 1.0 0.0 6.0 1779 1749 B 57 ARG HGx B 57 ARG HA 1.0 0.0 6.0 1780 1750 B 58 VAL HA B 57 ARG HBx 1.0 0.0 6.0 1781 1751 B 62 PHE HBy B 62 PHE HA 1.0 1.8 3.6 1782 1752 B 62 PHE HBx B 62 PHE HA 1.0 1.8 3.6 1783 1753 B 63 GLU HBy B 63 GLU HA 1.0 1.6 3.0 1784 1754 B 63 GLU HBx B 63 GLU HA 1.0 1.7 3.3 1785 1755 B 64 ASP HA B 64 ASP HBx 1.0 1.7 2.9 1786 1756 B 69 GLU HGy B 69 GLU HA 1.0 1.7 3.1 1787 1757 B 69 GLU HA B 69 GLU HBx 1.0 1.6 2.8 1788 1758 B 71 TYR HA B 71 TYR HBx 1.0 1.9 4.1 1789 1759 B 77 VAL HA B 78 LEU HA 1.0 0.0 6.0 1790 1760 B 77 VAL HB B 77 VAL HA 1.0 1.8 4.0 1791 1761 B 84 TYR HA B 85 ILE HA 1.0 0.0 6.0 1792 1762 B 84 TYR HBx B 84 TYR HA 1.0 1.7 3.3 1793 1763 B 84 TYR HBy B 84 TYR HA 1.0 1.7 3.3 1794 1764 B 86 VAL HB B 86 VAL HA 1.0 1.9 4.1 1795 1765 B 96 LYS HA B 96 LYS HBx 1.0 0.0 6.0 1796 1766 B 95 LYS HEx B 96 LYS HA 1.0 0.0 6.0 1797 1767 B 96 LYS HBx B 97 GLN HA 1.0 0.0 6.0 1798 1768 B 97 GLN HA B 97 GLN HGx 1.0 1.6 3.0 1799 1769 B 97 GLN HBy B 97 GLN HA 1.0 1.6 2.6 1800 1770 B 2 LYS HA B 2 LYS HBx 1.0 0.0 6.0 1801 1771 B 98 GLU HA B 98 GLU HGx 1.0 1.7 3.1 1802 1772 B 98 GLU HGy B 98 GLU HA 1.0 1.6 2.8 1803 1773 B 98 GLU HA B 98 GLU HBy 1.0 0.0 6.0 1804 1774 B 28 ARG HGx B 28 ARG HA 1.0 1.8 3.8 1805 1775 B 28 ARG HGx B 28 ARG HDy 1.0 1.9 3.9 1806 1776 B 28 ARG HGx B 28 ARG HBy 1.0 1.8 4.0 1807 1777 B 4 ARG HGx B 4 ARG HBy 1.0 1.7 3.5 1808 1778 B 4 ARG HGx B 4 ARG HGy 1.0 1.6 2.6 1809 1779 B 4 ARG HGx B 4 ARG HDy 1.0 1.8 3.6 1810 1780 B 4 ARG HGx B 4 ARG HDx 1.0 1.7 3.3 1811 1781 B 4 ARG HGy B 4 ARG HDy 1.0 1.8 3.4 1812 1782 B 4 ARG HDx B 4 ARG HGy 1.0 1.6 3.2 1813 1783 B 4 ARG HGy B 4 ARG HBy 1.0 1.7 3.1 1814 1784 B 2 LYS HGx B 2 LYS HEx 1.0 1.9 3.7 1815 1785 B 39 THR HG1 B 39 THR HA 1.0 0.0 6.0 1816 1786 B 3 LYS HBx B 3 LYS HGx 1.0 1.8 3.4 1817 1787 B 3 LYS HDy B 3 LYS HGx 1.0 1.6 3.0 1818 1788 B 66 ASN HBy B 66 ASN HBx 1.0 1.6 2.6 1819 1789 B 57 ARG HBy B 57 ARG HDx 1.0 0.0 6.0 1820 1790 B 57 ARG HBx B 57 ARG HDx 1.0 1.7 3.5 1821 1791 B 57 ARG HA B 57 ARG HDx 1.0 1.7 3.1 1822 1792 B 57 ARG HGx B 57 ARG HDx 1.0 1.8 3.8 1823 1793 B 44 LEU HBy B 44 LEU HBx 1.0 1.7 3.1 1824 1794 B 43 SER HBx B 43 SER HBy 1.0 1.1 2.2 1825 1795 B 68 PRO HBy B 68 PRO HGx 1.0 1.8 3.8 1826 1796 B 68 PRO HGy B 68 PRO HDy 1.0 1.9 4.1 1827 1797 B 14 ILE HG1x B 14 ILE HB 1.0 1.8 3.8 1828 1798 B 14 ILE HG1y B 14 ILE HB 1.0 1.8 3.6 1829 1799 B 99 THR HB B 99 THR HG1 1.0 1.6 2.6 1830 1800 B 3 LYS HBy B 3 LYS HBx 1.0 1.7 2.9 1831 1801 B 3 LYS HBy B 3 LYS HGx 1.0 1.8 3.6 1832 1802 B 68 PRO HGx B 68 PRO HA 1.0 1.9 4.3 1833 1803 B 81 HIS HBy B 81 HIS HBx 1.0 1.7 3.3 1834 1804 B 81 HIS HA B 81 HIS HBy 1.0 1.8 3.6 1835 1805 B 81 HIS HA B 81 HIS HBx 1.0 1.8 3.6 1836 1806 B 17 LEU HA B 17 LEU HBx 1.0 1.7 3.3 1837 1807 A 59 TRP HH2 A 59 TRP HZ3 1.0 1.7 3.3 1838 1808 A 59 TRP HH2 A 59 TRP HZ2 1.0 1.6 2.8 1839 1809 A 81 HIS HD2 A 81 HIS HE1 1.0 1.9 4.3 1840 1810 A 89 TRP HZ2 A 89 TRP HH2 1.0 1.6 3.0 1841 1811 A 59 TRP HE3 A 59 TRP HZ3 1.0 1.8 3.4 1842 1812 B 59 TRP HH2 B 59 TRP HZ3 1.0 1.7 3.3 1843 1813 B 59 TRP HH2 B 59 TRP HZ2 1.0 1.6 2.8 1844 1814 B 81 HIS HD2 B 81 HIS HE1 1.0 1.9 4.3 1845 1815 B 89 TRP HZ2 B 89 TRP HH2 1.0 1.6 3.0 1846 1816 B 59 TRP HE3 B 59 TRP HZ3 1.0 1.8 3.4 1847 1817 A 10 PHE HZ A 24 ILE HA 1.0 1.9 4.5 1848 1818 A 89 TRP HA A 89 TRP HD1 1.0 1.8 3.6 1849 1819 A 4 ARG HA A 59 TRP HZ3 1.0 2.0 4.4 1850 1820 A 10 PHE HZ A 28 ARG HA 1.0 1.9 5.1 1851 1821 A 67 LEU HA A 68 PRO HDx 1.0 1.8 4.0 1852 1822 B 10 PHE HZ B 24 ILE HA 1.0 1.9 4.5 1853 1823 B 89 TRP HA B 89 TRP HD1 1.0 1.8 3.6 1854 1824 B 4 ARG HA B 59 TRP HZ3 1.0 2.0 4.4 1855 1825 B 10 PHE HZ B 28 ARG HA 1.0 1.9 5.1 1856 1826 B 67 LEU HA B 68 PRO HDx 1.0 1.8 4.0 1857 1827 A 15 GLN H A 11 GLN HA 1.0 2.0 5.0 1858 1828 A 39 THR H A 36 PRO HB3 1.0 0.0 6.0 1859 1829 A 97 GLN HE2y A 94 LYS HG2 1.0 1.9 5.1 1860 1830 A 98 GLU H A 95 LYS HA 1.0 1.7 3.1 1861 1831 A 92 ASP H A 90 GLU H 1.0 1.9 4.5 1862 1832 A 89 TRP H A 86 VAL HA 1.0 1.9 4.1 1863 1833 B 15 GLN H B 11 GLN HA 1.0 2.0 5.0 1864 1834 B 39 THR H B 36 PRO HBy 1.0 0.0 6.0 1865 1835 B 97 GLN HE2x B 94 LYS HGx 1.0 1.9 5.1 1866 1836 B 98 GLU H B 95 LYS HA 1.0 1.7 3.1 1867 1837 B 92 ASP H B 90 GLU H 1.0 1.9 4.5 1868 1838 B 89 TRP H B 86 VAL HA 1.0 1.9 4.1 1869 1839 A 75 THR H A 76 ALA H 1.0 2.0 4.4 1870 1840 B 75 THR H B 76 ALA H 1.0 2.0 4.4 1871 1841 A 4 ARG HGx A 35 LYS HA 1.0 0.0 6.0 1872 1842 A 3 LYS HA A 3 LYS HBx 1.0 1.6 3.0 1873 1843 A 13 ALA HA A 65 LYS HBx 1.0 0.0 6.0 1874 1843 A 13 ALA HA A 65 LYS HD3 1.0 0.0 6.0 1875 1844 A 42 THR HA A 41 ALA HA 1.0 0.0 6.0 1876 1845 A 39 THR HG1 A 40 PHE HA 1.0 0.0 6.0 1877 1846 A 37 GLN HA A 51 VAL HB 1.0 0.0 6.0 1878 1847 A 14 ILE HG1x A 11 GLN HE2x 1.0 0.0 6.0 1879 1848 A 14 ILE HB A 17 LEU HG 1.0 0.0 6.0 1880 1849 B 4 ARG HGx B 35 LYS HA 1.0 0.0 6.0 1881 1850 B 3 LYS HA B 3 LYS HBx 1.0 1.6 3.0 1882 1851 B 13 ALA HA B 65 LYS HBx 1.0 0.0 6.0 1883 1851 B 13 ALA HA B 65 LYS HDy 1.0 0.0 6.0 1884 1852 B 42 THR HA B 41 ALA HA 1.0 0.0 6.0 1885 1853 B 39 THR HG1 B 40 PHE HA 1.0 0.0 6.0 1886 1854 B 37 GLN HA B 51 VAL HB 1.0 0.0 6.0 1887 1855 B 14 ILE HG1y B 11 GLN HE2x 1.0 0.0 6.0 1888 1856 B 14 ILE HB B 17 LEU HG 1.0 0.0 6.0 1889 1857 B 21 GLN H B 19 VAL HA 1.0 0.0 6.0 1890 1858 A 21 GLN H A 19 VAL HA 1.0 0.0 6.0 1891 1859 A 12 GLU HA A 12 GLU HG3 1.0 1.7 3.3 1892 1860 B 12 GLU HA B 12 GLU HGy 1.0 1.7 3.3 1893 1861 A 35 LYS H A 4 ARG HBx 1.0 0.0 6.0 1894 1862 B 35 LYS H B 4 ARG HBx 1.0 0.0 6.0 1895 1863 A 13 ALA H A 12 GLU HG3 1.0 2.0 5.0 1896 1864 B 13 ALA H B 12 GLU HGy 1.0 2.0 5.0 1897 1865 A 101 ARG HGy A 101 ARG HA 1.0 1.7 2.9 1898 1866 A 51 VAL HB A 48 ARG HBx 1.0 0.0 6.0 1899 1867 B 51 VAL HB B 48 ARG HBx 1.0 0.0 6.0 1900 1868 A 47 THR H A 45 GLY HAy 1.0 2.0 5.4 1901 1868 A 47 THR H A 41 ALA HA 1.0 2.0 5.4 1902 1869 A 97 GLN HGy A 98 GLU H 1.0 0.0 6.0 1903 1869 A 98 GLU H A 98 GLU HGy 1.0 0.0 6.0 1904 1870 A 94 LYS HBx A 92 ASP H 1.0 2.0 5.4 1905 1870 A 92 ASP H A 89 TRP HB3 1.0 2.0 5.4 1906 1871 A 46 LEU H A 44 LEU HBx 1.0 1.7 3.3 1907 1871 A 46 LEU H A 46 LEU HG 1.0 1.7 3.3 1908 1872 A 97 GLN H A 95 LYS HA 1.0 0.0 6.0 1909 1872 A 97 GLN H A 96 LYS HA 1.0 0.0 6.0 1910 1873 A 95 LYS HBx A 97 GLN H 1.0 1.9 4.9 1911 1873 A 94 LYS HG2 A 97 GLN H 1.0 1.9 4.9 1912 1874 A 60 ALA H A 57 ARG HBx 1.0 1.9 5.3 1913 1874 A 60 ALA H A 58 VAL HB 1.0 1.9 5.3 1914 1875 A 55 VAL H A 52 SER HBy 1.0 1.9 4.3 1915 1875 A 53 GLN HA A 55 VAL H 1.0 1.9 4.3 1916 1876 A 52 SER H A 49 GLY HA3 1.0 1.8 4.0 1917 1876 A 48 ARG HA A 52 SER H 1.0 1.8 4.0 1918 1877 A 16 GLY H A 16 GLY HAy 1.0 1.7 3.1 1919 1877 A 15 GLN HA A 16 GLY H 1.0 1.7 3.1 1920 1878 A 88 LYS H A 86 VAL HA 1.0 1.9 4.3 1921 1878 A 88 LYS H A 85 ILE HA 1.0 1.9 4.3 1922 1879 A 23 THR HG1 A 54 ALA H 1.0 0.0 6.0 1923 1879 A 57 ARG HG2 A 54 ALA H 1.0 0.0 6.0 1924 1879 A 26 ILE HG1y A 54 ALA H 1.0 0.0 6.0 1925 1880 A 19 VAL H A 20 GLY HAx 1.0 2.0 5.0 1926 1880 A 23 THR H A 20 GLY HAx 1.0 2.0 5.0 1927 1881 A 60 ALA H A 59 TRP HA 1.0 1.9 4.9 1928 1881 A 60 ALA HA A 60 ALA H 1.0 1.9 4.9 1929 1882 A 46 LEU H A 45 GLY HAy 1.0 1.7 3.1 1930 1882 A 46 LEU H A 41 ALA HA 1.0 1.7 3.1 1931 1883 A 71 TYR H A 68 PRO HBx 1.0 2.0 5.2 1932 1883 A 69 GLU HBx A 71 TYR H 1.0 2.0 5.2 1933 1884 A 37 GLN HBx A 40 PHE H 1.0 2.0 5.8 1934 1884 A 40 PHE H A 36 PRO HB3 1.0 2.0 5.8 1935 1885 A 92 ASP HBx A 89 TRP H 1.0 2.0 4.8 1936 1885 A 92 ASP HBx A 90 GLU H 1.0 2.0 4.8 1937 1886 A 89 TRP HB3 A 90 GLU H 1.0 1.9 4.1 1938 1886 A 89 TRP HB3 A 89 TRP H 1.0 1.9 4.1 1939 1887 A 5 LEU H A 59 TRP HA 1.0 0.0 6.0 1940 1887 A 21 GLN HA A 26 ILE H 1.0 0.0 6.0 1941 1888 A 30 VAL H A 40 PHE HBy 1.0 2.0 5.6 1942 1888 A 46 LEU H A 40 PHE HBy 1.0 2.0 5.6 1943 1888 A 30 VAL H A 40 PHE HBx 1.0 2.0 5.6 1944 1889 A 53 GLN HE2y A 53 GLN HA 1.0 2.0 5.6 1945 1889 A 50 ALA HA A 53 GLN HE2y 1.0 2.0 5.6 1946 1890 A 5 LEU H A 3 LYS HA 1.0 2.0 5.8 1947 1890 A 5 LEU H A 34 GLY HAx 1.0 2.0 5.8 1948 1891 A 84 TYR H A 86 VAL HA 1.0 2.0 5.6 1949 1891 A 84 TYR H A 85 ILE HA 1.0 2.0 5.6 1950 1892 B 47 THR H B 45 GLY HAx 1.0 2.0 5.4 1951 1892 B 47 THR H B 41 ALA HA 1.0 2.0 5.4 1952 1893 B 97 GLN HGy B 98 GLU H 1.0 0.0 6.0 1953 1893 B 98 GLU H B 98 GLU HGx 1.0 0.0 6.0 1954 1894 B 94 LYS HBx B 92 ASP H 1.0 2.0 5.4 1955 1894 B 92 ASP H B 89 TRP HBy 1.0 2.0 5.4 1956 1895 B 46 LEU H B 44 LEU HBx 1.0 1.7 3.3 1957 1895 B 46 LEU H B 46 LEU HG 1.0 1.7 3.3 1958 1896 B 97 GLN H B 95 LYS HA 1.0 0.0 6.0 1959 1896 B 97 GLN H B 96 LYS HA 1.0 0.0 6.0 1960 1897 B 95 LYS HBx B 97 GLN H 1.0 1.9 4.9 1961 1897 B 94 LYS HGx B 97 GLN H 1.0 1.9 4.9 1962 1898 B 60 ALA H B 57 ARG HBx 1.0 1.9 5.3 1963 1898 B 60 ALA H B 58 VAL HB 1.0 1.9 5.3 1964 1899 B 55 VAL H B 52 SER HBy 1.0 1.9 4.3 1965 1899 B 53 GLN HA B 55 VAL H 1.0 1.9 4.3 1966 1900 B 52 SER H B 49 GLY HAy 1.0 1.8 4.0 1967 1900 B 48 ARG HA B 52 SER H 1.0 1.8 4.0 1968 1901 B 16 GLY H B 16 GLY HAy 1.0 1.7 3.1 1969 1901 B 15 GLN HA B 16 GLY H 1.0 1.7 3.1 1970 1902 B 88 LYS H B 86 VAL HA 1.0 1.9 4.3 1971 1902 B 88 LYS H B 85 ILE HA 1.0 1.9 4.3 1972 1903 B 23 THR HG1 B 54 ALA H 1.0 0.0 6.0 1973 1903 B 57 ARG HGx B 54 ALA H 1.0 0.0 6.0 1974 1903 B 26 ILE HG1y B 54 ALA H 1.0 0.0 6.0 1975 1904 B 19 VAL H B 20 GLY HAx 1.0 2.0 5.0 1976 1904 B 23 THR H B 20 GLY HAx 1.0 2.0 5.0 1977 1905 B 60 ALA H B 59 TRP HA 1.0 1.9 4.9 1978 1905 B 60 ALA HA B 60 ALA H 1.0 1.9 4.9 1979 1906 B 46 LEU H B 45 GLY HAx 1.0 1.7 3.1 1980 1906 B 46 LEU H B 41 ALA HA 1.0 1.7 3.1 1981 1907 B 71 TYR H B 68 PRO HBx 1.0 2.0 5.2 1982 1907 B 69 GLU HBx B 71 TYR H 1.0 2.0 5.2 1983 1908 B 37 GLN HBx B 40 PHE H 1.0 2.0 5.8 1984 1908 B 40 PHE H B 36 PRO HBy 1.0 2.0 5.8 1985 1909 B 92 ASP HBx B 89 TRP H 1.0 2.0 4.8 1986 1909 B 92 ASP HBx B 90 GLU H 1.0 2.0 4.8 1987 1910 B 89 TRP HBy B 90 GLU H 1.0 1.9 4.1 1988 1910 B 89 TRP HBy B 89 TRP H 1.0 1.9 4.1 1989 1911 B 5 LEU H B 59 TRP HA 1.0 0.0 6.0 1990 1911 B 21 GLN HA B 26 ILE H 1.0 0.0 6.0 1991 1912 B 30 VAL H B 40 PHE HBy 1.0 2.0 5.6 1992 1912 B 46 LEU H B 40 PHE HBy 1.0 2.0 5.6 1993 1912 B 30 VAL H B 40 PHE HBx 1.0 2.0 5.6 1994 1913 B 53 GLN HE2y B 53 GLN HA 1.0 2.0 5.6 1995 1913 B 50 ALA HA B 53 GLN HE2y 1.0 2.0 5.6 1996 1914 B 5 LEU H B 3 LYS HA 1.0 2.0 5.8 1997 1914 B 5 LEU H B 34 GLY HAx 1.0 2.0 5.8 1998 1915 B 84 TYR H B 86 VAL HA 1.0 2.0 5.6 1999 1915 B 84 TYR H B 85 ILE HA 1.0 2.0 5.6 2000 1916 A 8 SER HA A 7 GLU HBy 1.0 0.0 6.0 2001 1916 A 8 SER HA A 11 GLN HBy 1.0 0.0 6.0 2002 1917 A 95 LYS HBy A 95 LYS HA 1.0 1.5 2.7 2003 1917 A 94 LYS HBx A 94 LYS HA 1.0 1.5 2.7 2004 1918 A 22 GLN HA A 25 GLU HBx 1.0 1.6 2.8 2005 1918 A 53 GLN HA A 53 GLN HBx 1.0 1.6 2.8 2006 1919 A 54 ALA HA A 53 GLN HBx 1.0 1.7 3.3 2007 1919 A 50 ALA HA A 53 GLN HBx 1.0 1.7 3.3 2008 1920 A 95 LYS HA A 99 THR HA 1.0 0.0 6.0 2009 1920 A 101 ARG HA A 99 THR HA 1.0 0.0 6.0 2010 1921 A 18 GLU HG3 A 17 LEU HG 1.0 0.0 6.0 2011 1921 A 57 ARG HBy A 17 LEU HG 1.0 0.0 6.0 2012 1922 A 15 GLN HA A 17 LEU HBy 1.0 0.0 6.0 2013 1922 A 16 GLY HAy A 17 LEU HBy 1.0 0.0 6.0 2014 1923 B 8 SER HA B 7 GLU HBy 1.0 0.0 6.0 2015 1923 B 8 SER HA B 11 GLN HBy 1.0 0.0 6.0 2016 1924 B 95 LYS HBy B 95 LYS HA 1.0 1.5 2.7 2017 1924 B 94 LYS HBx B 94 LYS HA 1.0 1.5 2.7 2018 1925 B 22 GLN HA B 25 GLU HBx 1.0 1.6 2.8 2019 1925 B 53 GLN HA B 53 GLN HBy 1.0 1.6 2.8 2020 1926 B 54 ALA HA B 53 GLN HBy 1.0 1.7 3.3 2021 1926 B 50 ALA HA B 53 GLN HBy 1.0 1.7 3.3 2022 1927 B 95 LYS HA B 99 THR HA 1.0 0.0 6.0 2023 1927 B 101 ARG HA B 99 THR HA 1.0 0.0 6.0 2024 1928 B 18 GLU HGy B 17 LEU HG 1.0 0.0 6.0 2025 1928 B 57 ARG HBy B 17 LEU HG 1.0 0.0 6.0 2026 1929 B 15 GLN HA B 17 LEU HBx 1.0 0.0 6.0 2027 1929 B 16 GLY HAy B 17 LEU HBx 1.0 0.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _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 50 ALA H A 50 ALA HA 1.0 1.7 3.5 2 2 A 50 ALA H A 47 THR HG1 1.0 1.9 4.7 3 3 A 78 LEU H A 77 VAL HB 1.0 2.0 5.4 4 4 A 15 GLN H A 13 ALA HA 1.0 2.0 5.0 5 5 A 37 GLN H A 37 GLN HBx 1.0 1.8 3.8 6 6 A 67 LEU H A 68 PRO HGy 1.0 0.0 6.0 7 7 A 13 ALA HA A 14 ILE H 1.0 1.9 4.5 8 8 A 34 GLY H A 4 ARG HGx 1.0 1.9 4.5 9 9 A 29 GLY H A 28 ARG HGx 1.0 2.0 5.4 10 10 A 20 GLY H A 23 THR HG1 1.0 2.0 5.2 11 11 A 45 GLY H A 43 SER HA 1.0 2.0 5.2 12 12 A 39 THR H A 39 THR HG1 1.0 1.8 3.6 13 13 A 6 THR H A 6 THR HA 1.0 1.9 4.3 14 14 A 42 THR H A 42 THR HG1 1.0 1.8 3.6 15 15 A 97 GLN HE2y A 97 GLN HGy 1.0 1.9 4.3 16 16 A 97 GLN HGy A 97 GLN HE2x 1.0 1.9 4.7 17 17 A 97 GLN HE2x A 94 LYS HG2 1.0 0.0 6.0 18 18 A 53 GLN HE2y A 53 GLN HGy 1.0 1.9 4.1 19 19 A 53 GLN HGy A 53 GLN HE2x 1.0 1.9 4.7 20 20 A 53 GLN HE2y A 53 GLN HGx 1.0 1.9 4.7 21 21 A 53 GLN HE2x A 53 GLN HGx 1.0 2.0 5.0 22 22 A 70 GLY H A 70 GLY HAx 1.0 1.8 3.6 23 23 A 70 GLY H A 69 GLU HG3 1.0 1.9 4.3 24 24 A 15 GLN HE2y A 15 GLN HGy 1.0 1.8 3.6 25 25 A 15 GLN HGy A 15 GLN HE2x 1.0 0.0 6.0 26 26 A 6 THR HA A 8 SER H 1.0 2.0 4.6 27 27 A 8 SER H A 7 GLU HGy 1.0 1.9 4.9 28 28 A 8 SER H A 6 THR HG1 1.0 1.9 4.5 29 29 A 91 ALA H A 92 ASP HBx 1.0 1.9 4.7 30 30 A 91 ALA H A 90 GLU HB3 1.0 2.0 4.4 31 31 A 6 THR HG1 A 9 GLN H 1.0 2.0 4.6 32 32 A 35 LYS H A 29 GLY HAy 1.0 0.0 6.0 33 33 A 4 ARG HGx A 35 LYS H 1.0 0.0 6.0 34 34 A 69 GLU H A 69 GLU HA 1.0 1.8 3.6 35 35 A 69 GLU HG3 A 69 GLU H 1.0 0.0 6.0 36 36 A 69 GLU H A 68 PRO HBy 1.0 0.0 6.0 37 37 A 69 GLU H A 69 GLU HBy 1.0 1.7 3.3 38 38 A 69 GLU H A 69 GLU HBx 1.0 1.7 3.3 39 39 A 69 GLU H A 68 PRO HGx 1.0 0.0 6.0 40 40 A 93 ALA H A 91 ALA HA 1.0 2.0 4.6 41 41 A 69 GLU HA A 71 TYR H 1.0 1.9 4.3 42 42 A 93 ALA H A 89 TRP HA 1.0 2.0 5.2 43 43 A 93 ALA H A 92 ASP HBy 1.0 1.8 4.0 44 44 A 92 ASP HBx A 93 ALA H 1.0 1.8 4.0 45 45 A 93 ALA H A 94 LYS HBx 1.0 0.0 6.0 46 46 A 4 ARG H A 59 TRP HH2 1.0 1.9 4.3 47 47 A 6 THR HA A 7 GLU H 1.0 1.7 3.3 48 48 A 41 ALA H A 42 THR HB 1.0 2.0 5.4 49 49 A 39 THR HG1 A 40 PHE H 1.0 1.9 3.9 50 50 A 98 GLU H A 98 GLU HGx 1.0 0.0 6.0 51 51 A 98 GLU H A 98 GLU HBx 1.0 1.6 3.0 52 52 A 98 GLU H A 99 THR H 1.0 0.0 6.0 53 53 A 48 ARG H A 47 THR HB 1.0 1.8 3.6 54 54 A 48 ARG H A 47 THR HA 1.0 1.8 3.4 55 55 A 48 ARG H A 48 ARG HA 1.0 1.8 4.0 56 56 A 48 ARG H A 48 ARG HBy 1.0 1.8 3.6 57 57 A 48 ARG H A 48 ARG HG2 1.0 1.9 4.5 58 58 A 47 THR HG1 A 48 ARG H 1.0 0.0 6.0 59 59 A 46 LEU H A 46 LEU HA 1.0 1.8 4.0 60 60 A 96 LYS H A 92 ASP HA 1.0 2.0 5.4 61 61 A 96 LYS H A 93 ALA HA 1.0 1.8 4.2 62 62 A 92 ASP HBx A 92 ASP H 1.0 1.8 3.6 63 63 A 92 ASP HBy A 92 ASP H 1.0 1.8 3.6 64 64 A 28 ARG H A 28 ARG HB3 1.0 1.7 3.5 65 65 A 28 ARG H A 26 ILE HG1y 1.0 0.0 6.0 66 66 A 28 ARG HGx A 28 ARG H 1.0 2.0 5.0 67 67 A 28 ARG H A 10 PHE HZ 1.0 1.9 4.1 68 68 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.8 69 69 A 45 GLY H A 46 LEU H 1.0 1.7 3.3 70 70 A 93 ALA HA A 95 LYS H 1.0 2.0 5.0 71 71 A 95 LYS H A 95 LYS HBy 1.0 0.0 6.0 72 72 A 95 LYS H A 95 LYS HBx 1.0 1.8 3.8 73 73 A 95 LYS H A 95 LYS HGy 1.0 0.0 6.0 74 74 A 95 LYS H A 94 LYS HD3 1.0 0.0 6.0 75 75 A 61 ALA H A 58 VAL HA 1.0 1.9 4.3 76 76 A 61 ALA H A 62 PHE HBx 1.0 2.0 5.4 77 77 A 61 ALA H A 61 ALA HA 1.0 1.8 3.4 78 78 A 61 ALA H A 60 ALA HA 1.0 1.9 4.1 79 79 A 61 ALA H A 62 PHE H 1.0 1.8 3.8 80 80 A 61 ALA H A 60 ALA H 1.0 1.8 3.8 81 81 A 21 GLN H A 19 VAL HB 1.0 0.0 6.0 82 82 A 25 GLU H A 25 GLU HGx 1.0 1.9 3.9 83 83 A 25 GLU H A 25 GLU HBy 1.0 1.7 3.3 84 84 A 25 GLU H A 24 ILE HG1x 1.0 1.9 4.5 85 84 A 25 GLU H A 24 ILE HG1y 1.0 1.9 4.5 86 85 A 98 GLU H A 97 GLN H 1.0 1.8 3.6 87 86 A 95 LYS H A 97 GLN H 1.0 2.0 5.4 88 87 A 97 GLN H A 98 GLU HA 1.0 1.9 4.9 89 88 A 97 GLN HGy A 97 GLN H 1.0 1.8 3.6 90 89 A 98 GLU HBx A 97 GLN H 1.0 0.0 6.0 91 90 A 51 VAL H A 52 SER H 1.0 1.8 3.6 92 91 A 48 ARG HA A 51 VAL H 1.0 1.9 4.1 93 92 A 39 THR HG1 A 38 ALA H 1.0 1.9 5.3 94 93 A 32 VAL H A 31 LEU H 1.0 1.9 4.1 95 94 A 32 VAL H A 5 LEU H 1.0 0.0 6.0 96 95 A 32 VAL H A 28 ARG HA 1.0 1.9 4.3 97 96 A 28 ARG HB3 A 32 VAL H 1.0 0.0 6.0 98 97 A 62 PHE H A 63 GLU HBy 1.0 2.0 5.0 99 98 A 57 ARG H A 57 ARG HG2 1.0 2.0 5.4 100 99 A 57 ARG H A 57 ARG HBy 1.0 1.8 3.4 101 100 A 57 ARG H A 57 ARG HBx 1.0 1.8 3.4 102 101 A 57 ARG H A 56 HIS HA 1.0 2.0 4.4 103 102 A 57 ARG H A 54 ALA HA 1.0 1.9 4.1 104 103 A 57 ARG H A 57 ARG HA 1.0 1.8 3.4 105 104 A 57 ARG H A 53 GLN H 1.0 0.0 6.0 106 105 A 57 ARG H A 58 VAL H 1.0 1.8 3.8 107 106 A 66 ASN H A 66 ASN HD2y 1.0 2.0 4.6 108 107 A 66 ASN H A 66 ASN HA 1.0 1.7 3.5 109 108 A 66 ASN H A 66 ASN HBy 1.0 1.8 3.8 110 109 A 66 ASN H A 66 ASN HBx 1.0 1.8 3.6 111 110 A 66 ASN H A 65 LYS HG2 1.0 2.0 5.0 112 111 A 44 LEU H A 44 LEU HBy 1.0 0.0 6.0 113 112 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.6 114 113 A 46 LEU H A 44 LEU H 1.0 1.9 4.7 115 114 A 63 GLU HBy A 64 ASP H 1.0 1.9 4.1 116 115 A 64 ASP H A 63 GLU HBx 1.0 2.0 4.6 117 116 A 66 ASN HA A 65 LYS H 1.0 2.0 5.4 118 117 A 66 ASN HBx A 65 LYS H 1.0 2.0 5.4 119 118 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.6 120 119 A 65 LYS H A 65 LYS HBx 1.0 1.7 3.5 121 120 A 65 LYS HG2 A 65 LYS H 1.0 0.0 6.0 122 121 A 56 HIS HA A 58 VAL H 1.0 2.0 5.4 123 122 A 54 ALA HA A 58 VAL H 1.0 1.9 5.1 124 123 A 58 VAL HA A 58 VAL H 1.0 1.8 4.0 125 124 A 58 VAL H A 55 VAL HA 1.0 2.0 5.0 126 125 A 58 VAL H A 56 HIS HBx 1.0 0.0 6.0 127 126 A 57 ARG HG2 A 58 VAL H 1.0 1.9 4.7 128 127 A 87 ARG H A 86 VAL HB 1.0 1.9 4.3 129 128 A 87 ARG H A 87 ARG HB3 1.0 1.8 3.4 130 129 A 87 ARG H A 85 ILE HB 1.0 0.0 6.0 131 130 A 56 HIS H A 53 GLN HA 1.0 1.9 4.1 132 131 A 4 ARG HGx A 33 ASP H 1.0 2.0 5.4 133 132 A 43 SER H A 43 SER HBx 1.0 1.7 3.1 134 133 A 42 THR HG1 A 43 SER H 1.0 0.0 6.0 135 134 A 11 GLN H A 10 PHE HBx 1.0 1.9 4.5 136 135 A 11 GLN H A 10 PHE HBy 1.0 1.9 4.1 137 136 A 84 TYR H A 84 TYR HBy 1.0 1.8 3.6 138 137 A 84 TYR H A 84 TYR HBx 1.0 1.8 3.6 139 138 A 84 TYR H A 81 HIS HA 1.0 1.9 4.9 140 139 A 84 TYR H A 84 TYR HA 1.0 1.8 3.8 141 140 A 84 TYR H A 83 ALA HA 1.0 1.9 4.5 142 141 A 83 ALA H A 84 TYR H 1.0 1.9 4.1 143 142 A 87 ARG H A 84 TYR H 1.0 0.0 6.0 144 143 A 84 TYR H A 85 ILE H 1.0 1.9 4.5 145 144 A 99 THR H A 98 GLU HBy 1.0 1.9 4.3 146 145 A 99 THR H A 100 LYS H 1.0 1.9 3.9 147 146 A 100 LYS H A 99 THR HB 1.0 1.9 4.1 148 147 A 49 GLY H A 52 SER HBx 1.0 2.0 6.0 149 148 A 58 VAL HA A 57 ARG H 1.0 2.0 6.0 150 149 A 64 ASP H A 63 GLU H 1.0 1.9 4.1 151 150 A 75 THR H A 74 VAL H 1.0 2.0 5.2 152 151 A 54 ALA HA A 54 ALA H 1.0 1.8 3.4 153 152 A 52 SER HBx A 54 ALA H 1.0 0.0 6.0 154 153 A 54 ALA H A 51 VAL HA 1.0 1.9 4.5 155 154 A 53 GLN HGy A 54 ALA H 1.0 2.0 5.8 156 155 A 53 GLN HGx A 54 ALA H 1.0 2.0 5.6 157 156 A 54 ALA H A 53 GLN HBx 1.0 1.8 3.6 158 157 A 88 LYS H A 89 TRP HB3 1.0 0.0 6.0 159 158 A 88 LYS H A 88 LYS HB3 1.0 1.8 3.6 160 159 A 19 VAL H A 19 VAL HA 1.0 1.7 3.5 161 160 A 23 THR H A 23 THR HB 1.0 1.7 3.3 162 161 A 23 THR H A 21 GLN HA 1.0 2.0 5.4 163 162 A 23 THR H A 23 THR HA 1.0 1.8 3.8 164 163 A 94 LYS H A 94 LYS HA 1.0 1.8 3.4 165 164 A 78 LEU H B 72 ALA H 1.0 1.9 5.1 166 165 A 10 PHE HBy A 10 PHE H 1.0 1.7 3.3 167 166 A 60 ALA H A 59 TRP HE3 1.0 2.0 5.8 168 167 A 87 ARG H A 85 ILE H 1.0 2.0 6.0 169 168 A 91 ALA H A 88 LYS H 1.0 2.0 6.0 170 169 A 93 ALA H A 94 LYS H 1.0 1.8 3.6 171 170 A 93 ALA H A 95 LYS H 1.0 1.9 4.3 172 171 A 6 THR H A 6 THR HB 1.0 2.0 5.0 173 172 A 11 GLN H A 10 PHE HA 1.0 1.9 4.3 174 173 A 15 GLN H A 15 GLN HA 1.0 1.8 3.6 175 174 A 33 ASP H A 34 GLY HAy 1.0 1.9 4.9 176 175 A 32 VAL H A 33 ASP HBx 1.0 2.0 6.0 177 176 A 42 THR HB A 43 SER H 1.0 1.8 3.4 178 177 A 43 SER HA A 43 SER H 1.0 1.7 3.3 179 178 A 46 LEU H A 45 GLY HAx 1.0 0.0 6.0 180 179 A 50 ALA HA A 47 THR H 1.0 2.0 5.8 181 180 A 54 ALA HA A 59 TRP H 1.0 0.0 6.0 182 181 A 61 ALA H A 62 PHE HBy 1.0 2.0 5.8 183 182 A 69 GLU HBx A 71 TYR H 1.0 0.0 6.0 184 183 A 75 THR H A 75 THR HB 1.0 1.8 3.8 185 184 A 75 THR H A 74 VAL HA 1.0 1.6 3.0 186 185 A 75 THR H A 75 THR HA 1.0 1.9 4.5 187 186 A 75 THR H A 74 VAL HB 1.0 1.8 4.0 188 187 A 75 THR H A 75 THR HG1 1.0 1.9 3.9 189 188 A 58 VAL HA A 59 TRP H 1.0 2.0 5.0 190 189 A 59 TRP H A 59 TRP HBy 1.0 1.9 5.1 191 190 A 59 TRP H A 58 VAL HB 1.0 1.8 4.0 192 191 A 56 HIS HA A 59 TRP H 1.0 1.9 4.5 193 192 A 11 GLN H A 14 ILE HG1y 1.0 2.0 5.8 194 193 A 90 GLU HB3 A 90 GLU H 1.0 1.8 4.0 195 194 A 88 LYS HB3 A 89 TRP H 1.0 1.9 4.1 196 195 A 63 GLU HBy A 59 TRP HE1 1.0 0.0 6.0 197 196 A 100 LYS H A 99 THR HG1 1.0 0.0 6.0 198 197 A 66 ASN H A 66 ASN HD2x 1.0 2.0 5.4 199 198 A 26 ILE H A 22 GLN HA 1.0 2.0 5.2 200 199 A 94 LYS HBx A 94 LYS H 1.0 1.6 3.0 201 200 A 92 ASP HBx A 94 LYS H 1.0 2.0 5.8 202 201 A 30 VAL H A 27 ALA HA 1.0 1.9 3.9 203 202 A 66 ASN HD2y A 66 ASN HBy 1.0 1.9 4.3 204 203 A 66 ASN HD2y A 66 ASN HA 1.0 2.0 5.4 205 204 A 66 ASN HA A 66 ASN HD2x 1.0 2.0 5.6 206 205 A 4 ARG HE A 4 ARG HDx 1.0 2.0 6.0 207 206 A 4 ARG HE A 4 ARG HBx 1.0 2.0 6.0 208 206 A 4 ARG HE A 4 ARG HGy 1.0 2.0 6.0 209 207 A 81 HIS H A 80 GLU HB3 1.0 2.0 5.8 210 208 A 5 LEU H A 31 LEU HA 1.0 2.0 4.6 211 209 A 5 LEU H A 4 ARG HDx 1.0 2.0 6.0 212 210 A 96 LYS H A 95 LYS HE2 1.0 2.0 6.0 213 211 A 62 PHE H A 60 ALA H 1.0 2.0 6.0 214 212 A 82 GLN H A 81 HIS H 1.0 2.0 6.0 215 213 A 58 VAL HA A 60 ALA H 1.0 2.0 5.8 216 214 B 50 ALA H B 50 ALA HA 1.0 1.7 3.5 217 215 B 50 ALA H B 47 THR HG1 1.0 1.9 4.7 218 216 B 78 LEU H B 77 VAL HB 1.0 2.0 5.4 219 217 B 15 GLN H B 13 ALA HA 1.0 2.0 5.0 220 218 B 37 GLN H B 37 GLN HBx 1.0 1.8 3.8 221 219 B 67 LEU H B 68 PRO HGy 1.0 0.0 6.0 222 220 B 13 ALA HA B 14 ILE H 1.0 1.9 4.5 223 221 B 34 GLY H B 4 ARG HGx 1.0 1.9 4.5 224 222 B 29 GLY H B 28 ARG HGx 1.0 2.0 5.4 225 223 B 20 GLY H B 23 THR HG1 1.0 2.0 5.2 226 224 B 45 GLY H B 43 SER HA 1.0 2.0 5.2 227 225 B 39 THR H B 39 THR HG1 1.0 1.8 3.6 228 226 B 6 THR H B 6 THR HA 1.0 1.9 4.3 229 227 B 42 THR H B 42 THR HG1 1.0 1.8 3.6 230 228 B 97 GLN HE2x B 97 GLN HGy 1.0 1.9 4.3 231 229 B 97 GLN HGy B 97 GLN HE2y 1.0 1.9 4.7 232 230 B 97 GLN HE2y B 94 LYS HGx 1.0 0.0 6.0 233 231 B 53 GLN HE2y B 53 GLN HGy 1.0 1.9 4.1 234 232 B 53 GLN HGy B 53 GLN HE2x 1.0 1.9 4.7 235 233 B 53 GLN HE2y B 53 GLN HGx 1.0 1.9 4.7 236 234 B 53 GLN HE2x B 53 GLN HGx 1.0 2.0 5.0 237 235 B 70 GLY H B 70 GLY HAy 1.0 1.8 3.6 238 236 B 70 GLY H B 69 GLU HGy 1.0 1.9 4.3 239 237 B 15 GLN HE2x B 15 GLN HGx 1.0 1.8 3.6 240 238 B 15 GLN HGx B 15 GLN HE2y 1.0 0.0 6.0 241 239 B 6 THR HA B 8 SER H 1.0 2.0 4.6 242 240 B 8 SER H B 7 GLU HGx 1.0 1.9 4.9 243 241 B 8 SER H B 6 THR HG1 1.0 1.9 4.5 244 242 B 91 ALA H B 92 ASP HBx 1.0 1.9 4.7 245 243 B 91 ALA H B 90 GLU HBy 1.0 2.0 4.4 246 244 B 6 THR HG1 B 9 GLN H 1.0 2.0 4.6 247 245 B 35 LYS H B 29 GLY HAy 1.0 0.0 6.0 248 246 B 4 ARG HGx B 35 LYS H 1.0 0.0 6.0 249 247 B 69 GLU H B 69 GLU HA 1.0 1.8 3.6 250 248 B 69 GLU HGy B 69 GLU H 1.0 0.0 6.0 251 249 B 69 GLU H B 68 PRO HBy 1.0 0.0 6.0 252 250 B 69 GLU H B 69 GLU HBy 1.0 1.7 3.3 253 251 B 69 GLU H B 69 GLU HBx 1.0 1.7 3.3 254 252 B 69 GLU H B 68 PRO HGx 1.0 0.0 6.0 255 253 B 93 ALA H B 91 ALA HA 1.0 2.0 4.6 256 254 B 69 GLU HA B 71 TYR H 1.0 1.9 4.3 257 255 B 93 ALA H B 89 TRP HA 1.0 2.0 5.2 258 256 B 93 ALA H B 92 ASP HBy 1.0 1.8 4.0 259 257 B 92 ASP HBx B 93 ALA H 1.0 1.8 4.0 260 258 B 93 ALA H B 94 LYS HBx 1.0 0.0 6.0 261 259 B 4 ARG H B 59 TRP HH2 1.0 1.9 4.3 262 260 B 6 THR HA B 7 GLU H 1.0 1.7 3.3 263 261 B 41 ALA H B 42 THR HB 1.0 2.0 5.4 264 262 B 39 THR HG1 B 40 PHE H 1.0 1.9 3.9 265 263 B 98 GLU H B 98 GLU HGy 1.0 0.0 6.0 266 264 B 98 GLU H B 98 GLU HBx 1.0 1.6 3.0 267 265 B 98 GLU H B 99 THR H 1.0 0.0 6.0 268 266 B 48 ARG H B 47 THR HB 1.0 1.8 3.6 269 267 B 48 ARG H B 47 THR HA 1.0 1.8 3.4 270 268 B 48 ARG H B 48 ARG HA 1.0 1.8 4.0 271 269 B 48 ARG H B 48 ARG HBy 1.0 1.8 3.6 272 270 B 48 ARG H B 48 ARG HGx 1.0 1.9 4.5 273 271 B 47 THR HG1 B 48 ARG H 1.0 0.0 6.0 274 272 B 46 LEU H B 46 LEU HA 1.0 1.8 4.0 275 273 B 96 LYS H B 92 ASP HA 1.0 2.0 5.4 276 274 B 96 LYS H B 93 ALA HA 1.0 1.8 4.2 277 275 B 92 ASP HBx B 92 ASP H 1.0 1.8 3.6 278 276 B 92 ASP HBy B 92 ASP H 1.0 1.8 3.6 279 277 B 28 ARG H B 28 ARG HBy 1.0 1.7 3.5 280 278 B 28 ARG H B 26 ILE HG1y 1.0 0.0 6.0 281 279 B 28 ARG HGx B 28 ARG H 1.0 2.0 5.0 282 280 B 28 ARG H B 10 PHE HZ 1.0 1.9 4.1 283 281 B 46 LEU H B 46 LEU HBy 1.0 1.8 3.8 284 282 B 45 GLY H B 46 LEU H 1.0 1.7 3.3 285 283 B 93 ALA HA B 95 LYS H 1.0 2.0 5.0 286 284 B 95 LYS H B 95 LYS HBy 1.0 0.0 6.0 287 285 B 95 LYS H B 95 LYS HBx 1.0 1.8 3.8 288 286 B 95 LYS H B 95 LYS HGy 1.0 0.0 6.0 289 287 B 95 LYS H B 94 LYS HDy 1.0 0.0 6.0 290 288 B 61 ALA H B 58 VAL HA 1.0 1.9 4.3 291 289 B 61 ALA H B 62 PHE HBx 1.0 2.0 5.4 292 290 B 61 ALA H B 61 ALA HA 1.0 1.8 3.4 293 291 B 61 ALA H B 60 ALA HA 1.0 1.9 4.1 294 292 B 61 ALA H B 62 PHE H 1.0 1.8 3.8 295 293 B 61 ALA H B 60 ALA H 1.0 1.8 3.8 296 294 B 21 GLN H B 19 VAL HB 1.0 0.0 6.0 297 295 B 25 GLU H B 25 GLU HGx 1.0 1.9 3.9 298 296 B 25 GLU H B 25 GLU HBy 1.0 1.7 3.3 299 297 B 25 GLU H B 24 ILE HG1x 1.0 1.9 4.5 300 297 B 25 GLU H B 24 ILE HG1y 1.0 1.9 4.5 301 298 B 98 GLU H B 97 GLN H 1.0 1.8 3.6 302 299 B 95 LYS H B 97 GLN H 1.0 2.0 5.4 303 300 B 97 GLN H B 98 GLU HA 1.0 1.9 4.9 304 301 B 97 GLN HGy B 97 GLN H 1.0 1.8 3.6 305 302 B 98 GLU HBx B 97 GLN H 1.0 0.0 6.0 306 303 B 51 VAL H B 52 SER H 1.0 1.8 3.6 307 304 B 48 ARG HA B 51 VAL H 1.0 1.9 4.1 308 305 B 39 THR HG1 B 38 ALA H 1.0 1.9 5.3 309 306 B 32 VAL H B 31 LEU H 1.0 1.9 4.1 310 307 B 32 VAL H B 5 LEU H 1.0 0.0 6.0 311 308 B 32 VAL H B 28 ARG HA 1.0 1.9 4.3 312 309 B 28 ARG HBy B 32 VAL H 1.0 0.0 6.0 313 310 B 62 PHE H B 63 GLU HBy 1.0 2.0 5.0 314 311 B 57 ARG H B 57 ARG HGx 1.0 2.0 5.4 315 312 B 57 ARG H B 57 ARG HBy 1.0 1.8 3.4 316 313 B 57 ARG H B 57 ARG HBx 1.0 1.8 3.4 317 314 B 57 ARG H B 56 HIS HA 1.0 2.0 4.4 318 315 B 57 ARG H B 54 ALA HA 1.0 1.9 4.1 319 316 B 57 ARG H B 57 ARG HA 1.0 1.8 3.4 320 317 B 57 ARG H B 53 GLN H 1.0 0.0 6.0 321 318 B 57 ARG H B 58 VAL H 1.0 1.8 3.8 322 319 B 66 ASN H B 66 ASN HD2x 1.0 2.0 4.6 323 320 B 66 ASN H B 66 ASN HA 1.0 1.7 3.5 324 321 B 66 ASN H B 66 ASN HBy 1.0 1.8 3.8 325 322 B 66 ASN H B 66 ASN HBx 1.0 1.8 3.6 326 323 B 66 ASN H B 65 LYS HGx 1.0 2.0 5.0 327 324 B 44 LEU H B 44 LEU HBy 1.0 0.0 6.0 328 325 B 44 LEU H B 44 LEU HBx 1.0 1.8 3.6 329 326 B 46 LEU H B 44 LEU H 1.0 1.9 4.7 330 327 B 63 GLU HBy B 64 ASP H 1.0 1.9 4.1 331 328 B 64 ASP H B 63 GLU HBx 1.0 2.0 4.6 332 329 B 66 ASN HA B 65 LYS H 1.0 2.0 5.4 333 330 B 66 ASN HBx B 65 LYS H 1.0 2.0 5.4 334 331 B 65 LYS H B 65 LYS HBy 1.0 1.8 3.6 335 332 B 65 LYS H B 65 LYS HBx 1.0 1.7 3.5 336 333 B 65 LYS HGx B 65 LYS H 1.0 0.0 6.0 337 334 B 56 HIS HA B 58 VAL H 1.0 2.0 5.4 338 335 B 54 ALA HA B 58 VAL H 1.0 1.9 5.1 339 336 B 58 VAL HA B 58 VAL H 1.0 1.8 4.0 340 337 B 58 VAL H B 55 VAL HA 1.0 2.0 5.0 341 338 B 58 VAL H B 56 HIS HBx 1.0 0.0 6.0 342 339 B 57 ARG HGx B 58 VAL H 1.0 1.9 4.7 343 340 B 87 ARG H B 86 VAL HB 1.0 1.9 4.3 344 341 B 87 ARG H B 87 ARG HBy 1.0 1.8 3.4 345 342 B 87 ARG H B 85 ILE HB 1.0 0.0 6.0 346 343 B 56 HIS H B 53 GLN HA 1.0 1.9 4.1 347 344 B 4 ARG HGx B 33 ASP H 1.0 2.0 5.4 348 345 B 43 SER H B 43 SER HBx 1.0 1.7 3.1 349 346 B 42 THR HG1 B 43 SER H 1.0 0.0 6.0 350 347 B 11 GLN H B 10 PHE HBy 1.0 1.9 4.5 351 348 B 11 GLN H B 10 PHE HBx 1.0 1.9 4.1 352 349 B 84 TYR H B 84 TYR HBx 1.0 1.8 3.6 353 350 B 84 TYR H B 84 TYR HBy 1.0 1.8 3.6 354 351 B 84 TYR H B 81 HIS HA 1.0 1.9 4.9 355 352 B 84 TYR H B 84 TYR HA 1.0 1.8 3.8 356 353 B 84 TYR H B 83 ALA HA 1.0 1.9 4.5 357 354 B 83 ALA H B 84 TYR H 1.0 1.9 4.1 358 355 B 87 ARG H B 84 TYR H 1.0 0.0 6.0 359 356 B 84 TYR H B 85 ILE H 1.0 1.9 4.5 360 357 B 99 THR H B 98 GLU HBy 1.0 1.9 4.3 361 358 B 99 THR H B 100 LYS H 1.0 1.9 3.9 362 359 B 100 LYS H B 99 THR HB 1.0 1.9 4.1 363 360 B 49 GLY H B 52 SER HBx 1.0 2.0 6.0 364 361 B 58 VAL HA B 57 ARG H 1.0 2.0 6.0 365 362 B 64 ASP H B 63 GLU H 1.0 1.9 4.1 366 363 B 74 VAL H B 75 THR H 1.0 2.0 5.2 367 364 B 54 ALA HA B 54 ALA H 1.0 1.8 3.4 368 365 B 52 SER HBx B 54 ALA H 1.0 0.0 6.0 369 366 B 54 ALA H B 51 VAL HA 1.0 1.9 4.5 370 367 B 53 GLN HGy B 54 ALA H 1.0 2.0 5.8 371 368 B 53 GLN HGx B 54 ALA H 1.0 2.0 5.6 372 369 B 54 ALA H B 53 GLN HBy 1.0 1.8 3.6 373 370 B 88 LYS H B 89 TRP HBy 1.0 0.0 6.0 374 371 B 88 LYS H B 88 LYS HBy 1.0 1.8 3.6 375 372 B 19 VAL H B 19 VAL HA 1.0 1.7 3.5 376 373 B 23 THR H B 23 THR HB 1.0 1.7 3.3 377 374 B 23 THR H B 21 GLN HA 1.0 2.0 5.4 378 375 B 23 THR H B 23 THR HA 1.0 1.8 3.8 379 376 B 94 LYS H B 94 LYS HA 1.0 1.8 3.4 380 377 B 78 LEU H A 72 ALA H 1.0 1.9 5.1 381 378 B 10 PHE HBx B 10 PHE H 1.0 1.7 3.3 382 379 B 60 ALA H B 59 TRP HE3 1.0 2.0 5.8 383 380 B 87 ARG H B 85 ILE H 1.0 2.0 6.0 384 381 B 91 ALA H B 88 LYS H 1.0 2.0 6.0 385 382 B 93 ALA H B 94 LYS H 1.0 1.8 3.6 386 383 B 93 ALA H B 95 LYS H 1.0 1.9 4.3 387 384 B 6 THR H B 6 THR HB 1.0 2.0 5.0 388 385 B 11 GLN H B 10 PHE HA 1.0 1.9 4.3 389 386 B 15 GLN H B 15 GLN HA 1.0 1.8 3.6 390 387 B 33 ASP H B 34 GLY HAy 1.0 1.9 4.9 391 388 B 32 VAL H B 33 ASP HBy 1.0 2.0 6.0 392 389 B 42 THR HB B 43 SER H 1.0 1.8 3.4 393 390 B 43 SER HA B 43 SER H 1.0 1.7 3.3 394 391 B 46 LEU H B 45 GLY HAy 1.0 0.0 6.0 395 392 B 50 ALA HA B 47 THR H 1.0 2.0 5.8 396 393 B 54 ALA HA B 59 TRP H 1.0 0.0 6.0 397 394 B 61 ALA H B 62 PHE HBy 1.0 2.0 5.8 398 395 B 69 GLU HBx B 71 TYR H 1.0 0.0 6.0 399 396 B 75 THR H B 75 THR HB 1.0 1.8 3.8 400 397 B 75 THR H B 74 VAL HA 1.0 1.6 3.0 401 398 B 75 THR H B 75 THR HA 1.0 1.9 4.5 402 399 B 75 THR H B 74 VAL HB 1.0 1.8 4.0 403 400 B 75 THR H B 75 THR HG1 1.0 1.9 3.9 404 401 B 58 VAL HA B 59 TRP H 1.0 2.0 5.0 405 402 B 59 TRP H B 59 TRP HBy 1.0 1.9 5.1 406 403 B 59 TRP H B 58 VAL HB 1.0 1.8 4.0 407 404 B 56 HIS HA B 59 TRP H 1.0 1.9 4.5 408 405 B 11 GLN H B 14 ILE HG1x 1.0 2.0 5.8 409 406 B 90 GLU HBy B 90 GLU H 1.0 1.8 4.0 410 407 B 88 LYS HBy B 89 TRP H 1.0 1.9 4.1 411 408 B 63 GLU HBy B 59 TRP HE1 1.0 0.0 6.0 412 409 B 100 LYS H B 99 THR HG1 1.0 0.0 6.0 413 410 B 66 ASN H B 66 ASN HD2y 1.0 2.0 5.4 414 411 B 26 ILE H B 22 GLN HA 1.0 2.0 5.2 415 412 B 94 LYS HBx B 94 LYS H 1.0 1.6 3.0 416 413 B 92 ASP HBx B 94 LYS H 1.0 2.0 5.8 417 414 B 30 VAL H B 27 ALA HA 1.0 1.9 3.9 418 415 B 66 ASN HD2x B 66 ASN HBy 1.0 1.9 4.3 419 416 B 66 ASN HD2x B 66 ASN HA 1.0 2.0 5.4 420 417 B 66 ASN HA B 66 ASN HD2y 1.0 2.0 5.6 421 418 B 4 ARG HE B 4 ARG HDx 1.0 2.0 6.0 422 419 B 4 ARG HE B 4 ARG HBx 1.0 2.0 6.0 423 419 B 4 ARG HE B 4 ARG HGy 1.0 2.0 6.0 424 420 B 81 HIS H B 80 GLU HBy 1.0 2.0 5.8 425 421 B 5 LEU H B 31 LEU HA 1.0 2.0 4.6 426 422 B 5 LEU H B 4 ARG HDx 1.0 2.0 6.0 427 423 B 96 LYS H B 95 LYS HEx 1.0 2.0 6.0 428 424 B 62 PHE H B 60 ALA H 1.0 2.0 6.0 429 425 B 82 GLN H B 81 HIS H 1.0 2.0 6.0 430 426 B 58 VAL HA B 60 ALA H 1.0 2.0 5.8 431 427 A 15 GLN H A 14 ILE HA 1.0 0.0 6.0 432 428 A 15 GLN H A 17 LEU H 1.0 1.9 5.3 433 429 A 101 ARG H A 101 ARG HGx 1.0 1.9 4.3 434 429 A 101 ARG H A 101 ARG HGy 1.0 1.9 4.3 435 430 A 101 ARG H A 101 ARG HGy 1.0 1.9 3.7 436 431 A 101 ARG H A 100 LYS HBy 1.0 1.9 4.5 437 432 A 101 ARG H A 101 ARG HA 1.0 1.8 3.8 438 433 A 101 ARG H A 100 LYS HA 1.0 1.6 2.8 439 434 A 100 LYS H A 101 ARG H 1.0 2.0 4.8 440 435 A 18 GLU H A 17 LEU HA 1.0 1.7 3.3 441 436 A 18 GLU H A 18 GLU HA 1.0 1.8 3.8 442 437 A 18 GLU H A 18 GLU HG3 1.0 1.9 4.1 443 438 A 18 GLU H A 18 GLU HB3 1.0 1.8 3.8 444 439 A 18 GLU H A 17 LEU HBx 1.0 1.9 4.3 445 440 A 50 ALA H A 52 SER H 1.0 1.9 5.1 446 441 A 50 ALA H A 51 VAL H 1.0 1.8 3.8 447 442 A 50 ALA H A 49 GLY HA3 1.0 1.8 3.8 448 443 A 3 LYS H A 2 LYS HA 1.0 1.6 3.0 449 444 A 3 LYS H A 3 LYS HA 1.0 1.9 4.1 450 445 A 3 LYS H A 2 LYS HBx 1.0 1.9 4.1 451 446 A 3 LYS H A 2 LYS HGy 1.0 2.0 5.4 452 447 A 3 LYS H A 3 LYS HBy 1.0 1.9 3.9 453 448 A 3 LYS H A 3 LYS HBx 1.0 1.9 4.3 454 449 A 3 LYS H A 3 LYS HD3 1.0 0.0 6.0 455 450 A 3 LYS H A 3 LYS HG2 1.0 1.9 4.7 456 451 A 15 GLN H A 14 ILE HG1y 1.0 1.9 4.3 457 452 A 15 GLN H A 14 ILE HG1x 1.0 1.9 4.1 458 453 A 15 GLN H A 15 GLN HGy 1.0 0.0 6.0 459 454 A 15 GLN H A 15 GLN HBx 1.0 1.7 2.9 460 455 A 15 GLN H A 14 ILE HB 1.0 1.9 4.7 461 456 A 15 GLN H A 14 ILE H 1.0 1.8 3.4 462 457 A 15 GLN H A 16 GLY H 1.0 1.9 5.1 463 458 A 37 GLN H A 36 PRO HA 1.0 1.8 3.8 464 459 A 67 LEU H A 66 ASN H 1.0 1.9 4.1 465 460 A 67 LEU H A 66 ASN HA 1.0 1.7 3.3 466 461 A 67 LEU H A 64 ASP HA 1.0 2.0 5.4 467 462 A 67 LEU H A 66 ASN HBy 1.0 1.9 4.9 468 463 A 67 LEU H A 66 ASN HBx 1.0 2.0 5.0 469 464 A 67 LEU H A 65 LYS HA 1.0 2.0 5.8 470 465 A 67 LEU H A 67 LEU HA 1.0 1.9 4.1 471 466 A 14 ILE H A 13 ALA H 1.0 1.9 3.9 472 467 A 14 ILE H A 14 ILE HA 1.0 1.9 3.9 473 468 A 14 ILE H A 12 GLU HBx 1.0 0.0 6.0 474 469 A 14 ILE H A 14 ILE HB 1.0 1.9 4.3 475 470 A 14 ILE H A 14 ILE HG1y 1.0 1.8 3.6 476 471 A 14 ILE H A 14 ILE HG1x 1.0 1.8 3.6 477 472 A 34 GLY H A 32 VAL H 1.0 1.9 4.7 478 473 A 34 GLY H A 32 VAL HA 1.0 2.0 5.2 479 474 A 34 GLY H A 33 ASP HA 1.0 1.9 4.3 480 475 A 34 GLY H A 35 LYS HA 1.0 0.0 6.0 481 476 A 34 GLY H A 33 ASP H 1.0 1.9 3.9 482 477 A 34 GLY H A 35 LYS H 1.0 1.8 3.6 483 478 A 34 GLY H A 33 ASP HBy 1.0 1.9 4.5 484 479 A 34 GLY H A 33 ASP HBx 1.0 2.0 4.8 485 480 A 29 GLY H A 29 GLY HAx 1.0 1.8 3.6 486 481 A 29 GLY H A 28 ARG HB3 1.0 1.9 3.9 487 482 A 29 GLY H A 29 GLY HAy 1.0 1.8 3.6 488 483 A 29 GLY H A 28 ARG HA 1.0 1.9 4.7 489 484 A 29 GLY H A 26 ILE HA 1.0 1.9 5.3 490 485 A 47 THR H A 46 LEU HA 1.0 1.7 3.3 491 486 A 47 THR H A 47 THR HA 1.0 1.8 4.0 492 487 A 47 THR H A 46 LEU HBy 1.0 1.8 3.6 493 488 A 47 THR H A 46 LEU HBx 1.0 0.0 6.0 494 489 A 20 GLY H A 19 VAL H 1.0 1.9 4.3 495 490 A 45 GLY H A 46 LEU HA 1.0 2.0 5.0 496 491 A 20 GLY H A 19 VAL HA 1.0 1.7 3.1 497 492 A 20 GLY H A 18 GLU HA 1.0 0.0 6.0 498 493 A 20 GLY H A 20 GLY HAy 1.0 1.8 3.6 499 494 A 20 GLY H A 20 GLY HAx 1.0 1.8 3.4 500 495 A 20 GLY H A 19 VAL HB 1.0 1.8 3.6 501 496 A 45 GLY H A 43 SER H 1.0 2.0 5.4 502 497 A 45 GLY H A 44 LEU HA 1.0 1.9 4.1 503 498 A 45 GLY H A 45 GLY HAy 1.0 1.6 2.8 504 499 A 45 GLY H A 44 LEU HBy 1.0 1.9 4.3 505 500 A 45 GLY H A 44 LEU HBx 1.0 1.9 4.1 506 501 A 45 GLY H A 46 LEU HBx 1.0 1.9 4.9 507 502 A 39 THR H A 38 ALA H 1.0 1.9 4.5 508 503 A 39 THR H A 41 ALA H 1.0 2.0 5.0 509 504 A 39 THR H A 38 ALA HA 1.0 1.9 4.3 510 505 A 39 THR H A 39 THR HA 1.0 1.8 3.4 511 506 A 39 THR H A 39 THR HB 1.0 1.8 3.4 512 507 A 39 THR H A 40 PHE HBy 1.0 0.0 6.0 513 508 A 6 THR H A 5 LEU HA 1.0 1.7 3.5 514 509 A 6 THR H A 9 GLN HA 1.0 0.0 6.0 515 510 A 42 THR H A 41 ALA H 1.0 1.8 3.4 516 511 A 42 THR H A 40 PHE HA 1.0 2.0 5.2 517 512 A 42 THR H A 42 THR HB 1.0 1.7 3.1 518 513 A 42 THR H A 42 THR HA 1.0 1.7 3.1 519 514 A 42 THR H A 41 ALA HA 1.0 1.8 3.8 520 515 A 70 GLY H A 69 GLU H 1.0 2.0 5.0 521 516 A 70 GLY H A 71 TYR H 1.0 1.9 3.9 522 517 A 70 GLY H A 69 GLU HA 1.0 1.7 3.1 523 518 A 70 GLY H A 69 GLU HBx 1.0 1.9 4.3 524 518 A 70 GLY H A 69 GLU HBy 1.0 1.9 4.3 525 519 A 8 SER H A 7 GLU H 1.0 1.9 3.9 526 520 A 8 SER H A 9 GLN H 1.0 1.9 4.1 527 521 A 8 SER H A 6 THR HB 1.0 1.8 3.6 528 522 A 8 SER H A 8 SER HA 1.0 1.7 3.5 529 523 A 8 SER H A 7 GLU HA 1.0 1.9 4.3 530 524 A 8 SER H A 8 SER HB3 1.0 0.0 6.0 531 525 A 8 SER H A 7 GLU HBy 1.0 1.8 3.8 532 526 A 8 SER H A 7 GLU HBx 1.0 0.0 6.0 533 527 A 83 ALA H A 82 GLN H 1.0 1.9 4.1 534 528 A 83 ALA H A 83 ALA HA 1.0 1.8 3.8 535 529 A 77 VAL H A 76 ALA HA 1.0 1.7 3.3 536 530 A 77 VAL H A 77 VAL HA 1.0 2.0 4.8 537 531 A 77 VAL HB A 77 VAL H 1.0 1.8 3.6 538 532 A 91 ALA H A 90 GLU H 1.0 1.9 3.9 539 533 A 91 ALA H A 92 ASP H 1.0 1.9 3.9 540 534 A 91 ALA H A 93 ALA H 1.0 2.0 4.8 541 535 A 91 ALA H A 91 ALA HA 1.0 1.8 3.6 542 536 A 9 GLN H A 6 THR HB 1.0 1.9 4.3 543 537 A 9 GLN H A 8 SER HA 1.0 1.9 4.7 544 538 A 9 GLN H A 9 GLN HA 1.0 1.9 3.9 545 539 A 9 GLN H A 8 SER HB3 1.0 1.9 4.1 546 540 A 9 GLN H A 10 PHE H 1.0 1.8 4.2 547 541 A 6 THR H A 9 GLN H 1.0 1.9 5.1 548 542 A 35 LYS H A 33 ASP HBx 1.0 2.0 5.2 549 543 A 35 LYS H A 35 LYS HA 1.0 1.8 3.4 550 544 A 73 ARG H A 73 ARG HBx 1.0 1.9 4.1 551 545 A 73 ARG H A 73 ARG HA 1.0 1.9 4.5 552 546 A 73 ARG H A 72 ALA HA 1.0 1.7 3.1 553 547 A 74 VAL H A 73 ARG H 1.0 2.0 5.4 554 548 A 93 ALA H A 92 ASP H 1.0 1.8 3.8 555 549 A 93 ALA H A 92 ASP HA 1.0 1.9 4.1 556 550 A 93 ALA H A 93 ALA HA 1.0 1.7 3.5 557 551 A 4 ARG H A 3 LYS HBy 1.0 1.9 4.7 558 552 A 4 ARG H A 3 LYS HBx 1.0 1.9 4.3 559 553 A 4 ARG H A 3 LYS HG2 1.0 1.9 5.1 560 554 A 4 ARG H A 4 ARG HBy 1.0 1.9 4.1 561 555 A 4 ARG H A 4 ARG HBx 1.0 1.9 3.7 562 556 A 4 ARG HGx A 4 ARG H 1.0 1.9 4.3 563 557 A 4 ARG H A 4 ARG HA 1.0 1.9 3.9 564 558 A 4 ARG H A 3 LYS HA 1.0 1.6 2.8 565 559 A 4 ARG H A 4 ARG HE 1.0 0.0 6.0 566 560 A 4 ARG H A 3 LYS HD3 1.0 1.9 5.1 567 561 A 7 GLU H A 6 THR HB 1.0 1.8 3.4 568 562 A 7 GLU H A 7 GLU HA 1.0 1.8 3.8 569 563 A 7 GLU HGy A 7 GLU H 1.0 1.9 4.7 570 563 A 7 GLU H A 7 GLU HGx 1.0 1.9 4.7 571 564 A 7 GLU H A 7 GLU HGx 1.0 1.9 4.5 572 565 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.6 573 566 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.6 574 567 A 6 THR HG1 A 7 GLU H 1.0 0.0 6.0 575 568 A 13 ALA H A 12 GLU HBy 1.0 1.8 3.4 576 569 A 13 ALA H A 12 GLU HBx 1.0 1.8 3.6 577 570 A 13 ALA H A 9 GLN HA 1.0 2.0 5.0 578 571 A 13 ALA H A 12 GLU HA 1.0 1.8 4.0 579 572 A 13 ALA HA A 13 ALA H 1.0 1.8 3.4 580 573 A 13 ALA H A 10 PHE HA 1.0 1.9 4.3 581 574 A 13 ALA H A 12 GLU H 1.0 1.8 3.4 582 575 A 15 GLN H A 13 ALA H 1.0 2.0 5.2 583 576 A 13 ALA H A 11 GLN H 1.0 2.0 5.4 584 577 A 41 ALA H A 40 PHE HBx 1.0 1.8 3.8 585 578 A 41 ALA H A 42 THR HA 1.0 0.0 6.0 586 579 A 41 ALA H A 41 ALA HA 1.0 1.8 3.6 587 580 A 41 ALA H A 40 PHE HA 1.0 1.9 4.5 588 581 A 16 GLY H A 17 LEU H 1.0 1.8 3.8 589 582 A 17 LEU H A 18 GLU H 1.0 1.9 4.7 590 583 A 17 LEU H A 17 LEU HA 1.0 1.8 3.4 591 584 A 17 LEU H A 16 GLY HAy 1.0 1.8 3.4 592 585 A 17 LEU H A 16 GLY HAx 1.0 1.9 4.1 593 586 A 17 LEU H A 15 GLN HBx 1.0 2.0 5.4 594 587 A 17 LEU H A 14 ILE HB 1.0 2.0 5.2 595 588 A 17 LEU H A 17 LEU HBy 1.0 1.7 3.3 596 589 A 17 LEU H A 17 LEU HBx 1.0 0.0 6.0 597 590 A 42 THR H A 40 PHE H 1.0 2.0 5.2 598 591 A 41 ALA H A 40 PHE H 1.0 1.8 3.4 599 592 A 40 PHE H A 40 PHE HA 1.0 1.9 3.7 600 593 A 40 PHE H A 38 ALA HA 1.0 2.0 4.8 601 594 A 40 PHE H A 39 THR HA 1.0 1.9 4.1 602 595 A 40 PHE H A 39 THR HB 1.0 1.8 3.8 603 596 A 40 PHE H A 40 PHE HBy 1.0 1.7 3.1 604 597 A 98 GLU H A 98 GLU HA 1.0 1.7 3.1 605 598 A 98 GLU H A 96 LYS H 1.0 1.9 4.7 606 599 A 96 LYS H A 95 LYS H 1.0 1.8 3.6 607 600 A 96 LYS H A 95 LYS HBy 1.0 0.0 6.0 608 601 A 96 LYS H A 95 LYS HBx 1.0 1.8 4.0 609 602 A 96 LYS H A 95 LYS HGy 1.0 0.0 6.0 610 603 A 96 LYS H A 95 LYS HGx 1.0 0.0 6.0 611 604 A 24 ILE H A 24 ILE HB 1.0 1.7 3.5 612 605 A 24 ILE HG1x A 24 ILE H 1.0 1.8 3.8 613 606 A 23 THR HG1 A 24 ILE H 1.0 1.9 4.3 614 607 A 23 THR HB A 24 ILE H 1.0 1.8 4.0 615 608 A 22 GLN HA A 24 ILE H 1.0 2.0 5.4 616 609 A 21 GLN HA A 24 ILE H 1.0 1.8 4.2 617 610 A 23 THR HA A 24 ILE H 1.0 2.0 5.2 618 611 A 24 ILE H A 24 ILE HA 1.0 1.8 4.0 619 612 A 25 GLU H A 24 ILE H 1.0 1.9 3.9 620 613 A 23 THR H A 24 ILE H 1.0 1.9 3.9 621 614 A 89 TRP HA A 92 ASP H 1.0 1.9 4.7 622 615 A 92 ASP HA A 92 ASP H 1.0 1.7 3.5 623 616 A 91 ALA HA A 92 ASP H 1.0 1.9 4.3 624 617 A 92 ASP H A 90 GLU HA 1.0 1.9 4.5 625 618 A 28 ARG H A 28 ARG HA 1.0 1.8 4.0 626 619 A 28 ARG H A 27 ALA HA 1.0 2.0 4.8 627 620 A 29 GLY H A 28 ARG H 1.0 1.9 3.9 628 621 A 28 ARG H A 27 ALA H 1.0 1.9 4.1 629 622 A 92 ASP HA A 95 LYS H 1.0 1.9 4.3 630 623 A 95 LYS H A 95 LYS HA 1.0 1.6 3.0 631 624 A 95 LYS H A 94 LYS H 1.0 1.7 3.1 632 625 A 21 GLN H A 22 GLN HB3 1.0 0.0 6.0 633 626 A 21 GLN H A 20 GLY HAy 1.0 1.7 3.3 634 627 A 21 GLN H A 20 GLY HAx 1.0 1.7 3.3 635 628 A 21 GLN H A 21 GLN HA 1.0 1.8 3.4 636 629 A 25 GLU H A 24 ILE HB 1.0 1.7 3.1 637 630 A 25 GLU H A 25 GLU HA 1.0 1.8 3.4 638 631 A 25 GLU H A 24 ILE HA 1.0 2.0 4.6 639 632 A 25 GLU H A 26 ILE H 1.0 1.8 4.0 640 633 A 25 GLU H A 23 THR H 1.0 1.9 5.3 641 634 A 97 GLN H A 97 GLN HBy 1.0 0.0 6.0 642 635 A 95 LYS HBy A 97 GLN H 1.0 0.0 6.0 643 636 A 97 GLN H A 96 LYS HD3 1.0 0.0 6.0 644 637 A 97 GLN H A 95 LYS HGx 1.0 0.0 6.0 645 638 A 50 ALA HA A 51 VAL H 1.0 1.9 4.3 646 639 A 51 VAL H A 52 SER HBx 1.0 0.0 6.0 647 640 A 51 VAL H A 51 VAL HA 1.0 1.8 3.8 648 641 A 26 ILE HG1y A 27 ALA H 1.0 2.0 4.8 649 642 A 27 ALA H A 26 ILE HB 1.0 1.8 3.4 650 643 A 27 ALA H A 26 ILE HA 1.0 1.9 4.7 651 644 A 27 ALA H A 27 ALA HA 1.0 1.8 3.8 652 645 A 27 ALA H A 24 ILE HA 1.0 2.0 5.0 653 646 A 38 ALA H A 37 GLN HBy 1.0 1.9 4.7 654 647 A 37 GLN HBx A 38 ALA H 1.0 1.8 4.0 655 648 A 38 ALA H A 38 ALA HA 1.0 1.8 3.6 656 649 A 38 ALA H A 37 GLN HA 1.0 2.0 5.0 657 650 A 60 ALA H A 59 TRP HBy 1.0 1.8 3.6 658 651 A 60 ALA H A 59 TRP HBx 1.0 0.0 6.0 659 652 A 80 GLU H A 79 PRO HB3 1.0 0.0 6.0 660 653 A 81 HIS HA A 80 GLU H 1.0 0.0 6.0 661 654 A 32 VAL H A 32 VAL HA 1.0 1.8 4.0 662 655 A 32 VAL H A 31 LEU HA 1.0 2.0 5.0 663 656 A 32 VAL H A 32 VAL HB 1.0 1.8 3.6 664 657 A 32 VAL H A 31 LEU HBx 1.0 2.0 4.8 665 658 A 62 PHE H A 62 PHE HBy 1.0 1.8 3.8 666 659 A 62 PHE HBx A 62 PHE H 1.0 1.8 3.8 667 660 A 61 ALA HA A 62 PHE H 1.0 1.9 4.3 668 661 A 62 PHE H A 62 PHE HA 1.0 1.8 3.8 669 662 A 62 PHE H A 63 GLU H 1.0 1.9 3.9 670 663 A 85 ILE H A 86 VAL H 1.0 1.9 4.5 671 664 A 86 VAL HB A 86 VAL H 1.0 1.8 4.0 672 665 A 85 ILE HB A 86 VAL H 1.0 1.9 4.1 673 666 A 83 ALA HA A 86 VAL H 1.0 2.0 4.8 674 667 A 86 VAL H A 85 ILE HA 1.0 1.8 4.2 675 668 A 87 ARG H A 86 VAL H 1.0 2.0 4.4 676 669 A 82 GLN H A 82 GLN HA 1.0 2.0 4.4 677 670 A 82 GLN H A 81 HIS HA 1.0 2.0 5.4 678 671 A 66 ASN H A 65 LYS H 1.0 1.8 3.6 679 672 A 66 ASN H A 64 ASP HA 1.0 2.0 5.0 680 673 A 66 ASN H A 65 LYS HBy 1.0 1.9 4.5 681 674 A 66 ASN H A 65 LYS HBx 1.0 1.8 4.2 682 675 A 66 ASN H A 63 GLU HA 1.0 1.9 4.9 683 676 A 66 ASN H A 65 LYS HA 1.0 1.8 4.0 684 677 A 44 LEU H A 40 PHE HA 1.0 2.0 5.0 685 678 A 43 SER HA A 44 LEU H 1.0 1.9 4.1 686 679 A 44 LEU H A 44 LEU HA 1.0 1.8 3.6 687 680 A 64 ASP H A 64 ASP HA 1.0 1.8 3.8 688 681 A 61 ALA HA A 64 ASP H 1.0 1.9 4.5 689 682 A 64 ASP H A 62 PHE HA 1.0 2.0 5.2 690 683 A 64 ASP H A 63 GLU HA 1.0 1.9 4.7 691 684 A 12 GLU H A 11 GLN HG2 1.0 2.0 4.8 692 685 A 12 GLU H A 12 GLU HG3 1.0 1.8 3.8 693 686 A 12 GLU HBy A 12 GLU H 1.0 0.0 6.0 694 687 A 12 GLU HBx A 12 GLU H 1.0 1.7 3.3 695 688 A 8 SER HA A 12 GLU H 1.0 2.0 5.2 696 689 A 9 GLN HA A 12 GLU H 1.0 1.9 4.5 697 690 A 12 GLU HA A 12 GLU H 1.0 1.8 3.4 698 691 A 13 ALA HA A 12 GLU H 1.0 2.0 5.2 699 692 A 12 GLU H A 11 GLN HA 1.0 1.9 4.3 700 693 A 11 GLN H A 12 GLU H 1.0 1.8 3.8 701 694 A 64 ASP H A 65 LYS H 1.0 1.9 4.1 702 695 A 65 LYS H A 64 ASP HA 1.0 1.9 4.1 703 696 A 65 LYS H A 65 LYS HA 1.0 1.7 3.5 704 697 A 65 LYS H A 62 PHE HA 1.0 2.0 5.0 705 698 A 65 LYS H A 63 GLU HA 1.0 2.0 5.2 706 699 A 57 ARG HA A 58 VAL H 1.0 1.9 4.5 707 700 A 57 ARG HBy A 58 VAL H 1.0 1.9 4.5 708 701 A 57 ARG HBx A 58 VAL H 1.0 0.0 6.0 709 702 A 87 ARG H A 86 VAL HA 1.0 1.9 4.5 710 703 A 87 ARG H A 87 ARG HA 1.0 1.9 3.9 711 704 A 56 HIS HA A 56 HIS H 1.0 1.8 3.8 712 705 A 55 VAL HA A 56 HIS H 1.0 0.0 6.0 713 706 A 57 ARG H A 56 HIS H 1.0 1.8 4.0 714 707 A 56 HIS H A 55 VAL H 1.0 1.9 3.9 715 708 A 56 HIS H A 54 ALA H 1.0 2.0 5.4 716 709 A 58 VAL H A 56 HIS H 1.0 1.9 4.9 717 710 A 32 VAL H A 33 ASP H 1.0 1.7 3.5 718 711 A 33 ASP H A 32 VAL HA 1.0 1.9 4.5 719 712 A 33 ASP H A 33 ASP HA 1.0 1.8 3.8 720 713 A 33 ASP H A 34 GLY HAx 1.0 1.9 4.7 721 714 A 33 ASP H A 33 ASP HBy 1.0 2.0 4.8 722 715 A 33 ASP H A 33 ASP HBx 1.0 1.9 3.9 723 716 A 33 ASP H A 32 VAL HB 1.0 1.8 3.6 724 717 A 42 THR H A 43 SER H 1.0 1.8 3.6 725 718 A 44 LEU H A 43 SER H 1.0 1.8 3.6 726 719 A 43 SER H A 44 LEU HA 1.0 0.0 6.0 727 720 A 43 SER H A 40 PHE HA 1.0 1.9 4.1 728 721 A 43 SER H A 42 THR HA 1.0 1.9 3.9 729 722 A 31 LEU H A 31 LEU HA 1.0 1.9 4.3 730 723 A 31 LEU H A 30 VAL HB 1.0 1.9 4.1 731 724 A 11 GLN H A 11 GLN HG2 1.0 1.8 3.8 732 725 A 11 GLN H A 11 GLN HBy 1.0 1.7 3.3 733 726 A 11 GLN H A 10 PHE H 1.0 1.9 4.3 734 727 A 11 GLN H A 8 SER HA 1.0 1.9 4.5 735 728 A 11 GLN H A 12 GLU HA 1.0 0.0 6.0 736 729 A 11 GLN H A 11 GLN HA 1.0 1.8 3.8 737 730 A 54 ALA HA A 55 VAL H 1.0 1.9 4.5 738 731 A 55 VAL HA A 55 VAL H 1.0 1.9 3.9 739 732 A 55 VAL H A 55 VAL HB 1.0 1.8 3.4 740 733 A 99 THR H A 99 THR HA 1.0 1.7 2.9 741 734 A 99 THR H A 99 THR HB 1.0 0.0 6.0 742 735 A 98 GLU HBx A 99 THR H 1.0 1.9 4.3 743 736 A 99 THR H A 99 THR HG1 1.0 1.8 3.8 744 737 A 52 SER H A 54 ALA H 1.0 2.0 5.4 745 738 A 52 SER H A 52 SER HBy 1.0 1.7 3.5 746 739 A 52 SER H A 52 SER HBx 1.0 1.6 3.0 747 740 A 52 SER H A 51 VAL HA 1.0 1.9 4.5 748 741 A 52 SER H A 51 VAL HB 1.0 1.8 3.6 749 742 A 16 GLY H A 16 GLY HAx 1.0 1.8 3.8 750 743 A 15 GLN HGy A 16 GLY H 1.0 1.9 4.7 751 744 A 16 GLY H A 15 GLN HBx 1.0 1.9 4.5 752 745 A 77 VAL H A 76 ALA H 1.0 2.0 5.6 753 746 A 14 ILE H A 12 GLU H 1.0 2.0 5.6 754 747 A 100 LYS H A 100 LYS HA 1.0 1.6 3.0 755 748 A 34 GLY H A 34 GLY HAy 1.0 1.7 3.3 756 749 A 34 GLY H A 34 GLY HAx 1.0 1.7 3.3 757 750 A 47 THR H A 49 GLY H 1.0 2.0 5.6 758 751 A 47 THR HA A 49 GLY H 1.0 2.0 5.8 759 752 A 48 ARG HA A 49 GLY H 1.0 1.9 4.3 760 753 A 48 ARG HBy A 49 GLY H 1.0 2.0 5.6 761 753 A 49 GLY H A 48 ARG HBx 1.0 2.0 5.6 762 754 A 45 GLY H A 45 GLY HAx 1.0 0.0 6.0 763 755 A 6 THR H A 10 PHE H 1.0 2.0 5.6 764 756 A 53 GLN H A 54 ALA H 1.0 1.8 3.6 765 757 A 84 TYR HA A 85 ILE H 1.0 1.9 5.1 766 758 A 85 ILE H A 85 ILE HA 1.0 1.9 4.1 767 759 A 84 TYR HBy A 85 ILE H 1.0 2.0 4.6 768 760 A 84 TYR HBx A 85 ILE H 1.0 1.9 4.5 769 761 A 86 VAL HB A 85 ILE H 1.0 2.0 5.8 770 762 A 85 ILE HB A 85 ILE H 1.0 1.8 3.6 771 763 A 8 SER H A 10 PHE H 1.0 1.9 4.1 772 764 A 58 VAL H A 59 TRP H 1.0 1.8 3.6 773 765 A 71 TYR H A 72 ALA H 1.0 2.0 4.8 774 766 A 6 THR H A 7 GLU H 1.0 2.0 6.0 775 767 A 88 LYS H A 89 TRP H 1.0 1.9 4.1 776 768 A 72 ALA H A 73 ARG H 1.0 2.0 5.4 777 769 A 87 ARG H A 88 LYS H 1.0 1.9 4.1 778 770 A 54 ALA H A 55 VAL H 1.0 1.8 3.6 779 771 A 88 LYS H A 88 LYS HA 1.0 1.8 3.6 780 772 A 88 LYS H A 87 ARG HA 1.0 1.9 4.5 781 773 A 77 VAL H A 78 LEU HA 1.0 2.0 6.0 782 774 A 50 ALA H A 49 GLY H 1.0 2.0 5.8 783 775 A 19 VAL H A 18 GLU H 1.0 1.9 3.9 784 776 A 19 VAL H A 18 GLU HA 1.0 1.5 2.7 785 777 A 19 VAL HB A 19 VAL H 1.0 0.0 6.0 786 778 A 23 THR H A 22 GLN HB3 1.0 1.7 3.5 787 779 A 19 VAL H A 18 GLU HB3 1.0 1.9 4.3 788 780 A 19 VAL H A 17 LEU HBy 1.0 0.0 6.0 789 781 A 19 VAL H A 17 LEU HBx 1.0 0.0 6.0 790 782 A 23 THR H A 22 GLN HA 1.0 1.9 4.3 791 783 A 31 LEU H A 30 VAL H 1.0 1.9 3.9 792 784 A 29 GLY H A 30 VAL H 1.0 1.9 4.7 793 785 A 58 VAL H A 55 VAL H 1.0 2.0 5.8 794 786 A 29 GLY H A 33 ASP H 1.0 2.0 5.8 795 787 A 29 GLY H A 27 ALA H 1.0 2.0 5.8 796 788 A 4 ARG H A 3 LYS H 1.0 2.0 5.0 797 789 A 6 THR H A 8 SER H 1.0 1.9 6.0 798 790 A 9 GLN H A 7 GLU H 1.0 2.0 6.0 799 791 A 10 PHE H A 12 GLU H 1.0 2.0 6.0 800 792 A 10 PHE H A 10 PHE HA 1.0 1.8 4.0 801 793 A 10 PHE HBx A 10 PHE H 1.0 1.9 3.9 802 794 A 31 LEU H A 33 ASP H 1.0 2.0 5.6 803 795 A 35 LYS H A 33 ASP H 1.0 2.0 5.6 804 796 A 39 THR H A 40 PHE H 1.0 1.8 3.4 805 797 A 40 PHE H A 38 ALA H 1.0 2.0 6.0 806 798 A 41 ALA H A 43 SER H 1.0 2.0 5.6 807 799 A 48 ARG H A 49 GLY H 1.0 2.0 6.0 808 800 A 53 GLN H A 55 VAL H 1.0 1.9 4.9 809 801 A 60 ALA H A 57 ARG H 1.0 2.0 5.6 810 802 A 65 LYS H A 63 GLU H 1.0 2.0 5.6 811 803 A 61 ALA H A 63 GLU H 1.0 2.0 5.0 812 804 A 67 LEU H A 65 LYS H 1.0 2.0 6.0 813 805 A 66 ASN H A 64 ASP H 1.0 2.0 5.8 814 806 A 82 GLN H A 84 TYR H 1.0 2.0 5.6 815 807 A 6 THR H A 5 LEU H 1.0 2.0 5.4 816 808 A 4 ARG H A 5 LEU H 1.0 1.9 4.7 817 809 A 6 THR H A 5 LEU HBx 1.0 2.0 5.8 818 810 A 6 THR H A 5 LEU HBy 1.0 2.0 5.8 819 811 A 31 LEU H A 30 VAL HA 1.0 2.0 5.6 820 812 A 65 LYS H A 64 ASP HBx 1.0 1.9 4.3 821 813 A 65 LYS H A 64 ASP HBy 1.0 1.9 4.3 822 814 A 44 LEU H A 43 SER HBx 1.0 1.8 3.8 823 815 A 44 LEU H A 43 SER HBy 1.0 1.8 3.8 824 816 A 57 ARG H A 56 HIS HBy 1.0 1.8 3.6 825 816 A 57 ARG H A 56 HIS HBx 1.0 1.8 3.6 826 817 A 82 GLN H A 81 HIS HBy 1.0 1.9 5.5 827 818 A 82 GLN H A 81 HIS HBx 1.0 2.0 5.6 828 819 A 18 GLU H A 17 LEU HBy 1.0 1.9 4.5 829 820 A 28 ARG H A 24 ILE HA 1.0 2.0 5.8 830 821 A 35 LYS H A 34 GLY HAx 1.0 1.9 4.1 831 822 A 35 LYS H A 34 GLY HAy 1.0 1.9 4.1 832 823 A 39 THR H A 40 PHE HA 1.0 2.0 5.8 833 824 A 53 GLN H A 53 GLN HA 1.0 1.7 3.1 834 825 A 53 GLN H A 52 SER HBx 1.0 0.0 6.0 835 826 A 63 GLU H A 63 GLU HA 1.0 1.8 3.6 836 827 A 63 GLU H A 62 PHE HA 1.0 1.8 3.8 837 828 A 63 GLU H A 64 ASP HA 1.0 2.0 6.0 838 829 A 71 TYR H A 71 TYR HA 1.0 1.9 4.1 839 830 A 70 GLY HAx A 71 TYR H 1.0 1.8 4.0 840 831 A 71 TYR H A 71 TYR HBy 1.0 1.8 3.8 841 832 A 71 TYR H A 71 TYR HBx 1.0 1.9 4.1 842 833 A 82 GLN H A 83 ALA HA 1.0 0.0 6.0 843 834 A 89 TRP HA A 89 TRP H 1.0 1.8 4.0 844 835 A 89 TRP H A 88 LYS HA 1.0 1.8 3.6 845 836 A 89 TRP HA A 90 GLU H 1.0 1.9 4.1 846 837 A 90 GLU H A 90 GLU HA 1.0 1.8 3.8 847 838 A 91 ALA H A 90 GLU HA 1.0 1.8 3.8 848 839 A 91 ALA H A 92 ASP HA 1.0 2.0 5.2 849 840 A 93 ALA HA A 92 ASP H 1.0 2.0 5.6 850 841 A 99 THR H A 98 GLU HA 1.0 1.7 3.1 851 842 A 50 ALA H A 47 THR HA 1.0 2.0 5.6 852 843 A 50 ALA H A 51 VAL HA 1.0 2.0 6.0 853 844 A 43 SER H A 40 PHE HBx 1.0 2.0 5.8 854 845 A 14 ILE H A 12 GLU HBx 1.0 2.0 5.6 855 845 A 14 ILE H A 12 GLU HBy 1.0 2.0 5.6 856 846 A 89 TRP HA A 89 TRP HE1 1.0 0.0 6.0 857 847 A 89 TRP HE1 A 89 TRP HZ2 1.0 1.7 3.3 858 848 A 89 TRP HE1 A 89 TRP HD1 1.0 1.6 3.0 859 849 A 89 TRP HE1 A 89 TRP HH2 1.0 0.0 6.0 860 850 A 59 TRP HE1 A 59 TRP HZ2 1.0 1.7 3.5 861 851 A 59 TRP HH2 A 59 TRP HE1 1.0 2.0 5.6 862 852 A 59 TRP HE1 A 59 TRP HD1 1.0 1.6 3.0 863 853 A 74 VAL HB A 76 ALA H 1.0 2.0 5.8 864 854 A 100 LYS H A 100 LYS HBy 1.0 1.8 3.4 865 855 A 100 LYS H A 100 LYS HG2 1.0 1.9 4.3 866 856 A 97 GLN HE2y A 97 GLN HE2x 1.0 1.4 2.2 867 857 A 16 GLY H A 17 LEU HBx 1.0 2.0 5.8 868 858 A 27 ALA H A 26 ILE H 1.0 1.8 3.6 869 859 A 23 THR HA A 26 ILE H 1.0 2.0 4.8 870 860 A 26 ILE H A 26 ILE HA 1.0 1.9 3.9 871 861 A 26 ILE H A 26 ILE HB 1.0 1.8 3.4 872 862 A 26 ILE H A 26 ILE HG1x 1.0 2.0 6.0 873 863 A 29 GLY HAy A 30 VAL H 1.0 1.9 4.5 874 864 A 30 VAL H A 30 VAL HA 1.0 1.8 4.0 875 865 A 63 GLU H A 62 PHE HBy 1.0 1.9 4.1 876 866 A 62 PHE HBx A 63 GLU H 1.0 1.9 4.1 877 867 A 48 ARG HE A 48 ARG HDx 1.0 2.0 5.4 878 868 A 4 ARG HE A 4 ARG HDy 1.0 2.0 5.8 879 869 A 81 HIS HA A 81 HIS H 1.0 2.0 4.8 880 870 A 81 HIS H A 80 GLU HA 1.0 2.0 5.8 881 871 A 81 HIS H A 81 HIS HBy 1.0 2.0 5.0 882 872 A 81 HIS H A 81 HIS HBx 1.0 2.0 5.2 883 873 A 5 LEU H A 4 ARG HA 1.0 1.7 3.3 884 874 A 5 LEU H A 5 LEU HA 1.0 1.8 4.2 885 875 A 5 LEU H A 4 ARG HDy 1.0 2.0 5.2 886 876 A 5 LEU H A 5 LEU HBy 1.0 1.9 3.9 887 877 A 5 LEU H A 4 ARG HBy 1.0 1.9 4.1 888 878 A 28 ARG H A 26 ILE H 1.0 1.9 6.0 889 879 A 85 ILE H A 82 GLN HA 1.0 2.0 5.0 890 880 A 83 ALA H A 84 TYR HBx 1.0 2.0 5.6 891 881 A 74 VAL H A 75 THR HA 1.0 2.0 5.8 892 882 B 15 GLN H B 14 ILE HA 1.0 0.0 6.0 893 883 B 15 GLN H B 17 LEU H 1.0 1.9 5.3 894 884 B 101 ARG H B 101 ARG HGx 1.0 1.9 4.3 895 884 B 101 ARG H B 101 ARG HGy 1.0 1.9 4.3 896 885 B 101 ARG H B 101 ARG HGy 1.0 1.9 3.7 897 886 B 101 ARG H B 100 LYS HBx 1.0 1.9 4.5 898 887 B 101 ARG H B 101 ARG HA 1.0 1.8 3.8 899 888 B 101 ARG H B 100 LYS HA 1.0 1.6 2.8 900 889 B 100 LYS H B 101 ARG H 1.0 2.0 4.8 901 890 B 18 GLU H B 17 LEU HA 1.0 1.7 3.3 902 891 B 18 GLU H B 18 GLU HA 1.0 1.8 3.8 903 892 B 18 GLU H B 18 GLU HGy 1.0 1.9 4.1 904 893 B 18 GLU H B 18 GLU HBy 1.0 1.8 3.8 905 894 B 18 GLU H B 17 LEU HBy 1.0 1.9 4.3 906 895 B 50 ALA H B 52 SER H 1.0 1.9 5.1 907 896 B 50 ALA H B 51 VAL H 1.0 1.8 3.8 908 897 B 50 ALA H B 49 GLY HAy 1.0 1.8 3.8 909 898 B 3 LYS H B 2 LYS HA 1.0 1.6 3.0 910 899 B 3 LYS H B 3 LYS HA 1.0 1.9 4.1 911 900 B 3 LYS H B 2 LYS HBx 1.0 1.9 4.1 912 901 B 3 LYS H B 2 LYS HGy 1.0 2.0 5.4 913 902 B 3 LYS H B 3 LYS HBy 1.0 1.9 3.9 914 903 B 3 LYS H B 3 LYS HBx 1.0 1.9 4.3 915 904 B 3 LYS H B 3 LYS HDy 1.0 0.0 6.0 916 905 B 3 LYS H B 3 LYS HGx 1.0 1.9 4.7 917 906 B 15 GLN H B 14 ILE HG1x 1.0 1.9 4.3 918 907 B 15 GLN H B 14 ILE HG1y 1.0 1.9 4.1 919 908 B 15 GLN H B 15 GLN HGx 1.0 0.0 6.0 920 909 B 15 GLN H B 15 GLN HBx 1.0 1.7 2.9 921 910 B 15 GLN H B 14 ILE HB 1.0 1.9 4.7 922 911 B 15 GLN H B 14 ILE H 1.0 1.8 3.4 923 912 B 15 GLN H B 16 GLY H 1.0 1.9 5.1 924 913 B 37 GLN H B 36 PRO HA 1.0 1.8 3.8 925 914 B 67 LEU H B 66 ASN H 1.0 1.9 4.1 926 915 B 67 LEU H B 66 ASN HA 1.0 1.7 3.3 927 916 B 67 LEU H B 64 ASP HA 1.0 2.0 5.4 928 917 B 67 LEU H B 66 ASN HBy 1.0 1.9 4.9 929 918 B 67 LEU H B 66 ASN HBx 1.0 2.0 5.0 930 919 B 67 LEU H B 65 LYS HA 1.0 2.0 5.8 931 920 B 67 LEU H B 67 LEU HA 1.0 1.9 4.1 932 921 B 14 ILE H B 13 ALA H 1.0 1.9 3.9 933 922 B 14 ILE H B 14 ILE HA 1.0 1.9 3.9 934 923 B 14 ILE H B 12 GLU HBx 1.0 0.0 6.0 935 924 B 14 ILE H B 14 ILE HB 1.0 1.9 4.3 936 925 B 14 ILE H B 14 ILE HG1x 1.0 1.8 3.6 937 926 B 14 ILE H B 14 ILE HG1y 1.0 1.8 3.6 938 927 B 34 GLY H B 32 VAL H 1.0 1.9 4.7 939 928 B 34 GLY H B 32 VAL HA 1.0 2.0 5.2 940 929 B 34 GLY H B 33 ASP HA 1.0 1.9 4.3 941 930 B 34 GLY H B 35 LYS HA 1.0 0.0 6.0 942 931 B 34 GLY H B 33 ASP H 1.0 1.9 3.9 943 932 B 34 GLY H B 35 LYS H 1.0 1.8 3.6 944 933 B 34 GLY H B 33 ASP HBx 1.0 1.9 4.5 945 934 B 34 GLY H B 33 ASP HBy 1.0 2.0 4.8 946 935 B 29 GLY H B 29 GLY HAx 1.0 1.8 3.6 947 936 B 29 GLY H B 28 ARG HBy 1.0 1.9 3.9 948 937 B 29 GLY H B 29 GLY HAy 1.0 1.8 3.6 949 938 B 29 GLY H B 28 ARG HA 1.0 1.9 4.7 950 939 B 29 GLY H B 26 ILE HA 1.0 1.9 5.3 951 940 B 47 THR H B 46 LEU HA 1.0 1.7 3.3 952 941 B 47 THR H B 47 THR HA 1.0 1.8 4.0 953 942 B 47 THR H B 46 LEU HBy 1.0 1.8 3.6 954 943 B 47 THR H B 46 LEU HBx 1.0 0.0 6.0 955 944 B 20 GLY H B 19 VAL H 1.0 1.9 4.3 956 945 B 45 GLY H B 46 LEU HA 1.0 2.0 5.0 957 946 B 20 GLY H B 19 VAL HA 1.0 1.7 3.1 958 947 B 20 GLY H B 18 GLU HA 1.0 0.0 6.0 959 948 B 20 GLY H B 20 GLY HAy 1.0 1.8 3.6 960 949 B 20 GLY H B 20 GLY HAx 1.0 1.8 3.4 961 950 B 20 GLY H B 19 VAL HB 1.0 1.8 3.6 962 951 B 45 GLY H B 43 SER H 1.0 2.0 5.4 963 952 B 45 GLY H B 44 LEU HA 1.0 1.9 4.1 964 953 B 45 GLY H B 45 GLY HAx 1.0 1.6 2.8 965 954 B 45 GLY H B 44 LEU HBy 1.0 1.9 4.3 966 955 B 45 GLY H B 44 LEU HBx 1.0 1.9 4.1 967 956 B 45 GLY H B 46 LEU HBx 1.0 1.9 4.9 968 957 B 39 THR H B 38 ALA H 1.0 1.9 4.5 969 958 B 39 THR H B 41 ALA H 1.0 2.0 5.0 970 959 B 39 THR H B 38 ALA HA 1.0 1.9 4.3 971 960 B 39 THR H B 39 THR HA 1.0 1.8 3.4 972 961 B 39 THR H B 39 THR HB 1.0 1.8 3.4 973 962 B 39 THR H B 40 PHE HBy 1.0 0.0 6.0 974 963 B 6 THR H B 5 LEU HA 1.0 1.7 3.5 975 964 B 6 THR H B 9 GLN HA 1.0 0.0 6.0 976 965 B 42 THR H B 41 ALA H 1.0 1.8 3.4 977 966 B 42 THR H B 40 PHE HA 1.0 2.0 5.2 978 967 B 42 THR H B 42 THR HB 1.0 1.7 3.1 979 968 B 42 THR H B 42 THR HA 1.0 1.7 3.1 980 969 B 42 THR H B 41 ALA HA 1.0 1.8 3.8 981 970 B 70 GLY H B 69 GLU H 1.0 2.0 5.0 982 971 B 70 GLY H B 71 TYR H 1.0 1.9 3.9 983 972 B 70 GLY H B 69 GLU HA 1.0 1.7 3.1 984 973 B 70 GLY H B 69 GLU HBx 1.0 1.9 4.3 985 973 B 70 GLY H B 69 GLU HBy 1.0 1.9 4.3 986 974 B 8 SER H B 7 GLU H 1.0 1.9 3.9 987 975 B 8 SER H B 9 GLN H 1.0 1.9 4.1 988 976 B 8 SER H B 6 THR HB 1.0 1.8 3.6 989 977 B 8 SER H B 8 SER HA 1.0 1.7 3.5 990 978 B 8 SER H B 7 GLU HA 1.0 1.9 4.3 991 979 B 8 SER H B 8 SER HBy 1.0 0.0 6.0 992 980 B 8 SER H B 7 GLU HBy 1.0 1.8 3.8 993 981 B 8 SER H B 7 GLU HBx 1.0 0.0 6.0 994 982 B 83 ALA H B 82 GLN H 1.0 1.9 4.1 995 983 B 83 ALA H B 83 ALA HA 1.0 1.8 3.8 996 984 B 77 VAL H B 76 ALA HA 1.0 1.7 3.3 997 985 B 77 VAL H B 77 VAL HA 1.0 2.0 4.8 998 986 B 77 VAL HB B 77 VAL H 1.0 1.8 3.6 999 987 B 91 ALA H B 90 GLU H 1.0 1.9 3.9 1000 988 B 91 ALA H B 92 ASP H 1.0 1.9 3.9 1001 989 B 91 ALA H B 93 ALA H 1.0 2.0 4.8 1002 990 B 91 ALA H B 91 ALA HA 1.0 1.8 3.6 1003 991 B 9 GLN H B 6 THR HB 1.0 1.9 4.3 1004 992 B 9 GLN H B 8 SER HA 1.0 1.9 4.7 1005 993 B 9 GLN H B 9 GLN HA 1.0 1.9 3.9 1006 994 B 9 GLN H B 8 SER HBy 1.0 1.9 4.1 1007 995 B 9 GLN H B 10 PHE H 1.0 1.8 4.2 1008 996 B 6 THR H B 9 GLN H 1.0 1.9 5.1 1009 997 B 35 LYS H B 33 ASP HBy 1.0 2.0 5.2 1010 998 B 35 LYS H B 35 LYS HA 1.0 1.8 3.4 1011 999 B 73 ARG H B 73 ARG HBx 1.0 1.9 4.1 1012 1000 B 73 ARG H B 73 ARG HA 1.0 1.9 4.5 1013 1001 B 73 ARG H B 72 ALA HA 1.0 1.7 3.1 1014 1002 B 74 VAL H B 73 ARG H 1.0 2.0 5.4 1015 1003 B 93 ALA H B 92 ASP H 1.0 1.8 3.8 1016 1004 B 93 ALA H B 92 ASP HA 1.0 1.9 4.1 1017 1005 B 93 ALA H B 93 ALA HA 1.0 1.7 3.5 1018 1006 B 4 ARG H B 3 LYS HBy 1.0 1.9 4.7 1019 1007 B 4 ARG H B 3 LYS HBx 1.0 1.9 4.3 1020 1008 B 4 ARG H B 3 LYS HGx 1.0 1.9 5.1 1021 1009 B 4 ARG H B 4 ARG HBy 1.0 1.9 4.1 1022 1010 B 4 ARG H B 4 ARG HBx 1.0 1.9 3.7 1023 1011 B 4 ARG HGx B 4 ARG H 1.0 1.9 4.3 1024 1012 B 4 ARG H B 4 ARG HA 1.0 1.9 3.9 1025 1013 B 4 ARG H B 3 LYS HA 1.0 1.6 2.8 1026 1014 B 4 ARG H B 4 ARG HE 1.0 0.0 6.0 1027 1015 B 4 ARG H B 3 LYS HDy 1.0 1.9 5.1 1028 1016 B 7 GLU H B 6 THR HB 1.0 1.8 3.4 1029 1017 B 7 GLU H B 7 GLU HA 1.0 1.8 3.8 1030 1018 B 7 GLU HGx B 7 GLU H 1.0 1.9 4.7 1031 1018 B 7 GLU H B 7 GLU HGy 1.0 1.9 4.7 1032 1019 B 7 GLU H B 7 GLU HGy 1.0 1.9 4.5 1033 1020 B 7 GLU H B 7 GLU HBy 1.0 1.8 3.6 1034 1021 B 7 GLU H B 7 GLU HBx 1.0 1.8 3.6 1035 1022 B 6 THR HG1 B 7 GLU H 1.0 0.0 6.0 1036 1023 B 13 ALA H B 12 GLU HBy 1.0 1.8 3.4 1037 1024 B 13 ALA H B 12 GLU HBx 1.0 1.8 3.6 1038 1025 B 13 ALA H B 9 GLN HA 1.0 2.0 5.0 1039 1026 B 13 ALA H B 12 GLU HA 1.0 1.8 4.0 1040 1027 B 13 ALA HA B 13 ALA H 1.0 1.8 3.4 1041 1028 B 13 ALA H B 10 PHE HA 1.0 1.9 4.3 1042 1029 B 13 ALA H B 12 GLU H 1.0 1.8 3.4 1043 1030 B 15 GLN H B 13 ALA H 1.0 2.0 5.2 1044 1031 B 13 ALA H B 11 GLN H 1.0 2.0 5.4 1045 1032 B 41 ALA H B 40 PHE HBx 1.0 1.8 3.8 1046 1033 B 41 ALA H B 42 THR HA 1.0 0.0 6.0 1047 1034 B 41 ALA H B 41 ALA HA 1.0 1.8 3.6 1048 1035 B 41 ALA H B 40 PHE HA 1.0 1.9 4.5 1049 1036 B 16 GLY H B 17 LEU H 1.0 1.8 3.8 1050 1037 B 17 LEU H B 18 GLU H 1.0 1.9 4.7 1051 1038 B 17 LEU H B 17 LEU HA 1.0 1.8 3.4 1052 1039 B 17 LEU H B 16 GLY HAy 1.0 1.8 3.4 1053 1040 B 17 LEU H B 16 GLY HAx 1.0 1.9 4.1 1054 1041 B 17 LEU H B 15 GLN HBx 1.0 2.0 5.4 1055 1042 B 17 LEU H B 14 ILE HB 1.0 2.0 5.2 1056 1043 B 17 LEU H B 17 LEU HBx 1.0 1.7 3.3 1057 1044 B 17 LEU H B 17 LEU HBy 1.0 0.0 6.0 1058 1045 B 42 THR H B 40 PHE H 1.0 2.0 5.2 1059 1046 B 41 ALA H B 40 PHE H 1.0 1.8 3.4 1060 1047 B 40 PHE H B 40 PHE HA 1.0 1.9 3.7 1061 1048 B 40 PHE H B 38 ALA HA 1.0 2.0 4.8 1062 1049 B 40 PHE H B 39 THR HA 1.0 1.9 4.1 1063 1050 B 40 PHE H B 39 THR HB 1.0 1.8 3.8 1064 1051 B 40 PHE H B 40 PHE HBy 1.0 1.7 3.1 1065 1052 B 98 GLU H B 98 GLU HA 1.0 1.7 3.1 1066 1053 B 98 GLU H B 96 LYS H 1.0 1.9 4.7 1067 1054 B 96 LYS H B 95 LYS H 1.0 1.8 3.6 1068 1055 B 96 LYS H B 95 LYS HBy 1.0 0.0 6.0 1069 1056 B 96 LYS H B 95 LYS HBx 1.0 1.8 4.0 1070 1057 B 96 LYS H B 95 LYS HGy 1.0 0.0 6.0 1071 1058 B 96 LYS H B 95 LYS HGx 1.0 0.0 6.0 1072 1059 B 24 ILE H B 24 ILE HB 1.0 1.7 3.5 1073 1060 B 24 ILE HG1x B 24 ILE H 1.0 1.8 3.8 1074 1061 B 23 THR HG1 B 24 ILE H 1.0 1.9 4.3 1075 1062 B 23 THR HB B 24 ILE H 1.0 1.8 4.0 1076 1063 B 22 GLN HA B 24 ILE H 1.0 2.0 5.4 1077 1064 B 21 GLN HA B 24 ILE H 1.0 1.8 4.2 1078 1065 B 23 THR HA B 24 ILE H 1.0 2.0 5.2 1079 1066 B 24 ILE H B 24 ILE HA 1.0 1.8 4.0 1080 1067 B 25 GLU H B 24 ILE H 1.0 1.9 3.9 1081 1068 B 23 THR H B 24 ILE H 1.0 1.9 3.9 1082 1069 B 89 TRP HA B 92 ASP H 1.0 1.9 4.7 1083 1070 B 92 ASP HA B 92 ASP H 1.0 1.7 3.5 1084 1071 B 91 ALA HA B 92 ASP H 1.0 1.9 4.3 1085 1072 B 92 ASP H B 90 GLU HA 1.0 1.9 4.5 1086 1073 B 28 ARG H B 28 ARG HA 1.0 1.8 4.0 1087 1074 B 28 ARG H B 27 ALA HA 1.0 2.0 4.8 1088 1075 B 29 GLY H B 28 ARG H 1.0 1.9 3.9 1089 1076 B 28 ARG H B 27 ALA H 1.0 1.9 4.1 1090 1077 B 92 ASP HA B 95 LYS H 1.0 1.9 4.3 1091 1078 B 95 LYS H B 95 LYS HA 1.0 1.6 3.0 1092 1079 B 95 LYS H B 94 LYS H 1.0 1.7 3.1 1093 1080 B 21 GLN H B 22 GLN HBy 1.0 0.0 6.0 1094 1081 B 21 GLN H B 20 GLY HAy 1.0 1.7 3.3 1095 1082 B 21 GLN H B 20 GLY HAx 1.0 1.7 3.3 1096 1083 B 21 GLN H B 21 GLN HA 1.0 1.8 3.4 1097 1084 B 25 GLU H B 24 ILE HB 1.0 1.7 3.1 1098 1085 B 25 GLU H B 25 GLU HA 1.0 1.8 3.4 1099 1086 B 25 GLU H B 24 ILE HA 1.0 2.0 4.6 1100 1087 B 25 GLU H B 26 ILE H 1.0 1.8 4.0 1101 1088 B 25 GLU H B 23 THR H 1.0 1.9 5.3 1102 1089 B 97 GLN H B 97 GLN HBy 1.0 0.0 6.0 1103 1090 B 95 LYS HBy B 97 GLN H 1.0 0.0 6.0 1104 1091 B 97 GLN H B 96 LYS HDy 1.0 0.0 6.0 1105 1092 B 97 GLN H B 95 LYS HGx 1.0 0.0 6.0 1106 1093 B 50 ALA HA B 51 VAL H 1.0 1.9 4.3 1107 1094 B 51 VAL H B 52 SER HBx 1.0 0.0 6.0 1108 1095 B 51 VAL H B 51 VAL HA 1.0 1.8 3.8 1109 1096 B 26 ILE HG1y B 27 ALA H 1.0 2.0 4.8 1110 1097 B 27 ALA H B 26 ILE HB 1.0 1.8 3.4 1111 1098 B 27 ALA H B 26 ILE HA 1.0 1.9 4.7 1112 1099 B 27 ALA H B 27 ALA HA 1.0 1.8 3.8 1113 1100 B 27 ALA H B 24 ILE HA 1.0 2.0 5.0 1114 1101 B 38 ALA H B 37 GLN HBy 1.0 1.9 4.7 1115 1102 B 37 GLN HBx B 38 ALA H 1.0 1.8 4.0 1116 1103 B 38 ALA H B 38 ALA HA 1.0 1.8 3.6 1117 1104 B 38 ALA H B 37 GLN HA 1.0 2.0 5.0 1118 1105 B 60 ALA H B 59 TRP HBy 1.0 1.8 3.6 1119 1106 B 60 ALA H B 59 TRP HBx 1.0 0.0 6.0 1120 1107 B 80 GLU H B 79 PRO HBy 1.0 0.0 6.0 1121 1108 B 81 HIS HA B 80 GLU H 1.0 0.0 6.0 1122 1109 B 32 VAL H B 32 VAL HA 1.0 1.8 4.0 1123 1110 B 32 VAL H B 31 LEU HA 1.0 2.0 5.0 1124 1111 B 32 VAL H B 32 VAL HB 1.0 1.8 3.6 1125 1112 B 32 VAL H B 31 LEU HBy 1.0 2.0 4.8 1126 1113 B 62 PHE H B 62 PHE HBy 1.0 1.8 3.8 1127 1114 B 62 PHE HBx B 62 PHE H 1.0 1.8 3.8 1128 1115 B 61 ALA HA B 62 PHE H 1.0 1.9 4.3 1129 1116 B 62 PHE H B 62 PHE HA 1.0 1.8 3.8 1130 1117 B 62 PHE H B 63 GLU H 1.0 1.9 3.9 1131 1118 B 85 ILE H B 86 VAL H 1.0 1.9 4.5 1132 1119 B 86 VAL HB B 86 VAL H 1.0 1.8 4.0 1133 1120 B 85 ILE HB B 86 VAL H 1.0 1.9 4.1 1134 1121 B 83 ALA HA B 86 VAL H 1.0 2.0 4.8 1135 1122 B 86 VAL H B 85 ILE HA 1.0 1.8 4.2 1136 1123 B 87 ARG H B 86 VAL H 1.0 2.0 4.4 1137 1124 B 82 GLN H B 82 GLN HA 1.0 2.0 4.4 1138 1125 B 82 GLN H B 81 HIS HA 1.0 2.0 5.4 1139 1126 B 66 ASN H B 65 LYS H 1.0 1.8 3.6 1140 1127 B 66 ASN H B 64 ASP HA 1.0 2.0 5.0 1141 1128 B 66 ASN H B 65 LYS HBy 1.0 1.9 4.5 1142 1129 B 66 ASN H B 65 LYS HBx 1.0 1.8 4.2 1143 1130 B 66 ASN H B 63 GLU HA 1.0 1.9 4.9 1144 1131 B 66 ASN H B 65 LYS HA 1.0 1.8 4.0 1145 1132 B 44 LEU H B 40 PHE HA 1.0 2.0 5.0 1146 1133 B 43 SER HA B 44 LEU H 1.0 1.9 4.1 1147 1134 B 44 LEU H B 44 LEU HA 1.0 1.8 3.6 1148 1135 B 64 ASP H B 64 ASP HA 1.0 1.8 3.8 1149 1136 B 61 ALA HA B 64 ASP H 1.0 1.9 4.5 1150 1137 B 64 ASP H B 62 PHE HA 1.0 2.0 5.2 1151 1138 B 64 ASP H B 63 GLU HA 1.0 1.9 4.7 1152 1139 B 12 GLU H B 11 GLN HGx 1.0 2.0 4.8 1153 1140 B 12 GLU H B 12 GLU HGy 1.0 1.8 3.8 1154 1141 B 12 GLU HBy B 12 GLU H 1.0 0.0 6.0 1155 1142 B 12 GLU HBx B 12 GLU H 1.0 1.7 3.3 1156 1143 B 8 SER HA B 12 GLU H 1.0 2.0 5.2 1157 1144 B 9 GLN HA B 12 GLU H 1.0 1.9 4.5 1158 1145 B 12 GLU HA B 12 GLU H 1.0 1.8 3.4 1159 1146 B 13 ALA HA B 12 GLU H 1.0 2.0 5.2 1160 1147 B 12 GLU H B 11 GLN HA 1.0 1.9 4.3 1161 1148 B 11 GLN H B 12 GLU H 1.0 1.8 3.8 1162 1149 B 64 ASP H B 65 LYS H 1.0 1.9 4.1 1163 1150 B 65 LYS H B 64 ASP HA 1.0 1.9 4.1 1164 1151 B 65 LYS H B 65 LYS HA 1.0 1.7 3.5 1165 1152 B 65 LYS H B 62 PHE HA 1.0 2.0 5.0 1166 1153 B 65 LYS H B 63 GLU HA 1.0 2.0 5.2 1167 1154 B 57 ARG HA B 58 VAL H 1.0 1.9 4.5 1168 1155 B 57 ARG HBy B 58 VAL H 1.0 1.9 4.5 1169 1156 B 57 ARG HBx B 58 VAL H 1.0 0.0 6.0 1170 1157 B 87 ARG H B 86 VAL HA 1.0 1.9 4.5 1171 1158 B 87 ARG H B 87 ARG HA 1.0 1.9 3.9 1172 1159 B 56 HIS HA B 56 HIS H 1.0 1.8 3.8 1173 1160 B 55 VAL HA B 56 HIS H 1.0 0.0 6.0 1174 1161 B 57 ARG H B 56 HIS H 1.0 1.8 4.0 1175 1162 B 56 HIS H B 55 VAL H 1.0 1.9 3.9 1176 1163 B 56 HIS H B 54 ALA H 1.0 2.0 5.4 1177 1164 B 58 VAL H B 56 HIS H 1.0 1.9 4.9 1178 1165 B 32 VAL H B 33 ASP H 1.0 1.7 3.5 1179 1166 B 33 ASP H B 32 VAL HA 1.0 1.9 4.5 1180 1167 B 33 ASP H B 33 ASP HA 1.0 1.8 3.8 1181 1168 B 33 ASP H B 34 GLY HAx 1.0 1.9 4.7 1182 1169 B 33 ASP H B 33 ASP HBx 1.0 2.0 4.8 1183 1170 B 33 ASP H B 33 ASP HBy 1.0 1.9 3.9 1184 1171 B 33 ASP H B 32 VAL HB 1.0 1.8 3.6 1185 1172 B 42 THR H B 43 SER H 1.0 1.8 3.6 1186 1173 B 44 LEU H B 43 SER H 1.0 1.8 3.6 1187 1174 B 43 SER H B 44 LEU HA 1.0 0.0 6.0 1188 1175 B 43 SER H B 40 PHE HA 1.0 1.9 4.1 1189 1176 B 43 SER H B 42 THR HA 1.0 1.9 3.9 1190 1177 B 31 LEU H B 31 LEU HA 1.0 1.9 4.3 1191 1178 B 31 LEU H B 30 VAL HB 1.0 1.9 4.1 1192 1179 B 11 GLN H B 11 GLN HGx 1.0 1.8 3.8 1193 1180 B 11 GLN H B 11 GLN HBy 1.0 1.7 3.3 1194 1181 B 11 GLN H B 10 PHE H 1.0 1.9 4.3 1195 1182 B 11 GLN H B 8 SER HA 1.0 1.9 4.5 1196 1183 B 11 GLN H B 12 GLU HA 1.0 0.0 6.0 1197 1184 B 11 GLN H B 11 GLN HA 1.0 1.8 3.8 1198 1185 B 54 ALA HA B 55 VAL H 1.0 1.9 4.5 1199 1186 B 55 VAL HA B 55 VAL H 1.0 1.9 3.9 1200 1187 B 55 VAL H B 55 VAL HB 1.0 1.8 3.4 1201 1188 B 99 THR H B 99 THR HA 1.0 1.7 2.9 1202 1189 B 99 THR H B 99 THR HB 1.0 0.0 6.0 1203 1190 B 98 GLU HBx B 99 THR H 1.0 1.9 4.3 1204 1191 B 99 THR H B 99 THR HG1 1.0 1.8 3.8 1205 1192 B 52 SER H B 54 ALA H 1.0 2.0 5.4 1206 1193 B 52 SER H B 52 SER HBy 1.0 1.7 3.5 1207 1194 B 52 SER H B 52 SER HBx 1.0 1.6 3.0 1208 1195 B 52 SER H B 51 VAL HA 1.0 1.9 4.5 1209 1196 B 52 SER H B 51 VAL HB 1.0 1.8 3.6 1210 1197 B 16 GLY H B 16 GLY HAx 1.0 1.8 3.8 1211 1198 B 15 GLN HGx B 16 GLY H 1.0 1.9 4.7 1212 1199 B 16 GLY H B 15 GLN HBx 1.0 1.9 4.5 1213 1200 B 77 VAL H B 76 ALA H 1.0 2.0 5.6 1214 1201 B 14 ILE H B 12 GLU H 1.0 2.0 5.6 1215 1202 B 100 LYS H B 100 LYS HA 1.0 1.6 3.0 1216 1203 B 34 GLY H B 34 GLY HAy 1.0 1.7 3.3 1217 1204 B 34 GLY H B 34 GLY HAx 1.0 1.7 3.3 1218 1205 B 47 THR H B 49 GLY H 1.0 2.0 5.6 1219 1206 B 47 THR HA B 49 GLY H 1.0 2.0 5.8 1220 1207 B 48 ARG HA B 49 GLY H 1.0 1.9 4.3 1221 1208 B 48 ARG HBy B 49 GLY H 1.0 2.0 5.6 1222 1208 B 49 GLY H B 48 ARG HBx 1.0 2.0 5.6 1223 1209 B 45 GLY H B 45 GLY HAy 1.0 0.0 6.0 1224 1210 B 6 THR H B 10 PHE H 1.0 2.0 5.6 1225 1211 B 53 GLN H B 54 ALA H 1.0 1.8 3.6 1226 1212 B 84 TYR HA B 85 ILE H 1.0 1.9 5.1 1227 1213 B 85 ILE H B 85 ILE HA 1.0 1.9 4.1 1228 1214 B 84 TYR HBx B 85 ILE H 1.0 2.0 4.6 1229 1215 B 84 TYR HBy B 85 ILE H 1.0 1.9 4.5 1230 1216 B 86 VAL HB B 85 ILE H 1.0 2.0 5.8 1231 1217 B 85 ILE HB B 85 ILE H 1.0 1.8 3.6 1232 1218 B 8 SER H B 10 PHE H 1.0 1.9 4.1 1233 1219 B 58 VAL H B 59 TRP H 1.0 1.8 3.6 1234 1220 B 72 ALA H B 71 TYR H 1.0 2.0 4.8 1235 1221 B 6 THR H B 7 GLU H 1.0 2.0 6.0 1236 1222 B 88 LYS H B 89 TRP H 1.0 1.9 4.1 1237 1223 B 72 ALA H B 73 ARG H 1.0 2.0 5.4 1238 1224 B 87 ARG H B 88 LYS H 1.0 1.9 4.1 1239 1225 B 54 ALA H B 55 VAL H 1.0 1.8 3.6 1240 1226 B 88 LYS H B 88 LYS HA 1.0 1.8 3.6 1241 1227 B 88 LYS H B 87 ARG HA 1.0 1.9 4.5 1242 1228 B 77 VAL H B 78 LEU HA 1.0 2.0 6.0 1243 1229 B 50 ALA H B 49 GLY H 1.0 2.0 5.8 1244 1230 B 19 VAL H B 18 GLU H 1.0 1.9 3.9 1245 1231 B 19 VAL H B 18 GLU HA 1.0 1.5 2.7 1246 1232 B 19 VAL HB B 19 VAL H 1.0 0.0 6.0 1247 1233 B 23 THR H B 22 GLN HBy 1.0 1.7 3.5 1248 1234 B 19 VAL H B 18 GLU HBy 1.0 1.9 4.3 1249 1235 B 19 VAL H B 17 LEU HBx 1.0 0.0 6.0 1250 1236 B 19 VAL H B 17 LEU HBy 1.0 0.0 6.0 1251 1237 B 23 THR H B 22 GLN HA 1.0 1.9 4.3 1252 1238 B 31 LEU H B 30 VAL H 1.0 1.9 3.9 1253 1239 B 29 GLY H B 30 VAL H 1.0 1.9 4.7 1254 1240 B 58 VAL H B 55 VAL H 1.0 2.0 5.8 1255 1241 B 29 GLY H B 33 ASP H 1.0 2.0 5.8 1256 1242 B 29 GLY H B 27 ALA H 1.0 2.0 5.8 1257 1243 B 4 ARG H B 3 LYS H 1.0 2.0 5.0 1258 1244 B 6 THR H B 8 SER H 1.0 1.9 6.0 1259 1245 B 9 GLN H B 7 GLU H 1.0 2.0 6.0 1260 1246 B 10 PHE H B 12 GLU H 1.0 2.0 6.0 1261 1247 B 10 PHE H B 10 PHE HA 1.0 1.8 4.0 1262 1248 B 10 PHE HBy B 10 PHE H 1.0 1.9 3.9 1263 1249 B 31 LEU H B 33 ASP H 1.0 2.0 5.6 1264 1250 B 35 LYS H B 33 ASP H 1.0 2.0 5.6 1265 1251 B 39 THR H B 40 PHE H 1.0 1.8 3.4 1266 1252 B 40 PHE H B 38 ALA H 1.0 2.0 6.0 1267 1253 B 41 ALA H B 43 SER H 1.0 2.0 5.6 1268 1254 B 48 ARG H B 49 GLY H 1.0 2.0 6.0 1269 1255 B 53 GLN H B 55 VAL H 1.0 1.9 4.9 1270 1256 B 60 ALA H B 57 ARG H 1.0 2.0 5.6 1271 1257 B 65 LYS H B 63 GLU H 1.0 2.0 5.6 1272 1258 B 61 ALA H B 63 GLU H 1.0 2.0 5.0 1273 1259 B 67 LEU H B 65 LYS H 1.0 2.0 6.0 1274 1260 B 66 ASN H B 64 ASP H 1.0 2.0 5.8 1275 1261 B 82 GLN H B 84 TYR H 1.0 2.0 5.6 1276 1262 B 6 THR H B 5 LEU H 1.0 2.0 5.4 1277 1263 B 4 ARG H B 5 LEU H 1.0 1.9 4.7 1278 1264 B 6 THR H B 5 LEU HBx 1.0 2.0 5.8 1279 1265 B 6 THR H B 5 LEU HBy 1.0 2.0 5.8 1280 1266 B 31 LEU H B 30 VAL HA 1.0 2.0 5.6 1281 1267 B 65 LYS H B 64 ASP HBx 1.0 1.9 4.3 1282 1268 B 65 LYS H B 64 ASP HBy 1.0 1.9 4.3 1283 1269 B 44 LEU H B 43 SER HBx 1.0 1.8 3.8 1284 1270 B 44 LEU H B 43 SER HBy 1.0 1.8 3.8 1285 1271 B 57 ARG H B 56 HIS HBy 1.0 1.8 3.6 1286 1271 B 57 ARG H B 56 HIS HBx 1.0 1.8 3.6 1287 1272 B 82 GLN H B 81 HIS HBy 1.0 1.9 5.5 1288 1273 B 82 GLN H B 81 HIS HBx 1.0 2.0 5.6 1289 1274 B 18 GLU H B 17 LEU HBx 1.0 1.9 4.5 1290 1275 B 28 ARG H B 24 ILE HA 1.0 2.0 5.8 1291 1276 B 35 LYS H B 34 GLY HAx 1.0 1.9 4.1 1292 1277 B 35 LYS H B 34 GLY HAy 1.0 1.9 4.1 1293 1278 B 39 THR H B 40 PHE HA 1.0 2.0 5.8 1294 1279 B 53 GLN H B 53 GLN HA 1.0 1.7 3.1 1295 1280 B 53 GLN H B 52 SER HBx 1.0 0.0 6.0 1296 1281 B 63 GLU H B 63 GLU HA 1.0 1.8 3.6 1297 1282 B 63 GLU H B 62 PHE HA 1.0 1.8 3.8 1298 1283 B 63 GLU H B 64 ASP HA 1.0 2.0 6.0 1299 1284 B 71 TYR H B 71 TYR HA 1.0 1.9 4.1 1300 1285 B 70 GLY HAy B 71 TYR H 1.0 1.8 4.0 1301 1286 B 71 TYR H B 71 TYR HBx 1.0 1.8 3.8 1302 1287 B 71 TYR H B 71 TYR HBy 1.0 1.9 4.1 1303 1288 B 82 GLN H B 83 ALA HA 1.0 0.0 6.0 1304 1289 B 89 TRP HA B 89 TRP H 1.0 1.8 4.0 1305 1290 B 89 TRP H B 88 LYS HA 1.0 1.8 3.6 1306 1291 B 89 TRP HA B 90 GLU H 1.0 1.9 4.1 1307 1292 B 90 GLU H B 90 GLU HA 1.0 1.8 3.8 1308 1293 B 91 ALA H B 90 GLU HA 1.0 1.8 3.8 1309 1294 B 91 ALA H B 92 ASP HA 1.0 2.0 5.2 1310 1295 B 93 ALA HA B 92 ASP H 1.0 2.0 5.6 1311 1296 B 99 THR H B 98 GLU HA 1.0 1.7 3.1 1312 1297 B 50 ALA H B 47 THR HA 1.0 2.0 5.6 1313 1298 B 50 ALA H B 51 VAL HA 1.0 2.0 6.0 1314 1299 B 43 SER H B 40 PHE HBx 1.0 2.0 5.8 1315 1300 B 14 ILE H B 12 GLU HBx 1.0 2.0 5.6 1316 1300 B 14 ILE H B 12 GLU HBy 1.0 2.0 5.6 1317 1301 B 89 TRP HA B 89 TRP HE1 1.0 0.0 6.0 1318 1302 B 89 TRP HE1 B 89 TRP HZ2 1.0 1.7 3.3 1319 1303 B 89 TRP HE1 B 89 TRP HD1 1.0 1.6 3.0 1320 1304 B 89 TRP HE1 B 89 TRP HH2 1.0 0.0 6.0 1321 1305 B 59 TRP HE1 B 59 TRP HZ2 1.0 1.7 3.5 1322 1306 B 59 TRP HH2 B 59 TRP HE1 1.0 2.0 5.6 1323 1307 B 59 TRP HE1 B 59 TRP HD1 1.0 1.6 3.0 1324 1308 B 74 VAL HB B 76 ALA H 1.0 2.0 5.8 1325 1309 B 100 LYS H B 100 LYS HBx 1.0 1.8 3.4 1326 1310 B 100 LYS H B 100 LYS HGx 1.0 1.9 4.3 1327 1311 B 97 GLN HE2x B 97 GLN HE2y 1.0 1.4 2.2 1328 1312 B 16 GLY H B 17 LEU HBy 1.0 2.0 5.8 1329 1313 B 27 ALA H B 26 ILE H 1.0 1.8 3.6 1330 1314 B 23 THR HA B 26 ILE H 1.0 2.0 4.8 1331 1315 B 26 ILE H B 26 ILE HA 1.0 1.9 3.9 1332 1316 B 26 ILE H B 26 ILE HB 1.0 1.8 3.4 1333 1317 B 26 ILE H B 26 ILE HG1x 1.0 2.0 6.0 1334 1318 B 29 GLY HAy B 30 VAL H 1.0 1.9 4.5 1335 1319 B 30 VAL H B 30 VAL HA 1.0 1.8 4.0 1336 1320 B 63 GLU H B 62 PHE HBy 1.0 1.9 4.1 1337 1321 B 62 PHE HBx B 63 GLU H 1.0 1.9 4.1 1338 1322 B 48 ARG HE B 48 ARG HDy 1.0 2.0 5.4 1339 1323 B 4 ARG HE B 4 ARG HDy 1.0 2.0 5.8 1340 1324 B 81 HIS HA B 81 HIS H 1.0 2.0 4.8 1341 1325 B 81 HIS H B 80 GLU HA 1.0 2.0 5.8 1342 1326 B 81 HIS H B 81 HIS HBy 1.0 2.0 5.0 1343 1327 B 81 HIS H B 81 HIS HBx 1.0 2.0 5.2 1344 1328 B 5 LEU H B 4 ARG HA 1.0 1.7 3.3 1345 1329 B 5 LEU H B 5 LEU HA 1.0 1.8 4.2 1346 1330 B 5 LEU H B 4 ARG HDy 1.0 2.0 5.2 1347 1331 B 5 LEU H B 5 LEU HBy 1.0 1.9 3.9 1348 1332 B 5 LEU H B 4 ARG HBy 1.0 1.9 4.1 1349 1333 B 28 ARG H B 26 ILE H 1.0 1.9 6.0 1350 1334 B 85 ILE H B 82 GLN HA 1.0 2.0 5.0 1351 1335 B 83 ALA H B 84 TYR HBy 1.0 2.0 5.6 1352 1336 B 74 VAL H B 75 THR HA 1.0 2.0 5.8 1353 1337 B 74 VAL H A 76 ALA H 1.0 2.0 4.4 1354 1338 A 75 THR HA A 76 ALA H 1.0 2.0 4.4 1355 1339 A 76 ALA HA A 76 ALA H 1.0 1.9 4.3 1356 1340 A 75 THR HB A 76 ALA H 1.0 2.0 4.8 1357 1341 A 74 VAL H A 73 ARG HA 1.0 1.8 3.6 1358 1342 A 74 VAL H A 74 VAL HA 1.0 1.8 4.2 1359 1343 A 74 VAL H A 74 VAL HB 1.0 1.9 4.5 1360 1344 A 74 VAL H A 73 ARG HBx 1.0 2.0 5.0 1361 1345 A 78 LEU H A 78 LEU HA 1.0 1.9 4.3 1362 1346 A 78 LEU H A 77 VAL HA 1.0 1.8 3.8 1363 1347 A 72 ALA H A 71 TYR HA 1.0 1.8 3.6 1364 1348 A 72 ALA H A 72 ALA HA 1.0 1.9 4.3 1365 1349 A 72 ALA H A 71 TYR HBy 1.0 2.0 4.6 1366 1350 A 72 ALA H A 71 TYR HBx 1.0 1.9 4.5 1367 1351 A 74 VAL H B 76 ALA H 1.0 2.0 4.4 1368 1352 B 75 THR HA B 76 ALA H 1.0 2.0 4.4 1369 1353 B 76 ALA HA B 76 ALA H 1.0 1.9 4.3 1370 1354 B 75 THR HB B 76 ALA H 1.0 2.0 4.8 1371 1355 B 74 VAL H B 73 ARG HA 1.0 1.8 3.6 1372 1356 B 74 VAL H B 74 VAL HA 1.0 1.8 4.2 1373 1357 B 74 VAL H B 74 VAL HB 1.0 1.9 4.5 1374 1358 B 74 VAL H B 73 ARG HBx 1.0 2.0 5.0 1375 1359 B 78 LEU H B 78 LEU HA 1.0 1.9 4.3 1376 1360 B 78 LEU H B 77 VAL HA 1.0 1.8 3.8 1377 1361 B 72 ALA H B 71 TYR HA 1.0 1.8 3.6 1378 1362 B 72 ALA H B 72 ALA HA 1.0 1.9 4.3 1379 1363 B 72 ALA H B 71 TYR HBx 1.0 2.0 4.6 1380 1364 B 72 ALA H B 71 TYR HBy 1.0 1.9 4.5 1381 1365 B 74 VAL HB A 80 GLU HA 1.0 0.0 6.0 1382 1366 A 7 GLU HA A 11 GLN HBx 1.0 0.0 6.0 1383 1367 A 89 TRP HB3 A 90 GLU HA 1.0 0.0 6.0 1384 1368 A 74 VAL HA A 74 VAL HB 1.0 1.7 3.3 1385 1369 A 8 SER HA A 8 SER HB3 1.0 0.0 6.0 1386 1370 A 31 LEU HA A 4 ARG HA 1.0 1.9 4.1 1387 1371 A 17 LEU HA A 17 LEU HG 1.0 0.0 6.0 1388 1372 A 17 LEU HA A 17 LEU HBx 1.0 1.6 2.8 1389 1373 A 36 PRO HA A 35 LYS HA 1.0 0.0 6.0 1390 1374 A 18 GLU HA A 18 GLU HB3 1.0 1.7 2.9 1391 1375 A 86 VAL HB A 83 ALA HA 1.0 1.8 3.8 1392 1376 A 3 LYS HA A 3 LYS HBy 1.0 1.7 3.3 1393 1377 A 3 LYS HA A 3 LYS HD3 1.0 0.0 6.0 1394 1378 A 3 LYS HA A 3 LYS HG2 1.0 1.7 3.3 1395 1379 A 4 ARG HGx A 33 ASP HBx 1.0 0.0 6.0 1396 1380 A 33 ASP HBy A 29 GLY HAx 1.0 1.9 4.1 1397 1381 A 29 GLY HAy A 33 ASP HBy 1.0 1.8 3.8 1398 1382 A 29 GLY HAy A 33 ASP HBx 1.0 0.0 6.0 1399 1383 A 33 ASP HBx A 29 GLY HAx 1.0 1.9 4.1 1400 1384 A 12 GLU HBy A 12 GLU HA 1.0 1.6 2.8 1401 1385 A 15 GLN HBx A 12 GLU HA 1.0 0.0 6.0 1402 1386 A 23 THR HG1 A 19 VAL HB 1.0 0.0 6.0 1403 1387 A 14 ILE HG1y A 11 GLN HA 1.0 1.7 3.5 1404 1388 A 14 ILE HG1x A 11 GLN HA 1.0 1.8 3.6 1405 1389 A 90 GLU HB3 A 90 GLU HA 1.0 1.7 3.1 1406 1390 A 92 ASP HBx A 90 GLU HA 1.0 0.0 6.0 1407 1391 A 90 GLU HA A 86 VAL HA 1.0 0.0 6.0 1408 1392 A 73 ARG HA B 77 VAL HA 1.0 1.9 4.3 1409 1393 A 68 PRO HBy A 68 PRO HDy 1.0 0.0 6.0 1410 1394 A 68 PRO HDy A 68 PRO HBx 1.0 0.0 6.0 1411 1395 A 46 LEU HA A 46 LEU HBy 1.0 1.8 3.4 1412 1396 A 92 ASP HBy A 92 ASP HA 1.0 1.7 3.3 1413 1397 A 92 ASP HBx A 92 ASP HA 1.0 1.7 3.3 1414 1398 A 92 ASP HA A 95 LYS HBy 1.0 0.0 6.0 1415 1399 A 92 ASP HA A 95 LYS HBx 1.0 1.8 3.6 1416 1400 A 14 ILE HA A 14 ILE HB 1.0 1.7 3.1 1417 1401 A 14 ILE HA A 17 LEU HBx 1.0 0.0 6.0 1418 1402 A 55 VAL HB A 37 GLN HG2 1.0 0.0 6.0 1419 1403 A 46 LEU HBy A 41 ALA HA 1.0 0.0 6.0 1420 1404 A 6 THR HG1 A 5 LEU HA 1.0 0.0 6.0 1421 1405 A 56 HIS HBx A 53 GLN HA 1.0 1.7 3.1 1422 1406 A 19 VAL HA A 20 GLY HAx 1.0 0.0 6.0 1423 1407 A 21 GLN HA A 25 GLU HBx 1.0 0.0 6.0 1424 1408 A 53 GLN HGx A 53 GLN HA 1.0 1.7 3.1 1425 1409 A 25 GLU HGx A 22 GLN HA 1.0 0.0 6.0 1426 1410 A 22 GLN HA A 22 GLN HB3 1.0 1.6 3.0 1427 1411 A 22 GLN HA A 25 GLU HBx 1.0 1.7 3.3 1428 1412 A 28 ARG HB3 A 28 ARG HA 1.0 1.7 3.5 1429 1413 A 28 ARG HA A 32 VAL HB 1.0 1.9 4.1 1430 1414 A 44 LEU HBx A 44 LEU HA 1.0 1.7 3.1 1431 1415 A 42 THR HG1 A 39 THR HA 1.0 0.0 6.0 1432 1416 A 43 SER HBx A 40 PHE HA 1.0 1.7 3.5 1433 1417 A 50 ALA HA A 53 GLN HBy 1.0 1.7 3.3 1434 1418 A 23 THR HG1 A 54 ALA HA 1.0 0.0 6.0 1435 1419 A 55 VAL HA A 27 ALA HA 1.0 1.8 3.8 1436 1420 A 57 ARG HA A 57 ARG HDx 1.0 1.8 3.6 1437 1421 A 58 VAL HA A 24 ILE HG1y 1.0 0.0 6.0 1438 1421 A 58 VAL HA A 24 ILE HG1x 1.0 0.0 6.0 1439 1422 A 100 LYS HA A 100 LYS HD3 1.0 0.0 6.0 1440 1423 A 65 LYS HA A 65 LYS HD3 1.0 0.0 6.0 1441 1424 A 65 LYS HG2 A 65 LYS HA 1.0 1.7 3.1 1442 1425 A 99 THR HG1 A 99 THR HA 1.0 0.0 6.0 1443 1426 A 71 TYR HA A 71 TYR HBx 1.0 1.9 4.3 1444 1427 A 73 ARG HBx A 73 ARG HA 1.0 1.9 4.3 1445 1428 A 77 VAL HA B 73 ARG HBx 1.0 1.9 4.5 1446 1429 A 86 VAL HA A 87 ARG HA 1.0 0.0 6.0 1447 1430 A 10 PHE HBx A 7 GLU HA 1.0 1.9 4.5 1448 1431 A 92 ASP HBx A 88 LYS HA 1.0 0.0 6.0 1449 1432 A 88 LYS HB3 A 88 LYS HA 1.0 1.7 3.1 1450 1433 A 24 ILE HG1x A 22 GLN HA 1.0 0.0 6.0 1451 1433 A 24 ILE HG1y A 22 GLN HA 1.0 0.0 6.0 1452 1434 A 89 TRP HA A 92 ASP HBy 1.0 1.9 4.1 1453 1435 A 91 ALA HA A 94 LYS HBx 1.0 0.0 6.0 1454 1436 A 95 LYS HBx A 95 LYS HA 1.0 1.6 3.0 1455 1437 A 95 LYS HGx A 95 LYS HA 1.0 1.7 2.9 1456 1438 A 2 LYS HA A 2 LYS HGy 1.0 1.6 3.0 1457 1439 A 68 PRO HBy A 68 PRO HA 1.0 1.7 3.3 1458 1440 A 57 ARG HG2 A 57 ARG HBy 1.0 1.9 4.3 1459 1441 A 14 ILE HG1y A 14 ILE HG1x 1.0 1.7 3.1 1460 1442 A 92 ASP HBx A 92 ASP HBy 1.0 1.6 3.0 1461 1443 A 40 PHE HBy A 40 PHE HA 1.0 1.7 3.3 1462 1443 A 40 PHE HA A 40 PHE HBx 1.0 1.7 3.3 1463 1444 A 43 SER HA A 43 SER HBy 1.0 1.5 2.5 1464 1444 A 43 SER HA A 43 SER HBx 1.0 1.5 2.5 1465 1445 A 48 ARG HA A 52 SER HBx 1.0 0.0 6.0 1466 1446 A 17 LEU HBx A 14 ILE HB 1.0 0.0 6.0 1467 1447 A 3 LYS HBy A 3 LYS HD3 1.0 1.7 3.3 1468 1448 A 3 LYS HBx A 3 LYS HD3 1.0 1.8 3.4 1469 1449 A 46 LEU HBy A 46 LEU HG 1.0 1.8 3.4 1470 1450 A 46 LEU HBx A 46 LEU HG 1.0 1.8 3.6 1471 1451 A 46 LEU HBy A 26 ILE HG1x 1.0 0.0 6.0 1472 1452 A 53 GLN HA A 53 GLN HBy 1.0 1.6 3.0 1473 1453 A 53 GLN HA A 53 GLN HBx 1.0 1.6 3.0 1474 1453 A 53 GLN HA A 53 GLN HBy 1.0 1.6 3.0 1475 1454 A 15 GLN HBx A 14 ILE HB 1.0 0.0 6.0 1476 1455 A 95 LYS HD3 A 100 LYS HE2 1.0 0.0 6.0 1477 1456 A 14 ILE HA A 17 LEU HBy 1.0 1.8 3.8 1478 1457 A 14 ILE HB A 17 LEU HBy 1.0 1.9 4.1 1479 1458 A 74 VAL HB B 86 VAL HB 1.0 0.0 6.0 1480 1459 A 74 VAL HB B 80 GLU HA 1.0 0.0 6.0 1481 1460 B 7 GLU HA B 11 GLN HBx 1.0 0.0 6.0 1482 1461 B 89 TRP HBy B 90 GLU HA 1.0 0.0 6.0 1483 1462 B 74 VAL HA B 74 VAL HB 1.0 1.7 3.3 1484 1463 B 8 SER HA B 8 SER HBy 1.0 0.0 6.0 1485 1464 B 31 LEU HA B 4 ARG HA 1.0 1.9 4.1 1486 1465 B 17 LEU HA B 17 LEU HG 1.0 0.0 6.0 1487 1466 B 17 LEU HA B 17 LEU HBy 1.0 1.6 2.8 1488 1467 B 36 PRO HA B 35 LYS HA 1.0 0.0 6.0 1489 1468 B 18 GLU HA B 18 GLU HBy 1.0 1.7 2.9 1490 1469 B 86 VAL HB B 83 ALA HA 1.0 1.8 3.8 1491 1470 B 3 LYS HA B 3 LYS HBy 1.0 1.7 3.3 1492 1471 B 3 LYS HA B 3 LYS HDy 1.0 0.0 6.0 1493 1472 B 3 LYS HA B 3 LYS HGx 1.0 1.7 3.3 1494 1473 B 4 ARG HGx B 33 ASP HBy 1.0 0.0 6.0 1495 1474 B 33 ASP HBx B 29 GLY HAx 1.0 1.9 4.1 1496 1475 B 29 GLY HAy B 33 ASP HBx 1.0 1.8 3.8 1497 1476 B 29 GLY HAy B 33 ASP HBy 1.0 0.0 6.0 1498 1477 B 33 ASP HBy B 29 GLY HAx 1.0 1.9 4.1 1499 1478 B 12 GLU HBy B 12 GLU HA 1.0 1.6 2.8 1500 1479 B 15 GLN HBx B 12 GLU HA 1.0 0.0 6.0 1501 1480 B 23 THR HG1 B 19 VAL HB 1.0 0.0 6.0 1502 1481 B 14 ILE HG1x B 11 GLN HA 1.0 1.7 3.5 1503 1482 B 14 ILE HG1y B 11 GLN HA 1.0 1.8 3.6 1504 1483 B 90 GLU HBy B 90 GLU HA 1.0 1.7 3.1 1505 1484 B 92 ASP HBx B 90 GLU HA 1.0 0.0 6.0 1506 1485 B 90 GLU HA B 86 VAL HA 1.0 0.0 6.0 1507 1486 A 77 VAL HA B 73 ARG HA 1.0 1.9 4.3 1508 1487 B 68 PRO HBy B 68 PRO HDy 1.0 0.0 6.0 1509 1488 B 68 PRO HDy B 68 PRO HBx 1.0 0.0 6.0 1510 1489 B 46 LEU HA B 46 LEU HBy 1.0 1.8 3.4 1511 1490 B 92 ASP HBy B 92 ASP HA 1.0 1.7 3.3 1512 1491 B 92 ASP HBx B 92 ASP HA 1.0 1.7 3.3 1513 1492 B 92 ASP HA B 95 LYS HBy 1.0 0.0 6.0 1514 1493 B 92 ASP HA B 95 LYS HBx 1.0 1.8 3.6 1515 1494 B 14 ILE HA B 14 ILE HB 1.0 1.7 3.1 1516 1495 B 14 ILE HA B 17 LEU HBy 1.0 0.0 6.0 1517 1496 B 55 VAL HB B 37 GLN HGx 1.0 0.0 6.0 1518 1497 B 46 LEU HBy B 41 ALA HA 1.0 0.0 6.0 1519 1498 B 6 THR HG1 B 5 LEU HA 1.0 0.0 6.0 1520 1499 B 56 HIS HBx B 53 GLN HA 1.0 1.7 3.1 1521 1500 B 19 VAL HA B 20 GLY HAx 1.0 0.0 6.0 1522 1501 B 21 GLN HA B 25 GLU HBx 1.0 0.0 6.0 1523 1502 B 53 GLN HGx B 53 GLN HA 1.0 1.7 3.1 1524 1503 B 25 GLU HGx B 22 GLN HA 1.0 0.0 6.0 1525 1504 B 22 GLN HA B 22 GLN HBy 1.0 1.6 3.0 1526 1505 B 22 GLN HA B 25 GLU HBx 1.0 1.7 3.3 1527 1506 B 28 ARG HBy B 28 ARG HA 1.0 1.7 3.5 1528 1507 B 28 ARG HA B 32 VAL HB 1.0 1.9 4.1 1529 1508 B 44 LEU HBx B 44 LEU HA 1.0 1.7 3.1 1530 1509 B 42 THR HG1 B 39 THR HA 1.0 0.0 6.0 1531 1510 B 43 SER HBx B 40 PHE HA 1.0 1.7 3.5 1532 1511 B 50 ALA HA B 53 GLN HBx 1.0 1.7 3.3 1533 1512 B 23 THR HG1 B 54 ALA HA 1.0 0.0 6.0 1534 1513 B 55 VAL HA B 27 ALA HA 1.0 1.8 3.8 1535 1514 B 57 ARG HA B 57 ARG HDy 1.0 1.8 3.6 1536 1515 B 58 VAL HA B 24 ILE HG1y 1.0 0.0 6.0 1537 1515 B 58 VAL HA B 24 ILE HG1x 1.0 0.0 6.0 1538 1516 B 100 LYS HA B 100 LYS HDy 1.0 0.0 6.0 1539 1517 B 65 LYS HA B 65 LYS HDy 1.0 0.0 6.0 1540 1518 B 65 LYS HGx B 65 LYS HA 1.0 1.7 3.1 1541 1519 B 99 THR HG1 B 99 THR HA 1.0 0.0 6.0 1542 1520 B 71 TYR HA B 71 TYR HBy 1.0 1.9 4.3 1543 1521 B 73 ARG HBx B 73 ARG HA 1.0 1.9 4.3 1544 1522 A 73 ARG HBx B 77 VAL HA 1.0 1.9 4.5 1545 1523 B 86 VAL HA B 87 ARG HA 1.0 0.0 6.0 1546 1524 B 10 PHE HBy B 7 GLU HA 1.0 1.9 4.5 1547 1525 B 92 ASP HBx B 88 LYS HA 1.0 0.0 6.0 1548 1526 B 88 LYS HBy B 88 LYS HA 1.0 1.7 3.1 1549 1527 B 24 ILE HG1x B 22 GLN HA 1.0 0.0 6.0 1550 1527 B 24 ILE HG1y B 22 GLN HA 1.0 0.0 6.0 1551 1528 B 89 TRP HA B 92 ASP HBy 1.0 1.9 4.1 1552 1529 B 91 ALA HA B 94 LYS HBx 1.0 0.0 6.0 1553 1530 B 95 LYS HBx B 95 LYS HA 1.0 1.6 3.0 1554 1531 B 95 LYS HGx B 95 LYS HA 1.0 1.7 2.9 1555 1532 B 2 LYS HA B 2 LYS HGy 1.0 1.6 3.0 1556 1533 B 68 PRO HBy B 68 PRO HA 1.0 1.7 3.3 1557 1534 B 57 ARG HGx B 57 ARG HBy 1.0 1.9 4.3 1558 1535 B 14 ILE HG1x B 14 ILE HG1y 1.0 1.7 3.1 1559 1536 B 92 ASP HBx B 92 ASP HBy 1.0 1.6 3.0 1560 1537 B 40 PHE HBy B 40 PHE HA 1.0 1.7 3.3 1561 1537 B 40 PHE HA B 40 PHE HBx 1.0 1.7 3.3 1562 1538 B 43 SER HA B 43 SER HBy 1.0 1.5 2.5 1563 1538 B 43 SER HA B 43 SER HBx 1.0 1.5 2.5 1564 1539 B 48 ARG HA B 52 SER HBx 1.0 0.0 6.0 1565 1540 B 17 LEU HBy B 14 ILE HB 1.0 0.0 6.0 1566 1541 B 3 LYS HBy B 3 LYS HDy 1.0 1.7 3.3 1567 1542 B 3 LYS HBx B 3 LYS HDy 1.0 1.8 3.4 1568 1543 B 46 LEU HBy B 46 LEU HG 1.0 1.8 3.4 1569 1544 B 46 LEU HBx B 46 LEU HG 1.0 1.8 3.6 1570 1545 B 46 LEU HBy B 26 ILE HG1x 1.0 0.0 6.0 1571 1546 B 53 GLN HA B 53 GLN HBx 1.0 1.6 3.0 1572 1547 B 53 GLN HA B 53 GLN HBy 1.0 1.6 3.0 1573 1547 B 53 GLN HA B 53 GLN HBx 1.0 1.6 3.0 1574 1548 B 15 GLN HBx B 14 ILE HB 1.0 0.0 6.0 1575 1549 B 95 LYS HDy B 100 LYS HEx 1.0 0.0 6.0 1576 1550 B 14 ILE HA B 17 LEU HBx 1.0 1.8 3.8 1577 1551 B 14 ILE HB B 17 LEU HBx 1.0 1.9 4.1 1578 1552 A 86 VAL HB B 74 VAL HB 1.0 0.0 6.0 1579 1553 A 56 HIS HA A 56 HIS HBx 1.0 1.7 2.9 1580 1554 A 47 THR HG1 A 47 THR HA 1.0 0.0 6.0 1581 1555 A 6 THR HA A 6 THR HG1 1.0 0.0 6.0 1582 1556 A 40 PHE HA A 40 PHE HBx 1.0 1.7 2.9 1583 1557 A 79 PRO HB3 A 79 PRO HA 1.0 1.7 3.3 1584 1558 A 75 THR HA A 75 THR HG1 1.0 0.0 6.0 1585 1559 A 42 THR HG1 A 42 THR HA 1.0 1.5 2.7 1586 1560 A 23 THR HG1 A 23 THR HA 1.0 0.0 6.0 1587 1561 A 23 THR HB A 23 THR HA 1.0 1.8 3.8 1588 1562 A 23 THR HA A 24 ILE HB 1.0 0.0 6.0 1589 1563 A 68 PRO HDy A 68 PRO HA 1.0 0.0 6.0 1590 1564 A 68 PRO HA A 68 PRO HDx 1.0 0.0 6.0 1591 1565 A 66 ASN HA A 66 ASN HBy 1.0 1.7 3.1 1592 1566 A 66 ASN HA A 66 ASN HBx 1.0 1.7 3.1 1593 1567 A 4 ARG HBy A 4 ARG HA 1.0 1.8 3.6 1594 1568 A 4 ARG HGy A 4 ARG HA 1.0 1.8 3.6 1595 1569 A 4 ARG HGx A 4 ARG HA 1.0 1.9 4.1 1596 1570 A 4 ARG HA A 4 ARG HDy 1.0 0.0 6.0 1597 1571 A 4 ARG HDx A 4 ARG HA 1.0 0.0 6.0 1598 1572 A 17 LEU HA A 18 GLU HB3 1.0 0.0 6.0 1599 1573 A 33 ASP HA A 33 ASP HBy 1.0 1.7 3.3 1600 1574 A 33 ASP HBx A 33 ASP HA 1.0 1.7 3.1 1601 1575 A 33 ASP HBx A 33 ASP HBy 1.0 1.7 3.1 1602 1576 A 75 THR HB A 75 THR HG1 1.0 0.0 6.0 1603 1577 A 6 THR HA A 6 THR HB 1.0 1.8 3.4 1604 1578 A 47 THR HB A 47 THR HA 1.0 1.7 3.1 1605 1579 A 47 THR HG1 A 47 THR HB 1.0 1.6 2.8 1606 1580 A 6 THR HG1 A 6 THR HB 1.0 1.6 2.8 1607 1581 A 75 THR HB A 75 THR HA 1.0 1.7 3.1 1608 1582 A 19 VAL HB A 19 VAL HA 1.0 1.6 3.0 1609 1583 A 42 THR HG1 A 42 THR HB 1.0 0.0 6.0 1610 1584 A 39 THR HG1 A 39 THR HB 1.0 1.6 2.6 1611 1585 A 23 THR HG1 A 23 THR HB 1.0 1.6 2.8 1612 1586 A 11 GLN HA A 11 GLN HBy 1.0 1.7 3.3 1613 1587 A 11 GLN HG2 A 11 GLN HA 1.0 1.8 3.6 1614 1588 A 48 ARG HA A 48 ARG HDx 1.0 0.0 6.0 1615 1589 A 48 ARG HA A 48 ARG HBx 1.0 1.6 2.8 1616 1589 A 48 ARG HA A 48 ARG HBy 1.0 1.6 2.8 1617 1590 A 48 ARG HA A 48 ARG HG2 1.0 1.8 3.8 1618 1591 A 62 PHE HBx A 61 ALA HA 1.0 0.0 6.0 1619 1592 A 68 PRO HDy A 68 PRO HDx 1.0 1.7 3.1 1620 1593 A 68 PRO HBy A 68 PRO HDx 1.0 0.0 6.0 1621 1594 A 68 PRO HBx A 68 PRO HDx 1.0 1.8 3.6 1622 1595 A 68 PRO HGy A 68 PRO HDx 1.0 1.9 3.9 1623 1596 A 68 PRO HGx A 68 PRO HDx 1.0 1.8 3.6 1624 1597 A 68 PRO HGx A 68 PRO HDy 1.0 1.8 3.8 1625 1598 A 46 LEU HA A 46 LEU HG 1.0 1.8 3.4 1626 1599 A 71 TYR HA A 70 GLY HAy 1.0 0.0 6.0 1627 1600 A 10 PHE HBy A 10 PHE HA 1.0 1.8 4.0 1628 1601 A 10 PHE HBx A 10 PHE HA 1.0 1.8 3.6 1629 1602 A 14 ILE HG1y A 14 ILE HA 1.0 1.8 3.8 1630 1603 A 14 ILE HA A 14 ILE HG1x 1.0 1.9 3.9 1631 1604 A 32 VAL HA A 32 VAL HB 1.0 1.8 3.8 1632 1605 A 24 ILE HB A 24 ILE HA 1.0 1.8 3.8 1633 1606 A 24 ILE HG1y A 24 ILE HA 1.0 1.7 3.3 1634 1606 A 24 ILE HG1x A 24 ILE HA 1.0 1.7 3.3 1635 1607 A 23 THR HG1 A 24 ILE HA 1.0 0.0 6.0 1636 1608 A 37 GLN HA A 37 GLN HG2 1.0 1.8 3.8 1637 1609 A 86 VAL HB A 85 ILE HA 1.0 0.0 6.0 1638 1610 A 7 GLU HGy A 7 GLU HA 1.0 1.8 3.6 1639 1611 A 15 GLN HGy A 15 GLN HA 1.0 1.6 3.0 1640 1612 A 15 GLN HA A 14 ILE HG1x 1.0 1.9 4.1 1641 1613 A 16 GLY HAy A 16 GLY HAx 1.0 1.6 2.8 1642 1614 A 20 GLY HAy A 20 GLY HAx 1.0 1.6 2.8 1643 1615 A 23 THR HA A 22 GLN HA 1.0 0.0 6.0 1644 1616 A 51 VAL HA A 51 VAL HB 1.0 1.8 3.8 1645 1617 A 26 ILE HA A 26 ILE HB 1.0 1.8 3.8 1646 1618 A 29 GLY HAy A 29 GLY HAx 1.0 1.8 3.4 1647 1619 A 37 GLN HBx A 36 PRO HA 1.0 0.0 6.0 1648 1620 A 57 ARG HBy A 57 ARG HA 1.0 1.7 3.1 1649 1621 A 57 ARG HA A 58 VAL HB 1.0 0.0 6.0 1650 1622 A 57 ARG HG2 A 57 ARG HA 1.0 0.0 6.0 1651 1623 A 58 VAL HA A 57 ARG HBx 1.0 0.0 6.0 1652 1624 A 62 PHE HBy A 62 PHE HA 1.0 1.8 3.6 1653 1625 A 62 PHE HBx A 62 PHE HA 1.0 1.8 3.6 1654 1626 A 63 GLU HBy A 63 GLU HA 1.0 1.6 3.0 1655 1627 A 63 GLU HBx A 63 GLU HA 1.0 1.7 3.3 1656 1628 A 64 ASP HA A 64 ASP HBx 1.0 1.7 2.9 1657 1629 A 69 GLU HG3 A 69 GLU HA 1.0 1.7 3.1 1658 1630 A 69 GLU HA A 69 GLU HBx 1.0 1.6 2.8 1659 1631 A 71 TYR HA A 71 TYR HBy 1.0 1.9 4.1 1660 1632 A 77 VAL HA A 78 LEU HA 1.0 0.0 6.0 1661 1633 A 77 VAL HB A 77 VAL HA 1.0 1.8 4.0 1662 1634 A 84 TYR HA A 85 ILE HA 1.0 0.0 6.0 1663 1635 A 84 TYR HBy A 84 TYR HA 1.0 1.7 3.3 1664 1636 A 84 TYR HBx A 84 TYR HA 1.0 1.7 3.3 1665 1637 A 86 VAL HB A 86 VAL HA 1.0 1.9 4.1 1666 1638 A 96 LYS HA A 96 LYS HBx 1.0 0.0 6.0 1667 1639 A 95 LYS HE2 A 96 LYS HA 1.0 0.0 6.0 1668 1640 A 96 LYS HBx A 97 GLN HA 1.0 0.0 6.0 1669 1641 A 97 GLN HA A 97 GLN HGx 1.0 1.6 3.0 1670 1642 A 97 GLN HBy A 97 GLN HA 1.0 1.6 2.6 1671 1643 A 2 LYS HA A 2 LYS HBx 1.0 0.0 6.0 1672 1644 A 98 GLU HA A 98 GLU HGy 1.0 1.7 3.1 1673 1645 A 98 GLU HGx A 98 GLU HA 1.0 1.6 2.8 1674 1646 A 98 GLU HA A 98 GLU HBy 1.0 0.0 6.0 1675 1647 A 28 ARG HGx A 28 ARG HA 1.0 1.8 3.8 1676 1648 A 28 ARG HGx A 28 ARG HD3 1.0 1.9 3.9 1677 1649 A 28 ARG HGx A 28 ARG HB3 1.0 1.8 4.0 1678 1650 A 4 ARG HGx A 4 ARG HBy 1.0 1.7 3.5 1679 1651 A 4 ARG HGx A 4 ARG HGy 1.0 1.6 2.6 1680 1652 A 4 ARG HGx A 4 ARG HDy 1.0 1.8 3.6 1681 1653 A 4 ARG HGx A 4 ARG HDx 1.0 1.7 3.3 1682 1654 A 4 ARG HGy A 4 ARG HDy 1.0 1.8 3.4 1683 1655 A 4 ARG HDx A 4 ARG HGy 1.0 1.6 3.2 1684 1656 A 4 ARG HGy A 4 ARG HBy 1.0 1.7 3.1 1685 1657 A 2 LYS HGx A 2 LYS HE2 1.0 1.9 3.7 1686 1658 A 39 THR HG1 A 39 THR HA 1.0 0.0 6.0 1687 1659 A 3 LYS HBx A 3 LYS HG2 1.0 1.8 3.4 1688 1660 A 3 LYS HD3 A 3 LYS HG2 1.0 1.6 3.0 1689 1661 A 66 ASN HBy A 66 ASN HBx 1.0 1.6 2.6 1690 1662 A 57 ARG HBy A 57 ARG HDy 1.0 0.0 6.0 1691 1663 A 57 ARG HBx A 57 ARG HDy 1.0 1.7 3.5 1692 1664 A 57 ARG HA A 57 ARG HDy 1.0 1.7 3.1 1693 1665 A 57 ARG HG2 A 57 ARG HDy 1.0 1.8 3.8 1694 1666 A 44 LEU HBy A 44 LEU HBx 1.0 1.7 3.1 1695 1667 A 43 SER HBx A 43 SER HBy 1.0 1.1 2.2 1696 1668 A 68 PRO HBy A 68 PRO HGx 1.0 1.8 3.8 1697 1669 A 68 PRO HGy A 68 PRO HDy 1.0 1.9 4.1 1698 1670 A 14 ILE HG1y A 14 ILE HB 1.0 1.8 3.8 1699 1671 A 14 ILE HG1x A 14 ILE HB 1.0 1.8 3.6 1700 1672 A 99 THR HB A 99 THR HG1 1.0 1.6 2.6 1701 1673 A 3 LYS HBy A 3 LYS HBx 1.0 1.7 2.9 1702 1674 A 3 LYS HBy A 3 LYS HG2 1.0 1.8 3.6 1703 1675 A 68 PRO HGx A 68 PRO HA 1.0 1.9 4.3 1704 1676 A 81 HIS HBy A 81 HIS HBx 1.0 1.7 3.3 1705 1677 A 81 HIS HA A 81 HIS HBy 1.0 1.8 3.6 1706 1678 A 81 HIS HA A 81 HIS HBx 1.0 1.8 3.6 1707 1679 A 17 LEU HA A 17 LEU HBy 1.0 1.7 3.3 1708 1680 B 56 HIS HA B 56 HIS HBx 1.0 1.7 2.9 1709 1681 B 47 THR HG1 B 47 THR HA 1.0 0.0 6.0 1710 1682 B 6 THR HA B 6 THR HG1 1.0 0.0 6.0 1711 1683 B 40 PHE HA B 40 PHE HBx 1.0 1.7 2.9 1712 1684 B 79 PRO HBy B 79 PRO HA 1.0 1.7 3.3 1713 1685 B 75 THR HA B 75 THR HG1 1.0 0.0 6.0 1714 1686 B 42 THR HG1 B 42 THR HA 1.0 1.5 2.7 1715 1687 B 23 THR HG1 B 23 THR HA 1.0 0.0 6.0 1716 1688 B 23 THR HB B 23 THR HA 1.0 1.8 3.8 1717 1689 B 23 THR HA B 24 ILE HB 1.0 0.0 6.0 1718 1690 B 68 PRO HDy B 68 PRO HA 1.0 0.0 6.0 1719 1691 B 68 PRO HA B 68 PRO HDx 1.0 0.0 6.0 1720 1692 B 66 ASN HA B 66 ASN HBy 1.0 1.7 3.1 1721 1693 B 66 ASN HA B 66 ASN HBx 1.0 1.7 3.1 1722 1694 B 4 ARG HBy B 4 ARG HA 1.0 1.8 3.6 1723 1695 B 4 ARG HGy B 4 ARG HA 1.0 1.8 3.6 1724 1696 B 4 ARG HGx B 4 ARG HA 1.0 1.9 4.1 1725 1697 B 4 ARG HA B 4 ARG HDy 1.0 0.0 6.0 1726 1698 B 4 ARG HDx B 4 ARG HA 1.0 0.0 6.0 1727 1699 B 17 LEU HA B 18 GLU HBy 1.0 0.0 6.0 1728 1700 B 33 ASP HA B 33 ASP HBx 1.0 1.7 3.3 1729 1701 B 33 ASP HBy B 33 ASP HA 1.0 1.7 3.1 1730 1702 B 33 ASP HBy B 33 ASP HBx 1.0 1.7 3.1 1731 1703 B 75 THR HB B 75 THR HG1 1.0 0.0 6.0 1732 1704 B 6 THR HA B 6 THR HB 1.0 1.8 3.4 1733 1705 B 47 THR HB B 47 THR HA 1.0 1.7 3.1 1734 1706 B 47 THR HG1 B 47 THR HB 1.0 1.6 2.8 1735 1707 B 6 THR HG1 B 6 THR HB 1.0 1.6 2.8 1736 1708 B 75 THR HB B 75 THR HA 1.0 1.7 3.1 1737 1709 B 19 VAL HB B 19 VAL HA 1.0 1.6 3.0 1738 1710 B 42 THR HG1 B 42 THR HB 1.0 0.0 6.0 1739 1711 B 39 THR HG1 B 39 THR HB 1.0 1.6 2.6 1740 1712 B 23 THR HG1 B 23 THR HB 1.0 1.6 2.8 1741 1713 B 11 GLN HA B 11 GLN HBy 1.0 1.7 3.3 1742 1714 B 11 GLN HGx B 11 GLN HA 1.0 1.8 3.6 1743 1715 B 48 ARG HA B 48 ARG HDy 1.0 0.0 6.0 1744 1716 B 48 ARG HA B 48 ARG HBx 1.0 1.6 2.8 1745 1716 B 48 ARG HA B 48 ARG HBy 1.0 1.6 2.8 1746 1717 B 48 ARG HA B 48 ARG HGx 1.0 1.8 3.8 1747 1718 B 62 PHE HBx B 61 ALA HA 1.0 0.0 6.0 1748 1719 B 68 PRO HDy B 68 PRO HDx 1.0 1.7 3.1 1749 1720 B 68 PRO HBy B 68 PRO HDx 1.0 0.0 6.0 1750 1721 B 68 PRO HBx B 68 PRO HDx 1.0 1.8 3.6 1751 1722 B 68 PRO HGy B 68 PRO HDx 1.0 1.9 3.9 1752 1723 B 68 PRO HGx B 68 PRO HDx 1.0 1.8 3.6 1753 1724 B 68 PRO HGx B 68 PRO HDy 1.0 1.8 3.8 1754 1725 B 46 LEU HA B 46 LEU HG 1.0 1.8 3.4 1755 1726 B 71 TYR HA B 70 GLY HAx 1.0 0.0 6.0 1756 1727 B 10 PHE HBx B 10 PHE HA 1.0 1.8 4.0 1757 1728 B 10 PHE HBy B 10 PHE HA 1.0 1.8 3.6 1758 1729 B 14 ILE HG1x B 14 ILE HA 1.0 1.8 3.8 1759 1730 B 14 ILE HA B 14 ILE HG1y 1.0 1.9 3.9 1760 1731 B 32 VAL HA B 32 VAL HB 1.0 1.8 3.8 1761 1732 B 24 ILE HB B 24 ILE HA 1.0 1.8 3.8 1762 1733 B 24 ILE HG1y B 24 ILE HA 1.0 1.7 3.3 1763 1733 B 24 ILE HG1x B 24 ILE HA 1.0 1.7 3.3 1764 1734 B 23 THR HG1 B 24 ILE HA 1.0 0.0 6.0 1765 1735 B 37 GLN HA B 37 GLN HGx 1.0 1.8 3.8 1766 1736 B 86 VAL HB B 85 ILE HA 1.0 0.0 6.0 1767 1737 B 7 GLU HGx B 7 GLU HA 1.0 1.8 3.6 1768 1738 B 15 GLN HGx B 15 GLN HA 1.0 1.6 3.0 1769 1739 B 15 GLN HA B 14 ILE HG1y 1.0 1.9 4.1 1770 1740 B 16 GLY HAy B 16 GLY HAx 1.0 1.6 2.8 1771 1741 B 20 GLY HAy B 20 GLY HAx 1.0 1.6 2.8 1772 1742 B 23 THR HA B 22 GLN HA 1.0 0.0 6.0 1773 1743 B 51 VAL HA B 51 VAL HB 1.0 1.8 3.8 1774 1744 B 26 ILE HA B 26 ILE HB 1.0 1.8 3.8 1775 1745 B 29 GLY HAy B 29 GLY HAx 1.0 1.8 3.4 1776 1746 B 37 GLN HBx B 36 PRO HA 1.0 0.0 6.0 1777 1747 B 57 ARG HBy B 57 ARG HA 1.0 1.7 3.1 1778 1748 B 57 ARG HA B 58 VAL HB 1.0 0.0 6.0 1779 1749 B 57 ARG HGx B 57 ARG HA 1.0 0.0 6.0 1780 1750 B 58 VAL HA B 57 ARG HBx 1.0 0.0 6.0 1781 1751 B 62 PHE HBy B 62 PHE HA 1.0 1.8 3.6 1782 1752 B 62 PHE HBx B 62 PHE HA 1.0 1.8 3.6 1783 1753 B 63 GLU HBy B 63 GLU HA 1.0 1.6 3.0 1784 1754 B 63 GLU HBx B 63 GLU HA 1.0 1.7 3.3 1785 1755 B 64 ASP HA B 64 ASP HBx 1.0 1.7 2.9 1786 1756 B 69 GLU HGy B 69 GLU HA 1.0 1.7 3.1 1787 1757 B 69 GLU HA B 69 GLU HBx 1.0 1.6 2.8 1788 1758 B 71 TYR HA B 71 TYR HBx 1.0 1.9 4.1 1789 1759 B 77 VAL HA B 78 LEU HA 1.0 0.0 6.0 1790 1760 B 77 VAL HB B 77 VAL HA 1.0 1.8 4.0 1791 1761 B 84 TYR HA B 85 ILE HA 1.0 0.0 6.0 1792 1762 B 84 TYR HBx B 84 TYR HA 1.0 1.7 3.3 1793 1763 B 84 TYR HBy B 84 TYR HA 1.0 1.7 3.3 1794 1764 B 86 VAL HB B 86 VAL HA 1.0 1.9 4.1 1795 1765 B 96 LYS HA B 96 LYS HBx 1.0 0.0 6.0 1796 1766 B 95 LYS HEx B 96 LYS HA 1.0 0.0 6.0 1797 1767 B 96 LYS HBx B 97 GLN HA 1.0 0.0 6.0 1798 1768 B 97 GLN HA B 97 GLN HGx 1.0 1.6 3.0 1799 1769 B 97 GLN HBy B 97 GLN HA 1.0 1.6 2.6 1800 1770 B 2 LYS HA B 2 LYS HBx 1.0 0.0 6.0 1801 1771 B 98 GLU HA B 98 GLU HGx 1.0 1.7 3.1 1802 1772 B 98 GLU HGy B 98 GLU HA 1.0 1.6 2.8 1803 1773 B 98 GLU HA B 98 GLU HBy 1.0 0.0 6.0 1804 1774 B 28 ARG HGx B 28 ARG HA 1.0 1.8 3.8 1805 1775 B 28 ARG HGx B 28 ARG HDy 1.0 1.9 3.9 1806 1776 B 28 ARG HGx B 28 ARG HBy 1.0 1.8 4.0 1807 1777 B 4 ARG HGx B 4 ARG HBy 1.0 1.7 3.5 1808 1778 B 4 ARG HGx B 4 ARG HGy 1.0 1.6 2.6 1809 1779 B 4 ARG HGx B 4 ARG HDy 1.0 1.8 3.6 1810 1780 B 4 ARG HGx B 4 ARG HDx 1.0 1.7 3.3 1811 1781 B 4 ARG HGy B 4 ARG HDy 1.0 1.8 3.4 1812 1782 B 4 ARG HDx B 4 ARG HGy 1.0 1.6 3.2 1813 1783 B 4 ARG HGy B 4 ARG HBy 1.0 1.7 3.1 1814 1784 B 2 LYS HGx B 2 LYS HEx 1.0 1.9 3.7 1815 1785 B 39 THR HG1 B 39 THR HA 1.0 0.0 6.0 1816 1786 B 3 LYS HBx B 3 LYS HGx 1.0 1.8 3.4 1817 1787 B 3 LYS HDy B 3 LYS HGx 1.0 1.6 3.0 1818 1788 B 66 ASN HBy B 66 ASN HBx 1.0 1.6 2.6 1819 1789 B 57 ARG HBy B 57 ARG HDx 1.0 0.0 6.0 1820 1790 B 57 ARG HBx B 57 ARG HDx 1.0 1.7 3.5 1821 1791 B 57 ARG HA B 57 ARG HDx 1.0 1.7 3.1 1822 1792 B 57 ARG HGx B 57 ARG HDx 1.0 1.8 3.8 1823 1793 B 44 LEU HBy B 44 LEU HBx 1.0 1.7 3.1 1824 1794 B 43 SER HBx B 43 SER HBy 1.0 1.1 2.2 1825 1795 B 68 PRO HBy B 68 PRO HGx 1.0 1.8 3.8 1826 1796 B 68 PRO HGy B 68 PRO HDy 1.0 1.9 4.1 1827 1797 B 14 ILE HG1x B 14 ILE HB 1.0 1.8 3.8 1828 1798 B 14 ILE HG1y B 14 ILE HB 1.0 1.8 3.6 1829 1799 B 99 THR HB B 99 THR HG1 1.0 1.6 2.6 1830 1800 B 3 LYS HBy B 3 LYS HBx 1.0 1.7 2.9 1831 1801 B 3 LYS HBy B 3 LYS HGx 1.0 1.8 3.6 1832 1802 B 68 PRO HGx B 68 PRO HA 1.0 1.9 4.3 1833 1803 B 81 HIS HBy B 81 HIS HBx 1.0 1.7 3.3 1834 1804 B 81 HIS HA B 81 HIS HBy 1.0 1.8 3.6 1835 1805 B 81 HIS HA B 81 HIS HBx 1.0 1.8 3.6 1836 1806 B 17 LEU HA B 17 LEU HBx 1.0 1.7 3.3 1837 1807 A 59 TRP HH2 A 59 TRP HZ3 1.0 1.7 3.3 1838 1808 A 59 TRP HH2 A 59 TRP HZ2 1.0 1.6 2.8 1839 1809 A 81 HIS HD2 A 81 HIS HE1 1.0 1.9 4.3 1840 1810 A 89 TRP HZ2 A 89 TRP HH2 1.0 1.6 3.0 1841 1811 A 59 TRP HE3 A 59 TRP HZ3 1.0 1.8 3.4 1842 1812 B 59 TRP HH2 B 59 TRP HZ3 1.0 1.7 3.3 1843 1813 B 59 TRP HH2 B 59 TRP HZ2 1.0 1.6 2.8 1844 1814 B 81 HIS HD2 B 81 HIS HE1 1.0 1.9 4.3 1845 1815 B 89 TRP HZ2 B 89 TRP HH2 1.0 1.6 3.0 1846 1816 B 59 TRP HE3 B 59 TRP HZ3 1.0 1.8 3.4 1847 1817 A 10 PHE HZ A 24 ILE HA 1.0 1.9 4.5 1848 1818 A 89 TRP HA A 89 TRP HD1 1.0 1.8 3.6 1849 1819 A 4 ARG HA A 59 TRP HZ3 1.0 2.0 4.4 1850 1820 A 10 PHE HZ A 28 ARG HA 1.0 1.9 5.1 1851 1821 A 67 LEU HA A 68 PRO HDx 1.0 1.8 4.0 1852 1822 B 10 PHE HZ B 24 ILE HA 1.0 1.9 4.5 1853 1823 B 89 TRP HA B 89 TRP HD1 1.0 1.8 3.6 1854 1824 B 4 ARG HA B 59 TRP HZ3 1.0 2.0 4.4 1855 1825 B 10 PHE HZ B 28 ARG HA 1.0 1.9 5.1 1856 1826 B 67 LEU HA B 68 PRO HDx 1.0 1.8 4.0 1857 1827 A 15 GLN H A 11 GLN HA 1.0 2.0 5.0 1858 1828 A 39 THR H A 36 PRO HB3 1.0 0.0 6.0 1859 1829 A 97 GLN HE2y A 94 LYS HG2 1.0 1.9 5.1 1860 1830 A 98 GLU H A 95 LYS HA 1.0 1.7 3.1 1861 1831 A 92 ASP H A 90 GLU H 1.0 1.9 4.5 1862 1832 A 89 TRP H A 86 VAL HA 1.0 1.9 4.1 1863 1833 B 15 GLN H B 11 GLN HA 1.0 2.0 5.0 1864 1834 B 39 THR H B 36 PRO HBy 1.0 0.0 6.0 1865 1835 B 97 GLN HE2x B 94 LYS HGx 1.0 1.9 5.1 1866 1836 B 98 GLU H B 95 LYS HA 1.0 1.7 3.1 1867 1837 B 92 ASP H B 90 GLU H 1.0 1.9 4.5 1868 1838 B 89 TRP H B 86 VAL HA 1.0 1.9 4.1 1869 1839 A 75 THR H A 76 ALA H 1.0 2.0 4.4 1870 1840 B 75 THR H B 76 ALA H 1.0 2.0 4.4 1871 1841 A 4 ARG HGx A 35 LYS HA 1.0 0.0 6.0 1872 1842 A 3 LYS HA A 3 LYS HBx 1.0 1.6 3.0 1873 1843 A 13 ALA HA A 65 LYS HBx 1.0 0.0 6.0 1874 1843 A 13 ALA HA A 65 LYS HD3 1.0 0.0 6.0 1875 1844 A 42 THR HA A 41 ALA HA 1.0 0.0 6.0 1876 1845 A 39 THR HG1 A 40 PHE HA 1.0 0.0 6.0 1877 1846 A 37 GLN HA A 51 VAL HB 1.0 0.0 6.0 1878 1847 A 14 ILE HG1x A 11 GLN HE2x 1.0 0.0 6.0 1879 1848 A 14 ILE HB A 17 LEU HG 1.0 0.0 6.0 1880 1849 B 4 ARG HGx B 35 LYS HA 1.0 0.0 6.0 1881 1850 B 3 LYS HA B 3 LYS HBx 1.0 1.6 3.0 1882 1851 B 13 ALA HA B 65 LYS HBx 1.0 0.0 6.0 1883 1851 B 13 ALA HA B 65 LYS HDy 1.0 0.0 6.0 1884 1852 B 42 THR HA B 41 ALA HA 1.0 0.0 6.0 1885 1853 B 39 THR HG1 B 40 PHE HA 1.0 0.0 6.0 1886 1854 B 37 GLN HA B 51 VAL HB 1.0 0.0 6.0 1887 1855 B 14 ILE HG1y B 11 GLN HE2x 1.0 0.0 6.0 1888 1856 B 14 ILE HB B 17 LEU HG 1.0 0.0 6.0 1889 1857 B 21 GLN H B 19 VAL HA 1.0 0.0 6.0 1890 1858 A 21 GLN H A 19 VAL HA 1.0 0.0 6.0 1891 1859 A 12 GLU HA A 12 GLU HG3 1.0 1.7 3.3 1892 1860 B 12 GLU HA B 12 GLU HGy 1.0 1.7 3.3 1893 1861 A 35 LYS H A 4 ARG HBx 1.0 0.0 6.0 1894 1862 B 35 LYS H B 4 ARG HBx 1.0 0.0 6.0 1895 1863 A 13 ALA H A 12 GLU HG3 1.0 2.0 5.0 1896 1864 B 13 ALA H B 12 GLU HGy 1.0 2.0 5.0 1897 1865 A 101 ARG HGy A 101 ARG HA 1.0 1.7 2.9 1898 1866 A 51 VAL HB A 48 ARG HBx 1.0 0.0 6.0 1899 1867 B 51 VAL HB B 48 ARG HBx 1.0 0.0 6.0 1900 1868 A 47 THR H A 45 GLY HAy 1.0 2.0 5.4 1901 1868 A 47 THR H A 41 ALA HA 1.0 2.0 5.4 1902 1869 A 97 GLN HGy A 98 GLU H 1.0 0.0 6.0 1903 1869 A 98 GLU H A 98 GLU HGy 1.0 0.0 6.0 1904 1870 A 94 LYS HBx A 92 ASP H 1.0 2.0 5.4 1905 1870 A 92 ASP H A 89 TRP HB3 1.0 2.0 5.4 1906 1871 A 46 LEU H A 44 LEU HBx 1.0 1.7 3.3 1907 1871 A 46 LEU H A 46 LEU HG 1.0 1.7 3.3 1908 1872 A 97 GLN H A 95 LYS HA 1.0 0.0 6.0 1909 1872 A 97 GLN H A 96 LYS HA 1.0 0.0 6.0 1910 1873 A 95 LYS HBx A 97 GLN H 1.0 1.9 4.9 1911 1873 A 94 LYS HG2 A 97 GLN H 1.0 1.9 4.9 1912 1874 A 60 ALA H A 57 ARG HBx 1.0 1.9 5.3 1913 1874 A 60 ALA H A 58 VAL HB 1.0 1.9 5.3 1914 1875 A 55 VAL H A 52 SER HBy 1.0 1.9 4.3 1915 1875 A 53 GLN HA A 55 VAL H 1.0 1.9 4.3 1916 1876 A 52 SER H A 49 GLY HA3 1.0 1.8 4.0 1917 1876 A 48 ARG HA A 52 SER H 1.0 1.8 4.0 1918 1877 A 16 GLY H A 16 GLY HAy 1.0 1.7 3.1 1919 1877 A 15 GLN HA A 16 GLY H 1.0 1.7 3.1 1920 1878 A 88 LYS H A 86 VAL HA 1.0 1.9 4.3 1921 1878 A 88 LYS H A 85 ILE HA 1.0 1.9 4.3 1922 1879 A 23 THR HG1 A 54 ALA H 1.0 0.0 6.0 1923 1879 A 57 ARG HG2 A 54 ALA H 1.0 0.0 6.0 1924 1879 A 26 ILE HG1y A 54 ALA H 1.0 0.0 6.0 1925 1880 A 19 VAL H A 20 GLY HAx 1.0 2.0 5.0 1926 1880 A 23 THR H A 20 GLY HAx 1.0 2.0 5.0 1927 1881 A 60 ALA H A 59 TRP HA 1.0 1.9 4.9 1928 1881 A 60 ALA HA A 60 ALA H 1.0 1.9 4.9 1929 1882 A 46 LEU H A 45 GLY HAy 1.0 1.7 3.1 1930 1882 A 46 LEU H A 41 ALA HA 1.0 1.7 3.1 1931 1883 A 71 TYR H A 68 PRO HBx 1.0 2.0 5.2 1932 1883 A 69 GLU HBx A 71 TYR H 1.0 2.0 5.2 1933 1884 A 37 GLN HBx A 40 PHE H 1.0 2.0 5.8 1934 1884 A 40 PHE H A 36 PRO HB3 1.0 2.0 5.8 1935 1885 A 92 ASP HBx A 89 TRP H 1.0 2.0 4.8 1936 1885 A 92 ASP HBx A 90 GLU H 1.0 2.0 4.8 1937 1886 A 89 TRP HB3 A 90 GLU H 1.0 1.9 4.1 1938 1886 A 89 TRP HB3 A 89 TRP H 1.0 1.9 4.1 1939 1887 A 5 LEU H A 59 TRP HA 1.0 0.0 6.0 1940 1887 A 21 GLN HA A 26 ILE H 1.0 0.0 6.0 1941 1888 A 30 VAL H A 40 PHE HBy 1.0 2.0 5.6 1942 1888 A 46 LEU H A 40 PHE HBy 1.0 2.0 5.6 1943 1888 A 30 VAL H A 40 PHE HBx 1.0 2.0 5.6 1944 1889 A 53 GLN HE2y A 53 GLN HA 1.0 2.0 5.6 1945 1889 A 50 ALA HA A 53 GLN HE2y 1.0 2.0 5.6 1946 1890 A 5 LEU H A 3 LYS HA 1.0 2.0 5.8 1947 1890 A 5 LEU H A 34 GLY HAx 1.0 2.0 5.8 1948 1891 A 84 TYR H A 86 VAL HA 1.0 2.0 5.6 1949 1891 A 84 TYR H A 85 ILE HA 1.0 2.0 5.6 1950 1892 B 47 THR H B 45 GLY HAx 1.0 2.0 5.4 1951 1892 B 47 THR H B 41 ALA HA 1.0 2.0 5.4 1952 1893 B 97 GLN HGy B 98 GLU H 1.0 0.0 6.0 1953 1893 B 98 GLU H B 98 GLU HGx 1.0 0.0 6.0 1954 1894 B 94 LYS HBx B 92 ASP H 1.0 2.0 5.4 1955 1894 B 92 ASP H B 89 TRP HBy 1.0 2.0 5.4 1956 1895 B 46 LEU H B 44 LEU HBx 1.0 1.7 3.3 1957 1895 B 46 LEU H B 46 LEU HG 1.0 1.7 3.3 1958 1896 B 97 GLN H B 95 LYS HA 1.0 0.0 6.0 1959 1896 B 97 GLN H B 96 LYS HA 1.0 0.0 6.0 1960 1897 B 95 LYS HBx B 97 GLN H 1.0 1.9 4.9 1961 1897 B 94 LYS HGx B 97 GLN H 1.0 1.9 4.9 1962 1898 B 60 ALA H B 57 ARG HBx 1.0 1.9 5.3 1963 1898 B 60 ALA H B 58 VAL HB 1.0 1.9 5.3 1964 1899 B 55 VAL H B 52 SER HBy 1.0 1.9 4.3 1965 1899 B 53 GLN HA B 55 VAL H 1.0 1.9 4.3 1966 1900 B 52 SER H B 49 GLY HAy 1.0 1.8 4.0 1967 1900 B 48 ARG HA B 52 SER H 1.0 1.8 4.0 1968 1901 B 16 GLY H B 16 GLY HAy 1.0 1.7 3.1 1969 1901 B 15 GLN HA B 16 GLY H 1.0 1.7 3.1 1970 1902 B 88 LYS H B 86 VAL HA 1.0 1.9 4.3 1971 1902 B 88 LYS H B 85 ILE HA 1.0 1.9 4.3 1972 1903 B 23 THR HG1 B 54 ALA H 1.0 0.0 6.0 1973 1903 B 57 ARG HGx B 54 ALA H 1.0 0.0 6.0 1974 1903 B 26 ILE HG1y B 54 ALA H 1.0 0.0 6.0 1975 1904 B 19 VAL H B 20 GLY HAx 1.0 2.0 5.0 1976 1904 B 23 THR H B 20 GLY HAx 1.0 2.0 5.0 1977 1905 B 60 ALA H B 59 TRP HA 1.0 1.9 4.9 1978 1905 B 60 ALA HA B 60 ALA H 1.0 1.9 4.9 1979 1906 B 46 LEU H B 45 GLY HAx 1.0 1.7 3.1 1980 1906 B 46 LEU H B 41 ALA HA 1.0 1.7 3.1 1981 1907 B 71 TYR H B 68 PRO HBx 1.0 2.0 5.2 1982 1907 B 69 GLU HBx B 71 TYR H 1.0 2.0 5.2 1983 1908 B 37 GLN HBx B 40 PHE H 1.0 2.0 5.8 1984 1908 B 40 PHE H B 36 PRO HBy 1.0 2.0 5.8 1985 1909 B 92 ASP HBx B 89 TRP H 1.0 2.0 4.8 1986 1909 B 92 ASP HBx B 90 GLU H 1.0 2.0 4.8 1987 1910 B 89 TRP HBy B 90 GLU H 1.0 1.9 4.1 1988 1910 B 89 TRP HBy B 89 TRP H 1.0 1.9 4.1 1989 1911 B 5 LEU H B 59 TRP HA 1.0 0.0 6.0 1990 1911 B 21 GLN HA B 26 ILE H 1.0 0.0 6.0 1991 1912 B 30 VAL H B 40 PHE HBy 1.0 2.0 5.6 1992 1912 B 46 LEU H B 40 PHE HBy 1.0 2.0 5.6 1993 1912 B 30 VAL H B 40 PHE HBx 1.0 2.0 5.6 1994 1913 B 53 GLN HE2y B 53 GLN HA 1.0 2.0 5.6 1995 1913 B 50 ALA HA B 53 GLN HE2y 1.0 2.0 5.6 1996 1914 B 5 LEU H B 3 LYS HA 1.0 2.0 5.8 1997 1914 B 5 LEU H B 34 GLY HAx 1.0 2.0 5.8 1998 1915 B 84 TYR H B 86 VAL HA 1.0 2.0 5.6 1999 1915 B 84 TYR H B 85 ILE HA 1.0 2.0 5.6 2000 1916 A 8 SER HA A 7 GLU HBy 1.0 0.0 6.0 2001 1916 A 8 SER HA A 11 GLN HBy 1.0 0.0 6.0 2002 1917 A 95 LYS HBy A 95 LYS HA 1.0 1.5 2.7 2003 1917 A 94 LYS HBx A 94 LYS HA 1.0 1.5 2.7 2004 1918 A 22 GLN HA A 25 GLU HBx 1.0 1.6 2.8 2005 1918 A 53 GLN HA A 53 GLN HBx 1.0 1.6 2.8 2006 1919 A 54 ALA HA A 53 GLN HBx 1.0 1.7 3.3 2007 1919 A 50 ALA HA A 53 GLN HBx 1.0 1.7 3.3 2008 1920 A 95 LYS HA A 99 THR HA 1.0 0.0 6.0 2009 1920 A 101 ARG HA A 99 THR HA 1.0 0.0 6.0 2010 1921 A 18 GLU HG3 A 17 LEU HG 1.0 0.0 6.0 2011 1921 A 57 ARG HBy A 17 LEU HG 1.0 0.0 6.0 2012 1922 A 15 GLN HA A 17 LEU HBy 1.0 0.0 6.0 2013 1922 A 16 GLY HAy A 17 LEU HBy 1.0 0.0 6.0 2014 1923 B 8 SER HA B 7 GLU HBy 1.0 0.0 6.0 2015 1923 B 8 SER HA B 11 GLN HBy 1.0 0.0 6.0 2016 1924 B 95 LYS HBy B 95 LYS HA 1.0 1.5 2.7 2017 1924 B 94 LYS HBx B 94 LYS HA 1.0 1.5 2.7 2018 1925 B 22 GLN HA B 25 GLU HBx 1.0 1.6 2.8 2019 1925 B 53 GLN HA B 53 GLN HBy 1.0 1.6 2.8 2020 1926 B 54 ALA HA B 53 GLN HBy 1.0 1.7 3.3 2021 1926 B 50 ALA HA B 53 GLN HBy 1.0 1.7 3.3 2022 1927 B 95 LYS HA B 99 THR HA 1.0 0.0 6.0 2023 1927 B 101 ARG HA B 99 THR HA 1.0 0.0 6.0 2024 1928 B 18 GLU HGy B 17 LEU HG 1.0 0.0 6.0 2025 1928 B 57 ARG HBy B 17 LEU HG 1.0 0.0 6.0 2026 1929 B 15 GLN HA B 17 LEU HBx 1.0 0.0 6.0 2027 1929 B 16 GLY HAy B 17 LEU HBx 1.0 0.0 6.0 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 72 ALA H B 78 LEU O 1.0 1.8 2.3 2 2 B 78 LEU O A 72 ALA N 1.0 2.8 3.3 3 3 A 78 LEU H B 72 ALA O 1.0 1.8 2.3 4 4 B 72 ALA O A 78 LEU N 1.0 2.8 3.3 5 5 A 74 VAL H B 76 ALA O 1.0 1.8 2.3 6 6 B 76 ALA O A 74 VAL N 1.0 2.8 3.3 7 7 A 76 ALA H B 74 VAL O 1.0 1.8 2.3 8 8 B 74 VAL O A 76 ALA N 1.0 2.8 3.3 9 9 B 72 ALA H A 78 LEU O 1.0 1.8 2.3 10 10 A 78 LEU O B 72 ALA N 1.0 2.8 3.3 11 11 B 78 LEU H A 72 ALA O 1.0 1.8 2.3 12 12 A 72 ALA O B 78 LEU N 1.0 2.8 3.3 13 13 B 74 VAL H A 76 ALA O 1.0 1.8 2.3 14 14 A 76 ALA O B 74 VAL N 1.0 2.8 3.3 15 15 B 76 ALA H A 74 VAL O 1.0 1.8 2.3 16 16 A 74 VAL O B 76 ALA N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 72 ALA H B 78 LEU O 1.0 1.8 2.3 2 2 B 78 LEU O A 72 ALA N 1.0 2.8 3.3 3 3 A 78 LEU H B 72 ALA O 1.0 1.8 2.3 4 4 B 72 ALA O A 78 LEU N 1.0 2.8 3.3 5 5 A 74 VAL H B 76 ALA O 1.0 1.8 2.3 6 6 B 76 ALA O A 74 VAL N 1.0 2.8 3.3 7 7 A 76 ALA H B 74 VAL O 1.0 1.8 2.3 8 8 B 74 VAL O A 76 ALA N 1.0 2.8 3.3 9 9 B 72 ALA H A 78 LEU O 1.0 1.8 2.3 10 10 A 78 LEU O B 72 ALA N 1.0 2.8 3.3 11 11 B 78 LEU H A 72 ALA O 1.0 1.8 2.3 12 12 A 72 ALA O B 78 LEU N 1.0 2.8 3.3 13 13 B 74 VAL H A 76 ALA O 1.0 1.8 2.3 14 14 A 76 ALA O B 74 VAL N 1.0 2.8 3.3 15 15 B 76 ALA H A 74 VAL O 1.0 1.8 2.3 16 16 A 74 VAL O B 76 ALA N 1.0 2.8 3.3 stop_ save_