data_nef_c18356_2mp4 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18355 PDB 2LRB stop_ 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 SER middle . . 3 A 3 SER middle . . 4 A 4 GLY middle . false 5 A 5 VAL middle . . 6 A 6 MET middle . . 7 A 7 VAL middle . . 8 A 8 ASP middle . . 9 A 9 PRO middle . false 10 A 10 ASP middle . . 11 A 11 VAL middle . . 12 A 12 GLN middle . . 13 A 13 THR middle . . 14 A 14 SER middle . . 15 A 15 PHE middle . . 16 A 16 GLN middle . . 17 A 17 LYS middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 GLU middle . . 21 A 21 GLY middle . false 22 A 22 ARG middle . . 23 A 23 LYS middle . . 24 A 24 GLU middle . . 25 A 25 TYR middle . . 26 A 26 ARG middle . . 27 A 27 TYR middle . . 28 A 28 ILE middle . . 29 A 29 ILE middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 ILE middle . . 33 A 33 ASP middle . . 34 A 34 GLU middle . . 35 A 35 ASN middle . . 36 A 36 LYS middle . . 37 A 37 VAL middle . . 38 A 38 ILE middle . . 39 A 39 VAL middle . . 40 A 40 GLU middle . . 41 A 41 ALA middle . . 42 A 42 ALA middle . . 43 A 43 VAL middle . . 44 A 44 THR middle . . 45 A 45 GLN middle . . 46 A 46 ASP middle . . 47 A 47 GLN middle . . 48 A 48 LEU middle . . 49 A 49 GLY middle . false 50 A 50 ILE middle . . 51 A 51 THR middle . . 52 A 52 GLY middle . false 53 A 53 ASP middle . . 54 A 54 ASP middle . . 55 A 55 TYR middle . . 56 A 56 ASP middle . . 57 A 57 ASP middle . . 58 A 58 SER middle . . 59 A 59 SER middle . . 60 A 60 LYS middle . . 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 PHE middle . . 64 A 64 ASP middle . . 65 A 65 LYS middle . . 66 A 66 PHE middle . . 67 A 67 VAL middle . . 68 A 68 GLU middle . . 69 A 69 ASP middle . . 70 A 70 VAL middle . . 71 A 71 LYS middle . . 72 A 72 SER middle . . 73 A 73 ARG middle . . 74 A 74 THR middle . . 75 A 75 ASP middle . . 76 A 76 ASN middle . . 77 A 77 LEU middle . . 78 A 78 THR middle . . 79 A 79 ASP middle . . 80 A 80 CYS middle . . 81 A 81 ARG middle . . 82 A 82 TYR middle . . 83 A 83 ALA middle . . 84 A 84 VAL middle . . 85 A 85 PHE middle . . 86 A 86 ASP middle . . 87 A 87 PHE middle . . 88 A 88 LYS middle . . 89 A 89 PHE middle . . 90 A 90 THR middle . . 91 A 91 CYS middle . . 92 A 92 SER middle . . 93 A 93 ARG middle . . 94 A 94 VAL middle . . 95 A 95 GLY middle . false 96 A 96 ALA middle . . 97 A 97 GLY middle . false 98 A 98 THR middle . . 99 A 99 SER middle . . 100 A 100 LYS middle . . 101 A 101 MET middle . . 102 A 102 ASP middle . . 103 A 103 LYS middle . . 104 A 104 ILE middle . . 105 A 105 ILE middle . . 106 A 106 PHE middle . . 107 A 107 LEU middle . . 108 A 108 GLN middle . . 109 A 109 ILE middle . . 110 A 110 CYS middle . . 111 A 111 PRO middle . false 112 A 112 ASP middle . . 113 A 113 GLY middle . false 114 A 114 ALA middle . . 115 A 115 SER middle . . 116 A 116 ILE middle . . 117 A 117 LYS middle . . 118 A 118 LYS middle . . 119 A 119 LYS middle . . 120 A 120 MET middle . . 121 A 121 VAL middle . . 122 A 122 TYR middle . . 123 A 123 ALA middle . . 124 A 124 SER middle . . 125 A 125 SER middle . . 126 A 126 ALA middle . . 127 A 127 ALA middle . . 128 A 128 ALA middle . . 129 A 129 ILE middle . . 130 A 130 LYS middle . . 131 A 131 THR middle . . 132 A 132 SER middle . . 133 A 133 LEU middle . . 134 A 134 GLY middle . false 135 A 135 THR middle . . 136 A 136 GLY middle . false 137 A 137 LYS middle . . 138 A 138 ILE middle . . 139 A 139 LEU middle . . 140 A 140 GLN middle . . 141 A 141 PHE middle . . 142 A 142 GLN middle . . 143 A 143 VAL middle . . 144 A 144 SER middle . . 145 A 145 ASP middle . . 146 A 146 GLU middle . . 147 A 147 SER middle . . 148 A 148 GLU middle . . 149 A 149 MET middle . . 150 A 150 SER middle . . 151 A 151 HIS middle . . 152 A 152 LYS middle . . 153 A 153 GLU middle . . 154 A 154 LEU middle . . 155 A 155 LEU middle . . 156 A 156 ASN middle . . 157 A 157 LYS middle . . 158 A 158 LEU middle . . 159 A 159 GLY middle . false 160 A 160 GLU middle . . 161 A 161 LYS middle . . 162 A 162 TYR middle . . 163 A 163 GLY middle . false 164 A 164 ASP middle . . 165 A 165 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.34 0.02 A 1 MET HA H 1 4.60 0.02 A 1 MET HBx H 1 1.40 0.02 A 1 MET HBy H 1 1.68 0.02 A 1 MET HGx H 1 1.95 0.02 A 1 MET HGy H 1 2.02 0.02 A 1 MET C C 13 174.0 0.3 A 1 MET CA C 13 59.5 0.3 A 1 MET CB C 13 32.5 0.3 A 1 MET N N 15 126.1 0.3 A 2 SER H H 1 8.35 0.02 A 2 SER HA H 1 4.82 0.02 A 2 SER HB2 H 1 3.95 0.02 A 2 SER HB3 H 1 3.95 0.02 A 2 SER CA C 13 62.3 0.3 A 2 SER CB C 13 67.3 0.3 A 2 SER N N 15 115.1 0.3 A 3 SER HA H 1 3.86 0.02 A 3 SER HB2 H 1 1.38 0.02 A 3 SER HB3 H 1 1.38 0.02 A 3 SER CA C 13 55.8 0.3 A 3 SER CB C 13 61.3 0.3 A 4 GLY H H 1 8.32 0.02 A 4 GLY HAx H 1 2.82 0.02 A 4 GLY HAy H 1 3.95 0.02 A 4 GLY C C 13 173.4 0.3 A 4 GLY CA C 13 45.1 0.3 A 4 GLY N N 15 110.7 0.3 A 5 VAL H H 1 7.81 0.02 A 5 VAL HA H 1 4.20 0.02 A 5 VAL HB H 1 1.82 0.02 A 5 VAL HG1% H 1 0.70 0.02 A 5 VAL HG2% H 1 0.70 0.02 A 5 VAL C C 13 175.3 0.3 A 5 VAL CA C 13 61.7 0.3 A 5 VAL CB C 13 33.1 0.3 A 5 VAL CG1 C 13 21.2 0.3 A 5 VAL CG2 C 13 21.2 0.3 A 5 VAL N N 15 119.4 0.3 A 6 MET H H 1 8.18 0.02 A 6 MET HA H 1 4.65 0.02 A 6 MET HB2 H 1 2.06 0.02 A 6 MET HB3 H 1 2.06 0.02 A 6 MET HGx H 1 2.56 0.02 A 6 MET HGy H 1 2.59 0.02 A 6 MET C C 13 174.8 0.3 A 6 MET CA C 13 54.2 0.3 A 6 MET CB C 13 36.0 0.3 A 6 MET CG C 13 32.0 0.3 A 6 MET N N 15 124.0 0.3 A 7 VAL H H 1 8.79 0.02 A 7 VAL HA H 1 4.09 0.02 A 7 VAL HB H 1 1.89 0.02 A 7 VAL HG1% H 1 0.83 0.02 A 7 VAL HG2% H 1 0.63 0.02 A 7 VAL C C 13 175.5 0.3 A 7 VAL CA C 13 62.3 0.3 A 7 VAL CB C 13 32.5 0.3 A 7 VAL CG1 C 13 21.2 0.3 A 7 VAL CG2 C 13 21.2 0.3 A 7 VAL N N 15 122.4 0.3 A 8 ASP H H 1 8.80 0.02 A 8 ASP HA H 1 4.71 0.02 A 8 ASP HBx H 1 2.62 0.02 A 8 ASP HBy H 1 2.80 0.02 A 8 ASP C C 13 175.8 0.3 A 8 ASP CA C 13 53.9 0.3 A 8 ASP CB C 13 44.8 0.3 A 8 ASP N N 15 131.4 0.3 A 9 PRO HA H 1 4.48 0.02 A 9 PRO HBy H 1 2.68 0.02 A 9 PRO HBx H 1 2.47 0.02 A 9 PRO HD2 H 1 3.52 0.02 A 9 PRO HD3 H 1 3.52 0.02 A 9 PRO HGx H 1 2.05 0.02 A 9 PRO HGy H 1 2.05 0.02 A 9 PRO CA C 13 63.0 0.3 A 9 PRO CD C 13 48.7 0.3 A 10 ASP H H 1 9.06 0.02 A 10 ASP HA H 1 4.78 0.02 A 10 ASP HBx H 1 2.70 0.02 A 10 ASP HBy H 1 2.83 0.02 A 10 ASP C C 13 179.1 0.3 A 10 ASP CA C 13 56.2 0.3 A 10 ASP CB C 13 40.7 0.3 A 10 ASP N N 15 116.7 0.3 A 11 VAL H H 1 8.51 0.02 A 11 VAL HA H 1 3.63 0.02 A 11 VAL HB H 1 2.24 0.02 A 11 VAL HG1% H 1 1.04 0.02 A 11 VAL HG2% H 1 0.44 0.02 A 11 VAL C C 13 176.9 0.3 A 11 VAL CA C 13 67.4 0.3 A 11 VAL CB C 13 31.1 0.3 A 11 VAL CG1 C 13 23.7 0.3 A 11 VAL CG2 C 13 20.2 0.3 A 11 VAL N N 15 122.6 0.3 A 12 GLN H H 1 7.74 0.02 A 12 GLN HA H 1 4.03 0.02 A 12 GLN HB2 H 1 2.21 0.02 A 12 GLN HB3 H 1 2.21 0.02 A 12 GLN HG2 H 1 2.40 0.02 A 12 GLN HG3 H 1 2.40 0.02 A 12 GLN C C 13 178.8 0.3 A 12 GLN CA C 13 59.8 0.3 A 12 GLN CB C 13 29.0 0.3 A 12 GLN CG C 13 34.8 0.3 A 12 GLN N N 15 117.4 0.3 A 13 THR H H 1 7.91 0.02 A 13 THR HA H 1 4.02 0.02 A 13 THR HB H 1 4.30 0.02 A 13 THR HG2% H 1 1.33 0.02 A 13 THR C C 13 177.6 0.3 A 13 THR CA C 13 66.1 0.3 A 13 THR CB C 13 68.4 0.3 A 13 THR CG2 C 13 22.5 0.3 A 13 THR N N 15 113.6 0.3 A 14 SER H H 1 8.63 0.02 A 14 SER HA H 1 4.33 0.02 A 14 SER HBx H 1 3.85 0.02 A 14 SER HBy H 1 3.98 0.02 A 14 SER C C 13 175.9 0.3 A 14 SER CA C 13 63.4 0.3 A 14 SER CB C 13 62.3 0.3 A 14 SER N N 15 118.1 0.3 A 15 PHE H H 1 8.28 0.02 A 15 PHE HA H 1 4.26 0.02 A 15 PHE HB2 H 1 3.26 0.02 A 15 PHE HB3 H 1 3.26 0.02 A 15 PHE HDx H 1 7.31 0.02 A 15 PHE HDy H 1 7.31 0.02 A 15 PHE HEx H 1 7.31 0.02 A 15 PHE HEy H 1 7.31 0.02 A 15 PHE C C 13 178.9 0.3 A 15 PHE CA C 13 62.2 0.3 A 15 PHE CB C 13 40.0 0.3 A 15 PHE CD1 C 13 120.5 0.3 A 15 PHE CD2 C 13 120.6 0.3 A 15 PHE CE1 C 13 120.6 0.3 A 15 PHE CE2 C 13 120.5 0.3 A 15 PHE N N 15 122.4 0.3 A 16 GLN H H 1 8.60 0.02 A 16 GLN HA H 1 3.97 0.02 A 16 GLN HBx H 1 2.18 0.02 A 16 GLN HBy H 1 2.30 0.02 A 16 GLN HG2 H 1 2.62 0.02 A 16 GLN HG3 H 1 2.62 0.02 A 16 GLN C C 13 177.6 0.3 A 16 GLN CA C 13 59.4 0.3 A 16 GLN CB C 13 28.1 0.3 A 16 GLN CG C 13 34.4 0.3 A 16 GLN N N 15 121.4 0.3 A 17 LYS H H 1 7.44 0.02 A 17 LYS HA H 1 4.18 0.02 A 17 LYS HB2 H 1 1.82 0.02 A 17 LYS HB3 H 1 1.82 0.02 A 17 LYS HD2 H 1 1.69 0.02 A 17 LYS HD3 H 1 1.69 0.02 A 17 LYS HE2 H 1 2.99 0.02 A 17 LYS HE3 H 1 2.99 0.02 A 17 LYS HG2 H 1 1.57 0.02 A 17 LYS HG3 H 1 1.57 0.02 A 17 LYS C C 13 175.2 0.3 A 17 LYS CA C 13 58.8 0.3 A 17 LYS CB C 13 33.3 0.3 A 17 LYS CD C 13 29.7 0.3 A 17 LYS CE C 13 42.4 0.3 A 17 LYS CG C 13 25.5 0.3 A 17 LYS N N 15 117.0 0.3 A 18 LEU H H 1 7.51 0.02 A 18 LEU HA H 1 4.44 0.02 A 18 LEU HB2 H 1 1.70 0.02 A 18 LEU HB3 H 1 1.70 0.02 A 18 LEU HD1% H 1 0.64 0.02 A 18 LEU HD2% H 1 0.64 0.02 A 18 LEU HG H 1 1.60 0.02 A 18 LEU C C 13 173.6 0.3 A 18 LEU CA C 13 57.2 0.3 A 18 LEU CB C 13 44.2 0.3 A 18 LEU CD1 C 13 26.5 0.3 A 18 LEU CD2 C 13 26.5 0.3 A 18 LEU CG C 13 27.6 0.3 A 18 LEU N N 15 118.9 0.3 A 19 SER H H 1 7.86 0.02 A 19 SER HA H 1 3.98 0.02 A 19 SER HBx H 1 3.00 0.02 A 19 SER HBy H 1 3.66 0.02 A 19 SER C C 13 174.4 0.3 A 19 SER CA C 13 59.5 0.3 A 19 SER CB C 13 65.2 0.3 A 19 SER N N 15 110.2 0.3 A 20 GLU H H 1 7.99 0.02 A 20 GLU HA H 1 4.53 0.02 A 20 GLU HB2 H 1 2.01 0.02 A 20 GLU HB3 H 1 2.01 0.02 A 20 GLU HG2 H 1 2.30 0.02 A 20 GLU HG3 H 1 2.30 0.02 A 20 GLU C C 13 176.1 0.3 A 20 GLU CA C 13 55.4 0.3 A 20 GLU CB C 13 31.7 0.3 A 20 GLU CG C 13 36.1 0.3 A 20 GLU N N 15 120.5 0.3 A 21 GLY H H 1 8.48 0.02 A 21 GLY HAx H 1 3.69 0.02 A 21 GLY HAy H 1 3.94 0.02 A 21 GLY C C 13 175.4 0.3 A 21 GLY CA C 13 46.8 0.3 A 21 GLY N N 15 107.0 0.3 A 22 ARG H H 1 8.68 0.02 A 22 ARG HA H 1 4.13 0.02 A 22 ARG HB2 H 1 1.85 0.02 A 22 ARG HB3 H 1 1.85 0.02 A 22 ARG HD2 H 1 3.18 0.02 A 22 ARG HD3 H 1 3.18 0.02 A 22 ARG HG2 H 1 1.62 0.02 A 22 ARG HG3 H 1 1.62 0.02 A 22 ARG C C 13 175.9 0.3 A 22 ARG CA C 13 56.9 0.3 A 22 ARG CB C 13 29.9 0.3 A 22 ARG CD C 13 43.3 0.3 A 22 ARG CG C 13 27.6 0.3 A 22 ARG N N 15 124.1 0.3 A 23 LYS H H 1 8.13 0.02 A 23 LYS HA H 1 3.95 0.02 A 23 LYS HB2 H 1 1.71 0.02 A 23 LYS HB3 H 1 1.71 0.02 A 23 LYS HD2 H 1 1.55 0.02 A 23 LYS HD3 H 1 1.55 0.02 A 23 LYS HEx H 1 2.65 0.02 A 23 LYS HEy H 1 2.83 0.02 A 23 LYS HG2 H 1 1.08 0.02 A 23 LYS HG3 H 1 1.08 0.02 A 23 LYS C C 13 176.2 0.3 A 23 LYS CA C 13 57.2 0.3 A 23 LYS CB C 13 29.9 0.3 A 23 LYS CD C 13 29.3 0.3 A 23 LYS CE C 13 42.2 0.3 A 23 LYS CG C 13 24.4 0.3 A 23 LYS N N 15 117.8 0.3 A 24 GLU H H 1 8.17 0.02 A 24 GLU HA H 1 3.91 0.02 A 24 GLU HB2 H 1 1.57 0.02 A 24 GLU HB3 H 1 1.57 0.02 A 24 GLU HG2 H 1 1.90 0.02 A 24 GLU HG3 H 1 1.90 0.02 A 24 GLU C C 13 177.5 0.3 A 24 GLU CA C 13 58.5 0.3 A 24 GLU CB C 13 30.9 0.3 A 24 GLU CG C 13 36.8 0.3 A 24 GLU N N 15 117.9 0.3 A 25 TYR H H 1 6.95 0.02 A 25 TYR HA H 1 4.53 0.02 A 25 TYR HBx H 1 2.23 0.02 A 25 TYR HBy H 1 2.83 0.02 A 25 TYR HDx H 1 6.79 0.02 A 25 TYR HDy H 1 6.79 0.02 A 25 TYR HE1 H 1 6.66 0.02 A 25 TYR HE2 H 1 6.66 0.02 A 25 TYR C C 13 173.6 0.3 A 25 TYR CA C 13 55.3 0.3 A 25 TYR CB C 13 40.2 0.3 A 25 TYR CD1 C 13 134.4 0.3 A 25 TYR CD2 C 13 134.4 0.3 A 25 TYR CE1 C 13 121.1 0.3 A 25 TYR CE2 C 13 121.1 0.3 A 25 TYR N N 15 113.1 0.3 A 26 ARG H H 1 9.45 0.02 A 26 ARG HA H 1 4.66 0.02 A 26 ARG HB2 H 1 2.02 0.02 A 26 ARG HB3 H 1 2.02 0.02 A 26 ARG HD2 H 1 2.99 0.02 A 26 ARG HD3 H 1 2.99 0.02 A 26 ARG HGx H 1 1.64 0.02 A 26 ARG HGy H 1 1.75 0.02 A 26 ARG C C 13 174.6 0.3 A 26 ARG CA C 13 54.0 0.3 A 26 ARG CB C 13 31.5 0.3 A 26 ARG CD C 13 41.1 0.3 A 26 ARG CG C 13 26.0 0.3 A 26 ARG N N 15 120.5 0.3 A 27 TYR H H 1 7.45 0.02 A 27 TYR HA H 1 4.93 0.02 A 27 TYR HB2 H 1 2.99 0.02 A 27 TYR HB3 H 1 2.99 0.02 A 27 TYR HDx H 1 6.91 0.02 A 27 TYR HDy H 1 6.91 0.02 A 27 TYR HEx H 1 6.75 0.02 A 27 TYR HEy H 1 6.75 0.02 A 27 TYR C C 13 172.7 0.3 A 27 TYR CA C 13 56.2 0.3 A 27 TYR CB C 13 40.8 0.3 A 27 TYR CD1 C 13 133.4 0.3 A 27 TYR CD2 C 13 133.4 0.3 A 27 TYR CE1 C 13 120.5 0.3 A 27 TYR CE2 C 13 120.5 0.3 A 27 TYR N N 15 109.7 0.3 A 28 ILE H H 1 8.75 0.02 A 28 ILE HA H 1 4.78 0.02 A 28 ILE HB H 1 1.68 0.02 A 28 ILE HD1% H 1 0.25 0.02 A 28 ILE HG12 H 1 1.10 0.02 A 28 ILE HG13 H 1 1.10 0.02 A 28 ILE HG2% H 1 0.80 0.02 A 28 ILE C C 13 174.4 0.3 A 28 ILE CA C 13 60.2 0.3 A 28 ILE CB C 13 43.3 0.3 A 28 ILE CD1 C 13 19.6 0.3 A 28 ILE CG1 C 13 24.4 0.3 A 28 ILE CG2 C 13 14.7 0.3 A 28 ILE N N 15 117.4 0.3 A 29 ILE H H 1 9.18 0.02 A 29 ILE HA H 1 4.67 0.02 A 29 ILE HB H 1 1.70 0.02 A 29 ILE HD1% H 1 0.87 0.02 A 29 ILE HG1x H 1 1.36 0.02 A 29 ILE HG1y H 1 1.36 0.02 A 29 ILE HG2% H 1 0.89 0.02 A 29 ILE C C 13 174.6 0.3 A 29 ILE CA C 13 60.8 0.3 A 29 ILE CB C 13 40.5 0.3 A 29 ILE CD1 C 13 14.5 0.3 A 29 ILE CG1 C 13 28.4 0.3 A 29 ILE CG2 C 13 18.3 0.3 A 29 ILE N N 15 125.1 0.3 A 30 PHE H H 1 9.65 0.02 A 30 PHE HA H 1 5.76 0.02 A 30 PHE HBx H 1 2.99 0.02 A 30 PHE HBy H 1 3.25 0.02 A 30 PHE HDx H 1 6.97 0.02 A 30 PHE HDy H 1 6.97 0.02 A 30 PHE HE1 H 1 6.53 0.02 A 30 PHE HE2 H 1 6.53 0.02 A 30 PHE C C 13 174.1 0.3 A 30 PHE CA C 13 55.9 0.3 A 30 PHE CB C 13 42.3 0.3 A 30 PHE CD1 C 13 121.8 0.3 A 30 PHE CD2 C 13 121.7 0.3 A 30 PHE CE1 C 13 120.4 0.3 A 30 PHE CE2 C 13 120.4 0.3 A 30 PHE N N 15 126.1 0.3 A 31 LYS H H 1 8.99 0.02 A 31 LYS HA H 1 5.32 0.02 A 31 LYS HBy H 1 1.96 0.02 A 31 LYS HBx H 1 1.93 0.02 A 31 LYS HD2 H 1 1.54 0.02 A 31 LYS HD3 H 1 1.54 0.02 A 31 LYS HE2 H 1 2.82 0.02 A 31 LYS HE3 H 1 2.82 0.02 A 31 LYS HG2 H 1 1.36 0.02 A 31 LYS HG3 H 1 1.36 0.02 A 31 LYS C C 13 173.0 0.3 A 31 LYS CA C 13 53.8 0.3 A 31 LYS CB C 13 38.1 0.3 A 31 LYS CD C 13 30.2 0.3 A 31 LYS CE C 13 45.0 0.3 A 31 LYS CG C 13 28.2 0.3 A 31 LYS N N 15 118.9 0.3 A 32 ILE H H 1 8.42 0.02 A 32 ILE HA H 1 4.78 0.02 A 32 ILE HB H 1 1.71 0.02 A 32 ILE HD1% H 1 0.10 0.02 A 32 ILE HG12 H 1 1.18 0.02 A 32 ILE HG13 H 1 1.18 0.02 A 32 ILE HG2% H 1 0.56 0.02 A 32 ILE C C 13 175.2 0.3 A 32 ILE CA C 13 60.7 0.3 A 32 ILE CB C 13 41.3 0.3 A 32 ILE CD1 C 13 12.9 0.3 A 32 ILE CG1 C 13 29.3 0.3 A 32 ILE CG2 C 13 16.9 0.3 A 32 ILE N N 15 120.5 0.3 A 33 ASP H H 1 9.27 0.02 A 33 ASP HA H 1 4.88 0.02 A 33 ASP HBx H 1 2.22 0.02 A 33 ASP HBy H 1 2.72 0.02 A 33 ASP C C 13 175.3 0.3 A 33 ASP CA C 13 53.5 0.3 A 33 ASP CB C 13 44.5 0.3 A 33 ASP N N 15 130.1 0.3 A 34 GLU H H 1 9.04 0.02 A 34 GLU HA H 1 3.73 0.02 A 34 GLU HBx H 1 2.09 0.02 A 34 GLU HBy H 1 2.09 0.02 A 34 GLU HG2 H 1 2.32 0.02 A 34 GLU HG3 H 1 2.32 0.02 A 34 GLU C C 13 175.0 0.3 A 34 GLU CA C 13 58.2 0.3 A 34 GLU CB C 13 27.5 0.3 A 34 GLU CG C 13 36.2 0.3 A 34 GLU N N 15 123.6 0.3 A 35 ASN H H 1 8.57 0.02 A 35 ASN HA H 1 4.38 0.02 A 35 ASN HBx H 1 2.84 0.02 A 35 ASN HBy H 1 3.04 0.02 A 35 ASN C C 13 173.5 0.3 A 35 ASN CA C 13 53.7 0.3 A 35 ASN CB C 13 38.5 0.3 A 35 ASN N N 15 114.2 0.3 A 36 LYS H H 1 7.75 0.02 A 36 LYS HA H 1 5.34 0.02 A 36 LYS HB2 H 1 1.74 0.02 A 36 LYS HB3 H 1 1.74 0.02 A 36 LYS HD2 H 1 1.69 0.02 A 36 LYS HD3 H 1 1.69 0.02 A 36 LYS HE2 H 1 2.99 0.02 A 36 LYS HE3 H 1 2.99 0.02 A 36 LYS HG2 H 1 1.39 0.02 A 36 LYS HG3 H 1 1.39 0.02 A 36 LYS C C 13 174.9 0.3 A 36 LYS CA C 13 54.5 0.3 A 36 LYS CB C 13 36.1 0.3 A 36 LYS CD C 13 29.5 0.3 A 36 LYS CE C 13 41.9 0.3 A 36 LYS CG C 13 24.6 0.3 A 36 LYS N N 15 118.4 0.3 A 37 VAL H H 1 8.79 0.02 A 37 VAL HA H 1 4.55 0.02 A 37 VAL HB H 1 2.03 0.02 A 37 VAL HG1% H 1 0.91 0.02 A 37 VAL HG2% H 1 0.82 0.02 A 37 VAL C C 13 174.6 0.3 A 37 VAL CA C 13 62.0 0.3 A 37 VAL CB C 13 32.3 0.3 A 37 VAL CG1 C 13 22.6 0.3 A 37 VAL CG2 C 13 21.2 0.3 A 37 VAL N N 15 122.9 0.3 A 38 ILE H H 1 9.23 0.02 A 38 ILE HA H 1 4.88 0.02 A 38 ILE HB H 1 2.06 0.02 A 38 ILE HD1% H 1 0.87 0.02 A 38 ILE HG1y H 1 1.20 0.02 A 38 ILE HG1x H 1 1.15 0.02 A 38 ILE HG2% H 1 0.98 0.02 A 38 ILE C C 13 176.2 0.3 A 38 ILE CA C 13 59.3 0.3 A 38 ILE CB C 13 42.8 0.3 A 38 ILE CD1 C 13 14.4 0.3 A 38 ILE CG1 C 13 26.1 0.3 A 38 ILE CG2 C 13 18.8 0.3 A 38 ILE N N 15 119.6 0.3 A 39 VAL H H 1 9.07 0.02 A 39 VAL HA H 1 3.85 0.02 A 39 VAL HB H 1 2.13 0.02 A 39 VAL HG1% H 1 1.07 0.02 A 39 VAL HG2% H 1 0.63 0.02 A 39 VAL C C 13 175.3 0.3 A 39 VAL CA C 13 63.9 0.3 A 39 VAL CB C 13 32.1 0.3 A 39 VAL CG1 C 13 22.0 0.3 A 39 VAL CG2 C 13 21.3 0.3 A 39 VAL N N 15 121.3 0.3 A 40 GLU H H 1 9.23 0.02 A 40 GLU HA H 1 4.27 0.02 A 40 GLU HBx H 1 2.10 0.02 A 40 GLU HBy H 1 2.24 0.02 A 40 GLU HG2 H 1 2.38 0.02 A 40 GLU HG3 H 1 2.38 0.02 A 40 GLU C C 13 176.0 0.3 A 40 GLU CA C 13 57.2 0.3 A 40 GLU CB C 13 32.3 0.3 A 40 GLU CG C 13 37.1 0.3 A 40 GLU N N 15 131.2 0.3 A 41 ALA H H 1 7.67 0.02 A 41 ALA HA H 1 4.44 0.02 A 41 ALA HB% H 1 1.16 0.02 A 41 ALA C C 13 173.3 0.3 A 41 ALA CA C 13 52.0 0.3 A 41 ALA CB C 13 21.8 0.3 A 41 ALA N N 15 118.1 0.3 A 42 ALA H H 1 8.48 0.02 A 42 ALA HA H 1 4.52 0.02 A 42 ALA HB% H 1 0.25 0.02 A 42 ALA C C 13 174.9 0.3 A 42 ALA CA C 13 51.7 0.3 A 42 ALA CB C 13 19.1 0.3 A 42 ALA N N 15 127.6 0.3 A 43 VAL H H 1 7.82 0.02 A 43 VAL HA H 1 4.35 0.02 A 43 VAL HB H 1 1.83 0.02 A 43 VAL HG1% H 1 0.59 0.02 A 43 VAL HG2% H 1 0.59 0.02 A 43 VAL C C 13 176.1 0.3 A 43 VAL CA C 13 62.1 0.3 A 43 VAL CB C 13 34.3 0.3 A 43 VAL CG1 C 13 22.2 0.3 A 43 VAL CG2 C 13 22.2 0.3 A 43 VAL N N 15 124.9 0.3 A 44 THR H H 1 8.67 0.02 A 44 THR HA H 1 4.80 0.02 A 44 THR HB H 1 4.73 0.02 A 44 THR HG2% H 1 1.37 0.02 A 44 THR C C 13 174.3 0.3 A 44 THR CA C 13 60.3 0.3 A 44 THR CB C 13 71.2 0.3 A 44 THR CG2 C 13 21.3 0.3 A 44 THR N N 15 119.4 0.3 A 45 GLN H H 1 8.66 0.02 A 45 GLN HA H 1 4.01 0.02 A 45 GLN HBx H 1 2.07 0.02 A 45 GLN HBy H 1 2.15 0.02 A 45 GLN HG2 H 1 2.46 0.02 A 45 GLN HG3 H 1 2.46 0.02 A 45 GLN C C 13 179.6 0.3 A 45 GLN CA C 13 59.0 0.3 A 45 GLN CB C 13 27.6 0.3 A 45 GLN CG C 13 31.9 0.3 A 45 GLN N N 15 119.8 0.3 A 46 ASP H H 1 8.43 0.02 A 46 ASP HA H 1 4.39 0.02 A 46 ASP HB2 H 1 2.60 0.02 A 46 ASP HB3 H 1 2.60 0.02 A 46 ASP C C 13 178.9 0.3 A 46 ASP CA C 13 57.1 0.3 A 46 ASP CB C 13 40.8 0.3 A 46 ASP N N 15 117.3 0.3 A 47 GLN H H 1 7.83 0.02 A 47 GLN HA H 1 4.03 0.02 A 47 GLN HB2 H 1 2.00 0.02 A 47 GLN HB3 H 1 2.00 0.02 A 47 GLN HG2 H 1 2.40 0.02 A 47 GLN HG3 H 1 2.40 0.02 A 47 GLN C C 13 178.0 0.3 A 47 GLN CA C 13 57.8 0.3 A 47 GLN CB C 13 29.1 0.3 A 47 GLN CG C 13 35.0 0.3 A 47 GLN N N 15 118.9 0.3 A 48 LEU H H 1 7.56 0.02 A 48 LEU HA H 1 4.18 0.02 A 48 LEU HB2 H 1 1.51 0.02 A 48 LEU HB3 H 1 1.51 0.02 A 48 LEU HD1% H 1 1.07 0.02 A 48 LEU HD2% H 1 1.07 0.02 A 48 LEU HG H 1 1.98 0.02 A 48 LEU C C 13 177.6 0.3 A 48 LEU CA C 13 56.3 0.3 A 48 LEU CB C 13 43.1 0.3 A 48 LEU CD1 C 13 24.2 0.3 A 48 LEU CD2 C 13 24.2 0.3 A 48 LEU CG C 13 26.2 0.3 A 48 LEU N N 15 118.1 0.3 A 49 GLY H H 1 7.57 0.02 A 49 GLY HAx H 1 3.69 0.02 A 49 GLY HAy H 1 3.94 0.02 A 49 GLY C C 13 174.7 0.3 A 49 GLY CA C 13 47.0 0.3 A 49 GLY N N 15 105.6 0.3 A 50 ILE H H 1 7.94 0.02 A 50 ILE HA H 1 4.34 0.02 A 50 ILE HB H 1 1.92 0.02 A 50 ILE HD1% H 1 0.80 0.02 A 50 ILE HG1x H 1 1.17 0.02 A 50 ILE HG1y H 1 1.38 0.02 A 50 ILE HG2% H 1 0.86 0.02 A 50 ILE C C 13 176.5 0.3 A 50 ILE CA C 13 59.9 0.3 A 50 ILE CB C 13 38.9 0.3 A 50 ILE CD1 C 13 12.8 0.3 A 50 ILE CG1 C 13 26.2 0.3 A 50 ILE CG2 C 13 17.7 0.3 A 50 ILE N N 15 117.7 0.3 A 51 THR H H 1 8.48 0.02 A 51 THR HA H 1 4.42 0.02 A 51 THR HB H 1 4.24 0.02 A 51 THR HG2% H 1 1.19 0.02 A 51 THR C C 13 174.9 0.3 A 51 THR CA C 13 61.7 0.3 A 51 THR CB C 13 69.9 0.3 A 51 THR CG2 C 13 21.5 0.3 A 51 THR N N 15 117.5 0.3 A 52 GLY H H 1 8.08 0.02 A 52 GLY HA2 H 1 3.97 0.02 A 52 GLY HA3 H 1 3.97 0.02 A 52 GLY C C 13 172.7 0.3 A 52 GLY CA C 13 44.6 0.3 A 52 GLY N N 15 111.2 0.3 A 53 ASP H H 1 8.49 0.02 A 53 ASP HA H 1 4.66 0.02 A 53 ASP HBx H 1 2.66 0.02 A 53 ASP HBy H 1 2.83 0.02 A 53 ASP C C 13 177.8 0.3 A 53 ASP CA C 13 53.9 0.3 A 53 ASP CB C 13 42.7 0.3 A 53 ASP N N 15 120.8 0.3 A 54 ASP H H 1 8.50 0.02 A 54 ASP HA H 1 4.63 0.02 A 54 ASP HBx H 1 2.31 0.02 A 54 ASP HBy H 1 2.53 0.02 A 54 ASP C C 13 177.1 0.3 A 54 ASP CA C 13 56.6 0.3 A 54 ASP CB C 13 42.8 0.3 A 54 ASP N N 15 124.1 0.3 A 55 TYR H H 1 8.35 0.02 A 55 TYR HA H 1 4.56 0.02 A 55 TYR HBx H 1 2.88 0.02 A 55 TYR HBy H 1 2.88 0.02 A 55 TYR HDx H 1 7.16 0.02 A 55 TYR HDy H 1 7.16 0.02 A 55 TYR HEx H 1 7.06 0.02 A 55 TYR HEy H 1 7.06 0.02 A 55 TYR C C 13 178.9 0.3 A 55 TYR CA C 13 62.4 0.3 A 55 TYR CB C 13 37.3 0.3 A 55 TYR CD1 C 13 132.3 0.3 A 55 TYR CD2 C 13 132.3 0.3 A 55 TYR CE1 C 13 120.2 0.3 A 55 TYR CE2 C 13 120.2 0.3 A 55 TYR N N 15 114.9 0.3 A 56 ASP H H 1 8.32 0.02 A 56 ASP HA H 1 4.56 0.02 A 56 ASP HBx H 1 2.70 0.02 A 56 ASP HBy H 1 2.83 0.02 A 56 ASP C C 13 177.3 0.3 A 56 ASP CA C 13 57.2 0.3 A 56 ASP CB C 13 40.6 0.3 A 56 ASP N N 15 119.6 0.3 A 57 ASP H H 1 7.74 0.02 A 57 ASP HA H 1 4.94 0.02 A 57 ASP HBx H 1 2.60 0.02 A 57 ASP HBy H 1 3.00 0.02 A 57 ASP C C 13 178.1 0.3 A 57 ASP CA C 13 52.4 0.3 A 57 ASP CB C 13 41.1 0.3 A 57 ASP N N 15 116.6 0.3 A 58 SER H H 1 8.13 0.02 A 58 SER HA H 1 4.80 0.02 A 58 SER HBx H 1 4.34 0.02 A 58 SER HBy H 1 4.42 0.02 A 58 SER C C 13 174.6 0.3 A 58 SER CA C 13 60.2 0.3 A 58 SER CB C 13 63.0 0.3 A 58 SER N N 15 117.6 0.3 A 59 SER H H 1 9.01 0.02 A 59 SER HA H 1 4.58 0.02 A 59 SER HBx H 1 4.00 0.02 A 59 SER HBy H 1 4.00 0.02 A 59 SER C C 13 173.2 0.3 A 59 SER CA C 13 60.5 0.3 A 59 SER CB C 13 66.1 0.3 A 59 SER N N 15 105.4 0.3 A 60 LYS H H 1 7.45 0.02 A 60 LYS HA H 1 4.08 0.02 A 60 LYS HB2 H 1 2.01 0.02 A 60 LYS HB3 H 1 2.01 0.02 A 60 LYS HDx H 1 1.52 0.02 A 60 LYS HDy H 1 1.57 0.02 A 60 LYS HE2 H 1 3.26 0.02 A 60 LYS HE3 H 1 3.26 0.02 A 60 LYS HG2 H 1 0.99 0.02 A 60 LYS HG3 H 1 0.99 0.02 A 60 LYS C C 13 176.5 0.3 A 60 LYS CA C 13 61.0 0.3 A 60 LYS CB C 13 32.8 0.3 A 60 LYS CD C 13 28.8 0.3 A 60 LYS CE C 13 42.0 0.3 A 60 LYS CG C 13 24.9 0.3 A 60 LYS N N 15 123.1 0.3 A 61 ALA H H 1 8.80 0.02 A 61 ALA HA H 1 4.13 0.02 A 61 ALA HB% H 1 1.49 0.02 A 61 ALA C C 13 181.8 0.3 A 61 ALA CA C 13 55.5 0.3 A 61 ALA CB C 13 17.9 0.3 A 61 ALA N N 15 120.7 0.3 A 62 ALA H H 1 8.76 0.02 A 62 ALA HA H 1 4.04 0.02 A 62 ALA HB% H 1 1.63 0.02 A 62 ALA C C 13 178.6 0.3 A 62 ALA CA C 13 55.4 0.3 A 62 ALA CB C 13 19.7 0.3 A 62 ALA N N 15 119.9 0.3 A 63 PHE H H 1 9.38 0.02 A 63 PHE HA H 1 3.66 0.02 A 63 PHE HBx H 1 2.74 0.02 A 63 PHE HBy H 1 2.91 0.02 A 63 PHE HD1 H 1 6.80 0.02 A 63 PHE HD2 H 1 6.80 0.02 A 63 PHE HEx H 1 6.80 0.02 A 63 PHE HEy H 1 6.80 0.02 A 63 PHE C C 13 177.3 0.3 A 63 PHE CA C 13 62.2 0.3 A 63 PHE CB C 13 39.6 0.3 A 63 PHE CD1 C 13 123.4 0.3 A 63 PHE CD2 C 13 123.4 0.3 A 63 PHE CE1 C 13 123.4 0.3 A 63 PHE CE2 C 13 123.4 0.3 A 63 PHE N N 15 120.4 0.3 A 64 ASP H H 1 9.18 0.02 A 64 ASP HA H 1 4.41 0.02 A 64 ASP HBx H 1 2.58 0.02 A 64 ASP HBy H 1 2.80 0.02 A 64 ASP C C 13 180.2 0.3 A 64 ASP CA C 13 57.7 0.3 A 64 ASP CB C 13 39.6 0.3 A 64 ASP N N 15 119.7 0.3 A 65 LYS H H 1 7.42 0.02 A 65 LYS HA H 1 4.08 0.02 A 65 LYS HBx H 1 2.24 0.02 A 65 LYS HBy H 1 2.24 0.02 A 65 LYS HD2 H 1 2.06 0.02 A 65 LYS HD3 H 1 2.06 0.02 A 65 LYS HE2 H 1 2.83 0.02 A 65 LYS HE3 H 1 2.83 0.02 A 65 LYS HG2 H 1 1.71 0.02 A 65 LYS HG3 H 1 1.71 0.02 A 65 LYS C C 13 179.1 0.3 A 65 LYS CA C 13 59.6 0.3 A 65 LYS CB C 13 32.5 0.3 A 65 LYS CD C 13 29.6 0.3 A 65 LYS CE C 13 41.7 0.3 A 65 LYS CG C 13 26.3 0.3 A 65 LYS N N 15 119.8 0.3 A 66 PHE H H 1 8.00 0.02 A 66 PHE HA H 1 4.34 0.02 A 66 PHE HBx H 1 2.83 0.02 A 66 PHE HBy H 1 3.05 0.02 A 66 PHE HDx H 1 6.97 0.02 A 66 PHE HDy H 1 6.97 0.02 A 66 PHE HEx H 1 6.97 0.02 A 66 PHE HEy H 1 6.97 0.02 A 66 PHE C C 13 175.9 0.3 A 66 PHE CA C 13 59.9 0.3 A 66 PHE CB C 13 38.3 0.3 A 66 PHE CD1 C 13 119.5 0.3 A 66 PHE CD2 C 13 119.5 0.3 A 66 PHE CE1 C 13 119.5 0.3 A 66 PHE CE2 C 13 119.5 0.3 A 66 PHE N N 15 123.4 0.3 A 67 VAL H H 1 8.50 0.02 A 67 VAL HA H 1 2.60 0.02 A 67 VAL HB H 1 2.00 0.02 A 67 VAL HG1% H 1 0.70 0.02 A 67 VAL HG2% H 1 0.70 0.02 A 67 VAL C C 13 177.7 0.3 A 67 VAL CA C 13 67.1 0.3 A 67 VAL CB C 13 31.7 0.3 A 67 VAL CG1 C 13 24.8 0.3 A 67 VAL CG2 C 13 21.3 0.3 A 67 VAL N N 15 120.2 0.3 A 68 GLU H H 1 7.51 0.02 A 68 GLU HA H 1 3.80 0.02 A 68 GLU HB2 H 1 2.07 0.02 A 68 GLU HB3 H 1 2.07 0.02 A 68 GLU HGx H 1 2.23 0.02 A 68 GLU HGy H 1 2.34 0.02 A 68 GLU C C 13 178.8 0.3 A 68 GLU CA C 13 59.5 0.3 A 68 GLU CB C 13 29.4 0.3 A 68 GLU CG C 13 36.1 0.3 A 68 GLU N N 15 118.3 0.3 A 69 ASP H H 1 7.75 0.02 A 69 ASP HA H 1 4.36 0.02 A 69 ASP HBx H 1 2.82 0.02 A 69 ASP HBy H 1 2.99 0.02 A 69 ASP C C 13 178.1 0.3 A 69 ASP CA C 13 56.5 0.3 A 69 ASP CB C 13 40.9 0.3 A 69 ASP N N 15 121.4 0.3 A 70 VAL H H 1 8.23 0.02 A 70 VAL HA H 1 3.05 0.02 A 70 VAL HB H 1 1.51 0.02 A 70 VAL HG1% H 1 0.59 0.02 A 70 VAL HG2% H 1 0.10 0.02 A 70 VAL C C 13 179.9 0.3 A 70 VAL CA C 13 67.5 0.3 A 70 VAL CB C 13 32.4 0.3 A 70 VAL CG1 C 13 23.3 0.3 A 70 VAL CG2 C 13 23.3 0.3 A 70 VAL N N 15 117.6 0.3 A 71 LYS H H 1 8.90 0.02 A 71 LYS HA H 1 3.45 0.02 A 71 LYS HBx H 1 1.87 0.02 A 71 LYS HBy H 1 1.88 0.02 A 71 LYS HD2 H 1 1.72 0.02 A 71 LYS HD3 H 1 1.72 0.02 A 71 LYS HE2 H 1 2.99 0.02 A 71 LYS HE3 H 1 2.99 0.02 A 71 LYS HGx H 1 1.44 0.02 A 71 LYS HGy H 1 1.44 0.02 A 71 LYS C C 13 177.7 0.3 A 71 LYS CA C 13 61.9 0.3 A 71 LYS CB C 13 32.4 0.3 A 71 LYS CD C 13 29.8 0.3 A 71 LYS CE C 13 41.6 0.3 A 71 LYS CG C 13 27.0 0.3 A 71 LYS N N 15 120.9 0.3 A 72 SER H H 1 8.00 0.02 A 72 SER HA H 1 4.34 0.02 A 72 SER HB2 H 1 4.08 0.02 A 72 SER HB3 H 1 4.08 0.02 A 72 SER C C 13 178.3 0.3 A 72 SER CA C 13 61.5 0.3 A 72 SER CB C 13 63.0 0.3 A 72 SER N N 15 114.2 0.3 A 73 ARG H H 1 8.43 0.02 A 73 ARG HA H 1 4.16 0.02 A 73 ARG HB2 H 1 2.06 0.02 A 73 ARG HB3 H 1 2.06 0.02 A 73 ARG HD2 H 1 3.00 0.02 A 73 ARG HD3 H 1 3.00 0.02 A 73 ARG HGx H 1 1.70 0.02 A 73 ARG HGy H 1 1.70 0.02 A 73 ARG C C 13 177.0 0.3 A 73 ARG CA C 13 58.7 0.3 A 73 ARG CB C 13 30.3 0.3 A 73 ARG CD C 13 42.7 0.3 A 73 ARG CG C 13 28.9 0.3 A 73 ARG N N 15 119.7 0.3 A 74 THR H H 1 7.40 0.02 A 74 THR HA H 1 4.21 0.02 A 74 THR HB H 1 4.46 0.02 A 74 THR HG2% H 1 0.86 0.02 A 74 THR C C 13 173.5 0.3 A 74 THR CA C 13 60.3 0.3 A 74 THR CB C 13 70.1 0.3 A 74 THR CG2 C 13 21.6 0.3 A 74 THR N N 15 103.5 0.3 A 75 ASP H H 1 7.90 0.02 A 75 ASP HA H 1 4.28 0.02 A 75 ASP HBx H 1 2.46 0.02 A 75 ASP HBy H 1 2.76 0.02 A 75 ASP C C 13 176.5 0.3 A 75 ASP CA C 13 55.3 0.3 A 75 ASP CB C 13 38.4 0.3 A 75 ASP N N 15 121.3 0.3 A 76 ASN H H 1 9.07 0.02 A 76 ASN HA H 1 4.00 0.02 A 76 ASN HBx H 1 2.65 0.02 A 76 ASN HBy H 1 3.09 0.02 A 76 ASN C C 13 173.6 0.3 A 76 ASN CA C 13 54.0 0.3 A 76 ASN CB C 13 36.6 0.3 A 76 ASN N N 15 116.4 0.3 A 77 LEU H H 1 7.84 0.02 A 77 LEU HA H 1 3.67 0.02 A 77 LEU HBx H 1 1.54 0.02 A 77 LEU HBy H 1 1.54 0.02 A 77 LEU HD1% H 1 0.73 0.02 A 77 LEU HD2% H 1 0.59 0.02 A 77 LEU HG H 1 1.24 0.02 A 77 LEU C C 13 175.2 0.3 A 77 LEU CA C 13 55.9 0.3 A 77 LEU CB C 13 37.9 0.3 A 77 LEU CD1 C 13 25.6 0.3 A 77 LEU CD2 C 13 22.9 0.3 A 77 LEU CG C 13 27.5 0.3 A 77 LEU N N 15 112.3 0.3 A 78 THR H H 1 8.24 0.02 A 78 THR HA H 1 4.22 0.02 A 78 THR HB H 1 4.45 0.02 A 78 THR HG2% H 1 1.17 0.02 A 78 THR C C 13 172.2 0.3 A 78 THR CA C 13 60.6 0.3 A 78 THR CB C 13 69.3 0.3 A 78 THR CG2 C 13 21.4 0.3 A 78 THR N N 15 106.0 0.3 A 79 ASP H H 1 7.49 0.02 A 79 ASP HA H 1 4.73 0.02 A 79 ASP HBx H 1 2.07 0.02 A 79 ASP HBy H 1 2.83 0.02 A 79 ASP C C 13 173.0 0.3 A 79 ASP CA C 13 51.5 0.3 A 79 ASP CB C 13 44.3 0.3 A 79 ASP N N 15 118.6 0.3 A 80 CYS H H 1 8.48 0.02 A 80 CYS HA H 1 4.47 0.02 A 80 CYS HBx H 1 3.10 0.02 A 80 CYS HBy H 1 3.27 0.02 A 80 CYS C C 13 174.0 0.3 A 80 CYS CA C 13 56.3 0.3 A 80 CYS CB C 13 29.5 0.3 A 80 CYS N N 15 115.9 0.3 A 81 ARG H H 1 8.38 0.02 A 81 ARG HA H 1 4.68 0.02 A 81 ARG HBx H 1 1.93 0.02 A 81 ARG HBy H 1 1.93 0.02 A 81 ARG HD2 H 1 2.98 0.02 A 81 ARG HD3 H 1 2.98 0.02 A 81 ARG HG2 H 1 1.69 0.02 A 81 ARG HG3 H 1 1.69 0.02 A 81 ARG C C 13 175.5 0.3 A 81 ARG CA C 13 54.2 0.3 A 81 ARG CB C 13 39.0 0.3 A 81 ARG CD C 13 42.6 0.3 A 81 ARG CG C 13 29.3 0.3 A 81 ARG N N 15 115.6 0.3 A 82 TYR H H 1 8.17 0.02 A 82 TYR HA H 1 5.78 0.02 A 82 TYR HBx H 1 2.99 0.02 A 82 TYR HBy H 1 3.25 0.02 A 82 TYR HDx H 1 6.93 0.02 A 82 TYR HDy H 1 6.99 0.02 A 82 TYR C C 13 175.2 0.3 A 82 TYR CA C 13 55.2 0.3 A 82 TYR CB C 13 42.2 0.3 A 82 TYR CD1 C 13 120.5 0.3 A 82 TYR N N 15 114.2 0.3 A 83 ALA H H 1 8.78 0.02 A 83 ALA HA H 1 5.73 0.02 A 83 ALA HB% H 1 1.67 0.02 A 83 ALA C C 13 175.9 0.3 A 83 ALA CA C 13 52.0 0.3 A 83 ALA CB C 13 24.3 0.3 A 83 ALA N N 15 121.3 0.3 A 84 VAL H H 1 9.15 0.02 A 84 VAL HA H 1 6.18 0.02 A 84 VAL HB H 1 2.23 0.02 A 84 VAL HG1% H 1 1.38 0.02 A 84 VAL HG2% H 1 1.38 0.02 A 84 VAL C C 13 176.9 0.3 A 84 VAL CA C 13 58.8 0.3 A 84 VAL CB C 13 35.6 0.3 A 84 VAL CG1 C 13 24.0 0.3 A 84 VAL CG2 C 13 21.7 0.3 A 84 VAL N N 15 111.7 0.3 A 85 PHE H H 1 8.78 0.02 A 85 PHE HA H 1 4.71 0.02 A 85 PHE HBx H 1 2.74 0.02 A 85 PHE HBy H 1 2.74 0.02 A 85 PHE HD1 H 1 6.55 0.02 A 85 PHE HD2 H 1 6.55 0.02 A 85 PHE HEx H 1 6.65 0.02 A 85 PHE HEy H 1 6.65 0.02 A 85 PHE C C 13 176.5 0.3 A 85 PHE CA C 13 57.2 0.3 A 85 PHE CB C 13 43.9 0.3 A 85 PHE CD1 C 13 124.9 0.3 A 85 PHE CD2 C 13 124.9 0.3 A 85 PHE CE1 C 13 134.0 0.3 A 85 PHE CE2 C 13 134.0 0.3 A 85 PHE N N 15 121.6 0.3 A 86 ASP H H 1 7.49 0.02 A 86 ASP HA H 1 4.83 0.02 A 86 ASP HBx H 1 2.24 0.02 A 86 ASP HBy H 1 2.70 0.02 A 86 ASP C C 13 171.8 0.3 A 86 ASP CA C 13 54.3 0.3 A 86 ASP CB C 13 40.3 0.3 A 86 ASP N N 15 126.7 0.3 A 87 PHE H H 1 9.60 0.02 A 87 PHE HA H 1 3.98 0.02 A 87 PHE HB2 H 1 2.98 0.02 A 87 PHE HB3 H 1 2.98 0.02 A 87 PHE HD1 H 1 6.89 0.02 A 87 PHE HD2 H 1 6.89 0.02 A 87 PHE HEx H 1 7.13 0.02 A 87 PHE HEy H 1 7.13 0.02 A 87 PHE C C 13 173.6 0.3 A 87 PHE CA C 13 59.7 0.3 A 87 PHE CB C 13 42.9 0.3 A 87 PHE CD1 C 13 124.1 0.3 A 87 PHE CD2 C 13 124.1 0.3 A 87 PHE CE1 C 13 123.5 0.3 A 87 PHE CE2 C 13 123.5 0.3 A 87 PHE N N 15 135.0 0.3 A 88 LYS H H 1 7.55 0.02 A 88 LYS HA H 1 5.26 0.02 A 88 LYS HB2 H 1 2.05 0.02 A 88 LYS HB3 H 1 2.05 0.02 A 88 LYS HD2 H 1 1.02 0.02 A 88 LYS HD3 H 1 1.02 0.02 A 88 LYS HE2 H 1 2.64 0.02 A 88 LYS HE3 H 1 2.64 0.02 A 88 LYS HGy H 1 0.78 0.02 A 88 LYS HGx H 1 0.77 0.02 A 88 LYS C C 13 176.2 0.3 A 88 LYS CA C 13 55.5 0.3 A 88 LYS CB C 13 33.1 0.3 A 88 LYS CD C 13 26.8 0.3 A 88 LYS CE C 13 38.5 0.3 A 88 LYS CG C 13 22.1 0.3 A 88 LYS N N 15 127.7 0.3 A 89 PHE H H 1 9.60 0.02 A 89 PHE HA H 1 5.29 0.02 A 89 PHE HBx H 1 3.16 0.02 A 89 PHE HBy H 1 3.34 0.02 A 89 PHE HDx H 1 7.16 0.02 A 89 PHE HDy H 1 7.16 0.02 A 89 PHE HEx H 1 6.94 0.02 A 89 PHE HEy H 1 6.94 0.02 A 89 PHE C C 13 172.1 0.3 A 89 PHE CA C 13 56.3 0.3 A 89 PHE CB C 13 40.2 0.3 A 89 PHE CD1 C 13 119.0 0.3 A 89 PHE CD2 C 13 119.0 0.3 A 89 PHE CE1 C 13 121.7 0.3 A 89 PHE CE2 C 13 121.7 0.3 A 89 PHE N N 15 119.7 0.3 A 90 THR H H 1 8.17 0.02 A 90 THR HA H 1 5.17 0.02 A 90 THR HB H 1 4.07 0.02 A 90 THR HG2% H 1 1.20 0.02 A 90 THR C C 13 174.1 0.3 A 90 THR CA C 13 60.5 0.3 A 90 THR CB C 13 71.2 0.3 A 90 THR CG2 C 13 21.8 0.3 A 90 THR N N 15 111.8 0.3 A 91 CYS H H 1 8.81 0.02 A 91 CYS HA H 1 4.88 0.02 A 91 CYS HB2 H 1 2.85 0.02 A 91 CYS HB3 H 1 2.85 0.02 A 91 CYS C C 13 173.6 0.3 A 91 CYS CA C 13 57.2 0.3 A 91 CYS CB C 13 30.3 0.3 A 91 CYS N N 15 121.3 0.3 A 92 SER H H 1 8.96 0.02 A 92 SER HA H 1 4.18 0.02 A 92 SER HBx H 1 3.83 0.02 A 92 SER HBy H 1 3.88 0.02 A 92 SER C C 13 173.6 0.3 A 92 SER CA C 13 58.3 0.3 A 92 SER CB C 13 64.0 0.3 A 92 SER N N 15 120.8 0.3 A 93 ARG H H 1 8.14 0.02 A 93 ARG HA H 1 4.71 0.02 A 93 ARG HB2 H 1 1.87 0.02 A 93 ARG HB3 H 1 1.87 0.02 A 93 ARG HD2 H 1 3.18 0.02 A 93 ARG HD3 H 1 3.18 0.02 A 93 ARG HG2 H 1 1.62 0.02 A 93 ARG HG3 H 1 1.62 0.02 A 93 ARG C C 13 176.3 0.3 A 93 ARG CA C 13 54.8 0.3 A 93 ARG CB C 13 32.8 0.3 A 93 ARG CD C 13 43.4 0.3 A 93 ARG CG C 13 27.0 0.3 A 93 ARG N N 15 123.6 0.3 A 94 VAL H H 1 8.88 0.02 A 94 VAL HA H 1 3.85 0.02 A 94 VAL HB H 1 2.01 0.02 A 94 VAL HG1% H 1 1.02 0.02 A 94 VAL HG2% H 1 0.94 0.02 A 94 VAL C C 13 177.4 0.3 A 94 VAL CA C 13 64.3 0.3 A 94 VAL CB C 13 31.9 0.3 A 94 VAL CG1 C 13 21.6 0.3 A 94 VAL CG2 C 13 20.9 0.3 A 94 VAL N N 15 124.7 0.3 A 95 GLY H H 1 8.90 0.02 A 95 GLY HAx H 1 3.75 0.02 A 95 GLY HAy H 1 4.14 0.02 A 95 GLY C C 13 174.1 0.3 A 95 GLY CA C 13 45.8 0.3 A 95 GLY N N 15 115.1 0.3 A 96 ALA H H 1 8.07 0.02 A 96 ALA HA H 1 4.52 0.02 A 96 ALA HB% H 1 1.36 0.02 A 96 ALA C C 13 177.5 0.3 A 96 ALA CA C 13 52.1 0.3 A 96 ALA CB C 13 20.3 0.3 A 96 ALA N N 15 123.0 0.3 A 97 GLY H H 1 8.27 0.02 A 97 GLY HAx H 1 3.97 0.02 A 97 GLY HAy H 1 4.11 0.02 A 97 GLY C C 13 174.0 0.3 A 97 GLY CA C 13 45.3 0.3 A 97 GLY N N 15 107.8 0.3 A 98 THR H H 1 8.33 0.02 A 98 THR HA H 1 4.72 0.02 A 98 THR HB H 1 4.02 0.02 A 98 THR HG2% H 1 1.13 0.02 A 98 THR C C 13 174.3 0.3 A 98 THR CA C 13 61.9 0.3 A 98 THR CB C 13 70.4 0.3 A 98 THR CG2 C 13 21.7 0.3 A 98 THR N N 15 115.6 0.3 A 99 SER H H 1 8.76 0.02 A 99 SER HA H 1 4.66 0.02 A 99 SER HB2 H 1 3.72 0.02 A 99 SER HB3 H 1 3.72 0.02 A 99 SER C C 13 173.0 0.3 A 99 SER CA C 13 57.7 0.3 A 99 SER CB C 13 65.3 0.3 A 99 SER N N 15 119.9 0.3 A 100 LYS H H 1 8.28 0.02 A 100 LYS HA H 1 4.26 0.02 A 100 LYS HB2 H 1 1.62 0.02 A 100 LYS HB3 H 1 1.62 0.02 A 100 LYS HD2 H 1 0.76 0.02 A 100 LYS HD3 H 1 0.76 0.02 A 100 LYS HE2 H 1 2.49 0.02 A 100 LYS HE3 H 1 2.49 0.02 A 100 LYS HG2 H 1 0.58 0.02 A 100 LYS HG3 H 1 0.58 0.02 A 100 LYS C C 13 175.6 0.3 A 100 LYS CA C 13 56.9 0.3 A 100 LYS CB C 13 33.0 0.3 A 100 LYS CD C 13 29.2 0.3 A 100 LYS CE C 13 42.0 0.3 A 100 LYS CG C 13 25.5 0.3 A 100 LYS N N 15 123.8 0.3 A 101 MET H H 1 8.91 0.02 A 101 MET HA H 1 4.51 0.02 A 101 MET HBx H 1 2.00 0.02 A 101 MET HBy H 1 2.06 0.02 A 101 MET HG2 H 1 2.58 0.02 A 101 MET HG3 H 1 2.58 0.02 A 101 MET C C 13 172.7 0.3 A 101 MET CA C 13 54.6 0.3 A 101 MET CB C 13 35.9 0.3 A 101 MET CG C 13 31.5 0.3 A 101 MET N N 15 123.2 0.3 A 102 ASP H H 1 8.03 0.02 A 102 ASP HA H 1 5.69 0.02 A 102 ASP HBx H 1 2.54 0.02 A 102 ASP HBy H 1 2.70 0.02 A 102 ASP C C 13 175.6 0.3 A 102 ASP CA C 13 52.5 0.3 A 102 ASP CB C 13 42.7 0.3 A 102 ASP N N 15 119.0 0.3 A 103 LYS H H 1 9.34 0.02 A 103 LYS HA H 1 4.81 0.02 A 103 LYS HB2 H 1 1.90 0.02 A 103 LYS HB3 H 1 1.90 0.02 A 103 LYS HD2 H 1 1.51 0.02 A 103 LYS HD3 H 1 1.51 0.02 A 103 LYS HE2 H 1 2.99 0.02 A 103 LYS HE3 H 1 2.99 0.02 A 103 LYS HG2 H 1 1.37 0.02 A 103 LYS HG3 H 1 1.37 0.02 A 103 LYS C C 13 174.4 0.3 A 103 LYS CA C 13 53.4 0.3 A 103 LYS CB C 13 36.5 0.3 A 103 LYS CD C 13 28.2 0.3 A 103 LYS CE C 13 42.6 0.3 A 103 LYS CG C 13 24.4 0.3 A 103 LYS N N 15 122.1 0.3 A 104 ILE H H 1 8.81 0.02 A 104 ILE HA H 1 3.78 0.02 A 104 ILE HB H 1 1.96 0.02 A 104 ILE HD1% H 1 0.98 0.02 A 104 ILE HG1x H 1 1.37 0.02 A 104 ILE HG1y H 1 1.66 0.02 A 104 ILE HG2% H 1 0.86 0.02 A 104 ILE C C 13 175.9 0.3 A 104 ILE CA C 13 61.7 0.3 A 104 ILE CB C 13 37.7 0.3 A 104 ILE CD1 C 13 13.2 0.3 A 104 ILE CG1 C 13 29.2 0.3 A 104 ILE CG2 C 13 17.6 0.3 A 104 ILE N N 15 123.5 0.3 A 105 ILE H H 1 8.13 0.02 A 105 ILE HA H 1 5.31 0.02 A 105 ILE HB H 1 2.23 0.02 A 105 ILE HD1% H 1 0.88 0.02 A 105 ILE HG1x H 1 1.85 0.02 A 105 ILE HG1y H 1 1.94 0.02 A 105 ILE HG2% H 1 1.13 0.02 A 105 ILE C C 13 174.2 0.3 A 105 ILE CA C 13 59.7 0.3 A 105 ILE CB C 13 39.8 0.3 A 105 ILE CD1 C 13 14.6 0.3 A 105 ILE CG1 C 13 27.2 0.3 A 105 ILE CG2 C 13 18.7 0.3 A 105 ILE N N 15 119.2 0.3 A 106 PHE H H 1 9.57 0.02 A 106 PHE HA H 1 5.68 0.02 A 106 PHE HBx H 1 2.76 0.02 A 106 PHE HBy H 1 2.98 0.02 A 106 PHE HD1 H 1 7.06 0.02 A 106 PHE HD2 H 1 7.06 0.02 A 106 PHE HE1 H 1 7.06 0.02 A 106 PHE HE2 H 1 7.06 0.02 A 106 PHE C C 13 173.5 0.3 A 106 PHE CA C 13 56.0 0.3 A 106 PHE CB C 13 43.0 0.3 A 106 PHE CD1 C 13 121.6 0.3 A 106 PHE CD2 C 13 121.6 0.3 A 106 PHE CE1 C 13 121.6 0.3 A 106 PHE CE2 C 13 121.6 0.3 A 106 PHE N N 15 125.8 0.3 A 107 LEU H H 1 9.32 0.02 A 107 LEU HA H 1 5.30 0.02 A 107 LEU HB2 H 1 1.67 0.02 A 107 LEU HB3 H 1 1.67 0.02 A 107 LEU HD1% H 1 1.02 0.02 A 107 LEU HD2% H 1 1.02 0.02 A 107 LEU HG H 1 1.59 0.02 A 107 LEU C C 13 174.6 0.3 A 107 LEU CA C 13 53.3 0.3 A 107 LEU CB C 13 44.4 0.3 A 107 LEU CD1 C 13 26.4 0.3 A 107 LEU CD2 C 13 25.4 0.3 A 107 LEU CG C 13 27.4 0.3 A 107 LEU N N 15 125.9 0.3 A 108 GLN H H 1 8.62 0.02 A 108 GLN HA H 1 4.67 0.02 A 108 GLN HB2 H 1 2.32 0.02 A 108 GLN HB3 H 1 2.32 0.02 A 108 GLN HG2 H 1 2.62 0.02 A 108 GLN HG3 H 1 2.62 0.02 A 108 GLN C C 13 173.9 0.3 A 108 GLN CA C 13 55.5 0.3 A 108 GLN CB C 13 30.2 0.3 A 108 GLN CG C 13 35.0 0.3 A 108 GLN N N 15 124.8 0.3 A 109 ILE H H 1 8.55 0.02 A 109 ILE HA H 1 4.34 0.02 A 109 ILE HB H 1 1.71 0.02 A 109 ILE HD1% H 1 0.56 0.02 A 109 ILE HG1x H 1 1.38 0.02 A 109 ILE HG1y H 1 1.60 0.02 A 109 ILE HG2% H 1 0.25 0.02 A 109 ILE C C 13 173.8 0.3 A 109 ILE CA C 13 61.5 0.3 A 109 ILE CB C 13 37.6 0.3 A 109 ILE CD1 C 13 16.9 0.3 A 109 ILE CG1 C 13 27.5 0.3 A 109 ILE CG2 C 13 19.2 0.3 A 109 ILE N N 15 128.4 0.3 A 110 CYS H H 1 8.33 0.02 A 110 CYS HA H 1 5.34 0.02 A 110 CYS HB2 H 1 1.67 0.02 A 110 CYS HB3 H 1 1.67 0.02 A 110 CYS C C 13 171.2 0.3 A 110 CYS CA C 13 54.4 0.3 A 110 CYS CB C 13 29.4 0.3 A 110 CYS N N 15 125.8 0.3 A 111 PRO HA H 1 4.47 0.02 A 111 PRO HBy H 1 2.03 0.02 A 111 PRO HBx H 1 1.91 0.02 A 111 PRO HG2 H 1 1.39 0.02 A 111 PRO HG3 H 1 1.39 0.02 A 111 PRO CA C 13 59.5 0.3 A 111 PRO CD C 13 48.3 0.3 A 111 PRO CG C 13 25.4 0.3 A 112 ASP H H 1 8.39 0.02 A 112 ASP HA H 1 4.26 0.02 A 112 ASP HB2 H 1 2.67 0.02 A 112 ASP HB3 H 1 2.67 0.02 A 112 ASP C C 13 177.4 0.3 A 112 ASP CA C 13 57.7 0.3 A 112 ASP CB C 13 41.3 0.3 A 112 ASP N N 15 120.6 0.3 A 113 GLY H H 1 8.52 0.02 A 113 GLY HAx H 1 3.70 0.02 A 113 GLY HAy H 1 4.08 0.02 A 113 GLY C C 13 174.5 0.3 A 113 GLY CA C 13 45.5 0.3 A 113 GLY N N 15 103.4 0.3 A 114 ALA H H 1 7.56 0.02 A 114 ALA HA H 1 4.36 0.02 A 114 ALA HB% H 1 1.16 0.02 A 114 ALA C C 13 176.2 0.3 A 114 ALA CA C 13 51.0 0.3 A 114 ALA CB C 13 20.5 0.3 A 114 ALA N N 15 122.0 0.3 A 115 SER H H 1 8.62 0.02 A 115 SER HA H 1 4.40 0.02 A 115 SER HB2 H 1 4.03 0.02 A 115 SER HB3 H 1 4.03 0.02 A 115 SER C C 13 175.6 0.3 A 115 SER CA C 13 57.7 0.3 A 115 SER CB C 13 64.4 0.3 A 115 SER N N 15 115.9 0.3 A 116 ILE H H 1 8.81 0.02 A 116 ILE HA H 1 4.74 0.02 A 116 ILE HB H 1 1.96 0.02 A 116 ILE HD1% H 1 0.85 0.02 A 116 ILE HG1x H 1 1.38 0.02 A 116 ILE HG1y H 1 1.64 0.02 A 116 ILE HG2% H 1 1.02 0.02 A 116 ILE C C 13 177.6 0.3 A 116 ILE CA C 13 61.9 0.3 A 116 ILE CB C 13 37.8 0.3 A 116 ILE CD1 C 13 13.3 0.3 A 116 ILE CG1 C 13 29.0 0.3 A 116 ILE CG2 C 13 17.7 0.3 A 116 ILE N N 15 123.7 0.3 A 117 LYS H H 1 8.14 0.02 A 117 LYS HA H 1 4.08 0.02 A 117 LYS HBx H 1 1.81 0.02 A 117 LYS HBy H 1 1.88 0.02 A 117 LYS HD2 H 1 1.55 0.02 A 117 LYS HD3 H 1 1.55 0.02 A 117 LYS HE2 H 1 2.99 0.02 A 117 LYS HE3 H 1 2.99 0.02 A 117 LYS HG2 H 1 1.46 0.02 A 117 LYS HG3 H 1 1.46 0.02 A 117 LYS C C 13 179.4 0.3 A 117 LYS CA C 13 59.6 0.3 A 117 LYS CB C 13 32.7 0.3 A 117 LYS CD C 13 29.3 0.3 A 117 LYS CE C 13 42.3 0.3 A 117 LYS CG C 13 25.3 0.3 A 117 LYS N N 15 119.2 0.3 A 118 LYS H H 1 7.57 0.02 A 118 LYS HA H 1 4.29 0.02 A 118 LYS HB2 H 1 2.24 0.02 A 118 LYS HB3 H 1 2.24 0.02 A 118 LYS HD2 H 1 1.82 0.02 A 118 LYS HD3 H 1 1.82 0.02 A 118 LYS HEx H 1 3.07 0.02 A 118 LYS HEy H 1 3.07 0.02 A 118 LYS HG2 H 1 1.58 0.02 A 118 LYS HG3 H 1 1.58 0.02 A 118 LYS C C 13 178.7 0.3 A 118 LYS CA C 13 58.5 0.3 A 118 LYS CB C 13 32.5 0.3 A 118 LYS CD C 13 29.0 0.3 A 118 LYS CE C 13 42.1 0.3 A 118 LYS CG C 13 25.3 0.3 A 118 LYS N N 15 118.7 0.3 A 119 LYS H H 1 8.45 0.02 A 119 LYS HA H 1 4.34 0.02 A 119 LYS HB2 H 1 1.87 0.02 A 119 LYS HB3 H 1 1.87 0.02 A 119 LYS HD2 H 1 1.54 0.02 A 119 LYS HD3 H 1 1.54 0.02 A 119 LYS HE2 H 1 2.82 0.02 A 119 LYS HE3 H 1 2.82 0.02 A 119 LYS HG2 H 1 0.69 0.02 A 119 LYS HG3 H 1 0.69 0.02 A 119 LYS C C 13 179.6 0.3 A 119 LYS CA C 13 61.3 0.3 A 119 LYS CB C 13 32.3 0.3 A 119 LYS CD C 13 29.5 0.3 A 119 LYS CE C 13 42.0 0.3 A 119 LYS CG C 13 27.5 0.3 A 119 LYS N N 15 118.9 0.3 A 120 MET H H 1 8.42 0.02 A 120 MET HA H 1 4.29 0.02 A 120 MET HBx H 1 2.23 0.02 A 120 MET HBy H 1 2.57 0.02 A 120 MET HG2 H 1 2.82 0.02 A 120 MET HG3 H 1 2.82 0.02 A 120 MET C C 13 179.5 0.3 A 120 MET CA C 13 59.1 0.3 A 120 MET CB C 13 32.4 0.3 A 120 MET CG C 13 40.8 0.3 A 120 MET N N 15 117.4 0.3 A 121 VAL H H 1 8.00 0.02 A 121 VAL HA H 1 3.98 0.02 A 121 VAL HB H 1 2.25 0.02 A 121 VAL HG1% H 1 1.10 0.02 A 121 VAL HG2% H 1 0.95 0.02 A 121 VAL C C 13 179.2 0.3 A 121 VAL CA C 13 66.2 0.3 A 121 VAL CB C 13 32.3 0.3 A 121 VAL CG1 C 13 22.8 0.3 A 121 VAL CG2 C 13 20.8 0.3 A 121 VAL N N 15 121.8 0.3 A 122 TYR H H 1 8.61 0.02 A 122 TYR HA H 1 4.23 0.02 A 122 TYR HBx H 1 2.84 0.02 A 122 TYR HBy H 1 3.04 0.02 A 122 TYR HDx H 1 7.08 0.02 A 122 TYR HDy H 1 7.08 0.02 A 122 TYR HE1 H 1 6.57 0.02 A 122 TYR HE2 H 1 6.57 0.02 A 122 TYR C C 13 180.7 0.3 A 122 TYR CA C 13 61.4 0.3 A 122 TYR CB C 13 38.3 0.3 A 122 TYR CD1 C 13 119.2 0.3 A 122 TYR CD2 C 13 119.2 0.3 A 122 TYR CE1 C 13 134.5 0.3 A 122 TYR CE2 C 13 134.5 0.3 A 122 TYR N N 15 121.3 0.3 A 123 ALA H H 1 8.76 0.02 A 123 ALA HA H 1 4.36 0.02 A 123 ALA HB% H 1 1.66 0.02 A 123 ALA C C 13 180.8 0.3 A 123 ALA CA C 13 55.8 0.3 A 123 ALA CB C 13 18.2 0.3 A 123 ALA N N 15 124.0 0.3 A 124 SER H H 1 8.50 0.02 A 124 SER HA H 1 4.34 0.02 A 124 SER HBx H 1 4.07 0.02 A 124 SER HBy H 1 4.08 0.02 A 124 SER C C 13 176.4 0.3 A 124 SER CA C 13 61.5 0.3 A 124 SER CB C 13 63.3 0.3 A 124 SER N N 15 113.2 0.3 A 125 SER H H 1 7.48 0.02 A 125 SER HA H 1 4.46 0.02 A 125 SER HB2 H 1 3.89 0.02 A 125 SER HB3 H 1 3.89 0.02 A 125 SER C C 13 173.1 0.3 A 125 SER CA C 13 59.4 0.3 A 125 SER CB C 13 63.4 0.3 A 125 SER N N 15 115.2 0.3 A 126 ALA H H 1 7.10 0.02 A 126 ALA HA H 1 3.78 0.02 A 126 ALA HB% H 1 1.66 0.02 A 126 ALA C C 13 178.6 0.3 A 126 ALA CA C 13 54.9 0.3 A 126 ALA CB C 13 18.7 0.3 A 126 ALA N N 15 122.6 0.3 A 127 ALA H H 1 8.48 0.02 A 127 ALA HA H 1 3.86 0.02 A 127 ALA HB% H 1 1.32 0.02 A 127 ALA C C 13 179.7 0.3 A 127 ALA CA C 13 55.2 0.3 A 127 ALA CB C 13 17.7 0.3 A 127 ALA N N 15 118.8 0.3 A 128 ALA H H 1 7.80 0.02 A 128 ALA HA H 1 3.99 0.02 A 128 ALA HB% H 1 1.32 0.02 A 128 ALA C C 13 180.6 0.3 A 128 ALA CA C 13 55.1 0.3 A 128 ALA CB C 13 17.9 0.3 A 128 ALA N N 15 120.7 0.3 A 129 ILE H H 1 7.18 0.02 A 129 ILE HA H 1 3.78 0.02 A 129 ILE HB H 1 1.25 0.02 A 129 ILE HD1% H 1 -0.00 0.02 A 129 ILE HG1x H 1 0.51 0.02 A 129 ILE HG1y H 1 0.90 0.02 A 129 ILE HG2% H 1 0.28 0.02 A 129 ILE C C 13 176.1 0.3 A 129 ILE CA C 13 63.3 0.3 A 129 ILE CB C 13 37.2 0.3 A 129 ILE CD1 C 13 13.8 0.3 A 129 ILE CG1 C 13 29.7 0.3 A 129 ILE CG2 C 13 15.9 0.3 A 129 ILE N N 15 114.9 0.3 A 130 LYS H H 1 7.87 0.02 A 130 LYS HA H 1 3.87 0.02 A 130 LYS HB2 H 1 2.00 0.02 A 130 LYS HB3 H 1 2.00 0.02 A 130 LYS HD2 H 1 1.70 0.02 A 130 LYS HD3 H 1 1.70 0.02 A 130 LYS HE2 H 1 2.96 0.02 A 130 LYS HE3 H 1 2.96 0.02 A 130 LYS HG2 H 1 1.00 0.02 A 130 LYS HG3 H 1 1.00 0.02 A 130 LYS C C 13 178.4 0.3 A 130 LYS CA C 13 61.1 0.3 A 130 LYS CB C 13 31.5 0.3 A 130 LYS CD C 13 29.1 0.3 A 130 LYS CE C 13 42.1 0.3 A 130 LYS CG C 13 26.3 0.3 A 130 LYS N N 15 122.4 0.3 A 131 THR H H 1 8.00 0.02 A 131 THR HA H 1 3.87 0.02 A 131 THR HB H 1 4.11 0.02 A 131 THR HG2% H 1 1.16 0.02 A 131 THR C C 13 176.3 0.3 A 131 THR CA C 13 65.9 0.3 A 131 THR CB C 13 68.7 0.3 A 131 THR CG2 C 13 21.5 0.3 A 131 THR N N 15 113.0 0.3 A 132 SER H H 1 7.29 0.02 A 132 SER HA H 1 4.10 0.02 A 132 SER HBx H 1 3.68 0.02 A 132 SER HBy H 1 3.78 0.02 A 132 SER C C 13 174.9 0.3 A 132 SER CA C 13 61.9 0.3 A 132 SER CB C 13 63.3 0.3 A 132 SER N N 15 117.3 0.3 A 133 LEU H H 1 7.33 0.02 A 133 LEU HA H 1 3.70 0.02 A 133 LEU HBx H 1 0.61 0.02 A 133 LEU HBy H 1 1.15 0.02 A 133 LEU HD1% H 1 0.06 0.02 A 133 LEU HD2% H 1 0.06 0.02 A 133 LEU HG H 1 1.36 0.02 A 133 LEU C C 13 176.6 0.3 A 133 LEU CA C 13 56.3 0.3 A 133 LEU CB C 13 40.4 0.3 A 133 LEU CD1 C 13 21.3 0.3 A 133 LEU CD2 C 13 21.3 0.3 A 133 LEU CG C 13 25.7 0.3 A 133 LEU N N 15 118.1 0.3 A 134 GLY H H 1 7.42 0.02 A 134 GLY HAx H 1 3.67 0.02 A 134 GLY HAy H 1 4.23 0.02 A 134 GLY C C 13 174.8 0.3 A 134 GLY CA C 13 45.3 0.3 A 134 GLY N N 15 105.6 0.3 A 135 THR H H 1 8.45 0.02 A 135 THR HA H 1 3.87 0.02 A 135 THR HB H 1 4.23 0.02 A 135 THR HG2% H 1 1.08 0.02 A 135 THR C C 13 176.0 0.3 A 135 THR CA C 13 63.9 0.3 A 135 THR CB C 13 68.6 0.3 A 135 THR CG2 C 13 22.2 0.3 A 135 THR N N 15 116.6 0.3 A 136 GLY H H 1 8.72 0.02 A 136 GLY HAx H 1 3.84 0.02 A 136 GLY HAy H 1 4.13 0.02 A 136 GLY C C 13 175.0 0.3 A 136 GLY CA C 13 45.7 0.3 A 136 GLY N N 15 109.3 0.3 A 137 LYS H H 1 8.11 0.02 A 137 LYS HA H 1 4.50 0.02 A 137 LYS HBx H 1 1.99 0.02 A 137 LYS HBy H 1 2.12 0.02 A 137 LYS HDx H 1 1.73 0.02 A 137 LYS HDy H 1 1.82 0.02 A 137 LYS HE2 H 1 2.99 0.02 A 137 LYS HE3 H 1 2.99 0.02 A 137 LYS HGx H 1 1.45 0.02 A 137 LYS HGy H 1 1.58 0.02 A 137 LYS C C 13 176.2 0.3 A 137 LYS CA C 13 56.3 0.3 A 137 LYS CB C 13 34.1 0.3 A 137 LYS CD C 13 29.4 0.3 A 137 LYS CE C 13 42.4 0.3 A 137 LYS CG C 13 25.5 0.3 A 137 LYS N N 15 118.5 0.3 A 138 ILE H H 1 7.27 0.02 A 138 ILE HA H 1 5.05 0.02 A 138 ILE HB H 1 1.82 0.02 A 138 ILE HD1% H 1 0.85 0.02 A 138 ILE HG12 H 1 1.46 0.02 A 138 ILE HG13 H 1 1.46 0.02 A 138 ILE HG2% H 1 0.88 0.02 A 138 ILE C C 13 174.7 0.3 A 138 ILE CA C 13 59.5 0.3 A 138 ILE CB C 13 41.6 0.3 A 138 ILE CD1 C 13 13.4 0.3 A 138 ILE CG1 C 13 25.3 0.3 A 138 ILE CG2 C 13 18.3 0.3 A 138 ILE N N 15 111.4 0.3 A 139 LEU H H 1 8.45 0.02 A 139 LEU HA H 1 4.69 0.02 A 139 LEU HB2 H 1 1.67 0.02 A 139 LEU HB3 H 1 1.67 0.02 A 139 LEU HD1% H 1 0.98 0.02 A 139 LEU HD2% H 1 0.86 0.02 A 139 LEU HG H 1 1.61 0.02 A 139 LEU C C 13 175.6 0.3 A 139 LEU CA C 13 54.2 0.3 A 139 LEU CB C 13 43.8 0.3 A 139 LEU CD1 C 13 25.0 0.3 A 139 LEU CD2 C 13 25.0 0.3 A 139 LEU CG C 13 27.2 0.3 A 139 LEU N N 15 124.6 0.3 A 140 GLN H H 1 8.59 0.02 A 140 GLN HA H 1 5.35 0.02 A 140 GLN HBx H 1 1.98 0.02 A 140 GLN HBy H 1 2.10 0.02 A 140 GLN HG2 H 1 2.30 0.02 A 140 GLN HG3 H 1 2.30 0.02 A 140 GLN C C 13 174.9 0.3 A 140 GLN CA C 13 55.8 0.3 A 140 GLN CB C 13 30.9 0.3 A 140 GLN CG C 13 33.7 0.3 A 140 GLN N N 15 123.5 0.3 A 141 PHE H H 1 9.28 0.02 A 141 PHE HA H 1 4.87 0.02 A 141 PHE HBx H 1 2.69 0.02 A 141 PHE HBy H 1 3.08 0.02 A 141 PHE HD1 H 1 7.22 0.02 A 141 PHE HD2 H 1 7.22 0.02 A 141 PHE HE1 H 1 7.06 0.02 A 141 PHE HE2 H 1 7.06 0.02 A 141 PHE C C 13 174.7 0.3 A 141 PHE CA C 13 57.3 0.3 A 141 PHE CB C 13 42.8 0.3 A 141 PHE CD1 C 13 120.1 0.3 A 141 PHE CD2 C 13 120.1 0.3 A 141 PHE CE1 C 13 123.4 0.3 A 141 PHE CE2 C 13 123.4 0.3 A 141 PHE N N 15 120.5 0.3 A 142 GLN H H 1 9.08 0.02 A 142 GLN HA H 1 4.88 0.02 A 142 GLN HB2 H 1 2.10 0.02 A 142 GLN HB3 H 1 2.10 0.02 A 142 GLN HG2 H 1 2.36 0.02 A 142 GLN HG3 H 1 2.36 0.02 A 142 GLN C C 13 174.9 0.3 A 142 GLN CA C 13 55.5 0.3 A 142 GLN CB C 13 30.2 0.3 A 142 GLN CG C 13 34.3 0.3 A 142 GLN N N 15 123.7 0.3 A 143 VAL H H 1 8.56 0.02 A 143 VAL HA H 1 4.60 0.02 A 143 VAL HB H 1 1.97 0.02 A 143 VAL HG1% H 1 0.86 0.02 A 143 VAL HG2% H 1 0.83 0.02 A 143 VAL C C 13 174.8 0.3 A 143 VAL CA C 13 60.9 0.3 A 143 VAL CB C 13 35.7 0.3 A 143 VAL CG1 C 13 21.9 0.3 A 143 VAL CG2 C 13 20.9 0.3 A 143 VAL N N 15 120.9 0.3 A 144 SER H H 1 9.64 0.02 A 144 SER HA H 1 4.74 0.02 A 144 SER HBx H 1 3.90 0.02 A 144 SER HBy H 1 3.95 0.02 A 144 SER C C 13 173.2 0.3 A 144 SER CA C 13 58.2 0.3 A 144 SER CB C 13 65.6 0.3 A 144 SER N N 15 120.5 0.3 A 145 ASP H H 1 7.76 0.02 A 145 ASP HA H 1 4.70 0.02 A 145 ASP HBx H 1 2.73 0.02 A 145 ASP HBy H 1 2.88 0.02 A 145 ASP C C 13 175.5 0.3 A 145 ASP CA C 13 53.3 0.3 A 145 ASP CB C 13 44.1 0.3 A 145 ASP N N 15 118.6 0.3 A 146 GLU H H 1 8.95 0.02 A 146 GLU HA H 1 3.78 0.02 A 146 GLU HB2 H 1 2.06 0.02 A 146 GLU HGx H 1 2.19 0.02 A 146 GLU HGy H 1 2.34 0.02 A 146 GLU C C 13 177.8 0.3 A 146 GLU CA C 13 59.7 0.3 A 146 GLU CB C 13 29.8 0.3 A 146 GLU CG C 13 36.1 0.3 A 146 GLU N N 15 119.9 0.3 A 147 SER H H 1 8.66 0.02 A 147 SER HA H 1 4.19 0.02 A 147 SER HBx H 1 3.97 0.02 A 147 SER HBy H 1 3.97 0.02 A 147 SER C C 13 176.6 0.3 A 147 SER CA C 13 61.5 0.3 A 147 SER CB C 13 60.1 0.3 A 147 SER N N 15 116.7 0.3 A 148 GLU H H 1 7.94 0.02 A 148 GLU HA H 1 4.16 0.02 A 148 GLU HB2 H 1 2.29 0.02 A 148 GLU HB3 H 1 2.29 0.02 A 148 GLU HGx H 1 2.45 0.02 A 148 GLU HGy H 1 2.45 0.02 A 148 GLU C C 13 176.2 0.3 A 148 GLU CA C 13 57.6 0.3 A 148 GLU CB C 13 30.9 0.3 A 148 GLU CG C 13 37.4 0.3 A 148 GLU N N 15 120.3 0.3 A 149 MET H H 1 7.50 0.02 A 149 MET HA H 1 4.53 0.02 A 149 MET HBx H 1 1.99 0.02 A 149 MET HBy H 1 2.39 0.02 A 149 MET HGx H 1 2.14 0.02 A 149 MET HGy H 1 2.59 0.02 A 149 MET C C 13 173.0 0.3 A 149 MET CA C 13 53.4 0.3 A 149 MET CB C 13 32.9 0.3 A 149 MET CG C 13 31.1 0.3 A 149 MET N N 15 116.0 0.3 A 150 SER H H 1 7.10 0.02 A 150 SER HA H 1 4.71 0.02 A 150 SER HBx H 1 3.95 0.02 A 150 SER HBy H 1 4.17 0.02 A 150 SER C C 13 174.1 0.3 A 150 SER CA C 13 56.9 0.3 A 150 SER CB C 13 65.3 0.3 A 150 SER N N 15 112.4 0.3 A 151 HIS H H 1 9.51 0.02 A 151 HIS HA H 1 4.67 0.02 A 151 HIS HBx H 1 2.02 0.02 A 151 HIS HBy H 1 2.61 0.02 A 151 HIS HD2 H 1 6.20 0.02 A 151 HIS HE1 H 1 6.34 0.02 A 151 HIS HE2 H 1 6.34 0.02 A 151 HIS C C 13 175.9 0.3 A 151 HIS CA C 13 62.3 0.3 A 151 HIS CB C 13 31.9 0.3 A 151 HIS CD2 C 13 113.6 0.3 A 151 HIS CE1 C 13 136.6 0.3 A 151 HIS N N 15 125.7 0.3 A 152 LYS H H 1 8.38 0.02 A 152 LYS HA H 1 3.69 0.02 A 152 LYS HBx H 1 1.88 0.02 A 152 LYS HBy H 1 1.96 0.02 A 152 LYS HD2 H 1 1.70 0.02 A 152 LYS HD3 H 1 1.70 0.02 A 152 LYS HE2 H 1 2.98 0.02 A 152 LYS HE3 H 1 2.98 0.02 A 152 LYS HGx H 1 1.37 0.02 A 152 LYS HGy H 1 1.45 0.02 A 152 LYS C C 13 178.7 0.3 A 152 LYS CA C 13 59.2 0.3 A 152 LYS CB C 13 32.7 0.3 A 152 LYS CD C 13 29.5 0.3 A 152 LYS CE C 13 42.1 0.3 A 152 LYS CG C 13 24.2 0.3 A 152 LYS N N 15 115.7 0.3 A 153 GLU H H 1 7.36 0.02 A 153 GLU HA H 1 4.07 0.02 A 153 GLU HBx H 1 1.96 0.02 A 153 GLU HBy H 1 2.07 0.02 A 153 GLU HGx H 1 2.22 0.02 A 153 GLU HGy H 1 2.37 0.02 A 153 GLU C C 13 179.1 0.3 A 153 GLU CA C 13 58.5 0.3 A 153 GLU CB C 13 29.3 0.3 A 153 GLU CG C 13 36.0 0.3 A 153 GLU N N 15 117.4 0.3 A 154 LEU H H 1 7.73 0.02 A 154 LEU HA H 1 3.53 0.02 A 154 LEU HBx H 1 0.59 0.02 A 154 LEU HBy H 1 1.15 0.02 A 154 LEU HD1% H 1 0.29 0.02 A 154 LEU HD2% H 1 0.12 0.02 A 154 LEU HG H 1 1.17 0.02 A 154 LEU C C 13 178.3 0.3 A 154 LEU CA C 13 57.3 0.3 A 154 LEU CB C 13 40.5 0.3 A 154 LEU CD1 C 13 25.3 0.3 A 154 LEU CD2 C 13 22.8 0.3 A 154 LEU CG C 13 27.5 0.3 A 154 LEU N N 15 121.2 0.3 A 155 LEU H H 1 8.35 0.02 A 155 LEU HA H 1 3.41 0.02 A 155 LEU HB2 H 1 1.54 0.02 A 155 LEU HB3 H 1 1.54 0.02 A 155 LEU HD1% H 1 0.94 0.02 A 155 LEU HD2% H 1 0.94 0.02 A 155 LEU HG H 1 1.47 0.02 A 155 LEU C C 13 179.9 0.3 A 155 LEU CA C 13 57.6 0.3 A 155 LEU CB C 13 41.2 0.3 A 155 LEU CD1 C 13 23.8 0.3 A 155 LEU CD2 C 13 23.8 0.3 A 155 LEU CG C 13 25.8 0.3 A 155 LEU N N 15 118.5 0.3 A 156 ASN H H 1 7.75 0.02 A 156 ASN HA H 1 4.36 0.02 A 156 ASN HBx H 1 2.85 0.02 A 156 ASN HBy H 1 3.04 0.02 A 156 ASN C C 13 178.0 0.3 A 156 ASN CA C 13 56.3 0.3 A 156 ASN CB C 13 38.4 0.3 A 156 ASN N N 15 117.9 0.3 A 157 LYS H H 1 7.77 0.02 A 157 LYS HA H 1 4.08 0.02 A 157 LYS HBx H 1 1.82 0.02 A 157 LYS HBy H 1 1.88 0.02 A 157 LYS HD2 H 1 1.49 0.02 A 157 LYS HD3 H 1 1.49 0.02 A 157 LYS HE2 H 1 2.97 0.02 A 157 LYS HE3 H 1 2.97 0.02 A 157 LYS HG2 H 1 1.60 0.02 A 157 LYS HG3 H 1 1.60 0.02 A 157 LYS C C 13 179.8 0.3 A 157 LYS CA C 13 59.1 0.3 A 157 LYS CB C 13 32.5 0.3 A 157 LYS CD C 13 29.1 0.3 A 157 LYS CE C 13 42.5 0.3 A 157 LYS CG C 13 25.7 0.3 A 157 LYS N N 15 119.8 0.3 A 158 LEU H H 1 8.20 0.02 A 158 LEU HA H 1 3.95 0.02 A 158 LEU HBx H 1 1.54 0.02 A 158 LEU HBy H 1 1.54 0.02 A 158 LEU HD1% H 1 0.70 0.02 A 158 LEU HD2% H 1 0.16 0.02 A 158 LEU HG H 1 1.23 0.02 A 158 LEU C C 13 179.0 0.3 A 158 LEU CA C 13 57.8 0.3 A 158 LEU CB C 13 41.2 0.3 A 158 LEU CD1 C 13 24.4 0.3 A 158 LEU CD2 C 13 23.4 0.3 A 158 LEU CG C 13 26.6 0.3 A 158 LEU N N 15 120.9 0.3 A 159 GLY H H 1 8.29 0.02 A 159 GLY HAx H 1 3.68 0.02 A 159 GLY HAy H 1 3.95 0.02 A 159 GLY C C 13 176.3 0.3 A 159 GLY CA C 13 46.9 0.3 A 159 GLY N N 15 106.5 0.3 A 160 GLU H H 1 7.85 0.02 A 160 GLU HA H 1 4.07 0.02 A 160 GLU HBx H 1 1.95 0.02 A 160 GLU HBy H 1 2.06 0.02 A 160 GLU HGx H 1 2.23 0.02 A 160 GLU HGy H 1 2.34 0.02 A 160 GLU C C 13 177.8 0.3 A 160 GLU CA C 13 58.3 0.3 A 160 GLU CB C 13 30.0 0.3 A 160 GLU CG C 13 36.4 0.3 A 160 GLU N N 15 120.7 0.3 A 161 LYS H H 1 7.66 0.02 A 161 LYS HA H 1 4.07 0.02 A 161 LYS HBx H 1 1.62 0.02 A 161 LYS HBy H 1 1.93 0.02 A 161 LYS HDx H 1 1.44 0.02 A 161 LYS HDy H 1 1.62 0.02 A 161 LYS HEx H 1 2.79 0.02 A 161 LYS HEy H 1 2.93 0.02 A 161 LYS HGx H 1 0.85 0.02 A 161 LYS HGy H 1 1.07 0.02 A 161 LYS C C 13 177.6 0.3 A 161 LYS CA C 13 57.8 0.3 A 161 LYS CB C 13 33.2 0.3 A 161 LYS CD C 13 28.9 0.3 A 161 LYS CE C 13 42.1 0.3 A 161 LYS CG C 13 24.4 0.3 A 161 LYS N N 15 118.1 0.3 A 162 TYR H H 1 8.09 0.02 A 162 TYR HA H 1 4.75 0.02 A 162 TYR HBx H 1 2.87 0.02 A 162 TYR HBy H 1 3.37 0.02 A 162 TYR HDx H 1 7.35 0.02 A 162 TYR HDy H 1 7.35 0.02 A 162 TYR HE1 H 1 6.79 0.02 A 162 TYR HE2 H 1 6.79 0.02 A 162 TYR C C 13 176.0 0.3 A 162 TYR CA C 13 59.0 0.3 A 162 TYR CB C 13 39.8 0.3 A 162 TYR CD1 C 13 118.7 0.3 A 162 TYR CD2 C 13 118.7 0.3 A 162 TYR CE1 C 13 134.4 0.3 A 162 TYR CE2 C 13 134.4 0.3 A 162 TYR N N 15 115.4 0.3 A 163 GLY H H 1 8.09 0.02 A 163 GLY HAx H 1 3.96 0.02 A 163 GLY HAy H 1 4.14 0.02 A 163 GLY C C 13 173.5 0.3 A 163 GLY CA C 13 45.5 0.3 A 163 GLY N N 15 109.0 0.3 A 164 ASP H H 1 8.32 0.02 A 164 ASP HA H 1 4.64 0.02 A 164 ASP HBx H 1 2.60 0.02 A 164 ASP HBy H 1 2.69 0.02 A 164 ASP C C 13 175.3 0.3 A 164 ASP CA C 13 54.6 0.3 A 164 ASP CB C 13 41.7 0.3 A 164 ASP N N 15 120.1 0.3 A 165 HIS H H 1 7.99 0.02 A 165 HIS HA H 1 4.45 0.02 A 165 HIS HBx H 1 3.08 0.02 A 165 HIS HBy H 1 3.27 0.02 A 165 HIS HD2 H 1 7.61 0.02 A 165 HIS HE1 H 1 7.15 0.02 A 165 HIS HE2 H 1 7.17 0.02 A 165 HIS C C 13 178.9 0.3 A 165 HIS CA C 13 57.3 0.3 A 165 HIS CB C 13 30.5 0.3 A 165 HIS CD2 C 13 114.4 0.3 A 165 HIS CE1 C 13 132.2 0.3 A 165 HIS N N 15 123.2 0.3 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 1 MET HA A 124 SER HBy 1.0 0.0 6.5 2 1 A 1 MET HA A 124 SER HBx 1.0 0.0 6.5 3 2 A 120 MET H A 1 MET HBx 1.0 0.0 6.5 4 2 A 1 MET HBy A 120 MET H 1.0 0.0 6.5 5 3 A 121 VAL H A 1 MET HBx 1.0 0.0 6.5 6 3 A 1 MET HBy A 121 VAL H 1.0 0.0 6.5 7 4 A 120 MET H A 1 MET HGx 1.0 0.0 6.5 8 4 A 1 MET HGy A 120 MET H 1.0 0.0 6.5 9 5 A 121 VAL H A 1 MET HGx 1.0 0.0 6.5 10 5 A 1 MET HGy A 121 VAL H 1.0 0.0 6.5 11 6 A 4 GLY H A 3 SER HB2 1.0 0.0 5.5 12 7 A 4 GLY H A 3 SER HB3 1.0 0.0 5.5 13 8 A 4 GLY H A 3 SER HB3 1.0 0.0 5.5 14 8 A 4 GLY H A 3 SER HB2 1.0 0.0 5.5 15 9 A 4 GLY H A 124 SER HA 1.0 0.0 6.5 16 10 A 4 GLY H A 5 VAL H 1.0 0.0 6.5 17 11 A 5 VAL H A 4 GLY HAx 1.0 0.0 5.5 18 11 A 5 VAL H A 4 GLY HAy 1.0 0.0 5.5 19 12 A 5 VAL HA A 4 GLY HAx 1.0 0.0 6.5 20 12 A 4 GLY HAy A 5 VAL HA 1.0 0.0 6.5 21 13 A 4 GLY HAy A 5 VAL HG2% 1.0 0.0 6.5 22 13 A 4 GLY HAx A 5 VAL HG2% 1.0 0.0 6.5 23 13 A 5 VAL HG1% A 4 GLY HAx 1.0 0.0 6.5 24 13 A 4 GLY HAy A 5 VAL HG1% 1.0 0.0 6.5 25 14 A 5 VAL H A 125 SER HA 1.0 0.0 6.5 26 15 A 5 VAL H A 128 ALA HB% 1.0 0.0 6.5 27 16 A 5 VAL H A 5 VAL HB 1.0 0.0 5.0 28 17 A 5 VAL H A 5 VAL HG1% 1.0 0.0 6.5 29 18 A 5 VAL H A 5 VAL HG2% 1.0 0.0 6.5 30 19 A 5 VAL H A 6 MET H 1.0 0.0 6.5 31 20 A 5 VAL HA A 36 LYS H 1.0 0.0 6.5 32 21 A 5 VAL HA A 36 LYS HA 1.0 0.0 6.5 33 22 A 5 VAL HA A 6 MET H 1.0 0.0 5.0 34 23 A 5 VAL HB A 124 SER H 1.0 0.0 6.5 35 24 A 5 VAL HB A 125 SER H 1.0 0.0 6.5 36 25 A 5 VAL HB A 126 ALA H 1.0 0.0 6.5 37 26 A 5 VAL HB A 6 MET H 1.0 0.0 6.5 38 27 A 5 VAL HG1% A 125 SER H 1.0 0.0 6.5 39 28 A 5 VAL HG1% A 126 ALA H 1.0 0.0 6.5 40 29 A 5 VAL HG1% A 128 ALA HA 1.0 0.0 6.5 41 30 A 5 VAL HG1% A 128 ALA HB% 1.0 0.0 6.5 42 31 A 5 VAL HG1% A 35 ASN H 1.0 0.0 6.5 43 32 A 5 VAL HG1% A 36 LYS H 1.0 0.0 6.5 44 33 A 5 VAL HG1% A 36 LYS HA 1.0 0.0 6.5 45 34 A 5 VAL HG1% A 6 MET H 1.0 0.0 6.5 46 35 A 125 SER H A 5 VAL HG2% 1.0 0.0 6.5 47 36 A 126 ALA H A 5 VAL HG2% 1.0 0.0 6.5 48 37 A 128 ALA HB% A 5 VAL HG2% 1.0 0.0 6.5 49 38 A 35 ASN H A 5 VAL HG2% 1.0 0.0 6.5 50 39 A 36 LYS H A 5 VAL HG2% 1.0 0.0 6.5 51 40 A 36 LYS HA A 5 VAL HG2% 1.0 0.0 6.5 52 41 A 6 MET H A 5 VAL HG2% 1.0 0.0 6.5 53 42 A 6 MET H A 36 LYS HA 1.0 0.0 5.5 54 43 A 6 MET H A 36 LYS HB2 1.0 0.0 6.5 55 44 A 6 MET H A 36 LYS HB3 1.0 0.0 6.5 56 45 A 6 MET H A 36 LYS HD2 1.0 0.0 6.5 57 46 A 6 MET H A 36 LYS HD3 1.0 0.0 6.5 58 47 A 6 MET H A 36 LYS HG2 1.0 0.0 6.5 59 48 A 6 MET H A 36 LYS HG3 1.0 0.0 6.5 60 49 A 6 MET H A 37 VAL H 1.0 0.0 6.5 61 50 A 6 MET H A 6 MET HB2 1.0 0.0 6.5 62 51 A 6 MET H A 6 MET HB3 1.0 0.0 6.5 63 52 A 6 MET H A 6 MET HGx 1.0 0.0 6.5 64 53 A 6 MET H A 6 MET HGy 1.0 0.0 6.5 65 54 A 6 MET H A 6 MET HGy 1.0 0.0 5.5 66 54 A 6 MET H A 6 MET HGx 1.0 0.0 5.5 67 55 A 6 MET H A 7 VAL H 1.0 0.0 6.5 68 56 A 36 LYS HA A 6 MET HA 1.0 0.0 6.5 69 57 A 37 VAL H A 6 MET HA 1.0 0.0 6.5 70 58 A 7 VAL H A 6 MET HA 1.0 0.0 5.0 71 59 A 6 MET HB2 A 7 VAL H 1.0 0.0 6.5 72 60 A 6 MET HB3 A 7 VAL H 1.0 0.0 6.5 73 61 A 36 LYS H A 6 MET HGy 1.0 0.0 6.5 74 61 A 36 LYS H A 6 MET HGx 1.0 0.0 6.5 75 62 A 37 VAL H A 6 MET HGy 1.0 0.0 6.5 76 62 A 37 VAL H A 6 MET HGx 1.0 0.0 6.5 77 63 A 37 VAL H A 6 MET O 1.0 0.0 4.0 78 64 A 6 MET O A 37 VAL N 1.0 0.0 4.5 79 65 A 128 ALA HB% A 7 VAL H 1.0 0.0 6.5 80 66 A 7 VAL H A 132 SER HBy 1.0 0.0 6.5 81 66 A 7 VAL H A 132 SER HBx 1.0 0.0 6.5 82 67 A 7 VAL H A 7 VAL HB 1.0 0.0 6.5 83 68 A 7 VAL H A 7 VAL HG1% 1.0 0.0 6.5 84 69 A 7 VAL H A 7 VAL HG2% 1.0 0.0 6.5 85 70 A 7 VAL H A 7 VAL HG2% 1.0 0.0 6.5 86 70 A 7 VAL H A 7 VAL HG1% 1.0 0.0 6.5 87 71 A 7 VAL H A 8 ASP H 1.0 0.0 6.5 88 72 A 7 VAL HA A 37 VAL HA 1.0 0.0 6.5 89 73 A 37 VAL H A 7 VAL HA 1.0 0.0 6.5 90 74 A 7 VAL HA A 37 VAL HG1% 1.0 0.0 6.5 91 75 A 7 VAL HA A 37 VAL HG2% 1.0 0.0 6.5 92 76 A 7 VAL HA A 37 VAL HG2% 1.0 0.0 6.5 93 76 A 7 VAL HA A 37 VAL HG1% 1.0 0.0 6.5 94 77 A 8 ASP H A 7 VAL HA 1.0 0.0 5.5 95 78 A 7 VAL HB A 129 ILE H 1.0 0.0 6.5 96 79 A 7 VAL HB A 8 ASP H 1.0 0.0 6.5 97 80 A 7 VAL HG1% A 128 ALA H 1.0 0.0 6.5 98 81 A 7 VAL HG1% A 129 ILE H 1.0 0.0 6.5 99 82 A 7 VAL HG1% A 132 SER H 1.0 0.0 6.5 100 83 A 7 VAL HG1% A 8 ASP H 1.0 0.0 6.5 101 84 A 129 ILE H A 7 VAL HG2% 1.0 0.0 6.5 102 85 A 132 SER H A 7 VAL HG2% 1.0 0.0 6.5 103 86 A 8 ASP H A 7 VAL HG2% 1.0 0.0 6.5 104 87 A 10 ASP H A 7 VAL HG2% 1.0 0.0 6.5 105 87 A 7 VAL HG1% A 10 ASP H 1.0 0.0 6.5 106 88 A 128 ALA HB% A 7 VAL HG2% 1.0 0.0 6.5 107 88 A 128 ALA HB% A 7 VAL HG1% 1.0 0.0 6.5 108 89 A 12 GLN H A 7 VAL HG2% 1.0 0.0 6.5 109 89 A 7 VAL HG1% A 12 GLN H 1.0 0.0 6.5 110 90 A 8 ASP H A 7 VAL HG2% 1.0 0.0 6.5 111 90 A 7 VAL HG1% A 8 ASP H 1.0 0.0 6.5 112 91 A 8 ASP H A 10 ASP H 1.0 0.0 6.5 113 92 A 8 ASP H A 11 VAL HB 1.0 0.0 6.5 114 93 A 8 ASP H A 11 VAL HG1% 1.0 0.0 6.5 115 94 A 8 ASP H A 11 VAL HG2% 1.0 0.0 6.5 116 95 A 8 ASP H A 11 VAL HG2% 1.0 0.0 6.5 117 95 A 8 ASP H A 11 VAL HG1% 1.0 0.0 6.5 118 96 A 36 LYS HB2 A 8 ASP H 1.0 0.0 6.5 119 97 A 36 LYS HB3 A 8 ASP H 1.0 0.0 6.5 120 98 A 8 ASP H A 36 LYS HE2 1.0 0.0 6.5 121 99 A 8 ASP H A 36 LYS HE3 1.0 0.0 6.5 122 100 A 36 LYS HG2 A 8 ASP H 1.0 0.0 6.5 123 101 A 36 LYS HG3 A 8 ASP H 1.0 0.0 6.5 124 102 A 8 ASP H A 38 ILE HA 1.0 0.0 6.5 125 103 A 8 ASP H A 38 ILE HB 1.0 0.0 6.5 126 104 A 8 ASP H A 39 VAL H 1.0 0.0 6.5 127 105 A 8 ASP H A 8 ASP HBx 1.0 0.0 5.5 128 105 A 8 ASP H A 8 ASP HBy 1.0 0.0 5.5 129 106 A 10 ASP H A 8 ASP HA 1.0 0.0 6.5 130 107 A 10 ASP H A 8 ASP HBx 1.0 0.0 5.5 131 107 A 10 ASP H A 8 ASP HBy 1.0 0.0 5.5 132 108 A 38 ILE HA A 8 ASP HBx 1.0 0.0 6.5 133 108 A 38 ILE HA A 8 ASP HBy 1.0 0.0 6.5 134 109 A 8 ASP H A 37 VAL O 1.0 0.0 4.0 135 110 A 37 VAL O A 8 ASP N 1.0 0.0 4.5 136 111 A 9 PRO HA A 11 VAL H 1.0 0.0 6.5 137 112 A 12 GLN H A 9 PRO HA 1.0 0.0 6.5 138 113 A 9 PRO HA A 13 THR H 1.0 0.0 6.5 139 114 A 10 ASP H A 9 PRO HBy 1.0 0.0 6.5 140 114 A 10 ASP H A 9 PRO HBx 1.0 0.0 6.5 141 115 A 10 ASP H A 10 ASP HBx 1.0 0.0 5.5 142 116 A 10 ASP H A 10 ASP HBy 1.0 0.0 6.5 143 117 A 10 ASP H A 10 ASP HBy 1.0 0.0 5.5 144 117 A 10 ASP H A 10 ASP HBx 1.0 0.0 5.5 145 118 A 10 ASP H A 11 VAL H 1.0 0.0 5.5 146 119 A 10 ASP H A 12 GLN H 1.0 0.0 6.5 147 120 A 10 ASP H A 39 VAL HB 1.0 0.0 6.5 148 121 A 10 ASP H A 39 VAL HG1% 1.0 0.0 6.5 149 122 A 10 ASP H A 39 VAL HG2% 1.0 0.0 6.5 150 122 A 10 ASP H A 39 VAL HG1% 1.0 0.0 6.5 151 123 A 12 GLN H A 10 ASP HA 1.0 0.0 6.5 152 124 A 13 THR H A 10 ASP HA 1.0 0.0 6.5 153 125 A 10 ASP HA A 13 THR HA 1.0 0.0 6.5 154 126 A 10 ASP HA A 13 THR HB 1.0 0.0 5.5 155 127 A 10 ASP HA A 13 THR HG2% 1.0 0.0 6.5 156 128 A 10 ASP HA A 14 SER H 1.0 0.0 6.5 157 129 A 10 ASP HA A 39 VAL HG2% 1.0 0.0 6.5 158 129 A 39 VAL HG1% A 10 ASP HA 1.0 0.0 6.5 159 130 A 11 VAL H A 10 ASP HBx 1.0 0.0 6.5 160 131 A 12 GLN H A 10 ASP HBx 1.0 0.0 6.5 161 132 A 13 THR H A 10 ASP HBx 1.0 0.0 6.5 162 133 A 10 ASP HBx A 13 THR HB 1.0 0.0 6.5 163 134 A 10 ASP HBx A 14 SER H 1.0 0.0 6.5 164 135 A 10 ASP HBx A 39 VAL HG1% 1.0 0.0 6.5 165 136 A 10 ASP HBx A 39 VAL HG2% 1.0 0.0 6.5 166 137 A 11 VAL H A 10 ASP HBy 1.0 0.0 6.5 167 138 A 12 GLN H A 10 ASP HBy 1.0 0.0 6.5 168 139 A 13 THR H A 10 ASP HBy 1.0 0.0 6.5 169 140 A 13 THR HB A 10 ASP HBy 1.0 0.0 6.5 170 141 A 14 SER H A 10 ASP HBy 1.0 0.0 6.5 171 142 A 39 VAL HG1% A 10 ASP HBy 1.0 0.0 6.5 172 143 A 10 ASP HBy A 39 VAL HG2% 1.0 0.0 6.5 173 144 A 11 VAL H A 10 ASP HBy 1.0 0.0 5.5 174 144 A 11 VAL H A 10 ASP HBx 1.0 0.0 5.5 175 145 A 12 GLN H A 10 ASP HBy 1.0 0.0 6.5 176 145 A 12 GLN H A 10 ASP HBx 1.0 0.0 6.5 177 146 A 13 THR H A 10 ASP HBy 1.0 0.0 6.5 178 146 A 13 THR H A 10 ASP HBx 1.0 0.0 6.5 179 147 A 13 THR HA A 10 ASP HBy 1.0 0.0 6.5 180 147 A 10 ASP HBx A 13 THR HA 1.0 0.0 6.5 181 148 A 13 THR HB A 10 ASP HBy 1.0 0.0 6.5 182 148 A 10 ASP HBx A 13 THR HB 1.0 0.0 6.5 183 149 A 13 THR HG2% A 10 ASP HBy 1.0 0.0 6.5 184 149 A 10 ASP HBx A 13 THR HG2% 1.0 0.0 6.5 185 150 A 10 ASP HBx A 39 VAL HG2% 1.0 0.0 6.5 186 150 A 10 ASP HBy A 39 VAL HG2% 1.0 0.0 6.5 187 150 A 39 VAL HG1% A 10 ASP HBy 1.0 0.0 6.5 188 150 A 10 ASP HBx A 39 VAL HG1% 1.0 0.0 6.5 189 151 A 13 THR H A 9 PRO O 1.0 0.0 4.0 190 152 A 9 PRO O A 13 THR N 1.0 0.0 4.5 191 153 A 14 SER H A 10 ASP O 1.0 0.0 4.0 192 154 A 10 ASP O A 14 SER N 1.0 0.0 4.5 193 155 A 11 VAL O A 15 PHE H 1.0 0.0 4.0 194 156 A 11 VAL O A 15 PHE N 1.0 0.0 4.5 195 157 A 11 VAL HB A 11 VAL H 1.0 0.0 6.5 196 158 A 11 VAL HG1% A 11 VAL H 1.0 0.0 6.5 197 159 A 11 VAL H A 11 VAL HG2% 1.0 0.0 6.5 198 160 A 11 VAL H A 11 VAL HG2% 1.0 0.0 6.5 199 160 A 11 VAL HG1% A 11 VAL H 1.0 0.0 6.5 200 161 A 12 GLN H A 11 VAL H 1.0 0.0 5.5 201 162 A 11 VAL H A 13 THR H 1.0 0.0 6.5 202 163 A 11 VAL H A 39 VAL HA 1.0 0.0 6.5 203 164 A 11 VAL H A 39 VAL HB 1.0 0.0 6.5 204 165 A 11 VAL H A 39 VAL HG1% 1.0 0.0 6.5 205 166 A 11 VAL H A 39 VAL HG2% 1.0 0.0 6.5 206 167 A 11 VAL H A 39 VAL HG2% 1.0 0.0 6.5 207 167 A 11 VAL H A 39 VAL HG1% 1.0 0.0 6.5 208 168 A 11 VAL HA A 129 ILE HD1% 1.0 0.0 6.5 209 169 A 11 VAL HA A 129 ILE HG1y 1.0 0.0 6.5 210 169 A 11 VAL HA A 129 ILE HG1x 1.0 0.0 6.5 211 170 A 13 THR H A 11 VAL HA 1.0 0.0 6.5 212 171 A 14 SER H A 11 VAL HA 1.0 0.0 6.5 213 172 A 11 VAL HA A 14 SER HA 1.0 0.0 6.5 214 173 A 11 VAL HA A 14 SER HBy 1.0 0.0 6.5 215 173 A 11 VAL HA A 14 SER HBx 1.0 0.0 6.5 216 174 A 15 PHE H A 11 VAL HA 1.0 0.0 6.5 217 175 A 11 VAL HA A 28 ILE HG2% 1.0 0.0 6.5 218 176 A 11 VAL HA A 39 VAL HG2% 1.0 0.0 6.5 219 176 A 39 VAL HG1% A 11 VAL HA 1.0 0.0 6.5 220 177 A 11 VAL HB A 129 ILE HD1% 1.0 0.0 6.5 221 178 A 11 VAL HB A 129 ILE HG1y 1.0 0.0 6.5 222 178 A 11 VAL HB A 129 ILE HG1x 1.0 0.0 6.5 223 179 A 12 GLN H A 11 VAL HB 1.0 0.0 6.5 224 180 A 11 VAL HB A 13 THR H 1.0 0.0 6.5 225 181 A 11 VAL HB A 14 SER H 1.0 0.0 6.5 226 182 A 11 VAL HB A 15 PHE H 1.0 0.0 6.5 227 183 A 12 GLN H A 11 VAL HG1% 1.0 0.0 6.5 228 184 A 11 VAL HG1% A 13 THR H 1.0 0.0 6.5 229 185 A 11 VAL HG1% A 14 SER H 1.0 0.0 6.5 230 186 A 11 VAL HG1% A 15 PHE H 1.0 0.0 6.5 231 187 A 12 GLN H A 11 VAL HG2% 1.0 0.0 6.5 232 188 A 13 THR H A 11 VAL HG2% 1.0 0.0 6.5 233 189 A 14 SER H A 11 VAL HG2% 1.0 0.0 6.5 234 190 A 15 PHE H A 11 VAL HG2% 1.0 0.0 6.5 235 191 A 129 ILE HA A 11 VAL HG2% 1.0 0.0 6.5 236 191 A 11 VAL HG1% A 129 ILE HA 1.0 0.0 6.5 237 192 A 129 ILE HD1% A 11 VAL HG2% 1.0 0.0 6.5 238 192 A 11 VAL HG1% A 129 ILE HD1% 1.0 0.0 6.5 239 193 A 11 VAL HG1% A 129 ILE HG1y 1.0 0.0 6.5 240 193 A 11 VAL HG2% A 129 ILE HG1y 1.0 0.0 6.5 241 193 A 129 ILE HG1x A 11 VAL HG2% 1.0 0.0 6.5 242 193 A 11 VAL HG1% A 129 ILE HG1x 1.0 0.0 6.5 243 194 A 12 GLN H A 11 VAL HG2% 1.0 0.0 6.5 244 194 A 12 GLN H A 11 VAL HG1% 1.0 0.0 6.5 245 195 A 11 VAL HG2% A 133 LEU HD2% 1.0 0.0 6.5 246 195 A 11 VAL HG1% A 133 LEU HD2% 1.0 0.0 6.5 247 195 A 133 LEU HD1% A 11 VAL HG2% 1.0 0.0 6.5 248 195 A 11 VAL HG1% A 133 LEU HD1% 1.0 0.0 6.5 249 196 A 13 THR H A 11 VAL HG2% 1.0 0.0 6.5 250 196 A 11 VAL HG1% A 13 THR H 1.0 0.0 6.5 251 197 A 14 SER H A 11 VAL HG2% 1.0 0.0 6.5 252 197 A 11 VAL HG1% A 14 SER H 1.0 0.0 6.5 253 198 A 11 VAL HG1% A 14 SER HBy 1.0 0.0 6.5 254 198 A 11 VAL HG2% A 14 SER HBy 1.0 0.0 6.5 255 198 A 14 SER HBx A 11 VAL HG2% 1.0 0.0 6.5 256 198 A 11 VAL HG1% A 14 SER HBx 1.0 0.0 6.5 257 199 A 11 VAL HG1% A 39 VAL HG2% 1.0 0.0 6.5 258 199 A 11 VAL HG2% A 39 VAL HG2% 1.0 0.0 6.5 259 199 A 39 VAL HG1% A 11 VAL HG2% 1.0 0.0 6.5 260 199 A 11 VAL HG1% A 39 VAL HG1% 1.0 0.0 6.5 261 200 A 12 GLN H A 12 GLN HB2 1.0 0.0 5.5 262 201 A 12 GLN H A 12 GLN HB3 1.0 0.0 5.5 263 202 A 12 GLN H A 12 GLN HG2 1.0 0.0 6.5 264 203 A 12 GLN H A 12 GLN HG3 1.0 0.0 6.5 265 204 A 12 GLN H A 132 SER HBy 1.0 0.0 6.5 266 204 A 132 SER HBx A 12 GLN H 1.0 0.0 6.5 267 205 A 12 GLN H A 133 LEU HD1% 1.0 0.0 6.5 268 206 A 12 GLN H A 133 LEU HD2% 1.0 0.0 6.5 269 207 A 12 GLN H A 13 THR H 1.0 0.0 5.5 270 208 A 12 GLN H A 14 SER H 1.0 0.0 6.5 271 209 A 133 LEU HD1% A 12 GLN HA 1.0 0.0 6.5 272 210 A 12 GLN HA A 133 LEU HD2% 1.0 0.0 6.5 273 211 A 13 THR H A 12 GLN HA 1.0 0.0 6.5 274 212 A 14 SER H A 12 GLN HA 1.0 0.0 6.5 275 213 A 15 PHE H A 12 GLN HA 1.0 0.0 6.5 276 214 A 12 GLN HA A 15 PHE HB2 1.0 0.0 6.5 277 215 A 12 GLN HA A 15 PHE HB3 1.0 0.0 6.5 278 216 A 12 GLN HA A 16 GLN H 1.0 0.0 6.5 279 217 A 133 LEU HD1% A 12 GLN HB2 1.0 0.0 6.5 280 218 A 13 THR H A 12 GLN HB2 1.0 0.0 5.5 281 219 A 14 SER H A 12 GLN HB2 1.0 0.0 6.5 282 220 A 15 PHE H A 12 GLN HB2 1.0 0.0 6.5 283 221 A 133 LEU HD1% A 12 GLN HB3 1.0 0.0 6.5 284 222 A 13 THR H A 12 GLN HB3 1.0 0.0 5.5 285 223 A 14 SER H A 12 GLN HB3 1.0 0.0 6.5 286 224 A 15 PHE H A 12 GLN HB3 1.0 0.0 6.5 287 225 A 129 ILE HD1% A 12 GLN HG2 1.0 0.0 6.5 288 226 A 132 SER H A 12 GLN HG2 1.0 0.0 6.5 289 227 A 133 LEU HG A 12 GLN HG2 1.0 0.0 6.5 290 228 A 133 LEU HD1% A 12 GLN HG2 1.0 0.0 6.5 291 229 A 12 GLN HG2 A 133 LEU HD2% 1.0 0.0 6.5 292 230 A 13 THR H A 12 GLN HG2 1.0 0.0 6.5 293 231 A 15 PHE HB2 A 12 GLN HG2 1.0 0.0 6.5 294 232 A 12 GLN HG2 A 15 PHE HB3 1.0 0.0 6.5 295 233 A 129 ILE HD1% A 12 GLN HG3 1.0 0.0 6.5 296 234 A 132 SER H A 12 GLN HG3 1.0 0.0 6.5 297 235 A 133 LEU HG A 12 GLN HG3 1.0 0.0 6.5 298 236 A 133 LEU HD1% A 12 GLN HG3 1.0 0.0 6.5 299 237 A 12 GLN HG3 A 133 LEU HD2% 1.0 0.0 6.5 300 238 A 13 THR H A 12 GLN HG3 1.0 0.0 6.5 301 239 A 15 PHE HB2 A 12 GLN HG3 1.0 0.0 6.5 302 240 A 12 GLN HG3 A 15 PHE HB3 1.0 0.0 6.5 303 241 A 12 GLN HB2 A 15 PHE HB3 1.0 0.0 6.5 304 241 A 12 GLN HB3 A 15 PHE HB3 1.0 0.0 6.5 305 241 A 15 PHE HB2 A 12 GLN HB3 1.0 0.0 6.5 306 241 A 12 GLN HB2 A 15 PHE HB2 1.0 0.0 6.5 307 242 A 132 SER HA A 12 GLN HG2 1.0 0.0 6.5 308 242 A 12 GLN HG3 A 132 SER HA 1.0 0.0 6.5 309 243 A 12 GLN HG2 A 132 SER HBy 1.0 0.0 5.5 310 243 A 12 GLN HG3 A 132 SER HBy 1.0 0.0 5.5 311 243 A 132 SER HBx A 12 GLN HG2 1.0 0.0 5.5 312 243 A 132 SER HBx A 12 GLN HG3 1.0 0.0 5.5 313 244 A 13 THR H A 13 THR HA 1.0 0.0 5.0 314 245 A 13 THR H A 13 THR HB 1.0 0.0 5.5 315 246 A 13 THR H A 13 THR HG2% 1.0 0.0 6.5 316 247 A 13 THR H A 14 SER H 1.0 0.0 5.5 317 248 A 13 THR HA A 14 SER H 1.0 0.0 6.5 318 249 A 13 THR HA A 16 GLN H 1.0 0.0 6.5 319 250 A 13 THR HA A 16 GLN HBx 1.0 0.0 5.5 320 251 A 13 THR HA A 16 GLN HBy 1.0 0.0 6.5 321 252 A 13 THR HA A 16 GLN HG2 1.0 0.0 6.5 322 253 A 13 THR HA A 16 GLN HG3 1.0 0.0 6.5 323 254 A 13 THR HA A 17 LYS H 1.0 0.0 6.5 324 255 A 13 THR HB A 14 SER H 1.0 0.0 6.5 325 256 A 13 THR HB A 15 PHE H 1.0 0.0 6.5 326 257 A 13 THR HB A 16 GLN H 1.0 0.0 6.5 327 258 A 13 THR HB A 16 GLN HBy 1.0 0.0 6.5 328 258 A 13 THR HB A 16 GLN HBx 1.0 0.0 6.5 329 259 A 13 THR HB A 17 LYS H 1.0 0.0 6.5 330 260 A 13 THR HG2% A 14 SER H 1.0 0.0 6.5 331 261 A 13 THR HG2% A 15 PHE H 1.0 0.0 6.5 332 262 A 13 THR HG2% A 16 GLN H 1.0 0.0 6.5 333 263 A 13 THR HG2% A 16 GLN HBx 1.0 0.0 6.5 334 264 A 13 THR HG2% A 16 GLN HBy 1.0 0.0 6.5 335 265 A 13 THR HG2% A 16 GLN HBy 1.0 0.0 6.5 336 265 A 13 THR HG2% A 16 GLN HBx 1.0 0.0 6.5 337 266 A 13 THR HG2% A 17 LYS H 1.0 0.0 6.5 338 267 A 14 SER H A 14 SER HBy 1.0 0.0 5.0 339 267 A 14 SER H A 14 SER HBx 1.0 0.0 5.0 340 268 A 14 SER H A 15 PHE H 1.0 0.0 6.5 341 269 A 14 SER H A 16 GLN H 1.0 0.0 6.5 342 270 A 14 SER H A 28 ILE HD1% 1.0 0.0 6.5 343 271 A 14 SER H A 39 VAL HG2% 1.0 0.0 6.5 344 271 A 39 VAL HG1% A 14 SER H 1.0 0.0 6.5 345 272 A 14 SER HA A 16 GLN H 1.0 0.0 6.5 346 273 A 14 SER HA A 17 LYS H 1.0 0.0 6.5 347 274 A 14 SER HA A 18 LEU H 1.0 0.0 6.5 348 275 A 14 SER HA A 28 ILE HD1% 1.0 0.0 6.5 349 276 A 15 PHE H A 14 SER HBx 1.0 0.0 6.5 350 277 A 14 SER HBx A 42 ALA HB% 1.0 0.0 6.5 351 278 A 15 PHE H A 14 SER HBy 1.0 0.0 6.5 352 279 A 42 ALA HB% A 14 SER HBy 1.0 0.0 6.5 353 280 A 15 PHE H A 14 SER HBy 1.0 0.0 6.5 354 280 A 15 PHE H A 14 SER HBx 1.0 0.0 6.5 355 281 A 16 GLN H A 14 SER HBy 1.0 0.0 6.5 356 281 A 14 SER HBx A 16 GLN H 1.0 0.0 6.5 357 282 A 17 LYS H A 14 SER HBy 1.0 0.0 6.5 358 282 A 14 SER HBx A 17 LYS H 1.0 0.0 6.5 359 283 A 18 LEU H A 14 SER HBy 1.0 0.0 6.5 360 283 A 14 SER HBx A 18 LEU H 1.0 0.0 6.5 361 284 A 28 ILE HD1% A 14 SER HBy 1.0 0.0 6.5 362 284 A 14 SER HBx A 28 ILE HD1% 1.0 0.0 6.5 363 285 A 41 ALA H A 14 SER HBy 1.0 0.0 6.5 364 285 A 14 SER HBx A 41 ALA H 1.0 0.0 6.5 365 286 A 15 PHE H A 133 LEU HD1% 1.0 0.0 6.5 366 287 A 15 PHE H A 133 LEU HD2% 1.0 0.0 6.5 367 288 A 15 PHE H A 15 PHE HB2 1.0 0.0 6.5 368 289 A 15 PHE H A 15 PHE HB3 1.0 0.0 6.5 369 290 A 15 PHE H A 15 PHE HDx 1.0 0.0 6.5 370 291 A 15 PHE H A 15 PHE HDy 1.0 0.0 6.5 371 292 A 15 PHE H A 15 PHE HEx 1.0 0.0 6.5 372 293 A 15 PHE H A 15 PHE HEy 1.0 0.0 6.5 373 294 A 15 PHE H A 16 GLN H 1.0 0.0 6.5 374 295 A 15 PHE H A 17 LYS H 1.0 0.0 6.5 375 296 A 15 PHE H A 28 ILE HD1% 1.0 0.0 6.5 376 297 A 15 PHE H A 28 ILE HG2% 1.0 0.0 6.5 377 298 A 15 PHE HA A 133 LEU HD2% 1.0 0.0 6.5 378 298 A 133 LEU HD1% A 15 PHE HA 1.0 0.0 6.5 379 299 A 18 LEU H A 15 PHE HA 1.0 0.0 6.5 380 300 A 15 PHE HA A 19 SER H 1.0 0.0 6.5 381 301 A 133 LEU HD1% A 15 PHE HB2 1.0 0.0 6.5 382 302 A 15 PHE HB2 A 133 LEU HD2% 1.0 0.0 6.5 383 303 A 16 GLN H A 15 PHE HB2 1.0 0.0 6.5 384 304 A 15 PHE HB2 A 17 LYS H 1.0 0.0 6.5 385 305 A 15 PHE HB2 A 19 SER H 1.0 0.0 6.5 386 306 A 133 LEU HD1% A 15 PHE HB3 1.0 0.0 6.5 387 307 A 15 PHE HB3 A 133 LEU HD2% 1.0 0.0 6.5 388 308 A 16 GLN H A 15 PHE HB3 1.0 0.0 6.5 389 309 A 17 LYS H A 15 PHE HB3 1.0 0.0 6.5 390 310 A 19 SER H A 15 PHE HB3 1.0 0.0 6.5 391 311 A 15 PHE HEy A 84 VAL H 1.0 0.0 6.5 392 312 A 133 LEU HG A 15 PHE HB3 1.0 0.0 6.5 393 312 A 133 LEU HG A 15 PHE HB2 1.0 0.0 6.5 394 313 A 133 LEU HD1% A 16 GLN H 1.0 0.0 6.5 395 314 A 16 GLN H A 133 LEU HD2% 1.0 0.0 6.5 396 315 A 16 GLN H A 16 GLN HBx 1.0 0.0 6.5 397 316 A 16 GLN H A 16 GLN HBy 1.0 0.0 6.5 398 317 A 16 GLN H A 16 GLN HG2 1.0 0.0 6.5 399 318 A 16 GLN H A 16 GLN HG3 1.0 0.0 6.5 400 319 A 16 GLN H A 16 GLN HBy 1.0 0.0 5.5 401 319 A 16 GLN H A 16 GLN HBx 1.0 0.0 5.5 402 320 A 16 GLN H A 17 LYS H 1.0 0.0 6.5 403 321 A 18 LEU H A 16 GLN HA 1.0 0.0 6.5 404 322 A 19 SER H A 16 GLN HA 1.0 0.0 6.5 405 323 A 16 GLN HA A 19 SER HBy 1.0 0.0 6.5 406 323 A 16 GLN HA A 19 SER HBx 1.0 0.0 6.5 407 324 A 16 GLN HA A 20 GLU H 1.0 0.0 6.5 408 325 A 17 LYS H A 16 GLN HBx 1.0 0.0 6.5 409 326 A 16 GLN HBx A 18 LEU H 1.0 0.0 6.5 410 327 A 16 GLN HBx A 19 SER H 1.0 0.0 6.5 411 328 A 16 GLN HBx A 20 GLU H 1.0 0.0 6.5 412 329 A 17 LYS H A 16 GLN HBy 1.0 0.0 6.5 413 330 A 18 LEU H A 16 GLN HBy 1.0 0.0 6.5 414 331 A 19 SER H A 16 GLN HBy 1.0 0.0 6.5 415 332 A 20 GLU H A 16 GLN HBy 1.0 0.0 6.5 416 333 A 16 GLN HG2 A 17 LYS H 1.0 0.0 6.5 417 334 A 16 GLN HG2 A 19 SER H 1.0 0.0 6.5 418 335 A 16 GLN HG3 A 17 LYS H 1.0 0.0 6.5 419 336 A 17 LYS H A 16 GLN HBy 1.0 0.0 5.5 420 336 A 17 LYS H A 16 GLN HBx 1.0 0.0 5.5 421 337 A 18 LEU H A 16 GLN HBy 1.0 0.0 6.5 422 337 A 16 GLN HBx A 18 LEU H 1.0 0.0 6.5 423 338 A 19 SER H A 16 GLN HBy 1.0 0.0 6.5 424 338 A 16 GLN HBx A 19 SER H 1.0 0.0 6.5 425 339 A 20 GLU H A 16 GLN HBy 1.0 0.0 6.5 426 339 A 16 GLN HBx A 20 GLU H 1.0 0.0 6.5 427 340 A 17 LYS H A 17 LYS HD2 1.0 0.0 6.5 428 341 A 17 LYS H A 17 LYS HD3 1.0 0.0 6.5 429 342 A 17 LYS H A 17 LYS HE2 1.0 0.0 6.5 430 343 A 17 LYS H A 17 LYS HE3 1.0 0.0 6.5 431 344 A 17 LYS H A 17 LYS HG2 1.0 0.0 6.5 432 345 A 17 LYS H A 17 LYS HG3 1.0 0.0 6.5 433 346 A 17 LYS H A 18 LEU H 1.0 0.0 6.5 434 347 A 17 LYS H A 19 SER H 1.0 0.0 6.5 435 348 A 19 SER H A 17 LYS HA 1.0 0.0 6.5 436 349 A 20 GLU H A 17 LYS HA 1.0 0.0 6.5 437 350 A 18 LEU H A 17 LYS HB2 1.0 0.0 6.5 438 351 A 18 LEU H A 17 LYS HB3 1.0 0.0 6.5 439 352 A 18 LEU H A 17 LYS HD2 1.0 0.0 6.5 440 353 A 18 LEU H A 17 LYS HD3 1.0 0.0 6.5 441 354 A 18 LEU H A 17 LYS HE2 1.0 0.0 6.5 442 355 A 18 LEU H A 17 LYS HE3 1.0 0.0 6.5 443 356 A 18 LEU H A 17 LYS HG2 1.0 0.0 6.5 444 357 A 18 LEU H A 17 LYS HG3 1.0 0.0 6.5 445 358 A 18 LEU H A 18 LEU HG 1.0 0.0 6.5 446 359 A 18 LEU H A 18 LEU HD1% 1.0 0.0 6.5 447 360 A 18 LEU H A 18 LEU HD2% 1.0 0.0 6.5 448 361 A 18 LEU H A 19 SER H 1.0 0.0 6.5 449 362 A 18 LEU H A 20 GLU H 1.0 0.0 6.5 450 363 A 28 ILE HG2% A 18 LEU H 1.0 0.0 6.5 451 364 A 19 SER H A 18 LEU HB2 1.0 0.0 6.5 452 365 A 20 GLU H A 18 LEU HB2 1.0 0.0 6.5 453 366 A 21 GLY H A 18 LEU HB2 1.0 0.0 6.5 454 367 A 22 ARG H A 18 LEU HB2 1.0 0.0 6.5 455 368 A 25 TYR H A 18 LEU HB2 1.0 0.0 6.5 456 369 A 84 VAL HG1% A 18 LEU HB2 1.0 0.0 6.5 457 370 A 19 SER H A 18 LEU HB3 1.0 0.0 6.5 458 371 A 20 GLU H A 18 LEU HB3 1.0 0.0 6.5 459 372 A 21 GLY H A 18 LEU HB3 1.0 0.0 6.5 460 373 A 22 ARG H A 18 LEU HB3 1.0 0.0 6.5 461 374 A 25 TYR H A 18 LEU HB3 1.0 0.0 6.5 462 375 A 18 LEU HB3 A 84 VAL HG1% 1.0 0.0 6.5 463 376 A 19 SER H A 18 LEU HG 1.0 0.0 6.5 464 377 A 20 GLU H A 18 LEU HG 1.0 0.0 6.5 465 378 A 18 LEU HG A 21 GLY H 1.0 0.0 6.5 466 379 A 18 LEU HG A 25 TYR H 1.0 0.0 6.5 467 380 A 18 LEU HG A 86 ASP H 1.0 0.0 6.5 468 381 A 18 LEU HB2 A 84 VAL HG2% 1.0 0.0 6.5 469 381 A 84 VAL HG1% A 18 LEU HB2 1.0 0.0 6.5 470 381 A 18 LEU HB3 A 84 VAL HG1% 1.0 0.0 6.5 471 381 A 18 LEU HB3 A 84 VAL HG2% 1.0 0.0 6.5 472 382 A 19 SER HA A 18 LEU HD1% 1.0 0.0 6.5 473 383 A 20 GLU H A 18 LEU HD1% 1.0 0.0 6.5 474 384 A 26 ARG H A 18 LEU HD1% 1.0 0.0 6.5 475 385 A 28 ILE HG2% A 18 LEU HD1% 1.0 0.0 6.5 476 386 A 84 VAL HB A 18 LEU HD1% 1.0 0.0 6.5 477 387 A 86 ASP H A 18 LEU HD1% 1.0 0.0 6.5 478 388 A 86 ASP HA A 18 LEU HD1% 1.0 0.0 6.5 479 389 A 18 LEU HD1% A 86 ASP HBx 1.0 0.0 6.5 480 390 A 18 LEU HD1% A 86 ASP HBy 1.0 0.0 6.5 481 391 A 87 PHE H A 18 LEU HD1% 1.0 0.0 6.5 482 392 A 20 GLU H A 18 LEU HD2% 1.0 0.0 6.5 483 393 A 28 ILE HG2% A 18 LEU HD2% 1.0 0.0 6.5 484 394 A 84 VAL HB A 18 LEU HD2% 1.0 0.0 6.5 485 395 A 86 ASP H A 18 LEU HD2% 1.0 0.0 6.5 486 396 A 86 ASP HA A 18 LEU HD2% 1.0 0.0 6.5 487 397 A 86 ASP HBx A 18 LEU HD2% 1.0 0.0 6.5 488 398 A 18 LEU HD2% A 86 ASP HBy 1.0 0.0 6.5 489 399 A 19 SER H A 18 LEU HD2% 1.0 0.0 6.5 490 399 A 19 SER H A 18 LEU HD1% 1.0 0.0 6.5 491 400 A 18 LEU HD2% A 19 SER HBy 1.0 0.0 6.5 492 400 A 18 LEU HD1% A 19 SER HBy 1.0 0.0 6.5 493 400 A 19 SER HBx A 18 LEU HD2% 1.0 0.0 6.5 494 400 A 19 SER HBx A 18 LEU HD1% 1.0 0.0 6.5 495 401 A 25 TYR H A 18 LEU HD2% 1.0 0.0 6.5 496 401 A 25 TYR H A 18 LEU HD1% 1.0 0.0 6.5 497 402 A 27 TYR HA A 18 LEU HD2% 1.0 0.0 6.5 498 402 A 18 LEU HD1% A 27 TYR HA 1.0 0.0 6.5 499 403 A 28 ILE H A 18 LEU HD2% 1.0 0.0 6.5 500 403 A 18 LEU HD1% A 28 ILE H 1.0 0.0 6.5 501 404 A 18 LEU HD2% A 28 ILE HG13 1.0 0.0 6.5 502 404 A 18 LEU HD1% A 28 ILE HG13 1.0 0.0 6.5 503 404 A 28 ILE HG12 A 18 LEU HD2% 1.0 0.0 6.5 504 404 A 18 LEU HD1% A 28 ILE HG12 1.0 0.0 6.5 505 405 A 18 LEU HD1% A 84 VAL HG2% 1.0 0.0 6.5 506 405 A 18 LEU HD2% A 84 VAL HG2% 1.0 0.0 6.5 507 405 A 84 VAL HG1% A 18 LEU HD2% 1.0 0.0 6.5 508 405 A 84 VAL HG1% A 18 LEU HD1% 1.0 0.0 6.5 509 406 A 18 LEU HD2% A 86 ASP HBy 1.0 0.0 6.5 510 406 A 18 LEU HD1% A 86 ASP HBy 1.0 0.0 6.5 511 406 A 86 ASP HBx A 18 LEU HD2% 1.0 0.0 6.5 512 406 A 18 LEU HD1% A 86 ASP HBx 1.0 0.0 6.5 513 407 A 19 SER H A 19 SER HBx 1.0 0.0 6.5 514 408 A 19 SER H A 19 SER HBy 1.0 0.0 6.5 515 409 A 19 SER H A 20 GLU H 1.0 0.0 6.5 516 410 A 28 ILE HG2% A 19 SER H 1.0 0.0 6.5 517 411 A 19 SER HBx A 20 GLU H 1.0 0.0 6.5 518 412 A 20 GLU H A 19 SER HBy 1.0 0.0 6.5 519 413 A 20 GLU H A 19 SER HBy 1.0 0.0 6.5 520 413 A 19 SER HBx A 20 GLU H 1.0 0.0 6.5 521 414 A 20 GLU H A 20 GLU HG2 1.0 0.0 6.5 522 415 A 20 GLU H A 20 GLU HG3 1.0 0.0 6.5 523 416 A 20 GLU H A 21 GLY H 1.0 0.0 6.5 524 417 A 21 GLY H A 20 GLU HA 1.0 0.0 5.5 525 418 A 21 GLY H A 20 GLU HB2 1.0 0.0 6.5 526 419 A 21 GLY H A 20 GLU HB3 1.0 0.0 6.5 527 420 A 21 GLY H A 20 GLU HG2 1.0 0.0 6.5 528 421 A 21 GLY H A 20 GLU HG3 1.0 0.0 6.5 529 422 A 21 GLY H A 22 ARG H 1.0 0.0 6.5 530 423 A 22 ARG H A 22 ARG HD2 1.0 0.0 6.5 531 424 A 22 ARG H A 22 ARG HD3 1.0 0.0 6.5 532 425 A 22 ARG H A 22 ARG HG2 1.0 0.0 6.5 533 426 A 22 ARG H A 22 ARG HG3 1.0 0.0 6.5 534 427 A 22 ARG H A 23 LYS H 1.0 0.0 6.5 535 428 A 23 LYS H A 22 ARG HA 1.0 0.0 6.5 536 429 A 22 ARG HA A 24 GLU H 1.0 0.0 6.5 537 430 A 23 LYS H A 22 ARG HB2 1.0 0.0 6.5 538 431 A 23 LYS H A 22 ARG HB3 1.0 0.0 6.5 539 432 A 22 ARG HD2 A 23 LYS H 1.0 0.0 6.5 540 433 A 22 ARG HD3 A 23 LYS H 1.0 0.0 6.5 541 434 A 22 ARG HG2 A 23 LYS H 1.0 0.0 6.5 542 435 A 22 ARG HG3 A 23 LYS H 1.0 0.0 6.5 543 436 A 23 LYS H A 23 LYS HA 1.0 0.0 5.5 544 437 A 23 LYS H A 23 LYS HB2 1.0 0.0 6.5 545 438 A 23 LYS H A 23 LYS HB3 1.0 0.0 6.5 546 439 A 23 LYS H A 23 LYS HD2 1.0 0.0 6.5 547 440 A 23 LYS H A 23 LYS HD3 1.0 0.0 6.5 548 441 A 23 LYS H A 23 LYS HG2 1.0 0.0 6.5 549 442 A 23 LYS H A 23 LYS HG3 1.0 0.0 6.5 550 443 A 23 LYS H A 23 LYS HEx 1.0 0.0 6.5 551 443 A 23 LYS H A 23 LYS HEy 1.0 0.0 6.5 552 444 A 23 LYS H A 24 GLU H 1.0 0.0 6.5 553 445 A 24 GLU H A 23 LYS HA 1.0 0.0 5.5 554 446 A 24 GLU H A 23 LYS HB2 1.0 0.0 6.5 555 447 A 24 GLU H A 23 LYS HB3 1.0 0.0 6.5 556 448 A 24 GLU H A 23 LYS HG2 1.0 0.0 6.5 557 449 A 24 GLU H A 23 LYS HG3 1.0 0.0 6.5 558 450 A 24 GLU H A 23 LYS HEx 1.0 0.0 6.5 559 450 A 24 GLU H A 23 LYS HEy 1.0 0.0 6.5 560 451 A 23 LYS HG2 A 86 ASP HBy 1.0 0.0 6.5 561 451 A 23 LYS HG3 A 86 ASP HBy 1.0 0.0 6.5 562 451 A 86 ASP HBx A 23 LYS HG2 1.0 0.0 6.5 563 451 A 86 ASP HBx A 23 LYS HG3 1.0 0.0 6.5 564 452 A 24 GLU H A 24 GLU HB2 1.0 0.0 5.5 565 453 A 24 GLU H A 24 GLU HB3 1.0 0.0 6.5 566 454 A 24 GLU H A 24 GLU HG2 1.0 0.0 6.5 567 455 A 24 GLU H A 24 GLU HG3 1.0 0.0 6.5 568 456 A 25 TYR H A 24 GLU H 1.0 0.0 5.5 569 457 A 24 GLU H A 25 TYR HA 1.0 0.0 6.5 570 458 A 25 TYR H A 24 GLU HB2 1.0 0.0 6.5 571 459 A 53 ASP HA A 24 GLU HB2 1.0 0.0 6.5 572 460 A 25 TYR H A 24 GLU HB3 1.0 0.0 6.5 573 461 A 53 ASP HA A 24 GLU HB3 1.0 0.0 6.5 574 462 A 25 TYR H A 24 GLU HG2 1.0 0.0 6.5 575 463 A 86 ASP HA A 24 GLU HG2 1.0 0.0 6.5 576 464 A 25 TYR H A 24 GLU HG3 1.0 0.0 6.5 577 465 A 86 ASP HA A 24 GLU HG3 1.0 0.0 6.5 578 466 A 24 GLU HB3 A 53 ASP HBy 1.0 0.0 6.5 579 466 A 24 GLU HB2 A 53 ASP HBy 1.0 0.0 6.5 580 466 A 53 ASP HBx A 24 GLU HB3 1.0 0.0 6.5 581 466 A 24 GLU HB2 A 53 ASP HBx 1.0 0.0 6.5 582 467 A 24 GLU HG2 A 53 ASP HBy 1.0 0.0 6.5 583 467 A 24 GLU HG3 A 53 ASP HBy 1.0 0.0 6.5 584 467 A 53 ASP HBx A 24 GLU HG2 1.0 0.0 6.5 585 467 A 53 ASP HBx A 24 GLU HG3 1.0 0.0 6.5 586 468 A 25 TYR H A 25 TYR HDx 1.0 0.0 6.5 587 469 A 25 TYR H A 25 TYR HDy 1.0 0.0 6.5 588 470 A 25 TYR H A 25 TYR HE2 1.0 0.0 6.5 589 471 A 25 TYR H A 26 ARG H 1.0 0.0 6.5 590 472 A 25 TYR H A 86 ASP H 1.0 0.0 6.5 591 473 A 26 ARG H A 25 TYR HBx 1.0 0.0 6.5 592 474 A 26 ARG H A 25 TYR HBy 1.0 0.0 6.5 593 475 A 26 ARG H A 25 TYR HDx 1.0 0.0 6.5 594 476 A 26 ARG H A 25 TYR HDy 1.0 0.0 6.5 595 477 A 44 THR HB A 25 TYR HBy 1.0 0.0 6.5 596 477 A 25 TYR HBx A 44 THR HB 1.0 0.0 6.5 597 478 A 26 ARG H A 26 ARG HD2 1.0 0.0 6.5 598 479 A 26 ARG H A 26 ARG HD3 1.0 0.0 6.5 599 480 A 26 ARG H A 26 ARG HGx 1.0 0.0 6.5 600 481 A 26 ARG H A 26 ARG HGy 1.0 0.0 6.5 601 482 A 26 ARG H A 27 TYR H 1.0 0.0 6.5 602 483 A 26 ARG H A 44 THR H 1.0 0.0 6.5 603 484 A 26 ARG H A 44 THR HA 1.0 0.0 6.5 604 485 A 26 ARG H A 44 THR HB 1.0 0.0 6.5 605 486 A 26 ARG H A 44 THR HG2% 1.0 0.0 6.5 606 487 A 44 THR H A 26 ARG HB2 1.0 0.0 6.5 607 488 A 44 THR H A 26 ARG HB3 1.0 0.0 6.5 608 489 A 27 TYR H A 26 ARG HGx 1.0 0.0 6.5 609 490 A 27 TYR H A 26 ARG HGy 1.0 0.0 6.5 610 491 A 27 TYR H A 26 ARG HGy 1.0 0.0 6.5 611 491 A 27 TYR H A 26 ARG HGx 1.0 0.0 6.5 612 492 A 27 TYR H A 27 TYR HDx 1.0 0.0 6.5 613 493 A 27 TYR H A 27 TYR HDy 1.0 0.0 6.5 614 494 A 27 TYR H A 27 TYR HEx 1.0 0.0 6.5 615 495 A 27 TYR H A 27 TYR HEy 1.0 0.0 6.5 616 496 A 28 ILE H A 27 TYR H 1.0 0.0 6.5 617 497 A 27 TYR H A 29 ILE HD1% 1.0 0.0 6.5 618 498 A 27 TYR H A 42 ALA HA 1.0 0.0 6.5 619 499 A 42 ALA HB% A 27 TYR H 1.0 0.0 6.5 620 500 A 27 TYR H A 43 VAL H 1.0 0.0 6.5 621 501 A 27 TYR H A 43 VAL HA 1.0 0.0 6.5 622 502 A 27 TYR H A 43 VAL HB 1.0 0.0 6.5 623 503 A 27 TYR H A 43 VAL O 1.0 0.0 4.0 624 504 A 27 TYR H A 43 VAL HG1% 1.0 0.0 6.5 625 505 A 27 TYR H A 43 VAL HG2% 1.0 0.0 6.5 626 506 A 27 TYR H A 43 VAL HG2% 1.0 0.0 6.5 627 506 A 27 TYR H A 43 VAL HG1% 1.0 0.0 6.5 628 507 A 27 TYR H A 44 THR HA 1.0 0.0 5.5 629 508 A 27 TYR H A 44 THR HG2% 1.0 0.0 6.5 630 509 A 27 TYR H A 45 GLN H 1.0 0.0 6.5 631 510 A 27 TYR H A 45 GLN HA 1.0 0.0 6.5 632 511 A 27 TYR HA A 28 ILE H 1.0 0.0 6.5 633 512 A 84 VAL H A 27 TYR HA 1.0 0.0 6.5 634 513 A 86 ASP H A 27 TYR HA 1.0 0.0 6.5 635 514 A 28 ILE H A 27 TYR HB2 1.0 0.0 6.5 636 515 A 84 VAL H A 27 TYR HB2 1.0 0.0 6.5 637 516 A 28 ILE H A 27 TYR HB3 1.0 0.0 6.5 638 517 A 84 VAL H A 27 TYR HB3 1.0 0.0 6.5 639 518 A 28 ILE H A 27 TYR HDx 1.0 0.0 6.5 640 519 A 28 ILE H A 27 TYR HDy 1.0 0.0 6.5 641 520 A 44 THR HA A 27 TYR HEx 1.0 0.0 6.5 642 521 A 44 THR HA A 27 TYR HEy 1.0 0.0 6.5 643 522 A 43 VAL O A 27 TYR N 1.0 0.0 4.5 644 523 A 43 VAL H A 27 TYR O 1.0 0.0 4.5 645 524 A 27 TYR O A 43 VAL N 1.0 0.0 4.5 646 525 A 28 ILE H A 28 ILE HG12 1.0 0.0 6.5 647 526 A 28 ILE H A 28 ILE HG13 1.0 0.0 6.5 648 527 A 28 ILE HD1% A 28 ILE H 1.0 0.0 6.5 649 528 A 28 ILE HG2% A 28 ILE H 1.0 0.0 6.5 650 529 A 28 ILE H A 29 ILE H 1.0 0.0 6.5 651 530 A 28 ILE H A 41 ALA HB% 1.0 0.0 6.5 652 531 A 28 ILE H A 83 ALA HA 1.0 0.0 6.5 653 532 A 28 ILE H A 83 ALA HB% 1.0 0.0 6.5 654 533 A 84 VAL H A 28 ILE H 1.0 0.0 6.5 655 534 A 84 VAL HB A 28 ILE H 1.0 0.0 6.5 656 535 A 28 ILE H A 84 VAL O 1.0 0.0 4.0 657 536 A 84 VAL HG1% A 28 ILE H 1.0 0.0 6.5 658 537 A 28 ILE H A 84 VAL HG2% 1.0 0.0 6.5 659 538 A 28 ILE H A 85 PHE HA 1.0 0.0 6.5 660 539 A 28 ILE H A 85 PHE HD1 1.0 0.0 6.5 661 540 A 28 ILE HA A 42 ALA H 1.0 0.0 6.5 662 541 A 42 ALA HB% A 28 ILE HA 1.0 0.0 6.5 663 542 A 43 VAL H A 28 ILE HA 1.0 0.0 6.5 664 543 A 84 VAL H A 28 ILE HA 1.0 0.0 6.5 665 544 A 28 ILE HA A 84 VAL HG2% 1.0 0.0 6.5 666 544 A 84 VAL HG1% A 28 ILE HA 1.0 0.0 6.5 667 545 A 29 ILE H A 28 ILE HB 1.0 0.0 6.5 668 546 A 84 VAL H A 28 ILE HB 1.0 0.0 6.5 669 547 A 28 ILE HG12 A 29 ILE H 1.0 0.0 6.5 670 548 A 84 VAL H A 28 ILE HG12 1.0 0.0 6.5 671 549 A 84 VAL HB A 28 ILE HG12 1.0 0.0 6.5 672 550 A 29 ILE H A 28 ILE HG13 1.0 0.0 6.5 673 551 A 84 VAL H A 28 ILE HG13 1.0 0.0 6.5 674 552 A 84 VAL HB A 28 ILE HG13 1.0 0.0 6.5 675 553 A 84 VAL O A 28 ILE N 1.0 0.0 4.5 676 554 A 84 VAL H A 28 ILE O 1.0 0.0 4.0 677 555 A 28 ILE O A 84 VAL N 1.0 0.0 4.5 678 556 A 28 ILE HD1% A 29 ILE H 1.0 0.0 6.5 679 557 A 28 ILE HD1% A 30 PHE H 1.0 0.0 6.5 680 558 A 39 VAL HB A 28 ILE HD1% 1.0 0.0 6.5 681 559 A 28 ILE HD1% A 41 ALA H 1.0 0.0 6.5 682 560 A 28 ILE HD1% A 84 VAL H 1.0 0.0 6.5 683 561 A 28 ILE HD1% A 84 VAL HG1% 1.0 0.0 6.5 684 562 A 28 ILE HD1% A 84 VAL HG2% 1.0 0.0 6.5 685 563 A 28 ILE HD1% A 84 VAL HG2% 1.0 0.0 6.5 686 563 A 28 ILE HD1% A 84 VAL HG1% 1.0 0.0 6.5 687 564 A 28 ILE HG12 A 84 VAL HG2% 1.0 0.0 6.5 688 564 A 84 VAL HG1% A 28 ILE HG13 1.0 0.0 6.5 689 564 A 84 VAL HG1% A 28 ILE HG12 1.0 0.0 6.5 690 564 A 28 ILE HG13 A 84 VAL HG2% 1.0 0.0 6.5 691 565 A 28 ILE HG2% A 133 LEU HD1% 1.0 0.0 6.5 692 566 A 28 ILE HG2% A 133 LEU HD2% 1.0 0.0 6.5 693 567 A 28 ILE HG2% A 29 ILE H 1.0 0.0 6.5 694 568 A 28 ILE HG2% A 84 VAL H 1.0 0.0 6.5 695 569 A 28 ILE HG2% A 84 VAL HB 1.0 0.0 6.5 696 570 A 28 ILE HG2% A 84 VAL HG1% 1.0 0.0 6.5 697 571 A 28 ILE HG2% A 84 VAL HG2% 1.0 0.0 6.5 698 572 A 28 ILE HG2% A 84 VAL HG2% 1.0 0.0 6.5 699 572 A 28 ILE HG2% A 84 VAL HG1% 1.0 0.0 6.5 700 573 A 28 ILE HG2% A 85 PHE HBx 1.0 0.0 6.5 701 574 A 28 ILE HG2% A 85 PHE HBy 1.0 0.0 6.5 702 575 A 28 ILE HG2% A 85 PHE HBy 1.0 0.0 6.5 703 575 A 28 ILE HG2% A 85 PHE HBx 1.0 0.0 6.5 704 576 A 29 ILE H A 29 ILE HB 1.0 0.0 6.5 705 577 A 29 ILE H A 29 ILE HG1x 1.0 0.0 6.5 706 578 A 29 ILE H A 29 ILE HG1y 1.0 0.0 6.5 707 579 A 29 ILE HD1% A 29 ILE H 1.0 0.0 6.5 708 580 A 29 ILE H A 29 ILE HG2% 1.0 0.0 6.5 709 581 A 29 ILE H A 30 PHE H 1.0 0.0 6.5 710 582 A 39 VAL HB A 29 ILE H 1.0 0.0 6.5 711 583 A 29 ILE H A 39 VAL HG2% 1.0 0.0 6.5 712 583 A 39 VAL HG1% A 29 ILE H 1.0 0.0 6.5 713 584 A 41 ALA H A 29 ILE H 1.0 0.0 6.5 714 585 A 29 ILE H A 41 ALA HA 1.0 0.0 6.5 715 586 A 29 ILE H A 41 ALA O 1.0 0.0 4.0 716 587 A 29 ILE H A 41 ALA HB% 1.0 0.0 6.5 717 588 A 29 ILE H A 42 ALA H 1.0 0.0 6.5 718 589 A 42 ALA HA A 29 ILE H 1.0 0.0 6.5 719 590 A 42 ALA HB% A 29 ILE H 1.0 0.0 6.5 720 591 A 43 VAL H A 29 ILE H 1.0 0.0 6.5 721 592 A 29 ILE H A 83 ALA HA 1.0 0.0 6.5 722 593 A 30 PHE H A 29 ILE HA 1.0 0.0 6.5 723 594 A 83 ALA HA A 29 ILE HA 1.0 0.0 6.5 724 595 A 83 ALA HB% A 29 ILE HA 1.0 0.0 6.5 725 596 A 84 VAL H A 29 ILE HA 1.0 0.0 6.5 726 597 A 30 PHE H A 29 ILE HB 1.0 0.0 6.5 727 598 A 29 ILE HB A 40 GLU H 1.0 0.0 6.5 728 599 A 41 ALA H A 29 ILE HB 1.0 0.0 6.5 729 600 A 42 ALA H A 29 ILE HB 1.0 0.0 6.5 730 601 A 42 ALA HA A 29 ILE HB 1.0 0.0 6.5 731 602 A 83 ALA HA A 29 ILE HB 1.0 0.0 6.5 732 603 A 30 PHE H A 29 ILE HG1x 1.0 0.0 6.5 733 604 A 43 VAL H A 29 ILE HG1x 1.0 0.0 6.5 734 605 A 30 PHE H A 29 ILE HG1y 1.0 0.0 6.5 735 606 A 43 VAL H A 29 ILE HG1y 1.0 0.0 6.5 736 607 A 41 ALA O A 29 ILE N 1.0 0.0 4.5 737 608 A 41 ALA H A 29 ILE O 1.0 0.0 4.0 738 609 A 29 ILE O A 41 ALA N 1.0 0.0 4.5 739 610 A 29 ILE HD1% A 30 PHE H 1.0 0.0 6.5 740 611 A 29 ILE HD1% A 40 GLU H 1.0 0.0 6.5 741 612 A 41 ALA H A 29 ILE HD1% 1.0 0.0 6.5 742 613 A 29 ILE HD1% A 42 ALA H 1.0 0.0 6.5 743 614 A 29 ILE HD1% A 43 VAL H 1.0 0.0 6.5 744 615 A 29 ILE HD1% A 83 ALA HA 1.0 0.0 6.5 745 616 A 84 VAL H A 29 ILE HD1% 1.0 0.0 6.5 746 617 A 41 ALA HA A 29 ILE HG1y 1.0 0.0 6.5 747 617 A 41 ALA HA A 29 ILE HG1x 1.0 0.0 6.5 748 618 A 42 ALA H A 29 ILE HG1y 1.0 0.0 6.5 749 618 A 42 ALA H A 29 ILE HG1x 1.0 0.0 6.5 750 619 A 30 PHE H A 29 ILE HG2% 1.0 0.0 6.5 751 620 A 29 ILE HG2% A 40 GLU H 1.0 0.0 6.5 752 621 A 41 ALA H A 29 ILE HG2% 1.0 0.0 6.5 753 622 A 29 ILE HG2% A 82 TYR H 1.0 0.0 6.5 754 623 A 30 PHE H A 30 PHE HDx 1.0 0.0 6.5 755 624 A 30 PHE H A 30 PHE HDy 1.0 0.0 6.5 756 625 A 30 PHE H A 30 PHE HE1 1.0 0.0 6.5 757 626 A 30 PHE H A 30 PHE HE2 1.0 0.0 6.5 758 627 A 30 PHE H A 31 LYS H 1.0 0.0 6.5 759 628 A 41 ALA HB% A 30 PHE H 1.0 0.0 6.5 760 629 A 30 PHE H A 81 ARG HA 1.0 0.0 6.5 761 630 A 30 PHE H A 81 ARG HBx 1.0 0.0 6.5 762 631 A 30 PHE H A 82 TYR H 1.0 0.0 6.5 763 632 A 30 PHE H A 82 TYR HA 1.0 0.0 6.5 764 633 A 30 PHE H A 82 TYR HBx 1.0 0.0 6.5 765 634 A 30 PHE H A 82 TYR HBy 1.0 0.0 6.5 766 635 A 30 PHE H A 82 TYR O 1.0 0.0 4.0 767 636 A 83 ALA HA A 30 PHE H 1.0 0.0 6.5 768 637 A 83 ALA HB% A 30 PHE H 1.0 0.0 6.5 769 638 A 84 VAL H A 30 PHE H 1.0 0.0 6.5 770 639 A 129 ILE HD1% A 30 PHE HA 1.0 0.0 6.5 771 640 A 31 LYS H A 30 PHE HA 1.0 0.0 6.5 772 641 A 39 VAL HA A 30 PHE HA 1.0 0.0 6.5 773 642 A 39 VAL HG1% A 30 PHE HA 1.0 0.0 6.5 774 643 A 30 PHE HA A 39 VAL HG2% 1.0 0.0 6.5 775 644 A 30 PHE HA A 39 VAL HG2% 1.0 0.0 6.5 776 644 A 39 VAL HG1% A 30 PHE HA 1.0 0.0 6.5 777 645 A 40 GLU H A 30 PHE HA 1.0 0.0 6.5 778 646 A 31 LYS H A 30 PHE HBx 1.0 0.0 6.5 779 647 A 82 TYR H A 30 PHE HBx 1.0 0.0 6.5 780 648 A 31 LYS H A 30 PHE HBy 1.0 0.0 6.5 781 649 A 82 TYR H A 30 PHE HBy 1.0 0.0 6.5 782 650 A 129 ILE HD1% A 30 PHE HDx 1.0 0.0 6.5 783 651 A 83 ALA HB% A 30 PHE HDx 1.0 0.0 6.5 784 652 A 129 ILE HD1% A 30 PHE HDy 1.0 0.0 6.5 785 653 A 82 TYR O A 30 PHE N 1.0 0.0 4.5 786 654 A 82 TYR H A 30 PHE O 1.0 0.0 4.0 787 655 A 30 PHE O A 82 TYR N 1.0 0.0 4.5 788 656 A 129 ILE HD1% A 30 PHE HBy 1.0 0.0 6.5 789 656 A 129 ILE HD1% A 30 PHE HBx 1.0 0.0 6.5 790 657 A 31 LYS H A 30 PHE HBy 1.0 0.0 6.5 791 657 A 31 LYS H A 30 PHE HBx 1.0 0.0 6.5 792 658 A 82 TYR H A 30 PHE HBy 1.0 0.0 6.5 793 658 A 82 TYR H A 30 PHE HBx 1.0 0.0 6.5 794 659 A 31 LYS H A 122 TYR HE2 1.0 0.0 6.5 795 660 A 31 LYS H A 31 LYS HD2 1.0 0.0 6.5 796 661 A 31 LYS H A 31 LYS HD3 1.0 0.0 6.5 797 662 A 31 LYS H A 31 LYS HE2 1.0 0.0 6.5 798 663 A 31 LYS H A 31 LYS HE3 1.0 0.0 6.5 799 664 A 31 LYS H A 31 LYS HG2 1.0 0.0 6.5 800 665 A 31 LYS H A 31 LYS HG3 1.0 0.0 6.5 801 666 A 31 LYS H A 32 ILE H 1.0 0.0 6.5 802 667 A 37 VAL HA A 31 LYS H 1.0 0.0 6.5 803 668 A 31 LYS H A 37 VAL HB 1.0 0.0 6.5 804 669 A 37 VAL HG1% A 31 LYS H 1.0 0.0 6.5 805 670 A 31 LYS H A 37 VAL HG2% 1.0 0.0 6.5 806 671 A 31 LYS H A 37 VAL HG2% 1.0 0.0 6.5 807 671 A 37 VAL HG1% A 31 LYS H 1.0 0.0 6.5 808 672 A 31 LYS H A 38 ILE H 1.0 0.0 6.5 809 673 A 38 ILE HA A 31 LYS H 1.0 0.0 6.5 810 674 A 31 LYS H A 38 ILE O 1.0 0.0 4.0 811 675 A 31 LYS H A 38 ILE HG1x 1.0 0.0 6.5 812 675 A 31 LYS H A 38 ILE HG1y 1.0 0.0 6.5 813 676 A 39 VAL HA A 31 LYS H 1.0 0.0 6.5 814 677 A 39 VAL HG1% A 31 LYS H 1.0 0.0 6.5 815 678 A 31 LYS H A 39 VAL HG2% 1.0 0.0 6.5 816 679 A 31 LYS H A 39 VAL HG2% 1.0 0.0 6.5 817 679 A 39 VAL HG1% A 31 LYS H 1.0 0.0 6.5 818 680 A 31 LYS H A 40 GLU HA 1.0 0.0 6.5 819 681 A 31 LYS H A 40 GLU HBx 1.0 0.0 6.5 820 681 A 31 LYS H A 40 GLU HBy 1.0 0.0 6.5 821 682 A 31 LYS HA A 81 ARG HD2 1.0 0.0 6.5 822 683 A 31 LYS HA A 81 ARG HD3 1.0 0.0 6.5 823 684 A 82 TYR H A 31 LYS HA 1.0 0.0 6.5 824 685 A 39 VAL HA A 31 LYS HBy 1.0 0.0 6.5 825 686 A 32 ILE H A 31 LYS HD2 1.0 0.0 6.5 826 687 A 40 GLU HA A 31 LYS HD2 1.0 0.0 6.5 827 688 A 32 ILE H A 31 LYS HD3 1.0 0.0 6.5 828 689 A 40 GLU HA A 31 LYS HD3 1.0 0.0 6.5 829 690 A 81 ARG HA A 31 LYS HG2 1.0 0.0 6.5 830 691 A 81 ARG HA A 31 LYS HG3 1.0 0.0 6.5 831 692 A 38 ILE O A 31 LYS N 1.0 0.0 4.5 832 693 A 38 ILE H A 31 LYS O 1.0 0.0 4.0 833 694 A 31 LYS O A 38 ILE N 1.0 0.0 4.5 834 695 A 32 ILE H A 31 LYS HBx 1.0 0.0 6.5 835 695 A 32 ILE H A 31 LYS HBy 1.0 0.0 6.5 836 696 A 31 LYS HBx A 81 ARG HD3 1.0 0.0 6.5 837 696 A 31 LYS HBy A 81 ARG HD3 1.0 0.0 6.5 838 696 A 81 ARG HD2 A 31 LYS HBx 1.0 0.0 6.5 839 696 A 31 LYS HBy A 81 ARG HD2 1.0 0.0 6.5 840 697 A 39 VAL HA A 31 LYS HD3 1.0 0.0 6.5 841 697 A 39 VAL HA A 31 LYS HD2 1.0 0.0 6.5 842 698 A 40 GLU H A 31 LYS HD3 1.0 0.0 6.5 843 698 A 40 GLU H A 31 LYS HD2 1.0 0.0 6.5 844 699 A 31 LYS HD2 A 81 ARG HD3 1.0 0.0 6.5 845 699 A 81 ARG HD2 A 31 LYS HD3 1.0 0.0 6.5 846 699 A 81 ARG HD2 A 31 LYS HD2 1.0 0.0 6.5 847 699 A 31 LYS HD3 A 81 ARG HD3 1.0 0.0 6.5 848 700 A 31 LYS HG2 A 81 ARG HD3 1.0 0.0 5.5 849 700 A 31 LYS HG3 A 81 ARG HD3 1.0 0.0 5.5 850 700 A 81 ARG HD2 A 31 LYS HG2 1.0 0.0 5.5 851 700 A 81 ARG HD2 A 31 LYS HG3 1.0 0.0 5.5 852 701 A 32 ILE H A 32 ILE HG12 1.0 0.0 6.5 853 702 A 32 ILE H A 32 ILE HG13 1.0 0.0 6.5 854 703 A 32 ILE H A 32 ILE HD1% 1.0 0.0 6.5 855 704 A 32 ILE H A 32 ILE HG2% 1.0 0.0 6.5 856 705 A 32 ILE H A 33 ASP H 1.0 0.0 6.5 857 706 A 37 VAL HA A 32 ILE H 1.0 0.0 6.5 858 707 A 33 ASP H A 32 ILE HA 1.0 0.0 5.5 859 708 A 37 VAL HA A 32 ILE HA 1.0 0.0 6.5 860 709 A 38 ILE H A 32 ILE HA 1.0 0.0 6.5 861 710 A 33 ASP H A 32 ILE HB 1.0 0.0 6.5 862 711 A 32 ILE HG12 A 122 TYR HA 1.0 0.0 5.5 863 712 A 32 ILE HG12 A 33 ASP H 1.0 0.0 6.5 864 713 A 32 ILE HG13 A 122 TYR HA 1.0 0.0 6.5 865 714 A 32 ILE HG13 A 33 ASP H 1.0 0.0 6.5 866 715 A 121 VAL H A 32 ILE HD1% 1.0 0.0 6.5 867 716 A 32 ILE HD1% A 121 VAL HA 1.0 0.0 6.5 868 717 A 32 ILE HD1% A 121 VAL HB 1.0 0.0 6.5 869 718 A 32 ILE HD1% A 121 VAL HG1% 1.0 0.0 6.5 870 719 A 32 ILE HD1% A 121 VAL HG2% 1.0 0.0 6.5 871 720 A 32 ILE HD1% A 121 VAL HG2% 1.0 0.0 6.5 872 720 A 32 ILE HD1% A 121 VAL HG1% 1.0 0.0 6.5 873 721 A 32 ILE HD1% A 122 TYR H 1.0 0.0 6.5 874 722 A 32 ILE HD1% A 122 TYR HA 1.0 0.0 6.5 875 723 A 32 ILE HD1% A 123 ALA H 1.0 0.0 6.5 876 724 A 124 SER H A 32 ILE HD1% 1.0 0.0 6.5 877 725 A 125 SER H A 32 ILE HD1% 1.0 0.0 6.5 878 726 A 126 ALA H A 32 ILE HD1% 1.0 0.0 6.5 879 727 A 32 ILE HD1% A 33 ASP H 1.0 0.0 6.5 880 728 A 32 ILE HG2% A 121 VAL HA 1.0 0.0 6.5 881 729 A 32 ILE HG2% A 121 VAL HB 1.0 0.0 6.5 882 730 A 32 ILE HG2% A 121 VAL HG1% 1.0 0.0 6.5 883 731 A 32 ILE HG2% A 121 VAL HG2% 1.0 0.0 6.5 884 732 A 32 ILE HG2% A 121 VAL HG2% 1.0 0.0 6.5 885 732 A 32 ILE HG2% A 121 VAL HG1% 1.0 0.0 6.5 886 733 A 32 ILE HG2% A 122 TYR HA 1.0 0.0 6.5 887 734 A 32 ILE HG2% A 122 TYR HBx 1.0 0.0 6.5 888 735 A 32 ILE HG2% A 122 TYR HBy 1.0 0.0 6.5 889 736 A 32 ILE HG2% A 122 TYR HBy 1.0 0.0 6.5 890 736 A 32 ILE HG2% A 122 TYR HBx 1.0 0.0 6.5 891 737 A 32 ILE HG2% A 33 ASP H 1.0 0.0 6.5 892 738 A 35 ASN H A 32 ILE HG2% 1.0 0.0 6.5 893 739 A 36 LYS H A 32 ILE HG2% 1.0 0.0 6.5 894 740 A 36 LYS HA A 32 ILE HG2% 1.0 0.0 6.5 895 741 A 37 VAL HA A 32 ILE HG2% 1.0 0.0 6.5 896 742 A 38 ILE H A 32 ILE HG2% 1.0 0.0 6.5 897 743 A 33 ASP H A 33 ASP HBx 1.0 0.0 6.5 898 744 A 33 ASP H A 33 ASP HBy 1.0 0.0 6.5 899 745 A 33 ASP H A 33 ASP HBy 1.0 0.0 5.5 900 745 A 33 ASP H A 33 ASP HBx 1.0 0.0 5.5 901 746 A 33 ASP H A 34 GLU H 1.0 0.0 6.5 902 747 A 35 ASN H A 33 ASP H 1.0 0.0 6.5 903 748 A 33 ASP H A 35 ASN HA 1.0 0.0 6.5 904 749 A 33 ASP H A 35 ASN HBy 1.0 0.0 6.5 905 749 A 33 ASP H A 35 ASN HBx 1.0 0.0 6.5 906 750 A 36 LYS H A 33 ASP H 1.0 0.0 6.5 907 751 A 36 LYS HA A 33 ASP H 1.0 0.0 6.5 908 752 A 36 LYS HE2 A 33 ASP H 1.0 0.0 6.5 909 753 A 36 LYS HE3 A 33 ASP H 1.0 0.0 6.5 910 754 A 36 LYS HG2 A 33 ASP H 1.0 0.0 6.5 911 755 A 36 LYS HG3 A 33 ASP H 1.0 0.0 6.5 912 756 A 33 ASP H A 36 LYS O 1.0 0.0 4.0 913 757 A 37 VAL H A 33 ASP H 1.0 0.0 6.5 914 758 A 37 VAL HA A 33 ASP H 1.0 0.0 6.5 915 759 A 37 VAL HG1% A 33 ASP H 1.0 0.0 6.5 916 760 A 33 ASP H A 37 VAL HG2% 1.0 0.0 6.5 917 761 A 38 ILE HB A 33 ASP H 1.0 0.0 6.5 918 762 A 34 GLU H A 33 ASP HA 1.0 0.0 5.5 919 763 A 35 ASN H A 33 ASP HA 1.0 0.0 6.5 920 764 A 33 ASP HA A 38 ILE HD1% 1.0 0.0 6.5 921 765 A 33 ASP HA A 38 ILE HG1x 1.0 0.0 6.5 922 765 A 38 ILE HG1y A 33 ASP HA 1.0 0.0 6.5 923 766 A 33 ASP HBx A 34 GLU H 1.0 0.0 6.5 924 767 A 33 ASP HBx A 38 ILE HD1% 1.0 0.0 6.5 925 768 A 34 GLU H A 33 ASP HBy 1.0 0.0 6.5 926 769 A 38 ILE HD1% A 33 ASP HBy 1.0 0.0 6.5 927 770 A 36 LYS O A 33 ASP N 1.0 0.0 4.5 928 771 A 36 LYS H A 33 ASP O 1.0 0.0 4.0 929 772 A 33 ASP O A 36 LYS N 1.0 0.0 4.5 930 773 A 34 GLU H A 33 ASP HBy 1.0 0.0 6.5 931 773 A 33 ASP HBx A 34 GLU H 1.0 0.0 6.5 932 774 A 35 ASN H A 33 ASP HBy 1.0 0.0 6.5 933 774 A 35 ASN H A 33 ASP HBx 1.0 0.0 6.5 934 775 A 36 LYS H A 33 ASP HBy 1.0 0.0 6.5 935 775 A 36 LYS H A 33 ASP HBx 1.0 0.0 6.5 936 776 A 38 ILE HB A 33 ASP HBy 1.0 0.0 6.5 937 776 A 38 ILE HB A 33 ASP HBx 1.0 0.0 6.5 938 777 A 38 ILE HD1% A 33 ASP HBy 1.0 0.0 5.5 939 777 A 33 ASP HBx A 38 ILE HD1% 1.0 0.0 5.5 940 778 A 33 ASP HBx A 38 ILE HG1x 1.0 0.0 6.5 941 778 A 33 ASP HBy A 38 ILE HG1x 1.0 0.0 6.5 942 778 A 38 ILE HG1y A 33 ASP HBy 1.0 0.0 6.5 943 778 A 38 ILE HG1y A 33 ASP HBx 1.0 0.0 6.5 944 779 A 34 GLU H A 34 GLU HA 1.0 0.0 5.5 945 780 A 34 GLU H A 34 GLU HG2 1.0 0.0 6.5 946 781 A 34 GLU H A 34 GLU HG3 1.0 0.0 6.5 947 782 A 34 GLU H A 34 GLU HBy 1.0 0.0 6.5 948 782 A 34 GLU H A 34 GLU HBx 1.0 0.0 6.5 949 783 A 35 ASN H A 34 GLU H 1.0 0.0 6.5 950 784 A 35 ASN H A 34 GLU HBx 1.0 0.0 6.5 951 785 A 35 ASN H A 34 GLU HBy 1.0 0.0 6.5 952 786 A 35 ASN H A 34 GLU HG2 1.0 0.0 6.5 953 787 A 36 LYS H A 34 GLU HG2 1.0 0.0 6.5 954 788 A 35 ASN H A 34 GLU HG3 1.0 0.0 6.5 955 789 A 36 LYS H A 34 GLU HG3 1.0 0.0 6.5 956 790 A 35 ASN H A 35 ASN HBx 1.0 0.0 6.5 957 791 A 35 ASN H A 35 ASN HBy 1.0 0.0 6.5 958 792 A 36 LYS H A 35 ASN H 1.0 0.0 5.5 959 793 A 35 ASN H A 36 LYS HD2 1.0 0.0 6.5 960 794 A 35 ASN H A 36 LYS HD3 1.0 0.0 6.5 961 795 A 35 ASN H A 36 LYS HG2 1.0 0.0 6.5 962 796 A 35 ASN H A 36 LYS HG3 1.0 0.0 6.5 963 797 A 36 LYS H A 35 ASN HBx 1.0 0.0 6.5 964 798 A 36 LYS H A 35 ASN HBy 1.0 0.0 6.5 965 799 A 36 LYS H A 35 ASN HBy 1.0 0.0 6.5 966 799 A 36 LYS H A 35 ASN HBx 1.0 0.0 6.5 967 800 A 36 LYS H A 36 LYS HD2 1.0 0.0 6.5 968 801 A 36 LYS H A 36 LYS HD3 1.0 0.0 6.5 969 802 A 36 LYS H A 36 LYS HE2 1.0 0.0 6.5 970 803 A 36 LYS H A 36 LYS HE3 1.0 0.0 6.5 971 804 A 36 LYS H A 36 LYS HG2 1.0 0.0 6.5 972 805 A 36 LYS H A 36 LYS HG3 1.0 0.0 6.5 973 806 A 36 LYS H A 37 VAL H 1.0 0.0 6.5 974 807 A 36 LYS HA A 37 VAL H 1.0 0.0 5.5 975 808 A 36 LYS HB2 A 37 VAL H 1.0 0.0 6.5 976 809 A 36 LYS HB3 A 37 VAL H 1.0 0.0 6.5 977 810 A 36 LYS HD2 A 37 VAL H 1.0 0.0 6.5 978 811 A 36 LYS HD3 A 37 VAL H 1.0 0.0 6.5 979 812 A 37 VAL H A 36 LYS HE2 1.0 0.0 6.5 980 813 A 36 LYS HE2 A 38 ILE H 1.0 0.0 6.5 981 814 A 36 LYS HE2 A 38 ILE HB 1.0 0.0 5.5 982 815 A 37 VAL H A 36 LYS HE3 1.0 0.0 6.5 983 816 A 36 LYS HE3 A 38 ILE H 1.0 0.0 6.5 984 817 A 36 LYS HE3 A 38 ILE HB 1.0 0.0 6.5 985 818 A 36 LYS HG2 A 37 VAL H 1.0 0.0 6.5 986 819 A 36 LYS HG3 A 37 VAL H 1.0 0.0 6.5 987 820 A 37 VAL H A 37 VAL HB 1.0 0.0 6.5 988 821 A 37 VAL H A 37 VAL HG1% 1.0 0.0 6.5 989 822 A 37 VAL H A 37 VAL HG2% 1.0 0.0 6.5 990 823 A 37 VAL H A 37 VAL HG2% 1.0 0.0 6.5 991 823 A 37 VAL H A 37 VAL HG1% 1.0 0.0 6.5 992 824 A 37 VAL H A 38 ILE H 1.0 0.0 6.5 993 825 A 37 VAL HA A 38 ILE H 1.0 0.0 5.5 994 826 A 37 VAL HB A 38 ILE H 1.0 0.0 6.5 995 827 A 37 VAL HG1% A 38 ILE H 1.0 0.0 6.5 996 828 A 38 ILE H A 37 VAL HG2% 1.0 0.0 6.5 997 829 A 38 ILE H A 37 VAL HG2% 1.0 0.0 6.5 998 829 A 37 VAL HG1% A 38 ILE H 1.0 0.0 6.5 999 830 A 38 ILE H A 38 ILE HG1y 1.0 0.0 6.5 1000 831 A 38 ILE H A 38 ILE HG1x 1.0 0.0 6.5 1001 832 A 38 ILE H A 38 ILE HD1% 1.0 0.0 6.5 1002 833 A 38 ILE H A 38 ILE HG1x 1.0 0.0 5.5 1003 833 A 38 ILE H A 38 ILE HG1y 1.0 0.0 5.5 1004 834 A 38 ILE H A 38 ILE HG2% 1.0 0.0 6.5 1005 835 A 39 VAL H A 38 ILE H 1.0 0.0 6.5 1006 836 A 38 ILE HA A 39 VAL H 1.0 0.0 5.5 1007 837 A 38 ILE HB A 39 VAL H 1.0 0.0 5.5 1008 838 A 39 VAL H A 38 ILE HG1y 1.0 0.0 6.5 1009 839 A 39 VAL H A 38 ILE HG1x 1.0 0.0 6.5 1010 840 A 39 VAL H A 38 ILE HD1% 1.0 0.0 6.5 1011 841 A 39 VAL H A 38 ILE HG1x 1.0 0.0 6.5 1012 841 A 39 VAL H A 38 ILE HG1y 1.0 0.0 6.5 1013 842 A 39 VAL H A 38 ILE HG2% 1.0 0.0 6.5 1014 843 A 39 VAL H A 39 VAL HB 1.0 0.0 6.5 1015 844 A 39 VAL H A 39 VAL HG1% 1.0 0.0 6.5 1016 845 A 39 VAL H A 39 VAL HG2% 1.0 0.0 6.5 1017 846 A 39 VAL H A 39 VAL HG2% 1.0 0.0 6.5 1018 846 A 39 VAL H A 39 VAL HG1% 1.0 0.0 6.5 1019 847 A 39 VAL H A 40 GLU H 1.0 0.0 6.5 1020 848 A 39 VAL HA A 40 GLU H 1.0 0.0 6.5 1021 849 A 39 VAL HB A 40 GLU H 1.0 0.0 6.5 1022 850 A 39 VAL HG1% A 40 GLU H 1.0 0.0 6.5 1023 851 A 39 VAL HG1% A 41 ALA H 1.0 0.0 6.5 1024 852 A 39 VAL HG1% A 42 ALA HB% 1.0 0.0 6.5 1025 853 A 40 GLU H A 39 VAL HG2% 1.0 0.0 6.5 1026 854 A 41 ALA H A 39 VAL HG2% 1.0 0.0 6.5 1027 855 A 42 ALA HB% A 39 VAL HG2% 1.0 0.0 6.5 1028 856 A 40 GLU H A 39 VAL HG2% 1.0 0.0 6.5 1029 856 A 39 VAL HG1% A 40 GLU H 1.0 0.0 6.5 1030 857 A 41 ALA H A 39 VAL HG2% 1.0 0.0 6.5 1031 857 A 39 VAL HG1% A 41 ALA H 1.0 0.0 6.5 1032 858 A 42 ALA HB% A 39 VAL HG2% 1.0 0.0 6.5 1033 858 A 39 VAL HG1% A 42 ALA HB% 1.0 0.0 6.5 1034 859 A 40 GLU H A 40 GLU HG2 1.0 0.0 6.5 1035 860 A 40 GLU H A 40 GLU HG3 1.0 0.0 6.5 1036 861 A 41 ALA H A 40 GLU H 1.0 0.0 5.5 1037 862 A 41 ALA HA A 40 GLU H 1.0 0.0 6.5 1038 863 A 41 ALA HB% A 40 GLU H 1.0 0.0 6.5 1039 864 A 42 ALA HB% A 40 GLU H 1.0 0.0 6.5 1040 865 A 41 ALA H A 40 GLU HG2 1.0 0.0 6.5 1041 866 A 41 ALA H A 40 GLU HG3 1.0 0.0 6.5 1042 867 A 41 ALA H A 40 GLU HBx 1.0 0.0 6.5 1043 867 A 41 ALA H A 40 GLU HBy 1.0 0.0 6.5 1044 868 A 41 ALA H A 42 ALA H 1.0 0.0 6.5 1045 869 A 42 ALA H A 41 ALA HA 1.0 0.0 5.0 1046 870 A 43 VAL HG1% A 41 ALA HA 1.0 0.0 6.5 1047 871 A 41 ALA HB% A 42 ALA H 1.0 0.0 6.5 1048 872 A 43 VAL H A 41 ALA HB% 1.0 0.0 6.5 1049 873 A 43 VAL HG1% A 41 ALA HB% 1.0 0.0 6.5 1050 874 A 42 ALA HB% A 42 ALA H 1.0 0.0 6.5 1051 875 A 43 VAL H A 42 ALA H 1.0 0.0 6.5 1052 876 A 42 ALA HA A 43 VAL H 1.0 0.0 5.5 1053 877 A 42 ALA HB% A 43 VAL H 1.0 0.0 6.5 1054 878 A 42 ALA HB% A 43 VAL HA 1.0 0.0 6.5 1055 879 A 42 ALA HB% A 43 VAL HG2% 1.0 0.0 6.5 1056 879 A 42 ALA HB% A 43 VAL HG1% 1.0 0.0 6.5 1057 880 A 43 VAL H A 43 VAL HG1% 1.0 0.0 6.5 1058 881 A 43 VAL H A 43 VAL HG2% 1.0 0.0 6.5 1059 882 A 43 VAL H A 43 VAL HG2% 1.0 0.0 6.5 1060 882 A 43 VAL H A 43 VAL HG1% 1.0 0.0 6.5 1061 883 A 44 THR H A 43 VAL H 1.0 0.0 6.5 1062 884 A 44 THR H A 43 VAL HA 1.0 0.0 5.5 1063 885 A 44 THR H A 43 VAL HG1% 1.0 0.0 6.5 1064 886 A 44 THR H A 43 VAL HG2% 1.0 0.0 6.5 1065 887 A 44 THR H A 43 VAL HG2% 1.0 0.0 6.5 1066 887 A 44 THR H A 43 VAL HG1% 1.0 0.0 6.5 1067 888 A 47 GLN H A 43 VAL HG2% 1.0 0.0 6.5 1068 888 A 43 VAL HG1% A 47 GLN H 1.0 0.0 6.5 1069 889 A 48 LEU H A 43 VAL HG2% 1.0 0.0 6.5 1070 889 A 43 VAL HG1% A 48 LEU H 1.0 0.0 6.5 1071 890 A 44 THR H A 44 THR HG2% 1.0 0.0 6.5 1072 891 A 44 THR H A 45 GLN H 1.0 0.0 6.5 1073 892 A 44 THR H A 47 GLN HG2 1.0 0.0 6.5 1074 892 A 44 THR H A 47 GLN HG3 1.0 0.0 6.5 1075 893 A 44 THR HA A 46 ASP H 1.0 0.0 6.5 1076 894 A 44 THR HA A 47 GLN H 1.0 0.0 6.5 1077 895 A 44 THR HB A 45 GLN H 1.0 0.0 6.5 1078 896 A 44 THR HB A 46 ASP H 1.0 0.0 6.5 1079 897 A 44 THR HB A 46 ASP HB2 1.0 0.0 6.5 1080 898 A 44 THR HB A 46 ASP HB3 1.0 0.0 6.5 1081 899 A 44 THR HB A 47 GLN H 1.0 0.0 6.5 1082 900 A 44 THR HG2% A 45 GLN H 1.0 0.0 6.5 1083 901 A 44 THR HG2% A 47 GLN H 1.0 0.0 6.5 1084 902 A 45 GLN H A 45 GLN HG2 1.0 0.0 6.5 1085 903 A 45 GLN H A 45 GLN HG3 1.0 0.0 6.5 1086 904 A 45 GLN H A 46 ASP H 1.0 0.0 5.5 1087 905 A 45 GLN H A 47 GLN H 1.0 0.0 6.5 1088 906 A 45 GLN H A 48 LEU HG 1.0 0.0 6.5 1089 907 A 45 GLN HA A 46 ASP H 1.0 0.0 6.5 1090 908 A 45 GLN HA A 47 GLN H 1.0 0.0 6.5 1091 909 A 45 GLN HA A 48 LEU H 1.0 0.0 6.5 1092 910 A 45 GLN HA A 49 GLY H 1.0 0.0 6.5 1093 911 A 46 ASP H A 45 GLN HBx 1.0 0.0 6.5 1094 912 A 47 GLN H A 45 GLN HBx 1.0 0.0 6.5 1095 913 A 48 LEU H A 45 GLN HBx 1.0 0.0 6.5 1096 914 A 49 GLY H A 45 GLN HBx 1.0 0.0 6.5 1097 915 A 50 ILE H A 45 GLN HBx 1.0 0.0 6.5 1098 916 A 46 ASP H A 45 GLN HBy 1.0 0.0 6.5 1099 917 A 47 GLN H A 45 GLN HBy 1.0 0.0 6.5 1100 918 A 48 LEU H A 45 GLN HBy 1.0 0.0 6.5 1101 919 A 49 GLY H A 45 GLN HBy 1.0 0.0 6.5 1102 920 A 50 ILE H A 45 GLN HBy 1.0 0.0 6.5 1103 921 A 46 ASP H A 45 GLN HG2 1.0 0.0 6.5 1104 922 A 47 GLN H A 45 GLN HG2 1.0 0.0 6.5 1105 923 A 48 LEU H A 45 GLN HG2 1.0 0.0 6.5 1106 924 A 46 ASP H A 45 GLN HG3 1.0 0.0 6.5 1107 925 A 47 GLN H A 45 GLN HG3 1.0 0.0 6.5 1108 926 A 48 LEU H A 45 GLN HG3 1.0 0.0 6.5 1109 927 A 45 GLN HBy A 49 GLY HAx 1.0 0.0 6.5 1110 927 A 45 GLN HBx A 49 GLY HAx 1.0 0.0 6.5 1111 927 A 49 GLY HAy A 45 GLN HBy 1.0 0.0 6.5 1112 927 A 45 GLN HBx A 49 GLY HAy 1.0 0.0 6.5 1113 928 A 47 GLN H A 46 ASP H 1.0 0.0 5.5 1114 929 A 48 LEU H A 46 ASP H 1.0 0.0 6.5 1115 930 A 48 LEU H A 46 ASP HA 1.0 0.0 6.5 1116 931 A 49 GLY H A 46 ASP HA 1.0 0.0 6.5 1117 932 A 50 ILE H A 46 ASP HA 1.0 0.0 6.5 1118 933 A 47 GLN H A 46 ASP HB2 1.0 0.0 6.5 1119 934 A 48 LEU H A 46 ASP HB2 1.0 0.0 6.5 1120 935 A 47 GLN H A 46 ASP HB3 1.0 0.0 6.5 1121 936 A 48 LEU H A 46 ASP HB3 1.0 0.0 6.5 1122 937 A 49 GLY H A 46 ASP HB3 1.0 0.0 6.5 1123 938 A 53 ASP HA A 46 ASP HB3 1.0 0.0 6.5 1124 938 A 53 ASP HA A 46 ASP HB2 1.0 0.0 6.5 1125 939 A 47 GLN H A 47 GLN HB2 1.0 0.0 6.5 1126 940 A 47 GLN H A 47 GLN HB3 1.0 0.0 6.5 1127 941 A 47 GLN H A 47 GLN HG2 1.0 0.0 5.5 1128 942 A 47 GLN H A 47 GLN HG3 1.0 0.0 5.5 1129 943 A 47 GLN H A 48 LEU H 1.0 0.0 6.5 1130 944 A 47 GLN H A 48 LEU HD1% 1.0 0.0 6.5 1131 945 A 47 GLN H A 48 LEU HD2% 1.0 0.0 6.5 1132 946 A 47 GLN H A 49 GLY H 1.0 0.0 6.5 1133 947 A 50 ILE H A 47 GLN HA 1.0 0.0 6.5 1134 948 A 48 LEU H A 47 GLN HB2 1.0 0.0 6.5 1135 949 A 48 LEU H A 47 GLN HB3 1.0 0.0 6.5 1136 950 A 48 LEU H A 47 GLN HG2 1.0 0.0 6.5 1137 951 A 49 GLY H A 47 GLN HG2 1.0 0.0 6.5 1138 952 A 48 LEU H A 47 GLN HG3 1.0 0.0 6.5 1139 953 A 47 GLN HG3 A 49 GLY H 1.0 0.0 6.5 1140 954 A 48 LEU H A 48 LEU HB2 1.0 0.0 6.5 1141 955 A 48 LEU H A 48 LEU HB3 1.0 0.0 6.5 1142 956 A 48 LEU H A 48 LEU HG 1.0 0.0 6.5 1143 957 A 48 LEU H A 48 LEU HD1% 1.0 0.0 6.5 1144 958 A 48 LEU H A 48 LEU HD2% 1.0 0.0 6.5 1145 959 A 48 LEU H A 49 GLY H 1.0 0.0 5.5 1146 960 A 50 ILE H A 48 LEU HA 1.0 0.0 6.5 1147 961 A 48 LEU HA A 50 ILE HD1% 1.0 0.0 6.5 1148 962 A 49 GLY H A 48 LEU HB2 1.0 0.0 6.5 1149 963 A 50 ILE H A 48 LEU HB2 1.0 0.0 6.5 1150 964 A 48 LEU HB2 A 50 ILE HD1% 1.0 0.0 6.5 1151 965 A 49 GLY H A 48 LEU HB3 1.0 0.0 6.5 1152 966 A 50 ILE H A 48 LEU HB3 1.0 0.0 6.5 1153 967 A 48 LEU HB3 A 50 ILE HD1% 1.0 0.0 6.5 1154 968 A 48 LEU HG A 49 GLY H 1.0 0.0 6.5 1155 969 A 48 LEU HG A 50 ILE HD1% 1.0 0.0 6.5 1156 970 A 48 LEU HG A 50 ILE HG2% 1.0 0.0 6.5 1157 971 A 49 GLY H A 48 LEU HD1% 1.0 0.0 6.5 1158 972 A 62 ALA HA A 48 LEU HD1% 1.0 0.0 6.5 1159 973 A 62 ALA HB% A 48 LEU HD1% 1.0 0.0 6.5 1160 974 A 49 GLY H A 48 LEU HD2% 1.0 0.0 6.5 1161 975 A 62 ALA HA A 48 LEU HD2% 1.0 0.0 6.5 1162 976 A 62 ALA HB% A 48 LEU HD2% 1.0 0.0 6.5 1163 977 A 50 ILE HD1% A 48 LEU HD2% 1.0 0.0 6.5 1164 977 A 50 ILE HD1% A 48 LEU HD1% 1.0 0.0 6.5 1165 978 A 50 ILE HG2% A 48 LEU HD2% 1.0 0.0 6.5 1166 978 A 50 ILE HG2% A 48 LEU HD1% 1.0 0.0 6.5 1167 979 A 49 GLY H A 49 GLY HAx 1.0 0.0 5.0 1168 979 A 49 GLY H A 49 GLY HAy 1.0 0.0 5.0 1169 980 A 49 GLY H A 50 ILE H 1.0 0.0 5.5 1170 981 A 49 GLY H A 50 ILE HG1x 1.0 0.0 6.5 1171 982 A 49 GLY H A 50 ILE HG1y 1.0 0.0 6.5 1172 983 A 49 GLY H A 50 ILE HD1% 1.0 0.0 6.5 1173 984 A 49 GLY H A 50 ILE HG1y 1.0 0.0 6.5 1174 984 A 49 GLY H A 50 ILE HG1x 1.0 0.0 6.5 1175 985 A 49 GLY H A 50 ILE HG2% 1.0 0.0 6.5 1176 986 A 50 ILE H A 49 GLY HAx 1.0 0.0 5.5 1177 986 A 50 ILE H A 49 GLY HAy 1.0 0.0 5.5 1178 987 A 50 ILE H A 50 ILE HB 1.0 0.0 5.5 1179 988 A 50 ILE H A 50 ILE HG1x 1.0 0.0 5.5 1180 989 A 50 ILE H A 50 ILE HG1y 1.0 0.0 6.5 1181 990 A 50 ILE H A 50 ILE HD1% 1.0 0.0 6.5 1182 991 A 50 ILE H A 50 ILE HG1y 1.0 0.0 5.5 1183 991 A 50 ILE H A 50 ILE HG1x 1.0 0.0 5.5 1184 992 A 50 ILE H A 50 ILE HG2% 1.0 0.0 6.5 1185 993 A 50 ILE H A 51 THR H 1.0 0.0 6.5 1186 994 A 51 THR H A 50 ILE HA 1.0 0.0 5.5 1187 995 A 50 ILE HB A 51 THR H 1.0 0.0 6.5 1188 996 A 50 ILE HB A 52 GLY H 1.0 0.0 6.5 1189 997 A 50 ILE HG1x A 51 THR H 1.0 0.0 6.5 1190 998 A 51 THR H A 50 ILE HG1y 1.0 0.0 6.5 1191 999 A 50 ILE HD1% A 51 THR H 1.0 0.0 6.5 1192 1000 A 50 ILE HD1% A 61 ALA H 1.0 0.0 6.5 1193 1001 A 50 ILE HD1% A 61 ALA HA 1.0 0.0 6.5 1194 1002 A 50 ILE HD1% A 61 ALA HB% 1.0 0.0 6.5 1195 1003 A 50 ILE HD1% A 62 ALA H 1.0 0.0 6.5 1196 1004 A 50 ILE HD1% A 62 ALA HA 1.0 0.0 6.5 1197 1005 A 50 ILE HD1% A 62 ALA HB% 1.0 0.0 6.5 1198 1006 A 51 THR H A 50 ILE HG1y 1.0 0.0 6.5 1199 1006 A 50 ILE HG1x A 51 THR H 1.0 0.0 6.5 1200 1007 A 52 GLY H A 50 ILE HG1y 1.0 0.0 6.5 1201 1007 A 50 ILE HG1x A 52 GLY H 1.0 0.0 6.5 1202 1008 A 50 ILE HG2% A 51 THR H 1.0 0.0 6.5 1203 1009 A 50 ILE HG2% A 52 GLY H 1.0 0.0 6.5 1204 1010 A 50 ILE HG2% A 62 ALA H 1.0 0.0 6.5 1205 1011 A 51 THR H A 51 THR HG2% 1.0 0.0 6.5 1206 1012 A 51 THR H A 52 GLY H 1.0 0.0 6.5 1207 1013 A 52 GLY H A 51 THR HA 1.0 0.0 6.5 1208 1014 A 52 GLY H A 51 THR HB 1.0 0.0 6.5 1209 1015 A 52 GLY H A 51 THR HG2% 1.0 0.0 6.5 1210 1016 A 52 GLY H A 53 ASP H 1.0 0.0 6.5 1211 1017 A 52 GLY H A 54 ASP HA 1.0 0.0 6.5 1212 1018 A 52 GLY H A 59 SER HBx 1.0 0.0 5.5 1213 1019 A 52 GLY H A 59 SER HBy 1.0 0.0 6.5 1214 1020 A 52 GLY HA2 A 54 ASP H 1.0 0.0 6.5 1215 1021 A 54 ASP H A 52 GLY HA3 1.0 0.0 6.5 1216 1022 A 53 ASP HBx A 53 ASP H 1.0 0.0 5.5 1217 1023 A 53 ASP H A 53 ASP HBy 1.0 0.0 6.5 1218 1024 A 53 ASP H A 54 ASP H 1.0 0.0 6.5 1219 1025 A 53 ASP H A 59 SER HBx 1.0 0.0 6.5 1220 1026 A 53 ASP H A 59 SER HBy 1.0 0.0 6.5 1221 1027 A 53 ASP HA A 54 ASP H 1.0 0.0 5.5 1222 1028 A 53 ASP HA A 88 LYS H 1.0 0.0 6.5 1223 1029 A 53 ASP HA A 88 LYS HD3 1.0 0.0 6.5 1224 1029 A 53 ASP HA A 88 LYS HD2 1.0 0.0 6.5 1225 1030 A 53 ASP HBx A 54 ASP H 1.0 0.0 6.5 1226 1031 A 54 ASP H A 53 ASP HBy 1.0 0.0 6.5 1227 1032 A 54 ASP H A 54 ASP HBx 1.0 0.0 6.5 1228 1033 A 54 ASP H A 54 ASP HBy 1.0 0.0 6.5 1229 1034 A 54 ASP H A 54 ASP HBy 1.0 0.0 6.5 1230 1034 A 54 ASP H A 54 ASP HBx 1.0 0.0 6.5 1231 1035 A 54 ASP H A 55 TYR H 1.0 0.0 6.5 1232 1036 A 54 ASP H A 56 ASP H 1.0 0.0 6.5 1233 1037 A 54 ASP H A 88 LYS HD2 1.0 0.0 6.5 1234 1038 A 54 ASP H A 88 LYS HGy 1.0 0.0 6.5 1235 1039 A 54 ASP H A 88 LYS HGx 1.0 0.0 6.5 1236 1040 A 54 ASP HA A 56 ASP H 1.0 0.0 6.5 1237 1041 A 54 ASP HA A 57 ASP H 1.0 0.0 6.5 1238 1042 A 54 ASP HA A 58 SER H 1.0 0.0 6.5 1239 1043 A 54 ASP HA A 59 SER H 1.0 0.0 5.5 1240 1044 A 54 ASP HA A 59 SER HA 1.0 0.0 6.5 1241 1045 A 54 ASP HA A 88 LYS H 1.0 0.0 6.5 1242 1046 A 54 ASP HBx A 55 TYR H 1.0 0.0 6.5 1243 1047 A 88 LYS H A 54 ASP HBx 1.0 0.0 6.5 1244 1048 A 55 TYR H A 54 ASP HBy 1.0 0.0 6.5 1245 1049 A 88 LYS H A 54 ASP HBy 1.0 0.0 6.5 1246 1050 A 55 TYR H A 54 ASP HBy 1.0 0.0 6.5 1247 1050 A 54 ASP HBx A 55 TYR H 1.0 0.0 6.5 1248 1051 A 88 LYS H A 54 ASP HBy 1.0 0.0 6.5 1249 1051 A 88 LYS H A 54 ASP HBx 1.0 0.0 6.5 1250 1052 A 55 TYR H A 55 TYR HBx 1.0 0.0 6.5 1251 1053 A 55 TYR H A 55 TYR HBy 1.0 0.0 6.5 1252 1054 A 55 TYR H A 55 TYR HDx 1.0 0.0 6.5 1253 1055 A 55 TYR H A 55 TYR HDy 1.0 0.0 6.5 1254 1056 A 55 TYR H A 56 ASP H 1.0 0.0 6.5 1255 1057 A 55 TYR H A 57 ASP H 1.0 0.0 6.5 1256 1058 A 55 TYR H A 88 LYS HA 1.0 0.0 6.5 1257 1059 A 88 LYS HD2 A 55 TYR H 1.0 0.0 6.5 1258 1060 A 55 TYR H A 88 LYS HD3 1.0 0.0 6.5 1259 1061 A 55 TYR H A 88 LYS HGy 1.0 0.0 6.5 1260 1062 A 55 TYR H A 88 LYS HGx 1.0 0.0 6.5 1261 1063 A 55 TYR H A 88 LYS HE3 1.0 0.0 6.5 1262 1063 A 55 TYR H A 88 LYS HE2 1.0 0.0 6.5 1263 1064 A 57 ASP H A 55 TYR HA 1.0 0.0 6.5 1264 1065 A 55 TYR HA A 57 ASP HA 1.0 0.0 6.5 1265 1066 A 58 SER H A 55 TYR HA 1.0 0.0 6.5 1266 1067 A 56 ASP H A 55 TYR HBx 1.0 0.0 6.5 1267 1068 A 57 ASP H A 55 TYR HBx 1.0 0.0 6.5 1268 1069 A 58 SER H A 55 TYR HBx 1.0 0.0 6.5 1269 1070 A 89 PHE H A 55 TYR HBx 1.0 0.0 6.5 1270 1071 A 90 THR H A 55 TYR HBx 1.0 0.0 6.5 1271 1072 A 90 THR HG2% A 55 TYR HBx 1.0 0.0 6.5 1272 1073 A 101 MET H A 55 TYR HBy 1.0 0.0 6.5 1273 1074 A 56 ASP H A 55 TYR HBy 1.0 0.0 5.0 1274 1075 A 57 ASP H A 55 TYR HBy 1.0 0.0 6.5 1275 1076 A 58 SER H A 55 TYR HBy 1.0 0.0 6.5 1276 1077 A 89 PHE H A 55 TYR HBy 1.0 0.0 6.5 1277 1078 A 90 THR H A 55 TYR HBy 1.0 0.0 6.5 1278 1079 A 90 THR HG2% A 55 TYR HBy 1.0 0.0 6.5 1279 1080 A 56 ASP H A 55 TYR HDx 1.0 0.0 6.5 1280 1081 A 56 ASP H A 55 TYR HDy 1.0 0.0 6.5 1281 1082 A 55 TYR HBx A 58 SER HBy 1.0 0.0 6.5 1282 1082 A 55 TYR HBy A 58 SER HBy 1.0 0.0 6.5 1283 1082 A 58 SER HBx A 55 TYR HBy 1.0 0.0 6.5 1284 1082 A 55 TYR HBx A 58 SER HBx 1.0 0.0 6.5 1285 1083 A 56 ASP H A 56 ASP HBy 1.0 0.0 5.5 1286 1083 A 56 ASP H A 56 ASP HBx 1.0 0.0 5.5 1287 1084 A 56 ASP H A 57 ASP H 1.0 0.0 6.5 1288 1085 A 88 LYS HD2 A 56 ASP HBx 1.0 0.0 6.5 1289 1086 A 56 ASP HBx A 88 LYS HD3 1.0 0.0 6.5 1290 1087 A 88 LYS HD2 A 56 ASP HBy 1.0 0.0 6.5 1291 1088 A 56 ASP HBy A 88 LYS HD3 1.0 0.0 6.5 1292 1089 A 57 ASP H A 56 ASP HBy 1.0 0.0 6.5 1293 1089 A 57 ASP H A 56 ASP HBx 1.0 0.0 6.5 1294 1090 A 58 SER H A 56 ASP HBy 1.0 0.0 6.5 1295 1090 A 58 SER H A 56 ASP HBx 1.0 0.0 6.5 1296 1091 A 58 SER HA A 56 ASP HBy 1.0 0.0 6.5 1297 1091 A 56 ASP HBx A 58 SER HA 1.0 0.0 6.5 1298 1092 A 57 ASP H A 58 SER H 1.0 0.0 5.5 1299 1093 A 57 ASP H A 59 SER H 1.0 0.0 6.5 1300 1094 A 57 ASP H A 89 PHE HA 1.0 0.0 6.5 1301 1095 A 57 ASP H A 90 THR HG2% 1.0 0.0 6.5 1302 1096 A 59 SER H A 57 ASP HA 1.0 0.0 6.5 1303 1097 A 58 SER H A 57 ASP HBx 1.0 0.0 6.5 1304 1098 A 58 SER H A 57 ASP HBy 1.0 0.0 6.5 1305 1099 A 57 ASP HBx A 88 LYS HD3 1.0 0.0 6.5 1306 1099 A 57 ASP HBy A 88 LYS HD3 1.0 0.0 6.5 1307 1099 A 88 LYS HD2 A 57 ASP HBy 1.0 0.0 6.5 1308 1099 A 88 LYS HD2 A 57 ASP HBx 1.0 0.0 6.5 1309 1100 A 58 SER H A 59 SER H 1.0 0.0 6.5 1310 1101 A 58 SER H A 60 LYS H 1.0 0.0 6.5 1311 1102 A 58 SER H A 89 PHE HA 1.0 0.0 6.5 1312 1103 A 58 SER HA A 60 LYS H 1.0 0.0 6.5 1313 1104 A 59 SER H A 58 SER HBx 1.0 0.0 6.5 1314 1105 A 59 SER H A 58 SER HBy 1.0 0.0 6.5 1315 1106 A 60 LYS H A 58 SER HBy 1.0 0.0 6.5 1316 1106 A 58 SER HBx A 60 LYS H 1.0 0.0 6.5 1317 1107 A 59 SER H A 60 LYS H 1.0 0.0 6.5 1318 1108 A 59 SER H A 60 LYS HDy 1.0 0.0 6.5 1319 1108 A 59 SER H A 60 LYS HDx 1.0 0.0 6.5 1320 1109 A 61 ALA H A 59 SER H 1.0 0.0 6.5 1321 1110 A 61 ALA H A 59 SER HA 1.0 0.0 6.5 1322 1111 A 62 ALA HB% A 59 SER HA 1.0 0.0 6.5 1323 1112 A 59 SER HBx A 60 LYS H 1.0 0.0 6.5 1324 1113 A 59 SER HBy A 60 LYS H 1.0 0.0 6.5 1325 1114 A 60 LYS H A 151 HIS HD2 1.0 0.0 6.5 1326 1115 A 60 LYS H A 60 LYS HB2 1.0 0.0 6.5 1327 1116 A 60 LYS H A 60 LYS HB3 1.0 0.0 6.5 1328 1117 A 60 LYS H A 60 LYS HDx 1.0 0.0 6.5 1329 1118 A 60 LYS H A 60 LYS HDy 1.0 0.0 6.5 1330 1119 A 60 LYS H A 60 LYS HE2 1.0 0.0 6.5 1331 1120 A 60 LYS H A 60 LYS HE3 1.0 0.0 6.5 1332 1121 A 60 LYS H A 60 LYS HG2 1.0 0.0 6.5 1333 1122 A 60 LYS H A 60 LYS HG3 1.0 0.0 6.5 1334 1123 A 61 ALA H A 60 LYS H 1.0 0.0 6.5 1335 1124 A 62 ALA H A 60 LYS H 1.0 0.0 6.5 1336 1125 A 60 LYS H A 63 PHE H 1.0 0.0 6.5 1337 1126 A 62 ALA H A 60 LYS HA 1.0 0.0 6.5 1338 1127 A 63 PHE H A 60 LYS HA 1.0 0.0 6.5 1339 1128 A 60 LYS HA A 64 ASP H 1.0 0.0 6.5 1340 1129 A 60 LYS HDx A 63 PHE H 1.0 0.0 6.5 1341 1130 A 63 PHE H A 60 LYS HDy 1.0 0.0 6.5 1342 1131 A 61 ALA H A 60 LYS HE2 1.0 0.0 6.5 1343 1132 A 61 ALA H A 60 LYS HE3 1.0 0.0 6.5 1344 1133 A 151 HIS H A 60 LYS HG2 1.0 0.0 6.5 1345 1134 A 151 HIS HBx A 60 LYS HG2 1.0 0.0 6.5 1346 1135 A 60 LYS HG2 A 151 HIS HBy 1.0 0.0 5.5 1347 1136 A 152 LYS H A 60 LYS HG2 1.0 0.0 6.5 1348 1137 A 61 ALA H A 60 LYS HG2 1.0 0.0 6.5 1349 1138 A 151 HIS H A 60 LYS HG3 1.0 0.0 6.5 1350 1139 A 60 LYS HG3 A 151 HIS HBx 1.0 0.0 5.5 1351 1140 A 60 LYS HG3 A 151 HIS HBy 1.0 0.0 5.5 1352 1141 A 152 LYS H A 60 LYS HG3 1.0 0.0 6.5 1353 1142 A 61 ALA H A 60 LYS HG3 1.0 0.0 6.5 1354 1143 A 61 ALA H A 60 LYS HDy 1.0 0.0 5.5 1355 1143 A 61 ALA H A 60 LYS HDx 1.0 0.0 5.5 1356 1144 A 151 HIS HA A 60 LYS HG2 1.0 0.0 6.5 1357 1144 A 60 LYS HG3 A 151 HIS HA 1.0 0.0 6.5 1358 1145 A 61 ALA H A 60 LYS HG2 1.0 0.0 6.5 1359 1145 A 61 ALA H A 60 LYS HG3 1.0 0.0 6.5 1360 1146 A 62 ALA H A 60 LYS HG2 1.0 0.0 6.5 1361 1146 A 62 ALA H A 60 LYS HG3 1.0 0.0 6.5 1362 1147 A 63 PHE H A 60 LYS HG2 1.0 0.0 6.5 1363 1147 A 63 PHE H A 60 LYS HG3 1.0 0.0 6.5 1364 1148 A 61 ALA H A 151 HIS HD2 1.0 0.0 6.5 1365 1149 A 61 ALA H A 61 ALA HB% 1.0 0.0 6.5 1366 1150 A 61 ALA H A 62 ALA H 1.0 0.0 5.5 1367 1151 A 61 ALA H A 63 PHE H 1.0 0.0 6.5 1368 1152 A 61 ALA H A 64 ASP H 1.0 0.0 6.5 1369 1153 A 61 ALA HA A 62 ALA H 1.0 0.0 5.5 1370 1154 A 61 ALA HA A 63 PHE H 1.0 0.0 6.5 1371 1155 A 61 ALA HA A 64 ASP H 1.0 0.0 6.5 1372 1156 A 61 ALA HA A 64 ASP HBx 1.0 0.0 6.5 1373 1157 A 61 ALA HA A 64 ASP HBy 1.0 0.0 6.5 1374 1158 A 61 ALA HA A 64 ASP HBy 1.0 0.0 5.5 1375 1158 A 61 ALA HA A 64 ASP HBx 1.0 0.0 5.5 1376 1159 A 61 ALA HA A 65 LYS H 1.0 0.0 6.5 1377 1160 A 61 ALA HB% A 62 ALA H 1.0 0.0 6.5 1378 1161 A 61 ALA HB% A 64 ASP H 1.0 0.0 6.5 1379 1162 A 61 ALA HB% A 65 LYS H 1.0 0.0 6.5 1380 1163 A 62 ALA H A 151 HIS HD2 1.0 0.0 6.5 1381 1164 A 62 ALA HA A 62 ALA H 1.0 0.0 5.5 1382 1165 A 62 ALA HB% A 62 ALA H 1.0 0.0 6.5 1383 1166 A 62 ALA H A 63 PHE H 1.0 0.0 6.5 1384 1167 A 62 ALA H A 64 ASP H 1.0 0.0 6.5 1385 1168 A 62 ALA HA A 65 LYS H 1.0 0.0 6.5 1386 1169 A 62 ALA HA A 66 PHE H 1.0 0.0 6.5 1387 1170 A 62 ALA HB% A 63 PHE H 1.0 0.0 6.5 1388 1171 A 62 ALA HB% A 65 LYS H 1.0 0.0 6.5 1389 1172 A 62 ALA HB% A 66 PHE H 1.0 0.0 6.5 1390 1173 A 151 HIS HD2 A 63 PHE H 1.0 0.0 6.5 1391 1174 A 63 PHE H A 63 PHE HBx 1.0 0.0 6.5 1392 1175 A 63 PHE H A 63 PHE HBy 1.0 0.0 6.5 1393 1176 A 63 PHE H A 63 PHE HD1 1.0 0.0 6.5 1394 1177 A 63 PHE H A 63 PHE HD2 1.0 0.0 6.5 1395 1178 A 63 PHE H A 63 PHE HEx 1.0 0.0 6.5 1396 1179 A 63 PHE H A 63 PHE HEy 1.0 0.0 6.5 1397 1180 A 63 PHE H A 64 ASP H 1.0 0.0 6.5 1398 1181 A 63 PHE H A 65 LYS H 1.0 0.0 6.5 1399 1182 A 65 LYS H A 63 PHE HA 1.0 0.0 6.5 1400 1183 A 66 PHE H A 63 PHE HA 1.0 0.0 6.5 1401 1184 A 63 PHE HA A 67 VAL H 1.0 0.0 6.5 1402 1185 A 64 ASP H A 63 PHE HBx 1.0 0.0 6.5 1403 1186 A 66 PHE H A 63 PHE HBx 1.0 0.0 6.5 1404 1187 A 67 VAL H A 63 PHE HBx 1.0 0.0 6.5 1405 1188 A 64 ASP H A 63 PHE HBy 1.0 0.0 6.5 1406 1189 A 66 PHE H A 63 PHE HBy 1.0 0.0 6.5 1407 1190 A 67 VAL H A 63 PHE HBy 1.0 0.0 6.5 1408 1191 A 151 HIS H A 63 PHE HD1 1.0 0.0 6.5 1409 1192 A 66 PHE H A 63 PHE HD2 1.0 0.0 6.5 1410 1193 A 64 ASP H A 63 PHE HBy 1.0 0.0 5.5 1411 1193 A 64 ASP H A 63 PHE HBx 1.0 0.0 5.5 1412 1194 A 65 LYS H A 63 PHE HBy 1.0 0.0 6.5 1413 1194 A 65 LYS H A 63 PHE HBx 1.0 0.0 6.5 1414 1195 A 66 PHE H A 63 PHE HBy 1.0 0.0 6.5 1415 1195 A 66 PHE H A 63 PHE HBx 1.0 0.0 6.5 1416 1196 A 67 VAL H A 63 PHE O 1.0 0.0 4.0 1417 1197 A 63 PHE O A 67 VAL N 1.0 0.0 4.5 1418 1198 A 64 ASP O A 68 GLU H 1.0 0.0 4.0 1419 1199 A 64 ASP O A 68 GLU N 1.0 0.0 4.5 1420 1200 A 65 LYS O A 69 ASP H 1.0 0.0 4.0 1421 1201 A 65 LYS O A 69 ASP N 1.0 0.0 4.5 1422 1202 A 151 HIS HD2 A 64 ASP H 1.0 0.0 6.5 1423 1203 A 64 ASP H A 151 HIS HE1 1.0 0.0 6.5 1424 1204 A 64 ASP H A 64 ASP HBx 1.0 0.0 5.5 1425 1205 A 64 ASP H A 64 ASP HBy 1.0 0.0 5.5 1426 1206 A 64 ASP H A 64 ASP HBy 1.0 0.0 5.5 1427 1206 A 64 ASP H A 64 ASP HBx 1.0 0.0 5.5 1428 1207 A 64 ASP H A 65 LYS H 1.0 0.0 5.5 1429 1208 A 64 ASP H A 66 PHE H 1.0 0.0 6.5 1430 1209 A 66 PHE H A 64 ASP HA 1.0 0.0 6.5 1431 1210 A 67 VAL H A 64 ASP HA 1.0 0.0 6.5 1432 1211 A 64 ASP HA A 67 VAL HA 1.0 0.0 6.5 1433 1212 A 68 GLU H A 64 ASP HA 1.0 0.0 6.5 1434 1213 A 65 LYS H A 64 ASP HBy 1.0 0.0 6.5 1435 1213 A 64 ASP HBx A 65 LYS H 1.0 0.0 6.5 1436 1214 A 65 LYS H A 65 LYS HBx 1.0 0.0 6.5 1437 1215 A 65 LYS H A 65 LYS HBy 1.0 0.0 6.5 1438 1216 A 65 LYS H A 65 LYS HD2 1.0 0.0 6.5 1439 1217 A 65 LYS H A 65 LYS HD3 1.0 0.0 6.5 1440 1218 A 65 LYS H A 65 LYS HE2 1.0 0.0 6.5 1441 1219 A 65 LYS H A 65 LYS HE3 1.0 0.0 6.5 1442 1220 A 65 LYS H A 65 LYS HG2 1.0 0.0 6.5 1443 1221 A 65 LYS H A 65 LYS HG3 1.0 0.0 6.5 1444 1222 A 65 LYS H A 65 LYS HG2 1.0 0.0 5.5 1445 1222 A 65 LYS H A 65 LYS HG3 1.0 0.0 5.5 1446 1223 A 65 LYS H A 66 PHE H 1.0 0.0 6.5 1447 1224 A 65 LYS H A 67 VAL H 1.0 0.0 6.5 1448 1225 A 67 VAL H A 65 LYS HA 1.0 0.0 6.5 1449 1226 A 68 GLU H A 65 LYS HA 1.0 0.0 6.5 1450 1227 A 69 ASP H A 65 LYS HA 1.0 0.0 6.5 1451 1228 A 66 PHE H A 65 LYS HBx 1.0 0.0 6.5 1452 1229 A 66 PHE H A 65 LYS HBy 1.0 0.0 6.5 1453 1230 A 66 PHE H A 65 LYS HD2 1.0 0.0 6.5 1454 1231 A 66 PHE H A 65 LYS HD3 1.0 0.0 6.5 1455 1232 A 66 PHE H A 65 LYS HG2 1.0 0.0 6.5 1456 1233 A 66 PHE H A 65 LYS HG3 1.0 0.0 6.5 1457 1234 A 66 PHE H A 65 LYS HG2 1.0 0.0 6.5 1458 1234 A 66 PHE H A 65 LYS HG3 1.0 0.0 6.5 1459 1235 A 66 PHE H A 66 PHE HBx 1.0 0.0 6.5 1460 1236 A 66 PHE H A 66 PHE HBy 1.0 0.0 6.5 1461 1237 A 66 PHE H A 66 PHE HDx 1.0 0.0 6.5 1462 1238 A 66 PHE H A 66 PHE HDy 1.0 0.0 6.5 1463 1239 A 66 PHE H A 66 PHE HEx 1.0 0.0 6.5 1464 1240 A 66 PHE H A 66 PHE HEy 1.0 0.0 6.5 1465 1241 A 66 PHE H A 66 PHE HBy 1.0 0.0 5.5 1466 1241 A 66 PHE H A 66 PHE HBx 1.0 0.0 5.5 1467 1242 A 66 PHE H A 67 VAL H 1.0 0.0 6.5 1468 1243 A 66 PHE H A 68 GLU H 1.0 0.0 6.5 1469 1244 A 69 ASP H A 66 PHE HA 1.0 0.0 6.5 1470 1245 A 66 PHE HA A 70 VAL H 1.0 0.0 6.5 1471 1246 A 67 VAL H A 66 PHE HBx 1.0 0.0 6.5 1472 1247 A 67 VAL H A 66 PHE HBy 1.0 0.0 6.5 1473 1248 A 67 VAL H A 146 GLU HB2 1.0 0.0 6.5 1474 1249 A 67 VAL H A 146 GLU HBy 1.0 0.0 6.5 1475 1250 A 67 VAL H A 146 GLU HBy 1.0 0.0 6.5 1476 1250 A 67 VAL H A 146 GLU HB2 1.0 0.0 6.5 1477 1251 A 67 VAL H A 67 VAL HB 1.0 0.0 6.5 1478 1252 A 67 VAL H A 67 VAL HG1% 1.0 0.0 6.5 1479 1253 A 67 VAL H A 67 VAL HG2% 1.0 0.0 6.5 1480 1254 A 67 VAL H A 68 GLU H 1.0 0.0 6.5 1481 1255 A 67 VAL H A 69 ASP H 1.0 0.0 6.5 1482 1256 A 69 ASP H A 67 VAL HA 1.0 0.0 6.5 1483 1257 A 67 VAL HA A 70 VAL H 1.0 0.0 5.5 1484 1258 A 67 VAL HA A 70 VAL HA 1.0 0.0 6.5 1485 1259 A 67 VAL HA A 70 VAL HB 1.0 0.0 6.5 1486 1260 A 67 VAL HA A 70 VAL HG2% 1.0 0.0 6.5 1487 1260 A 67 VAL HA A 70 VAL HG1% 1.0 0.0 6.5 1488 1261 A 67 VAL HA A 71 LYS H 1.0 0.0 6.5 1489 1262 A 68 GLU H A 67 VAL HB 1.0 0.0 6.5 1490 1263 A 67 VAL HB A 70 VAL HG1% 1.0 0.0 6.5 1491 1264 A 67 VAL HB A 70 VAL HG2% 1.0 0.0 6.5 1492 1265 A 68 GLU H A 67 VAL HG1% 1.0 0.0 6.5 1493 1266 A 70 VAL H A 67 VAL HG1% 1.0 0.0 6.5 1494 1267 A 71 LYS H A 67 VAL HG1% 1.0 0.0 6.5 1495 1268 A 68 GLU H A 67 VAL HG2% 1.0 0.0 6.5 1496 1269 A 70 VAL H A 67 VAL HG2% 1.0 0.0 6.5 1497 1270 A 71 LYS H A 67 VAL HG2% 1.0 0.0 6.5 1498 1271 A 149 MET H A 67 VAL HG2% 1.0 0.0 6.5 1499 1271 A 67 VAL HG1% A 149 MET H 1.0 0.0 6.5 1500 1272 A 150 SER H A 67 VAL HG2% 1.0 0.0 6.5 1501 1272 A 67 VAL HG1% A 150 SER H 1.0 0.0 6.5 1502 1273 A 151 HIS H A 67 VAL HG2% 1.0 0.0 6.5 1503 1273 A 151 HIS H A 67 VAL HG1% 1.0 0.0 6.5 1504 1274 A 68 GLU H A 68 GLU HB2 1.0 0.0 6.5 1505 1275 A 68 GLU H A 68 GLU HB3 1.0 0.0 6.5 1506 1276 A 68 GLU H A 68 GLU HGx 1.0 0.0 5.5 1507 1277 A 68 GLU H A 68 GLU HGy 1.0 0.0 5.5 1508 1278 A 68 GLU H A 69 ASP H 1.0 0.0 5.5 1509 1279 A 68 GLU H A 70 VAL H 1.0 0.0 6.5 1510 1280 A 68 GLU H A 70 VAL HB 1.0 0.0 6.5 1511 1281 A 70 VAL H A 68 GLU HA 1.0 0.0 6.5 1512 1282 A 71 LYS H A 68 GLU HA 1.0 0.0 6.5 1513 1283 A 68 GLU HA A 72 SER H 1.0 0.0 6.5 1514 1284 A 69 ASP H A 68 GLU HB2 1.0 0.0 5.5 1515 1285 A 71 LYS H A 68 GLU HB2 1.0 0.0 6.5 1516 1286 A 68 GLU HB2 A 72 SER H 1.0 0.0 6.5 1517 1287 A 69 ASP H A 68 GLU HB3 1.0 0.0 6.5 1518 1288 A 71 LYS H A 68 GLU HB3 1.0 0.0 6.5 1519 1289 A 68 GLU HB3 A 72 SER H 1.0 0.0 6.5 1520 1290 A 69 ASP H A 68 GLU HGx 1.0 0.0 6.5 1521 1291 A 71 LYS H A 68 GLU HGx 1.0 0.0 6.5 1522 1292 A 69 ASP H A 68 GLU HGy 1.0 0.0 6.5 1523 1293 A 71 LYS H A 68 GLU HGy 1.0 0.0 6.5 1524 1294 A 69 ASP H A 68 GLU HGx 1.0 0.0 6.5 1525 1294 A 69 ASP H A 68 GLU HGy 1.0 0.0 6.5 1526 1295 A 69 ASP H A 69 ASP HBx 1.0 0.0 5.5 1527 1296 A 69 ASP H A 69 ASP HBy 1.0 0.0 6.5 1528 1297 A 69 ASP H A 70 VAL H 1.0 0.0 5.5 1529 1298 A 69 ASP H A 70 VAL HB 1.0 0.0 6.5 1530 1299 A 69 ASP H A 71 LYS H 1.0 0.0 6.5 1531 1300 A 71 LYS H A 69 ASP HA 1.0 0.0 6.5 1532 1301 A 72 SER H A 69 ASP HA 1.0 0.0 5.5 1533 1302 A 69 ASP HA A 73 ARG H 1.0 0.0 6.5 1534 1303 A 70 VAL H A 69 ASP HBx 1.0 0.0 6.5 1535 1304 A 70 VAL H A 69 ASP HBy 1.0 0.0 6.5 1536 1305 A 70 VAL H A 69 ASP HBy 1.0 0.0 5.5 1537 1305 A 70 VAL H A 69 ASP HBx 1.0 0.0 5.5 1538 1306 A 72 SER H A 69 ASP HBy 1.0 0.0 6.5 1539 1306 A 72 SER H A 69 ASP HBx 1.0 0.0 6.5 1540 1307 A 73 ARG H A 69 ASP HBy 1.0 0.0 6.5 1541 1307 A 73 ARG H A 69 ASP HBx 1.0 0.0 6.5 1542 1308 A 70 VAL H A 70 VAL HB 1.0 0.0 5.5 1543 1309 A 70 VAL H A 70 VAL HG1% 1.0 0.0 6.5 1544 1310 A 70 VAL H A 70 VAL HG2% 1.0 0.0 6.5 1545 1311 A 70 VAL H A 70 VAL HG2% 1.0 0.0 6.5 1546 1311 A 70 VAL H A 70 VAL HG1% 1.0 0.0 6.5 1547 1312 A 70 VAL H A 71 LYS H 1.0 0.0 6.5 1548 1313 A 70 VAL H A 72 SER H 1.0 0.0 6.5 1549 1314 A 70 VAL HA A 72 SER H 1.0 0.0 6.5 1550 1315 A 70 VAL HA A 73 ARG H 1.0 0.0 6.5 1551 1316 A 70 VAL HA A 73 ARG HGy 1.0 0.0 5.0 1552 1316 A 70 VAL HA A 73 ARG HGx 1.0 0.0 5.0 1553 1317 A 70 VAL HG1% A 71 LYS H 1.0 0.0 6.5 1554 1318 A 71 LYS H A 70 VAL HG2% 1.0 0.0 6.5 1555 1319 A 71 LYS H A 70 VAL HG2% 1.0 0.0 6.5 1556 1319 A 70 VAL HG1% A 71 LYS H 1.0 0.0 6.5 1557 1320 A 73 ARG H A 70 VAL HG2% 1.0 0.0 6.5 1558 1320 A 70 VAL HG1% A 73 ARG H 1.0 0.0 6.5 1559 1321 A 71 LYS H A 71 LYS HBx 1.0 0.0 6.5 1560 1322 A 71 LYS H A 71 LYS HBy 1.0 0.0 6.5 1561 1323 A 71 LYS H A 71 LYS HD2 1.0 0.0 6.5 1562 1324 A 71 LYS H A 71 LYS HD3 1.0 0.0 6.5 1563 1325 A 71 LYS H A 71 LYS HE2 1.0 0.0 6.5 1564 1326 A 71 LYS H A 71 LYS HE3 1.0 0.0 6.5 1565 1327 A 71 LYS H A 71 LYS HGx 1.0 0.0 5.5 1566 1328 A 71 LYS H A 71 LYS HGy 1.0 0.0 5.5 1567 1329 A 71 LYS H A 72 SER H 1.0 0.0 5.5 1568 1330 A 71 LYS H A 73 ARG H 1.0 0.0 6.5 1569 1331 A 73 ARG H A 71 LYS HA 1.0 0.0 6.5 1570 1332 A 71 LYS HA A 74 THR H 1.0 0.0 6.5 1571 1333 A 71 LYS HA A 75 ASP H 1.0 0.0 6.5 1572 1334 A 72 SER H A 71 LYS HBx 1.0 0.0 6.5 1573 1335 A 71 LYS HBx A 74 THR H 1.0 0.0 6.5 1574 1336 A 72 SER H A 71 LYS HBy 1.0 0.0 6.5 1575 1337 A 71 LYS HBy A 74 THR H 1.0 0.0 6.5 1576 1338 A 72 SER H A 71 LYS HD2 1.0 0.0 6.5 1577 1339 A 72 SER H A 71 LYS HD3 1.0 0.0 6.5 1578 1340 A 72 SER H A 71 LYS HE2 1.0 0.0 6.5 1579 1341 A 72 SER H A 71 LYS HE3 1.0 0.0 6.5 1580 1342 A 72 SER H A 71 LYS HGx 1.0 0.0 6.5 1581 1343 A 72 SER H A 71 LYS HGy 1.0 0.0 6.5 1582 1344 A 72 SER H A 72 SER HB2 1.0 0.0 5.5 1583 1345 A 72 SER H A 72 SER HB3 1.0 0.0 5.5 1584 1346 A 72 SER H A 73 ARG H 1.0 0.0 5.5 1585 1347 A 72 SER H A 74 THR H 1.0 0.0 6.5 1586 1348 A 73 ARG H A 72 SER HB2 1.0 0.0 6.5 1587 1349 A 73 ARG H A 72 SER HB3 1.0 0.0 6.5 1588 1350 A 73 ARG H A 73 ARG HB2 1.0 0.0 6.5 1589 1351 A 73 ARG H A 73 ARG HB3 1.0 0.0 6.5 1590 1352 A 73 ARG H A 73 ARG HD2 1.0 0.0 6.5 1591 1353 A 73 ARG H A 73 ARG HD3 1.0 0.0 6.5 1592 1354 A 73 ARG H A 73 ARG HGx 1.0 0.0 6.5 1593 1355 A 73 ARG H A 73 ARG HGy 1.0 0.0 6.5 1594 1356 A 73 ARG H A 74 THR H 1.0 0.0 6.5 1595 1357 A 73 ARG H A 75 ASP H 1.0 0.0 6.5 1596 1358 A 74 THR H A 73 ARG HB2 1.0 0.0 6.5 1597 1359 A 74 THR H A 73 ARG HB3 1.0 0.0 6.5 1598 1360 A 74 THR H A 73 ARG HD2 1.0 0.0 6.5 1599 1361 A 74 THR H A 73 ARG HD3 1.0 0.0 6.5 1600 1362 A 73 ARG HGx A 74 THR H 1.0 0.0 6.5 1601 1363 A 74 THR H A 73 ARG HGy 1.0 0.0 6.5 1602 1364 A 74 THR H A 74 THR HB 1.0 0.0 6.5 1603 1365 A 74 THR H A 74 THR HG2% 1.0 0.0 6.5 1604 1366 A 74 THR H A 75 ASP H 1.0 0.0 5.5 1605 1367 A 74 THR H A 75 ASP HBy 1.0 0.0 6.5 1606 1367 A 74 THR H A 75 ASP HBx 1.0 0.0 6.5 1607 1368 A 74 THR H A 76 ASN H 1.0 0.0 6.5 1608 1369 A 75 ASP H A 74 THR HA 1.0 0.0 5.5 1609 1370 A 74 THR HA A 77 LEU H 1.0 0.0 6.5 1610 1371 A 74 THR HA A 79 ASP HA 1.0 0.0 6.5 1611 1372 A 74 THR HA A 79 ASP HBx 1.0 0.0 6.5 1612 1373 A 74 THR HA A 79 ASP HBy 1.0 0.0 6.5 1613 1374 A 74 THR HA A 79 ASP HBy 1.0 0.0 6.5 1614 1374 A 74 THR HA A 79 ASP HBx 1.0 0.0 6.5 1615 1375 A 75 ASP H A 74 THR HB 1.0 0.0 6.5 1616 1376 A 74 THR HB A 77 LEU H 1.0 0.0 6.5 1617 1377 A 74 THR HB A 78 THR H 1.0 0.0 6.5 1618 1378 A 75 ASP H A 74 THR HG2% 1.0 0.0 6.5 1619 1379 A 74 THR HG2% A 77 LEU H 1.0 0.0 6.5 1620 1380 A 74 THR HG2% A 78 THR H 1.0 0.0 6.5 1621 1381 A 75 ASP H A 75 ASP HA 1.0 0.0 5.0 1622 1382 A 75 ASP H A 75 ASP HBx 1.0 0.0 5.5 1623 1383 A 75 ASP H A 75 ASP HBy 1.0 0.0 6.5 1624 1384 A 75 ASP H A 76 ASN H 1.0 0.0 5.5 1625 1385 A 75 ASP H A 76 ASN HA 1.0 0.0 6.5 1626 1386 A 76 ASN H A 75 ASP HA 1.0 0.0 6.5 1627 1387 A 76 ASN H A 75 ASP HBy 1.0 0.0 6.5 1628 1387 A 75 ASP HBx A 76 ASN H 1.0 0.0 6.5 1629 1388 A 78 THR H A 75 ASP HBy 1.0 0.0 6.5 1630 1388 A 75 ASP HBx A 78 THR H 1.0 0.0 6.5 1631 1389 A 76 ASN H A 76 ASN HBx 1.0 0.0 6.5 1632 1390 A 76 ASN H A 76 ASN HBy 1.0 0.0 6.5 1633 1391 A 76 ASN H A 77 LEU H 1.0 0.0 6.5 1634 1392 A 76 ASN H A 77 LEU HA 1.0 0.0 6.5 1635 1393 A 76 ASN H A 78 THR H 1.0 0.0 6.5 1636 1394 A 77 LEU H A 76 ASN HBx 1.0 0.0 6.5 1637 1395 A 77 LEU H A 76 ASN HBy 1.0 0.0 6.5 1638 1396 A 77 LEU H A 76 ASN HBy 1.0 0.0 6.5 1639 1396 A 77 LEU H A 76 ASN HBx 1.0 0.0 6.5 1640 1397 A 77 LEU H A 77 LEU HG 1.0 0.0 6.5 1641 1398 A 77 LEU H A 77 LEU HD1% 1.0 0.0 6.5 1642 1399 A 77 LEU H A 77 LEU HD2% 1.0 0.0 6.5 1643 1400 A 77 LEU H A 77 LEU HD2% 1.0 0.0 6.5 1644 1400 A 77 LEU H A 77 LEU HD1% 1.0 0.0 6.5 1645 1401 A 77 LEU H A 78 THR H 1.0 0.0 6.5 1646 1402 A 77 LEU H A 79 ASP H 1.0 0.0 6.5 1647 1403 A 78 THR H A 77 LEU HBx 1.0 0.0 6.5 1648 1404 A 78 THR H A 77 LEU HBy 1.0 0.0 6.5 1649 1405 A 78 THR H A 77 LEU HG 1.0 0.0 6.5 1650 1406 A 78 THR H A 77 LEU HD1% 1.0 0.0 6.5 1651 1407 A 78 THR H A 77 LEU HD2% 1.0 0.0 6.5 1652 1408 A 78 THR H A 77 LEU HD2% 1.0 0.0 6.5 1653 1408 A 78 THR H A 77 LEU HD1% 1.0 0.0 6.5 1654 1409 A 78 THR H A 78 THR HB 1.0 0.0 6.5 1655 1410 A 78 THR H A 78 THR HG2% 1.0 0.0 6.5 1656 1411 A 78 THR H A 79 ASP H 1.0 0.0 5.5 1657 1412 A 78 THR H A 79 ASP HBy 1.0 0.0 6.5 1658 1412 A 79 ASP HBx A 78 THR H 1.0 0.0 6.5 1659 1413 A 79 ASP H A 78 THR HB 1.0 0.0 6.5 1660 1414 A 79 ASP H A 78 THR HG2% 1.0 0.0 6.5 1661 1415 A 79 ASP H A 79 ASP HBy 1.0 0.0 6.5 1662 1415 A 79 ASP HBx A 79 ASP H 1.0 0.0 6.5 1663 1416 A 79 ASP H A 80 CYS H 1.0 0.0 6.5 1664 1417 A 79 ASP HA A 80 CYS H 1.0 0.0 5.5 1665 1418 A 79 ASP HBx A 80 CYS H 1.0 0.0 6.5 1666 1419 A 80 CYS H A 79 ASP HBy 1.0 0.0 6.5 1667 1420 A 80 CYS H A 79 ASP HBy 1.0 0.0 5.5 1668 1420 A 79 ASP HBx A 80 CYS H 1.0 0.0 5.5 1669 1421 A 80 CYS H A 81 ARG H 1.0 0.0 6.5 1670 1422 A 80 CYS HA A 109 ILE H 1.0 0.0 6.5 1671 1423 A 109 ILE H A 80 CYS HBx 1.0 0.0 6.5 1672 1424 A 81 ARG H A 80 CYS HBx 1.0 0.0 6.5 1673 1425 A 109 ILE H A 80 CYS HBy 1.0 0.0 6.5 1674 1426 A 81 ARG H A 80 CYS HBy 1.0 0.0 6.5 1675 1427 A 109 ILE H A 80 CYS HBy 1.0 0.0 6.5 1676 1427 A 109 ILE H A 80 CYS HBx 1.0 0.0 6.5 1677 1428 A 110 CYS H A 80 CYS HBy 1.0 0.0 6.5 1678 1428 A 80 CYS HBx A 110 CYS H 1.0 0.0 6.5 1679 1429 A 81 ARG H A 80 CYS HBy 1.0 0.0 5.5 1680 1429 A 81 ARG H A 80 CYS HBx 1.0 0.0 5.5 1681 1430 A 81 ARG H A 108 GLN HA 1.0 0.0 6.5 1682 1431 A 81 ARG H A 109 ILE H 1.0 0.0 6.5 1683 1432 A 81 ARG H A 109 ILE HD1% 1.0 0.0 6.5 1684 1433 A 81 ARG H A 109 ILE HG1y 1.0 0.0 6.5 1685 1433 A 81 ARG H A 109 ILE HG1x 1.0 0.0 6.5 1686 1434 A 81 ARG HA A 81 ARG H 1.0 0.0 5.5 1687 1435 A 81 ARG HBx A 81 ARG H 1.0 0.0 6.5 1688 1436 A 81 ARG H A 81 ARG HBy 1.0 0.0 6.5 1689 1437 A 81 ARG HD2 A 81 ARG H 1.0 0.0 6.5 1690 1438 A 81 ARG H A 81 ARG HD3 1.0 0.0 6.5 1691 1439 A 81 ARG H A 81 ARG HG2 1.0 0.0 6.5 1692 1440 A 81 ARG H A 81 ARG HG3 1.0 0.0 6.5 1693 1441 A 82 TYR H A 81 ARG H 1.0 0.0 6.5 1694 1442 A 81 ARG HBx A 109 ILE H 1.0 0.0 6.5 1695 1443 A 82 TYR H A 81 ARG HBx 1.0 0.0 6.5 1696 1444 A 82 TYR H A 81 ARG HBy 1.0 0.0 6.5 1697 1445 A 82 TYR H A 81 ARG HD2 1.0 0.0 6.5 1698 1446 A 82 TYR H A 81 ARG HD3 1.0 0.0 6.5 1699 1447 A 109 ILE H A 81 ARG HG2 1.0 0.0 6.5 1700 1448 A 82 TYR H A 81 ARG HG2 1.0 0.0 6.5 1701 1449 A 109 ILE H A 81 ARG HG3 1.0 0.0 6.5 1702 1450 A 82 TYR H A 81 ARG HG3 1.0 0.0 6.5 1703 1451 A 82 TYR H A 122 TYR HE2 1.0 0.0 6.5 1704 1452 A 82 TYR H A 82 TYR HDx 1.0 0.0 6.5 1705 1453 A 82 TYR H A 82 TYR HDy 1.0 0.0 6.5 1706 1454 A 82 TYR H A 83 ALA H 1.0 0.0 6.5 1707 1455 A 82 TYR HA A 107 LEU H 1.0 0.0 6.5 1708 1456 A 82 TYR HA A 108 GLN HA 1.0 0.0 6.5 1709 1457 A 82 TYR HA A 108 GLN HB2 1.0 0.0 6.5 1710 1458 A 82 TYR HA A 108 GLN HB3 1.0 0.0 6.5 1711 1459 A 82 TYR HA A 109 ILE H 1.0 0.0 6.5 1712 1460 A 82 TYR HA A 122 TYR HE2 1.0 0.0 6.5 1713 1461 A 129 ILE HD1% A 82 TYR HA 1.0 0.0 6.5 1714 1462 A 82 TYR HA A 129 ILE HG1y 1.0 0.0 6.5 1715 1462 A 129 ILE HG1x A 82 TYR HA 1.0 0.0 6.5 1716 1463 A 82 TYR HA A 129 ILE HG2% 1.0 0.0 6.5 1717 1464 A 82 TYR HA A 83 ALA H 1.0 0.0 5.5 1718 1465 A 83 ALA H A 82 TYR HBx 1.0 0.0 6.5 1719 1466 A 83 ALA H A 82 TYR HBy 1.0 0.0 6.5 1720 1467 A 109 ILE H A 82 TYR HDx 1.0 0.0 6.5 1721 1468 A 82 TYR HDy A 83 ALA H 1.0 0.0 6.5 1722 1469 A 109 ILE H A 82 TYR HBy 1.0 0.0 6.5 1723 1469 A 109 ILE H A 82 TYR HBx 1.0 0.0 6.5 1724 1470 A 83 ALA H A 82 TYR HBy 1.0 0.0 5.5 1725 1470 A 83 ALA H A 82 TYR HBx 1.0 0.0 5.5 1726 1471 A 83 ALA H A 106 PHE HA 1.0 0.0 6.5 1727 1472 A 83 ALA H A 107 LEU O 1.0 0.0 4.0 1728 1473 A 83 ALA H A 107 LEU H 1.0 0.0 6.5 1729 1474 A 83 ALA H A 107 LEU HB2 1.0 0.0 6.5 1730 1475 A 83 ALA H A 107 LEU HB3 1.0 0.0 6.5 1731 1476 A 83 ALA H A 107 LEU HD1% 1.0 0.0 6.5 1732 1477 A 83 ALA H A 107 LEU HD2% 1.0 0.0 6.5 1733 1478 A 108 GLN HA A 83 ALA H 1.0 0.0 6.5 1734 1479 A 109 ILE H A 83 ALA H 1.0 0.0 6.5 1735 1480 A 84 VAL H A 83 ALA H 1.0 0.0 6.5 1736 1481 A 83 ALA HA A 107 LEU HD1% 1.0 0.0 6.5 1737 1482 A 83 ALA HA A 107 LEU HD2% 1.0 0.0 6.5 1738 1483 A 83 ALA HA A 107 LEU HD2% 1.0 0.0 6.5 1739 1483 A 83 ALA HA A 107 LEU HD1% 1.0 0.0 6.5 1740 1484 A 84 VAL H A 83 ALA HA 1.0 0.0 6.5 1741 1485 A 83 ALA HA A 85 PHE HD1 1.0 0.0 6.5 1742 1486 A 107 LEU O A 83 ALA N 1.0 0.0 4.5 1743 1487 A 107 LEU H A 83 ALA O 1.0 0.0 4.0 1744 1488 A 83 ALA O A 107 LEU N 1.0 0.0 4.5 1745 1489 A 83 ALA HB% A 107 LEU H 1.0 0.0 6.5 1746 1490 A 83 ALA HB% A 107 LEU HD1% 1.0 0.0 6.5 1747 1491 A 83 ALA HB% A 107 LEU HD2% 1.0 0.0 6.5 1748 1492 A 84 VAL H A 83 ALA HB% 1.0 0.0 6.5 1749 1493 A 83 ALA HB% A 85 PHE HD1 1.0 0.0 6.5 1750 1494 A 84 VAL H A 106 PHE HD2 1.0 0.0 6.5 1751 1495 A 84 VAL H A 84 VAL HG1% 1.0 0.0 6.5 1752 1496 A 84 VAL H A 84 VAL HG2% 1.0 0.0 6.5 1753 1497 A 84 VAL H A 85 PHE H 1.0 0.0 6.5 1754 1498 A 84 VAL H A 85 PHE HD1 1.0 0.0 6.5 1755 1499 A 106 PHE HA A 84 VAL HA 1.0 0.0 6.5 1756 1500 A 107 LEU H A 84 VAL HA 1.0 0.0 6.5 1757 1501 A 85 PHE H A 84 VAL HA 1.0 0.0 5.5 1758 1502 A 84 VAL HB A 105 ILE H 1.0 0.0 6.5 1759 1503 A 84 VAL HB A 107 LEU H 1.0 0.0 6.5 1760 1504 A 84 VAL HB A 85 PHE H 1.0 0.0 6.5 1761 1505 A 84 VAL HG1% A 107 LEU H 1.0 0.0 6.5 1762 1506 A 133 LEU HD1% A 84 VAL HG1% 1.0 0.0 6.5 1763 1507 A 84 VAL HG1% A 133 LEU HD2% 1.0 0.0 6.5 1764 1508 A 84 VAL HG1% A 85 PHE H 1.0 0.0 6.5 1765 1509 A 107 LEU H A 84 VAL HG2% 1.0 0.0 6.5 1766 1510 A 133 LEU HD1% A 84 VAL HG2% 1.0 0.0 6.5 1767 1511 A 84 VAL HG2% A 133 LEU HD2% 1.0 0.0 6.5 1768 1512 A 85 PHE H A 84 VAL HG2% 1.0 0.0 6.5 1769 1513 A 85 PHE H A 104 ILE HD1% 1.0 0.0 6.5 1770 1514 A 85 PHE H A 104 ILE HG2% 1.0 0.0 6.5 1771 1515 A 85 PHE H A 105 ILE H 1.0 0.0 6.5 1772 1516 A 85 PHE H A 105 ILE HA 1.0 0.0 6.5 1773 1517 A 85 PHE H A 105 ILE HG1x 1.0 0.0 6.5 1774 1518 A 85 PHE H A 105 ILE HG1y 1.0 0.0 6.5 1775 1519 A 85 PHE H A 105 ILE O 1.0 0.0 4.0 1776 1520 A 85 PHE H A 105 ILE HG2% 1.0 0.0 6.5 1777 1521 A 106 PHE HA A 85 PHE H 1.0 0.0 6.5 1778 1522 A 85 PHE H A 106 PHE HBy 1.0 0.0 6.5 1779 1522 A 85 PHE H A 106 PHE HBx 1.0 0.0 6.5 1780 1523 A 107 LEU H A 85 PHE H 1.0 0.0 6.5 1781 1524 A 85 PHE H A 154 LEU HD2% 1.0 0.0 6.5 1782 1524 A 85 PHE H A 154 LEU HD1% 1.0 0.0 6.5 1783 1525 A 85 PHE HD1 A 85 PHE H 1.0 0.0 6.5 1784 1526 A 85 PHE H A 85 PHE HD2 1.0 0.0 6.5 1785 1527 A 85 PHE H A 85 PHE HEx 1.0 0.0 6.5 1786 1528 A 85 PHE H A 85 PHE HEy 1.0 0.0 6.5 1787 1529 A 86 ASP H A 85 PHE H 1.0 0.0 6.5 1788 1530 A 87 PHE H A 85 PHE H 1.0 0.0 6.5 1789 1531 A 85 PHE HBx A 105 ILE HB 1.0 0.0 6.5 1790 1532 A 86 ASP H A 85 PHE HBx 1.0 0.0 6.5 1791 1533 A 86 ASP H A 85 PHE HBy 1.0 0.0 6.5 1792 1534 A 85 PHE HD1 A 154 LEU HD1% 1.0 0.0 6.5 1793 1535 A 85 PHE HD1 A 154 LEU HD2% 1.0 0.0 6.5 1794 1536 A 85 PHE HD1 A 154 LEU HD2% 1.0 0.0 6.5 1795 1536 A 85 PHE HD1 A 154 LEU HD1% 1.0 0.0 6.5 1796 1537 A 86 ASP H A 85 PHE HD1 1.0 0.0 6.5 1797 1538 A 87 PHE H A 85 PHE HD1 1.0 0.0 6.5 1798 1539 A 86 ASP H A 85 PHE HD2 1.0 0.0 6.5 1799 1540 A 105 ILE O A 85 PHE N 1.0 0.0 4.5 1800 1541 A 105 ILE H A 85 PHE O 1.0 0.0 4.0 1801 1542 A 85 PHE O A 105 ILE N 1.0 0.0 4.5 1802 1543 A 105 ILE HB A 85 PHE HBy 1.0 0.0 6.5 1803 1543 A 85 PHE HBx A 105 ILE HB 1.0 0.0 6.5 1804 1544 A 105 ILE HD1% A 85 PHE HBy 1.0 0.0 6.5 1805 1544 A 85 PHE HBx A 105 ILE HD1% 1.0 0.0 6.5 1806 1545 A 86 ASP H A 104 ILE HG1x 1.0 0.0 6.5 1807 1545 A 86 ASP H A 104 ILE HG1y 1.0 0.0 6.5 1808 1546 A 86 ASP H A 104 ILE HG2% 1.0 0.0 6.5 1809 1547 A 86 ASP H A 86 ASP HBx 1.0 0.0 6.5 1810 1548 A 86 ASP H A 86 ASP HBy 1.0 0.0 6.5 1811 1549 A 86 ASP H A 87 PHE H 1.0 0.0 6.5 1812 1550 A 86 ASP HA A 103 LYS H 1.0 0.0 6.5 1813 1551 A 86 ASP HA A 104 ILE HG2% 1.0 0.0 6.5 1814 1552 A 86 ASP HA A 105 ILE H 1.0 0.0 6.5 1815 1553 A 103 LYS H A 86 ASP HBy 1.0 0.0 6.5 1816 1553 A 86 ASP HBx A 103 LYS H 1.0 0.0 6.5 1817 1554 A 104 ILE H A 86 ASP HBy 1.0 0.0 6.5 1818 1554 A 86 ASP HBx A 104 ILE H 1.0 0.0 6.5 1819 1555 A 86 ASP HBy A 104 ILE HG1x 1.0 0.0 6.5 1820 1555 A 86 ASP HBx A 104 ILE HG1x 1.0 0.0 6.5 1821 1555 A 104 ILE HG1y A 86 ASP HBy 1.0 0.0 6.5 1822 1555 A 86 ASP HBx A 104 ILE HG1y 1.0 0.0 6.5 1823 1556 A 104 ILE HG2% A 86 ASP HBy 1.0 0.0 6.5 1824 1556 A 86 ASP HBx A 104 ILE HG2% 1.0 0.0 6.5 1825 1557 A 105 ILE H A 86 ASP HBy 1.0 0.0 6.5 1826 1557 A 86 ASP HBx A 105 ILE H 1.0 0.0 6.5 1827 1558 A 87 PHE H A 86 ASP HBy 1.0 0.0 6.5 1828 1558 A 87 PHE H A 86 ASP HBx 1.0 0.0 6.5 1829 1559 A 87 PHE H A 102 ASP HA 1.0 0.0 6.5 1830 1560 A 87 PHE H A 102 ASP HBy 1.0 0.0 6.5 1831 1560 A 87 PHE H A 102 ASP HBx 1.0 0.0 6.5 1832 1561 A 87 PHE H A 103 LYS H 1.0 0.0 6.5 1833 1562 A 87 PHE H A 103 LYS HA 1.0 0.0 6.5 1834 1563 A 87 PHE H A 103 LYS HB2 1.0 0.0 6.5 1835 1564 A 87 PHE H A 103 LYS HB3 1.0 0.0 6.5 1836 1565 A 87 PHE H A 103 LYS O 1.0 0.0 4.0 1837 1566 A 87 PHE H A 104 ILE HD1% 1.0 0.0 6.5 1838 1567 A 87 PHE H A 104 ILE HG1x 1.0 0.0 6.5 1839 1567 A 87 PHE H A 104 ILE HG1y 1.0 0.0 6.5 1840 1568 A 87 PHE H A 104 ILE HG2% 1.0 0.0 6.5 1841 1569 A 87 PHE H A 154 LEU HBx 1.0 0.0 6.5 1842 1569 A 87 PHE H A 154 LEU HBy 1.0 0.0 6.5 1843 1570 A 87 PHE H A 154 LEU HD2% 1.0 0.0 6.5 1844 1570 A 87 PHE H A 154 LEU HD1% 1.0 0.0 6.5 1845 1571 A 87 PHE H A 87 PHE HD1 1.0 0.0 6.5 1846 1572 A 87 PHE H A 87 PHE HD2 1.0 0.0 6.5 1847 1573 A 87 PHE H A 87 PHE HEx 1.0 0.0 6.5 1848 1574 A 87 PHE H A 87 PHE HEy 1.0 0.0 6.5 1849 1575 A 87 PHE H A 88 LYS H 1.0 0.0 6.5 1850 1576 A 103 LYS H A 87 PHE HA 1.0 0.0 6.5 1851 1577 A 105 ILE HD1% A 87 PHE HA 1.0 0.0 6.5 1852 1578 A 87 PHE HA A 154 LEU HBx 1.0 0.0 6.5 1853 1578 A 154 LEU HBy A 87 PHE HA 1.0 0.0 6.5 1854 1579 A 154 LEU HD1% A 87 PHE HA 1.0 0.0 6.5 1855 1580 A 87 PHE HA A 154 LEU HD2% 1.0 0.0 6.5 1856 1580 A 154 LEU HD1% A 87 PHE HA 1.0 0.0 6.5 1857 1581 A 103 LYS H A 87 PHE HB2 1.0 0.0 6.5 1858 1582 A 154 LEU HD1% A 87 PHE HB2 1.0 0.0 6.5 1859 1583 A 87 PHE HB2 A 154 LEU HD2% 1.0 0.0 6.5 1860 1584 A 88 LYS H A 87 PHE HB2 1.0 0.0 6.5 1861 1585 A 103 LYS H A 87 PHE HB3 1.0 0.0 6.5 1862 1586 A 154 LEU HD1% A 87 PHE HB3 1.0 0.0 6.5 1863 1587 A 87 PHE HB3 A 154 LEU HD2% 1.0 0.0 6.5 1864 1588 A 88 LYS H A 87 PHE HB3 1.0 0.0 6.5 1865 1589 A 88 LYS H A 87 PHE HD1 1.0 0.0 6.5 1866 1590 A 103 LYS H A 87 PHE HD2 1.0 0.0 6.5 1867 1591 A 88 LYS H A 87 PHE HD2 1.0 0.0 6.5 1868 1592 A 103 LYS O A 87 PHE N 1.0 0.0 4.5 1869 1593 A 103 LYS H A 87 PHE O 1.0 0.0 4.0 1870 1594 A 87 PHE O A 103 LYS N 1.0 0.0 4.5 1871 1595 A 87 PHE HB2 A 102 ASP HBy 1.0 0.0 6.5 1872 1595 A 102 ASP HBx A 87 PHE HB3 1.0 0.0 6.5 1873 1595 A 102 ASP HBx A 87 PHE HB2 1.0 0.0 6.5 1874 1595 A 87 PHE HB3 A 102 ASP HBy 1.0 0.0 6.5 1875 1596 A 105 ILE HD1% A 87 PHE HB3 1.0 0.0 6.5 1876 1596 A 105 ILE HD1% A 87 PHE HB2 1.0 0.0 6.5 1877 1597 A 87 PHE HB2 A 154 LEU HBx 1.0 0.0 6.5 1878 1597 A 87 PHE HB3 A 154 LEU HBx 1.0 0.0 6.5 1879 1597 A 154 LEU HBy A 87 PHE HB3 1.0 0.0 6.5 1880 1597 A 154 LEU HBy A 87 PHE HB2 1.0 0.0 6.5 1881 1598 A 87 PHE HB3 A 154 LEU HD2% 1.0 0.0 6.5 1882 1598 A 87 PHE HB2 A 154 LEU HD2% 1.0 0.0 6.5 1883 1598 A 154 LEU HD1% A 87 PHE HB3 1.0 0.0 6.5 1884 1598 A 154 LEU HD1% A 87 PHE HB2 1.0 0.0 6.5 1885 1599 A 87 PHE HB3 A 158 LEU HD2% 1.0 0.0 6.5 1886 1599 A 87 PHE HB2 A 158 LEU HD2% 1.0 0.0 6.5 1887 1599 A 158 LEU HD1% A 87 PHE HB3 1.0 0.0 6.5 1888 1599 A 87 PHE HB2 A 158 LEU HD1% 1.0 0.0 6.5 1889 1600 A 88 LYS H A 102 ASP HA 1.0 0.0 6.5 1890 1601 A 88 LYS H A 102 ASP HBy 1.0 0.0 6.5 1891 1601 A 88 LYS H A 102 ASP HBx 1.0 0.0 6.5 1892 1602 A 88 LYS H A 88 LYS HD2 1.0 0.0 6.5 1893 1603 A 88 LYS H A 88 LYS HD3 1.0 0.0 6.5 1894 1604 A 88 LYS H A 88 LYS HE2 1.0 0.0 6.5 1895 1605 A 88 LYS H A 88 LYS HE3 1.0 0.0 6.5 1896 1606 A 88 LYS H A 88 LYS HGy 1.0 0.0 6.5 1897 1607 A 88 LYS H A 88 LYS HGx 1.0 0.0 6.5 1898 1608 A 88 LYS H A 89 PHE H 1.0 0.0 6.5 1899 1609 A 88 LYS HA A 101 MET H 1.0 0.0 6.5 1900 1610 A 88 LYS HA A 102 ASP H 1.0 0.0 6.5 1901 1611 A 88 LYS HA A 102 ASP HA 1.0 0.0 6.5 1902 1612 A 88 LYS HA A 103 LYS H 1.0 0.0 6.5 1903 1613 A 103 LYS H A 88 LYS HB2 1.0 0.0 6.5 1904 1614 A 89 PHE H A 88 LYS HB2 1.0 0.0 6.5 1905 1615 A 103 LYS H A 88 LYS HB3 1.0 0.0 6.5 1906 1616 A 89 PHE H A 88 LYS HB3 1.0 0.0 6.5 1907 1617 A 88 LYS HD2 A 101 MET H 1.0 0.0 6.5 1908 1618 A 88 LYS HD2 A 89 PHE H 1.0 0.0 6.5 1909 1619 A 101 MET H A 88 LYS HD3 1.0 0.0 6.5 1910 1620 A 102 ASP H A 88 LYS HD3 1.0 0.0 6.5 1911 1621 A 89 PHE H A 88 LYS HD3 1.0 0.0 6.5 1912 1622 A 88 LYS HE2 A 89 PHE H 1.0 0.0 6.5 1913 1623 A 89 PHE H A 88 LYS HE3 1.0 0.0 6.5 1914 1624 A 101 MET H A 88 LYS HGy 1.0 0.0 6.5 1915 1625 A 103 LYS H A 88 LYS HGy 1.0 0.0 6.5 1916 1626 A 89 PHE H A 88 LYS HGy 1.0 0.0 6.5 1917 1627 A 101 MET H A 88 LYS HGx 1.0 0.0 6.5 1918 1628 A 89 PHE H A 88 LYS HGx 1.0 0.0 6.5 1919 1629 A 88 LYS HGy A 102 ASP HBy 1.0 0.0 6.5 1920 1629 A 88 LYS HGx A 102 ASP HBy 1.0 0.0 6.5 1921 1629 A 102 ASP HBx A 88 LYS HGy 1.0 0.0 6.5 1922 1629 A 102 ASP HBx A 88 LYS HGx 1.0 0.0 6.5 1923 1630 A 89 PHE H A 100 LYS HA 1.0 0.0 6.5 1924 1631 A 89 PHE H A 101 MET H 1.0 0.0 6.5 1925 1632 A 89 PHE H A 101 MET HA 1.0 0.0 6.5 1926 1633 A 89 PHE H A 102 ASP HA 1.0 0.0 6.5 1927 1634 A 89 PHE H A 102 ASP HBx 1.0 0.0 6.5 1928 1635 A 89 PHE H A 102 ASP HBy 1.0 0.0 6.5 1929 1636 A 89 PHE H A 102 ASP HBy 1.0 0.0 6.5 1930 1636 A 89 PHE H A 102 ASP HBx 1.0 0.0 6.5 1931 1637 A 89 PHE H A 89 PHE HDx 1.0 0.0 6.5 1932 1638 A 89 PHE H A 89 PHE HDy 1.0 0.0 6.5 1933 1639 A 89 PHE H A 89 PHE HEx 1.0 0.0 6.5 1934 1640 A 89 PHE H A 89 PHE HEy 1.0 0.0 6.5 1935 1641 A 89 PHE H A 90 THR H 1.0 0.0 6.5 1936 1642 A 101 MET H A 89 PHE HA 1.0 0.0 6.5 1937 1643 A 89 PHE HA A 155 LEU HD1% 1.0 0.0 6.5 1938 1644 A 89 PHE HA A 155 LEU HD2% 1.0 0.0 6.5 1939 1645 A 90 THR H A 89 PHE HBx 1.0 0.0 6.5 1940 1646 A 90 THR H A 89 PHE HBy 1.0 0.0 6.5 1941 1647 A 101 MET H A 89 PHE HDx 1.0 0.0 6.5 1942 1648 A 102 ASP H A 89 PHE HDx 1.0 0.0 6.5 1943 1649 A 90 THR H A 89 PHE HDx 1.0 0.0 6.5 1944 1650 A 89 PHE HDy A 159 GLY H 1.0 0.0 6.5 1945 1651 A 90 THR H A 89 PHE HDy 1.0 0.0 6.5 1946 1652 A 101 MET H A 89 PHE HEx 1.0 0.0 6.5 1947 1653 A 102 ASP H A 89 PHE HEx 1.0 0.0 6.5 1948 1654 A 90 THR H A 89 PHE HEx 1.0 0.0 6.5 1949 1655 A 89 PHE HEy A 158 LEU H 1.0 0.0 6.5 1950 1656 A 89 PHE HEy A 159 GLY H 1.0 0.0 6.5 1951 1657 A 90 THR H A 89 PHE HEy 1.0 0.0 6.5 1952 1658 A 89 PHE HBx A 155 LEU HD2% 1.0 0.0 6.5 1953 1658 A 89 PHE HBy A 155 LEU HD2% 1.0 0.0 6.5 1954 1658 A 155 LEU HD1% A 89 PHE HBy 1.0 0.0 6.5 1955 1658 A 89 PHE HBx A 155 LEU HD1% 1.0 0.0 6.5 1956 1659 A 90 THR H A 100 LYS HA 1.0 0.0 6.5 1957 1660 A 90 THR H A 155 LEU HD1% 1.0 0.0 6.5 1958 1661 A 90 THR H A 155 LEU HD2% 1.0 0.0 6.5 1959 1662 A 90 THR H A 90 THR HB 1.0 0.0 6.5 1960 1663 A 90 THR H A 90 THR HG2% 1.0 0.0 6.5 1961 1664 A 90 THR H A 91 CYS H 1.0 0.0 6.5 1962 1665 A 90 THR HA A 100 LYS H 1.0 0.0 6.5 1963 1666 A 100 LYS HA A 90 THR HA 1.0 0.0 6.5 1964 1667 A 101 MET H A 90 THR HA 1.0 0.0 6.5 1965 1668 A 91 CYS H A 90 THR HA 1.0 0.0 5.5 1966 1669 A 90 THR HA A 99 SER HA 1.0 0.0 6.5 1967 1670 A 90 THR HB A 100 LYS H 1.0 0.0 6.5 1968 1671 A 101 MET H A 90 THR HB 1.0 0.0 6.5 1969 1672 A 90 THR HB A 91 CYS H 1.0 0.0 6.5 1970 1673 A 90 THR HB A 99 SER H 1.0 0.0 6.5 1971 1674 A 90 THR HB A 99 SER HB2 1.0 0.0 6.5 1972 1675 A 90 THR HB A 99 SER HB3 1.0 0.0 6.5 1973 1676 A 90 THR HG2% A 100 LYS H 1.0 0.0 6.5 1974 1677 A 90 THR HG2% A 101 MET H 1.0 0.0 6.5 1975 1678 A 90 THR HG2% A 98 THR HA 1.0 0.0 6.5 1976 1679 A 90 THR HG2% A 99 SER HA 1.0 0.0 6.5 1977 1680 A 90 THR HG2% A 99 SER HB3 1.0 0.0 6.5 1978 1680 A 90 THR HG2% A 99 SER HB2 1.0 0.0 6.5 1979 1681 A 100 LYS HA A 91 CYS H 1.0 0.0 6.5 1980 1682 A 91 CYS H A 91 CYS HB2 1.0 0.0 6.5 1981 1683 A 91 CYS H A 91 CYS HB3 1.0 0.0 6.5 1982 1684 A 91 CYS H A 92 SER H 1.0 0.0 6.5 1983 1685 A 91 CYS H A 98 THR HA 1.0 0.0 6.5 1984 1686 A 91 CYS H A 98 THR HG2% 1.0 0.0 6.5 1985 1687 A 91 CYS H A 99 SER H 1.0 0.0 5.5 1986 1688 A 91 CYS H A 99 SER HA 1.0 0.0 6.5 1987 1689 A 91 CYS H A 99 SER HB2 1.0 0.0 6.5 1988 1690 A 91 CYS H A 99 SER HB3 1.0 0.0 6.5 1989 1691 A 92 SER H A 91 CYS HB2 1.0 0.0 6.5 1990 1692 A 99 SER H A 91 CYS HB2 1.0 0.0 6.5 1991 1693 A 92 SER H A 91 CYS HB3 1.0 0.0 6.5 1992 1694 A 99 SER H A 91 CYS HB3 1.0 0.0 6.5 1993 1695 A 91 CYS HB3 A 99 SER HB3 1.0 0.0 6.5 1994 1695 A 91 CYS HB2 A 99 SER HB3 1.0 0.0 6.5 1995 1695 A 99 SER HB2 A 91 CYS HB3 1.0 0.0 6.5 1996 1695 A 99 SER HB2 A 91 CYS HB2 1.0 0.0 6.5 1997 1696 A 92 SER H A 92 SER HBx 1.0 0.0 5.5 1998 1696 A 92 SER H A 92 SER HBy 1.0 0.0 5.5 1999 1697 A 92 SER H A 93 ARG H 1.0 0.0 6.5 2000 1698 A 98 THR HA A 92 SER H 1.0 0.0 6.5 2001 1699 A 99 SER H A 92 SER HA 1.0 0.0 6.5 2002 1700 A 93 ARG H A 92 SER HBx 1.0 0.0 6.5 2003 1700 A 92 SER HBy A 93 ARG H 1.0 0.0 6.5 2004 1701 A 98 THR HA A 92 SER HBx 1.0 0.0 6.5 2005 1701 A 98 THR HA A 92 SER HBy 1.0 0.0 6.5 2006 1702 A 98 THR HG2% A 92 SER HBx 1.0 0.0 6.5 2007 1702 A 98 THR HG2% A 92 SER HBy 1.0 0.0 6.5 2008 1703 A 93 ARG H A 93 ARG HB2 1.0 0.0 6.5 2009 1704 A 93 ARG H A 93 ARG HB3 1.0 0.0 6.5 2010 1705 A 93 ARG H A 93 ARG HD2 1.0 0.0 6.5 2011 1706 A 93 ARG H A 93 ARG HD3 1.0 0.0 6.5 2012 1707 A 93 ARG H A 93 ARG HG2 1.0 0.0 6.5 2013 1708 A 93 ARG H A 93 ARG HG3 1.0 0.0 6.5 2014 1709 A 93 ARG H A 94 VAL H 1.0 0.0 6.5 2015 1710 A 93 ARG H A 96 ALA HB% 1.0 0.0 6.5 2016 1711 A 93 ARG H A 98 THR HB 1.0 0.0 6.5 2017 1712 A 98 THR HG2% A 93 ARG H 1.0 0.0 6.5 2018 1713 A 94 VAL H A 93 ARG HA 1.0 0.0 5.5 2019 1714 A 93 ARG HA A 96 ALA H 1.0 0.0 6.5 2020 1715 A 93 ARG HA A 97 GLY H 1.0 0.0 6.5 2021 1716 A 93 ARG HB2 A 94 VAL H 1.0 0.0 6.5 2022 1717 A 93 ARG HB2 A 96 ALA H 1.0 0.0 6.5 2023 1718 A 93 ARG HB2 A 96 ALA HB% 1.0 0.0 6.5 2024 1719 A 93 ARG HB2 A 97 GLY H 1.0 0.0 6.5 2025 1720 A 93 ARG HB3 A 94 VAL H 1.0 0.0 6.5 2026 1721 A 93 ARG HB3 A 96 ALA H 1.0 0.0 6.5 2027 1722 A 93 ARG HB3 A 96 ALA HB% 1.0 0.0 6.5 2028 1723 A 93 ARG HB3 A 97 GLY H 1.0 0.0 6.5 2029 1724 A 94 VAL H A 93 ARG HD2 1.0 0.0 6.5 2030 1725 A 97 GLY H A 93 ARG HD2 1.0 0.0 6.5 2031 1726 A 94 VAL H A 93 ARG HD3 1.0 0.0 6.5 2032 1727 A 97 GLY H A 93 ARG HD3 1.0 0.0 6.5 2033 1728 A 93 ARG HG2 A 94 VAL H 1.0 0.0 6.5 2034 1729 A 93 ARG HG2 A 96 ALA H 1.0 0.0 6.5 2035 1730 A 93 ARG HG2 A 96 ALA HB% 1.0 0.0 6.5 2036 1731 A 93 ARG HG2 A 97 GLY H 1.0 0.0 6.5 2037 1732 A 93 ARG HG3 A 94 VAL H 1.0 0.0 6.5 2038 1733 A 93 ARG HG3 A 96 ALA H 1.0 0.0 6.5 2039 1734 A 93 ARG HG3 A 96 ALA HB% 1.0 0.0 6.5 2040 1735 A 93 ARG HG3 A 97 GLY H 1.0 0.0 6.5 2041 1736 A 96 ALA HB% A 93 ARG HD3 1.0 0.0 6.5 2042 1736 A 96 ALA HB% A 93 ARG HD2 1.0 0.0 6.5 2043 1737 A 94 VAL H A 94 VAL HB 1.0 0.0 5.5 2044 1738 A 94 VAL H A 94 VAL HG1% 1.0 0.0 6.5 2045 1739 A 94 VAL H A 94 VAL HG2% 1.0 0.0 6.5 2046 1740 A 94 VAL H A 94 VAL HG2% 1.0 0.0 6.5 2047 1740 A 94 VAL H A 94 VAL HG1% 1.0 0.0 6.5 2048 1741 A 94 VAL H A 95 GLY H 1.0 0.0 6.5 2049 1742 A 94 VAL H A 96 ALA HB% 1.0 0.0 6.5 2050 1743 A 95 GLY H A 94 VAL HA 1.0 0.0 6.5 2051 1744 A 96 ALA H A 94 VAL HA 1.0 0.0 6.5 2052 1745 A 94 VAL HB A 95 GLY H 1.0 0.0 6.5 2053 1746 A 96 ALA H A 94 VAL HB 1.0 0.0 6.5 2054 1747 A 94 VAL HG1% A 95 GLY H 1.0 0.0 6.5 2055 1748 A 96 ALA H A 94 VAL HG1% 1.0 0.0 6.5 2056 1749 A 95 GLY H A 94 VAL HG2% 1.0 0.0 6.5 2057 1750 A 96 ALA H A 94 VAL HG2% 1.0 0.0 6.5 2058 1751 A 95 GLY H A 94 VAL HG2% 1.0 0.0 6.5 2059 1751 A 94 VAL HG1% A 95 GLY H 1.0 0.0 6.5 2060 1752 A 96 ALA H A 94 VAL HG2% 1.0 0.0 6.5 2061 1752 A 96 ALA H A 94 VAL HG1% 1.0 0.0 6.5 2062 1753 A 96 ALA H A 95 GLY H 1.0 0.0 6.5 2063 1754 A 96 ALA HB% A 95 GLY H 1.0 0.0 6.5 2064 1755 A 96 ALA HB% A 96 ALA H 1.0 0.0 6.5 2065 1756 A 96 ALA H A 97 GLY H 1.0 0.0 6.5 2066 1757 A 96 ALA HB% A 97 GLY H 1.0 0.0 6.5 2067 1758 A 97 GLY H A 98 THR H 1.0 0.0 6.5 2068 1759 A 98 THR H A 97 GLY HAx 1.0 0.0 5.5 2069 1759 A 98 THR H A 97 GLY HAy 1.0 0.0 5.5 2070 1760 A 98 THR HB A 98 THR H 1.0 0.0 6.5 2071 1761 A 98 THR HG2% A 98 THR H 1.0 0.0 6.5 2072 1762 A 99 SER H A 98 THR H 1.0 0.0 6.5 2073 1763 A 99 SER H A 98 THR HA 1.0 0.0 5.5 2074 1764 A 99 SER H A 98 THR HB 1.0 0.0 5.5 2075 1765 A 99 SER H A 98 THR HG2% 1.0 0.0 6.5 2076 1766 A 100 LYS H A 99 SER H 1.0 0.0 6.5 2077 1767 A 100 LYS H A 99 SER HA 1.0 0.0 5.5 2078 1768 A 101 MET H A 99 SER HA 1.0 0.0 6.5 2079 1769 A 100 LYS H A 99 SER HB2 1.0 0.0 6.5 2080 1770 A 100 LYS H A 99 SER HB3 1.0 0.0 6.5 2081 1771 A 100 LYS H A 100 LYS HD2 1.0 0.0 6.5 2082 1772 A 100 LYS H A 100 LYS HD3 1.0 0.0 6.5 2083 1773 A 100 LYS H A 100 LYS HE2 1.0 0.0 6.5 2084 1774 A 100 LYS H A 100 LYS HE3 1.0 0.0 6.5 2085 1775 A 100 LYS H A 100 LYS HG2 1.0 0.0 6.5 2086 1776 A 100 LYS H A 100 LYS HG3 1.0 0.0 6.5 2087 1777 A 101 MET H A 100 LYS H 1.0 0.0 6.5 2088 1778 A 101 MET H A 100 LYS HA 1.0 0.0 5.5 2089 1779 A 101 MET H A 100 LYS HD2 1.0 0.0 6.5 2090 1780 A 101 MET H A 100 LYS HD3 1.0 0.0 6.5 2091 1781 A 101 MET H A 100 LYS HE2 1.0 0.0 6.5 2092 1782 A 101 MET H A 100 LYS HE3 1.0 0.0 6.5 2093 1783 A 101 MET H A 100 LYS HG2 1.0 0.0 6.5 2094 1784 A 101 MET H A 100 LYS HG3 1.0 0.0 6.5 2095 1785 A 101 MET H A 101 MET HG2 1.0 0.0 6.5 2096 1786 A 101 MET H A 101 MET HG3 1.0 0.0 6.5 2097 1787 A 101 MET H A 102 ASP H 1.0 0.0 6.5 2098 1788 A 102 ASP H A 101 MET HA 1.0 0.0 5.5 2099 1789 A 102 ASP H A 101 MET HG2 1.0 0.0 6.5 2100 1790 A 102 ASP H A 101 MET HG3 1.0 0.0 6.5 2101 1791 A 102 ASP H A 101 MET HBx 1.0 0.0 6.5 2102 1791 A 102 ASP H A 101 MET HBy 1.0 0.0 6.5 2103 1792 A 102 ASP H A 102 ASP HBy 1.0 0.0 6.5 2104 1792 A 102 ASP HBx A 102 ASP H 1.0 0.0 6.5 2105 1793 A 103 LYS H A 102 ASP H 1.0 0.0 6.5 2106 1794 A 102 ASP H A 158 LEU HD2% 1.0 0.0 6.5 2107 1794 A 158 LEU HD1% A 102 ASP H 1.0 0.0 6.5 2108 1795 A 103 LYS H A 102 ASP HA 1.0 0.0 5.5 2109 1796 A 103 LYS H A 102 ASP HBx 1.0 0.0 6.5 2110 1797 A 103 LYS H A 102 ASP HBy 1.0 0.0 6.5 2111 1798 A 103 LYS H A 102 ASP HBy 1.0 0.0 6.5 2112 1798 A 103 LYS H A 102 ASP HBx 1.0 0.0 6.5 2113 1799 A 103 LYS H A 103 LYS HD2 1.0 0.0 6.5 2114 1800 A 103 LYS H A 103 LYS HD3 1.0 0.0 6.5 2115 1801 A 103 LYS H A 103 LYS HE2 1.0 0.0 6.5 2116 1802 A 103 LYS H A 103 LYS HE3 1.0 0.0 6.5 2117 1803 A 103 LYS H A 103 LYS HG2 1.0 0.0 6.5 2118 1804 A 103 LYS H A 103 LYS HG3 1.0 0.0 6.5 2119 1805 A 103 LYS H A 104 ILE H 1.0 0.0 6.5 2120 1806 A 103 LYS H A 158 LEU HD2% 1.0 0.0 6.5 2121 1806 A 103 LYS H A 158 LEU HD1% 1.0 0.0 6.5 2122 1807 A 104 ILE H A 103 LYS HA 1.0 0.0 5.5 2123 1808 A 104 ILE H A 103 LYS HB2 1.0 0.0 6.5 2124 1809 A 104 ILE H A 103 LYS HB3 1.0 0.0 6.5 2125 1810 A 104 ILE H A 103 LYS HD2 1.0 0.0 6.5 2126 1811 A 104 ILE H A 103 LYS HD3 1.0 0.0 6.5 2127 1812 A 104 ILE H A 103 LYS HG2 1.0 0.0 6.5 2128 1813 A 104 ILE H A 103 LYS HG3 1.0 0.0 6.5 2129 1814 A 104 ILE H A 104 ILE HB 1.0 0.0 6.5 2130 1815 A 104 ILE HD1% A 104 ILE H 1.0 0.0 6.5 2131 1816 A 104 ILE H A 104 ILE HG1x 1.0 0.0 6.5 2132 1816 A 104 ILE HG1y A 104 ILE H 1.0 0.0 6.5 2133 1817 A 104 ILE HG2% A 104 ILE H 1.0 0.0 6.5 2134 1818 A 105 ILE H A 104 ILE H 1.0 0.0 6.5 2135 1819 A 105 ILE H A 104 ILE HB 1.0 0.0 6.5 2136 1820 A 104 ILE O A 139 LEU H 1.0 0.0 4.0 2137 1821 A 104 ILE O A 139 LEU N 1.0 0.0 4.5 2138 1822 A 105 ILE H A 104 ILE HD1% 1.0 0.0 6.5 2139 1823 A 105 ILE H A 104 ILE HG1x 1.0 0.0 6.5 2140 1823 A 105 ILE H A 104 ILE HG1y 1.0 0.0 6.5 2141 1824 A 106 PHE HA A 104 ILE HG1x 1.0 0.0 6.5 2142 1824 A 106 PHE HA A 104 ILE HG1y 1.0 0.0 6.5 2143 1825 A 105 ILE H A 105 ILE HG1x 1.0 0.0 5.5 2144 1826 A 105 ILE H A 105 ILE HG1y 1.0 0.0 5.5 2145 1827 A 105 ILE H A 105 ILE HD1% 1.0 0.0 6.5 2146 1828 A 105 ILE H A 105 ILE HG1y 1.0 0.0 5.5 2147 1828 A 105 ILE H A 105 ILE HG1x 1.0 0.0 5.5 2148 1829 A 105 ILE H A 105 ILE HG2% 1.0 0.0 6.5 2149 1830 A 105 ILE H A 106 PHE H 1.0 0.0 6.5 2150 1831 A 105 ILE HA A 139 LEU H 1.0 0.0 6.5 2151 1832 A 105 ILE HA A 139 LEU HB2 1.0 0.0 6.5 2152 1832 A 105 ILE HA A 139 LEU HB3 1.0 0.0 6.5 2153 1833 A 105 ILE HB A 106 PHE H 1.0 0.0 6.5 2154 1834 A 154 LEU HD1% A 105 ILE HG1x 1.0 0.0 6.5 2155 1835 A 105 ILE HG1x A 154 LEU HD2% 1.0 0.0 6.5 2156 1836 A 154 LEU HD1% A 105 ILE HG1y 1.0 0.0 6.5 2157 1837 A 105 ILE HG1y A 154 LEU HD2% 1.0 0.0 6.5 2158 1838 A 105 ILE HD1% A 106 PHE H 1.0 0.0 6.5 2159 1839 A 107 LEU H A 105 ILE HD1% 1.0 0.0 6.5 2160 1840 A 105 ILE HD1% A 141 PHE HBy 1.0 0.0 6.5 2161 1840 A 105 ILE HD1% A 141 PHE HBx 1.0 0.0 6.5 2162 1841 A 105 ILE HD1% A 154 LEU HD2% 1.0 0.0 6.5 2163 1841 A 154 LEU HD1% A 105 ILE HD1% 1.0 0.0 6.5 2164 1842 A 105 ILE HD1% A 158 LEU HD2% 1.0 0.0 6.5 2165 1842 A 105 ILE HD1% A 158 LEU HD1% 1.0 0.0 6.5 2166 1843 A 106 PHE H A 105 ILE HG1y 1.0 0.0 6.5 2167 1843 A 105 ILE HG1x A 106 PHE H 1.0 0.0 6.5 2168 1844 A 107 LEU H A 105 ILE HG1y 1.0 0.0 6.5 2169 1844 A 107 LEU H A 105 ILE HG1x 1.0 0.0 6.5 2170 1845 A 139 LEU H A 105 ILE HG1y 1.0 0.0 6.5 2171 1845 A 139 LEU H A 105 ILE HG1x 1.0 0.0 6.5 2172 1846 A 105 ILE HG1y A 154 LEU HD2% 1.0 0.0 6.5 2173 1846 A 105 ILE HG1x A 154 LEU HD2% 1.0 0.0 6.5 2174 1846 A 154 LEU HD1% A 105 ILE HG1y 1.0 0.0 6.5 2175 1846 A 154 LEU HD1% A 105 ILE HG1x 1.0 0.0 6.5 2176 1847 A 105 ILE HG2% A 106 PHE H 1.0 0.0 6.5 2177 1848 A 107 LEU H A 105 ILE HG2% 1.0 0.0 6.5 2178 1849 A 105 ILE HG2% A 139 LEU H 1.0 0.0 6.5 2179 1850 A 106 PHE H A 106 PHE HD1 1.0 0.0 6.5 2180 1851 A 106 PHE HD2 A 106 PHE H 1.0 0.0 6.5 2181 1852 A 106 PHE H A 106 PHE HE1 1.0 0.0 6.5 2182 1853 A 106 PHE H A 106 PHE HE2 1.0 0.0 6.5 2183 1854 A 107 LEU H A 106 PHE H 1.0 0.0 6.5 2184 1855 A 106 PHE H A 138 ILE HG13 1.0 0.0 6.5 2185 1855 A 106 PHE H A 138 ILE HG12 1.0 0.0 6.5 2186 1856 A 139 LEU H A 106 PHE H 1.0 0.0 6.5 2187 1857 A 106 PHE H A 139 LEU HA 1.0 0.0 6.5 2188 1858 A 106 PHE H A 139 LEU HB2 1.0 0.0 6.5 2189 1859 A 106 PHE H A 139 LEU HB3 1.0 0.0 6.5 2190 1860 A 106 PHE H A 139 LEU O 1.0 0.0 4.0 2191 1861 A 106 PHE H A 140 GLN HA 1.0 0.0 6.5 2192 1862 A 106 PHE H A 140 GLN HBy 1.0 0.0 6.5 2193 1862 A 106 PHE H A 140 GLN HBx 1.0 0.0 6.5 2194 1863 A 106 PHE H A 141 PHE H 1.0 0.0 6.5 2195 1864 A 106 PHE H A 141 PHE HBy 1.0 0.0 6.5 2196 1864 A 106 PHE H A 141 PHE HBx 1.0 0.0 6.5 2197 1865 A 107 LEU H A 106 PHE HA 1.0 0.0 5.5 2198 1866 A 106 PHE HA A 140 GLN HA 1.0 0.0 6.5 2199 1867 A 107 LEU H A 106 PHE HBx 1.0 0.0 6.5 2200 1868 A 106 PHE HBx A 139 LEU H 1.0 0.0 6.5 2201 1869 A 107 LEU H A 106 PHE HBy 1.0 0.0 6.5 2202 1870 A 139 LEU H A 106 PHE HBy 1.0 0.0 6.5 2203 1871 A 107 LEU H A 106 PHE HD2 1.0 0.0 6.5 2204 1872 A 133 LEU HD1% A 106 PHE HE1 1.0 0.0 6.5 2205 1873 A 106 PHE HE1 A 133 LEU HD2% 1.0 0.0 6.5 2206 1874 A 107 LEU H A 106 PHE HE2 1.0 0.0 6.5 2207 1875 A 129 ILE H A 106 PHE HE2 1.0 0.0 6.5 2208 1876 A 133 LEU HD1% A 106 PHE HE2 1.0 0.0 6.5 2209 1877 A 106 PHE HE2 A 133 LEU HD2% 1.0 0.0 6.5 2210 1878 A 139 LEU O A 106 PHE N 1.0 0.0 4.5 2211 1879 A 141 PHE H A 106 PHE O 1.0 0.0 4.0 2212 1880 A 106 PHE O A 141 PHE N 1.0 0.0 4.5 2213 1881 A 107 LEU H A 106 PHE HBy 1.0 0.0 6.5 2214 1881 A 107 LEU H A 106 PHE HBx 1.0 0.0 6.5 2215 1882 A 139 LEU H A 106 PHE HBy 1.0 0.0 6.5 2216 1882 A 106 PHE HBx A 139 LEU H 1.0 0.0 6.5 2217 1883 A 141 PHE H A 106 PHE HBy 1.0 0.0 6.5 2218 1883 A 106 PHE HBx A 141 PHE H 1.0 0.0 6.5 2219 1884 A 107 LEU H A 107 LEU HB2 1.0 0.0 6.5 2220 1885 A 107 LEU H A 107 LEU HB3 1.0 0.0 6.5 2221 1886 A 107 LEU H A 107 LEU HG 1.0 0.0 6.5 2222 1887 A 107 LEU H A 107 LEU HD1% 1.0 0.0 6.5 2223 1888 A 107 LEU H A 107 LEU HD2% 1.0 0.0 6.5 2224 1889 A 107 LEU H A 108 GLN H 1.0 0.0 6.5 2225 1890 A 108 GLN H A 107 LEU HA 1.0 0.0 5.5 2226 1891 A 141 PHE H A 107 LEU HA 1.0 0.0 6.5 2227 1892 A 107 LEU HA A 154 LEU HD2% 1.0 0.0 6.5 2228 1893 A 107 LEU HA A 154 LEU HD2% 1.0 0.0 6.5 2229 1893 A 154 LEU HD1% A 107 LEU HA 1.0 0.0 6.5 2230 1894 A 108 GLN H A 107 LEU HB2 1.0 0.0 6.5 2231 1895 A 108 GLN H A 107 LEU HB3 1.0 0.0 6.5 2232 1896 A 107 LEU HB3 A 154 LEU HD2% 1.0 0.0 6.5 2233 1896 A 107 LEU HB2 A 154 LEU HD2% 1.0 0.0 6.5 2234 1896 A 154 LEU HD1% A 107 LEU HB2 1.0 0.0 6.5 2235 1896 A 154 LEU HD1% A 107 LEU HB3 1.0 0.0 6.5 2236 1897 A 107 LEU HD1% A 108 GLN H 1.0 0.0 6.5 2237 1898 A 107 LEU HD1% A 109 ILE HG2% 1.0 0.0 6.5 2238 1899 A 107 LEU HD1% A 143 VAL H 1.0 0.0 6.5 2239 1900 A 108 GLN H A 107 LEU HD2% 1.0 0.0 6.5 2240 1901 A 109 ILE HG2% A 107 LEU HD2% 1.0 0.0 6.5 2241 1902 A 143 VAL H A 107 LEU HD2% 1.0 0.0 6.5 2242 1903 A 109 ILE HG2% A 107 LEU HD2% 1.0 0.0 6.5 2243 1903 A 107 LEU HD1% A 109 ILE HG2% 1.0 0.0 6.5 2244 1904 A 141 PHE H A 107 LEU HD2% 1.0 0.0 6.5 2245 1904 A 107 LEU HD1% A 141 PHE H 1.0 0.0 6.5 2246 1905 A 107 LEU HD2% A 141 PHE HBy 1.0 0.0 6.5 2247 1905 A 107 LEU HD1% A 141 PHE HBy 1.0 0.0 6.5 2248 1905 A 141 PHE HBx A 107 LEU HD2% 1.0 0.0 6.5 2249 1905 A 107 LEU HD1% A 141 PHE HBx 1.0 0.0 6.5 2250 1906 A 107 LEU HD1% A 154 LEU HD2% 1.0 0.0 6.5 2251 1906 A 107 LEU HD2% A 154 LEU HD2% 1.0 0.0 6.5 2252 1906 A 154 LEU HD1% A 107 LEU HD2% 1.0 0.0 6.5 2253 1906 A 107 LEU HD1% A 154 LEU HD1% 1.0 0.0 6.5 2254 1907 A 107 LEU HD2% A 158 LEU HD2% 1.0 0.0 6.5 2255 1907 A 107 LEU HD1% A 158 LEU HD2% 1.0 0.0 6.5 2256 1907 A 158 LEU HD1% A 107 LEU HD2% 1.0 0.0 6.5 2257 1907 A 107 LEU HD1% A 158 LEU HD1% 1.0 0.0 6.5 2258 1908 A 108 GLN H A 108 GLN HB2 1.0 0.0 5.5 2259 1909 A 108 GLN H A 108 GLN HB3 1.0 0.0 5.0 2260 1910 A 108 GLN H A 108 GLN HG2 1.0 0.0 6.5 2261 1911 A 108 GLN H A 108 GLN HG3 1.0 0.0 6.5 2262 1912 A 109 ILE H A 108 GLN H 1.0 0.0 6.5 2263 1913 A 140 GLN HA A 108 GLN H 1.0 0.0 6.5 2264 1914 A 140 GLN HBx A 108 GLN H 1.0 0.0 6.5 2265 1915 A 108 GLN H A 140 GLN HBy 1.0 0.0 6.5 2266 1916 A 108 GLN H A 140 GLN HG2 1.0 0.0 6.5 2267 1917 A 108 GLN H A 140 GLN HG3 1.0 0.0 6.5 2268 1918 A 108 GLN H A 140 GLN HBy 1.0 0.0 6.5 2269 1918 A 140 GLN HBx A 108 GLN H 1.0 0.0 6.5 2270 1919 A 141 PHE H A 108 GLN H 1.0 0.0 6.5 2271 1920 A 141 PHE HBx A 108 GLN H 1.0 0.0 6.5 2272 1921 A 108 GLN H A 141 PHE HBy 1.0 0.0 6.5 2273 1922 A 108 GLN H A 141 PHE HD1 1.0 0.0 6.5 2274 1923 A 108 GLN H A 141 PHE HD2 1.0 0.0 6.5 2275 1924 A 108 GLN H A 141 PHE HE1 1.0 0.0 6.5 2276 1925 A 108 GLN H A 141 PHE HE2 1.0 0.0 6.5 2277 1926 A 108 GLN H A 141 PHE O 1.0 0.0 4.0 2278 1927 A 108 GLN H A 141 PHE HBy 1.0 0.0 6.5 2279 1927 A 141 PHE HBx A 108 GLN H 1.0 0.0 6.5 2280 1928 A 108 GLN H A 142 GLN HA 1.0 0.0 6.5 2281 1929 A 108 GLN H A 142 GLN HG2 1.0 0.0 6.5 2282 1930 A 108 GLN H A 142 GLN HG3 1.0 0.0 6.5 2283 1931 A 108 GLN H A 143 VAL H 1.0 0.0 6.5 2284 1932 A 108 GLN H A 143 VAL HG2% 1.0 0.0 6.5 2285 1933 A 109 ILE H A 108 GLN HB2 1.0 0.0 6.5 2286 1934 A 126 ALA H A 108 GLN HB2 1.0 0.0 6.5 2287 1935 A 109 ILE H A 108 GLN HB3 1.0 0.0 6.5 2288 1936 A 110 CYS H A 108 GLN HB3 1.0 0.0 6.5 2289 1937 A 109 ILE H A 108 GLN HG2 1.0 0.0 6.5 2290 1938 A 123 ALA HB% A 108 GLN HG2 1.0 0.0 6.5 2291 1939 A 109 ILE H A 108 GLN HG3 1.0 0.0 6.5 2292 1940 A 110 CYS H A 108 GLN HG3 1.0 0.0 6.5 2293 1941 A 123 ALA HB% A 108 GLN HG3 1.0 0.0 6.5 2294 1942 A 141 PHE O A 108 GLN N 1.0 0.0 4.5 2295 1943 A 143 VAL H A 108 GLN O 1.0 0.0 4.0 2296 1944 A 108 GLN O A 143 VAL N 1.0 0.0 4.5 2297 1945 A 123 ALA HA A 108 GLN HB3 1.0 0.0 6.5 2298 1945 A 108 GLN HB2 A 123 ALA HA 1.0 0.0 6.5 2299 1946 A 110 CYS HA A 108 GLN HG2 1.0 0.0 6.5 2300 1946 A 108 GLN HG3 A 110 CYS HA 1.0 0.0 6.5 2301 1947 A 109 ILE H A 109 ILE HB 1.0 0.0 6.5 2302 1948 A 109 ILE H A 109 ILE HD1% 1.0 0.0 6.5 2303 1949 A 109 ILE H A 109 ILE HG1y 1.0 0.0 6.5 2304 1949 A 109 ILE H A 109 ILE HG1x 1.0 0.0 6.5 2305 1950 A 109 ILE H A 109 ILE HG2% 1.0 0.0 6.5 2306 1951 A 109 ILE H A 110 CYS H 1.0 0.0 6.5 2307 1952 A 109 ILE H A 143 VAL HG2% 1.0 0.0 6.5 2308 1952 A 109 ILE H A 143 VAL HG1% 1.0 0.0 6.5 2309 1953 A 110 CYS H A 109 ILE HA 1.0 0.0 5.5 2310 1954 A 110 CYS H A 109 ILE HB 1.0 0.0 6.5 2311 1955 A 110 CYS H A 109 ILE HG1x 1.0 0.0 6.5 2312 1956 A 110 CYS H A 109 ILE HG1y 1.0 0.0 6.5 2313 1957 A 110 CYS H A 109 ILE HD1% 1.0 0.0 6.5 2314 1958 A 110 CYS H A 109 ILE HG1y 1.0 0.0 6.5 2315 1958 A 110 CYS H A 109 ILE HG1x 1.0 0.0 6.5 2316 1959 A 110 CYS H A 110 CYS HB2 1.0 0.0 6.5 2317 1960 A 110 CYS H A 110 CYS HB3 1.0 0.0 6.5 2318 1961 A 110 CYS H A 142 GLN HA 1.0 0.0 6.5 2319 1962 A 110 CYS H A 142 GLN HG2 1.0 0.0 6.5 2320 1963 A 110 CYS H A 142 GLN HG3 1.0 0.0 6.5 2321 1964 A 110 CYS H A 143 VAL H 1.0 0.0 6.5 2322 1965 A 110 CYS H A 143 VAL HA 1.0 0.0 6.5 2323 1966 A 110 CYS H A 143 VAL HB 1.0 0.0 6.5 2324 1967 A 110 CYS H A 143 VAL HG1% 1.0 0.0 6.5 2325 1968 A 110 CYS H A 143 VAL HG2% 1.0 0.0 6.5 2326 1969 A 110 CYS H A 144 SER HA 1.0 0.0 6.5 2327 1970 A 110 CYS H A 144 SER HBx 1.0 0.0 6.5 2328 1971 A 110 CYS H A 144 SER HBy 1.0 0.0 6.5 2329 1972 A 110 CYS H A 144 SER HBy 1.0 0.0 6.5 2330 1972 A 110 CYS H A 144 SER HBx 1.0 0.0 6.5 2331 1973 A 110 CYS HA A 119 LYS HG2 1.0 0.0 6.5 2332 1974 A 110 CYS HA A 119 LYS HG3 1.0 0.0 6.5 2333 1975 A 111 PRO HA A 112 ASP H 1.0 0.0 5.5 2334 1976 A 111 PRO HA A 113 GLY H 1.0 0.0 6.5 2335 1977 A 111 PRO HA A 114 ALA H 1.0 0.0 6.5 2336 1978 A 112 ASP H A 111 PRO HBy 1.0 0.0 6.5 2337 1979 A 113 GLY H A 111 PRO HBy 1.0 0.0 6.5 2338 1980 A 114 ALA H A 111 PRO HBy 1.0 0.0 6.5 2339 1981 A 115 SER H A 111 PRO HBy 1.0 0.0 6.5 2340 1982 A 112 ASP H A 111 PRO HBx 1.0 0.0 6.5 2341 1983 A 113 GLY H A 111 PRO HBx 1.0 0.0 6.5 2342 1984 A 114 ALA H A 111 PRO HBx 1.0 0.0 6.5 2343 1985 A 115 SER H A 111 PRO HBx 1.0 0.0 6.5 2344 1986 A 112 ASP H A 111 PRO HG2 1.0 0.0 6.5 2345 1987 A 113 GLY H A 111 PRO HG2 1.0 0.0 6.5 2346 1988 A 114 ALA H A 111 PRO HG2 1.0 0.0 6.5 2347 1989 A 111 PRO HG2 A 114 ALA HA 1.0 0.0 6.5 2348 1990 A 112 ASP H A 111 PRO HG3 1.0 0.0 6.5 2349 1991 A 113 GLY H A 111 PRO HG3 1.0 0.0 6.5 2350 1992 A 114 ALA H A 111 PRO HG3 1.0 0.0 6.5 2351 1993 A 113 GLY H A 111 PRO HBy 1.0 0.0 6.5 2352 1993 A 113 GLY H A 111 PRO HBx 1.0 0.0 6.5 2353 1994 A 114 ALA H A 111 PRO HBy 1.0 0.0 5.5 2354 1994 A 114 ALA H A 111 PRO HBx 1.0 0.0 5.5 2355 1995 A 115 SER H A 111 PRO HBy 1.0 0.0 6.5 2356 1995 A 115 SER H A 111 PRO HBx 1.0 0.0 6.5 2357 1996 A 145 ASP HA A 111 PRO HBy 1.0 0.0 6.5 2358 1996 A 111 PRO HBx A 145 ASP HA 1.0 0.0 6.5 2359 1997 A 111 PRO HBy A 145 ASP HBy 1.0 0.0 6.5 2360 1997 A 111 PRO HBx A 145 ASP HBy 1.0 0.0 6.5 2361 1997 A 145 ASP HBx A 111 PRO HBy 1.0 0.0 6.5 2362 1997 A 111 PRO HBx A 145 ASP HBx 1.0 0.0 6.5 2363 1998 A 112 ASP H A 112 ASP HB2 1.0 0.0 5.5 2364 1999 A 112 ASP H A 112 ASP HB3 1.0 0.0 5.5 2365 2000 A 112 ASP H A 113 GLY H 1.0 0.0 6.5 2366 2001 A 112 ASP H A 113 GLY HAx 1.0 0.0 6.5 2367 2002 A 112 ASP H A 113 GLY HAy 1.0 0.0 6.5 2368 2003 A 112 ASP H A 113 GLY HAy 1.0 0.0 6.5 2369 2003 A 112 ASP H A 113 GLY HAx 1.0 0.0 6.5 2370 2004 A 112 ASP H A 114 ALA H 1.0 0.0 6.5 2371 2005 A 112 ASP H A 114 ALA HB% 1.0 0.0 6.5 2372 2006 A 112 ASP H A 119 LYS HD3 1.0 0.0 6.5 2373 2006 A 112 ASP H A 119 LYS HD2 1.0 0.0 6.5 2374 2007 A 114 ALA H A 112 ASP HA 1.0 0.0 6.5 2375 2008 A 113 GLY H A 112 ASP HB2 1.0 0.0 6.5 2376 2009 A 114 ALA H A 112 ASP HB2 1.0 0.0 6.5 2377 2010 A 113 GLY H A 112 ASP HB3 1.0 0.0 6.5 2378 2011 A 114 ALA H A 112 ASP HB3 1.0 0.0 6.5 2379 2012 A 113 GLY H A 114 ALA H 1.0 0.0 6.5 2380 2013 A 113 GLY H A 114 ALA HB% 1.0 0.0 6.5 2381 2014 A 113 GLY H A 119 LYS HD3 1.0 0.0 6.5 2382 2014 A 113 GLY H A 119 LYS HD2 1.0 0.0 6.5 2383 2015 A 113 GLY HAx A 114 ALA HB% 1.0 0.0 6.5 2384 2016 A 114 ALA HB% A 113 GLY HAy 1.0 0.0 6.5 2385 2017 A 114 ALA H A 114 ALA HB% 1.0 0.0 6.5 2386 2018 A 114 ALA H A 115 SER H 1.0 0.0 6.5 2387 2019 A 114 ALA H A 119 LYS HE2 1.0 0.0 6.5 2388 2020 A 114 ALA H A 119 LYS HE3 1.0 0.0 6.5 2389 2021 A 119 LYS HG2 A 114 ALA H 1.0 0.0 6.5 2390 2022 A 119 LYS HG3 A 114 ALA H 1.0 0.0 6.5 2391 2023 A 114 ALA H A 119 LYS HD3 1.0 0.0 6.5 2392 2023 A 114 ALA H A 119 LYS HD2 1.0 0.0 6.5 2393 2024 A 115 SER H A 114 ALA HA 1.0 0.0 5.0 2394 2025 A 115 SER H A 114 ALA HB% 1.0 0.0 6.5 2395 2026 A 115 SER H A 115 SER HB2 1.0 0.0 6.5 2396 2027 A 115 SER H A 115 SER HB3 1.0 0.0 6.5 2397 2028 A 115 SER H A 116 ILE H 1.0 0.0 6.5 2398 2029 A 115 SER H A 117 LYS H 1.0 0.0 6.5 2399 2030 A 115 SER H A 119 LYS H 1.0 0.0 6.5 2400 2031 A 119 LYS HG2 A 115 SER H 1.0 0.0 6.5 2401 2032 A 119 LYS HG3 A 115 SER H 1.0 0.0 6.5 2402 2033 A 115 SER H A 119 LYS HD3 1.0 0.0 6.5 2403 2033 A 115 SER H A 119 LYS HD2 1.0 0.0 6.5 2404 2034 A 116 ILE H A 115 SER HA 1.0 0.0 5.5 2405 2035 A 117 LYS H A 115 SER HA 1.0 0.0 6.5 2406 2036 A 115 SER HA A 118 LYS H 1.0 0.0 6.5 2407 2037 A 115 SER HA A 118 LYS HG2 1.0 0.0 6.5 2408 2038 A 115 SER HA A 118 LYS HG3 1.0 0.0 6.5 2409 2039 A 119 LYS H A 115 SER HA 1.0 0.0 6.5 2410 2040 A 116 ILE H A 115 SER HB2 1.0 0.0 6.5 2411 2041 A 119 LYS H A 115 SER HB2 1.0 0.0 6.5 2412 2042 A 119 LYS HA A 115 SER HB2 1.0 0.0 6.5 2413 2043 A 116 ILE H A 115 SER HB3 1.0 0.0 6.5 2414 2044 A 119 LYS H A 115 SER HB3 1.0 0.0 6.5 2415 2045 A 119 LYS HA A 115 SER HB3 1.0 0.0 6.5 2416 2046 A 115 SER HB3 A 118 LYS HD3 1.0 0.0 6.5 2417 2046 A 115 SER HB2 A 118 LYS HD3 1.0 0.0 6.5 2418 2046 A 118 LYS HD2 A 115 SER HB3 1.0 0.0 6.5 2419 2046 A 115 SER HB2 A 118 LYS HD2 1.0 0.0 6.5 2420 2047 A 115 SER HB2 A 118 LYS HG2 1.0 0.0 5.5 2421 2047 A 115 SER HB3 A 118 LYS HG2 1.0 0.0 5.5 2422 2047 A 118 LYS HG3 A 115 SER HB3 1.0 0.0 5.5 2423 2047 A 115 SER HB2 A 118 LYS HG3 1.0 0.0 5.5 2424 2048 A 116 ILE H A 116 ILE HG1x 1.0 0.0 6.5 2425 2049 A 116 ILE H A 116 ILE HG1y 1.0 0.0 6.5 2426 2050 A 116 ILE H A 116 ILE HD1% 1.0 0.0 6.5 2427 2051 A 116 ILE H A 116 ILE HG1y 1.0 0.0 6.5 2428 2051 A 116 ILE H A 116 ILE HG1x 1.0 0.0 6.5 2429 2052 A 116 ILE H A 116 ILE HG2% 1.0 0.0 6.5 2430 2053 A 116 ILE H A 117 LYS H 1.0 0.0 6.5 2431 2054 A 116 ILE H A 118 LYS H 1.0 0.0 6.5 2432 2055 A 116 ILE H A 119 LYS H 1.0 0.0 6.5 2433 2056 A 118 LYS H A 116 ILE HA 1.0 0.0 6.5 2434 2057 A 119 LYS H A 116 ILE HA 1.0 0.0 6.5 2435 2058 A 120 MET H A 116 ILE HA 1.0 0.0 6.5 2436 2059 A 117 LYS H A 116 ILE HB 1.0 0.0 6.5 2437 2060 A 118 LYS H A 116 ILE HB 1.0 0.0 6.5 2438 2061 A 119 LYS H A 116 ILE HB 1.0 0.0 6.5 2439 2062 A 120 MET H A 116 ILE HB 1.0 0.0 6.5 2440 2063 A 117 LYS H A 116 ILE HG1x 1.0 0.0 6.5 2441 2064 A 117 LYS H A 116 ILE HG1y 1.0 0.0 6.5 2442 2065 A 117 LYS H A 116 ILE HG1y 1.0 0.0 6.5 2443 2065 A 117 LYS H A 116 ILE HG1x 1.0 0.0 6.5 2444 2066 A 120 MET H A 116 ILE HG1y 1.0 0.0 6.5 2445 2066 A 120 MET H A 116 ILE HG1x 1.0 0.0 6.5 2446 2067 A 120 MET HA A 116 ILE HG1y 1.0 0.0 6.5 2447 2067 A 116 ILE HG1x A 120 MET HA 1.0 0.0 6.5 2448 2068 A 116 ILE HG1y A 120 MET HG3 1.0 0.0 6.5 2449 2068 A 116 ILE HG1x A 120 MET HG3 1.0 0.0 6.5 2450 2068 A 120 MET HG2 A 116 ILE HG1y 1.0 0.0 6.5 2451 2068 A 116 ILE HG1x A 120 MET HG2 1.0 0.0 6.5 2452 2069 A 117 LYS H A 116 ILE HG2% 1.0 0.0 6.5 2453 2070 A 116 ILE HG2% A 119 LYS HB3 1.0 0.0 6.5 2454 2070 A 116 ILE HG2% A 119 LYS HB2 1.0 0.0 6.5 2455 2071 A 116 ILE HG2% A 119 LYS HD3 1.0 0.0 6.5 2456 2071 A 119 LYS HD2 A 116 ILE HG2% 1.0 0.0 6.5 2457 2072 A 116 ILE HG2% A 120 MET HG2 1.0 0.0 6.5 2458 2073 A 116 ILE HG2% A 120 MET HG3 1.0 0.0 6.5 2459 2074 A 117 LYS H A 117 LYS HBx 1.0 0.0 5.5 2460 2075 A 117 LYS H A 117 LYS HBy 1.0 0.0 5.5 2461 2076 A 117 LYS H A 117 LYS HD2 1.0 0.0 6.5 2462 2077 A 117 LYS H A 117 LYS HD3 1.0 0.0 6.5 2463 2078 A 117 LYS H A 117 LYS HE2 1.0 0.0 6.5 2464 2079 A 117 LYS H A 117 LYS HE3 1.0 0.0 6.5 2465 2080 A 117 LYS H A 117 LYS HG2 1.0 0.0 6.5 2466 2081 A 117 LYS H A 117 LYS HG3 1.0 0.0 6.5 2467 2082 A 117 LYS H A 117 LYS HBy 1.0 0.0 5.5 2468 2082 A 117 LYS H A 117 LYS HBx 1.0 0.0 5.5 2469 2083 A 117 LYS H A 118 LYS H 1.0 0.0 5.5 2470 2084 A 117 LYS H A 119 LYS H 1.0 0.0 6.5 2471 2085 A 119 LYS H A 117 LYS HA 1.0 0.0 6.5 2472 2086 A 120 MET H A 117 LYS HA 1.0 0.0 6.5 2473 2087 A 120 MET HA A 117 LYS HA 1.0 0.0 6.5 2474 2088 A 121 VAL H A 117 LYS HA 1.0 0.0 6.5 2475 2089 A 119 LYS H A 117 LYS HBx 1.0 0.0 6.5 2476 2090 A 120 MET H A 117 LYS HBx 1.0 0.0 6.5 2477 2091 A 121 VAL H A 117 LYS HBx 1.0 0.0 6.5 2478 2092 A 119 LYS H A 117 LYS HBy 1.0 0.0 6.5 2479 2093 A 120 MET H A 117 LYS HBy 1.0 0.0 6.5 2480 2094 A 121 VAL H A 117 LYS HBy 1.0 0.0 6.5 2481 2095 A 118 LYS H A 117 LYS HD2 1.0 0.0 6.5 2482 2096 A 118 LYS H A 117 LYS HD3 1.0 0.0 6.5 2483 2097 A 118 LYS H A 117 LYS HG2 1.0 0.0 6.5 2484 2098 A 118 LYS H A 117 LYS HG3 1.0 0.0 6.5 2485 2099 A 118 LYS H A 117 LYS HBy 1.0 0.0 5.0 2486 2099 A 118 LYS H A 117 LYS HBx 1.0 0.0 5.0 2487 2100 A 119 LYS H A 117 LYS HBy 1.0 0.0 6.5 2488 2100 A 119 LYS H A 117 LYS HBx 1.0 0.0 6.5 2489 2101 A 120 MET H A 117 LYS HBy 1.0 0.0 6.5 2490 2101 A 120 MET H A 117 LYS HBx 1.0 0.0 6.5 2491 2102 A 121 VAL H A 117 LYS HBy 1.0 0.0 6.5 2492 2102 A 121 VAL H A 117 LYS HBx 1.0 0.0 6.5 2493 2103 A 117 LYS HE2 A 121 VAL HG2% 1.0 0.0 6.5 2494 2103 A 117 LYS HE3 A 121 VAL HG2% 1.0 0.0 6.5 2495 2103 A 121 VAL HG1% A 117 LYS HE3 1.0 0.0 6.5 2496 2103 A 121 VAL HG1% A 117 LYS HE2 1.0 0.0 6.5 2497 2104 A 118 LYS H A 118 LYS HB2 1.0 0.0 6.5 2498 2105 A 118 LYS H A 118 LYS HB3 1.0 0.0 6.5 2499 2106 A 118 LYS H A 118 LYS HD2 1.0 0.0 5.5 2500 2107 A 118 LYS H A 118 LYS HD3 1.0 0.0 5.5 2501 2108 A 118 LYS H A 118 LYS HEx 1.0 0.0 6.5 2502 2109 A 118 LYS H A 118 LYS HEy 1.0 0.0 6.5 2503 2110 A 118 LYS H A 118 LYS HG2 1.0 0.0 6.5 2504 2111 A 118 LYS H A 118 LYS HG3 1.0 0.0 6.5 2505 2112 A 119 LYS H A 118 LYS H 1.0 0.0 5.5 2506 2113 A 120 MET H A 118 LYS H 1.0 0.0 6.5 2507 2114 A 120 MET H A 118 LYS HA 1.0 0.0 6.5 2508 2115 A 121 VAL H A 118 LYS HA 1.0 0.0 6.5 2509 2116 A 121 VAL HA A 118 LYS HA 1.0 0.0 6.5 2510 2117 A 121 VAL HB A 118 LYS HA 1.0 0.0 6.5 2511 2118 A 121 VAL HG1% A 118 LYS HA 1.0 0.0 6.5 2512 2119 A 118 LYS HA A 121 VAL HG2% 1.0 0.0 6.5 2513 2120 A 122 TYR H A 118 LYS HA 1.0 0.0 6.5 2514 2121 A 119 LYS H A 118 LYS HB2 1.0 0.0 6.5 2515 2122 A 122 TYR H A 118 LYS HB2 1.0 0.0 6.5 2516 2123 A 119 LYS H A 118 LYS HB3 1.0 0.0 6.5 2517 2124 A 119 LYS H A 118 LYS HD2 1.0 0.0 6.5 2518 2125 A 119 LYS H A 118 LYS HD3 1.0 0.0 6.5 2519 2126 A 119 LYS H A 118 LYS HG2 1.0 0.0 5.5 2520 2127 A 119 LYS H A 118 LYS HG3 1.0 0.0 6.5 2521 2128 A 119 LYS H A 119 LYS HB2 1.0 0.0 5.5 2522 2129 A 119 LYS H A 119 LYS HB3 1.0 0.0 5.5 2523 2130 A 119 LYS HD2 A 119 LYS H 1.0 0.0 6.5 2524 2131 A 119 LYS H A 119 LYS HD3 1.0 0.0 6.5 2525 2132 A 119 LYS HE2 A 119 LYS H 1.0 0.0 6.5 2526 2133 A 119 LYS HE3 A 119 LYS H 1.0 0.0 6.5 2527 2134 A 119 LYS HG2 A 119 LYS H 1.0 0.0 6.5 2528 2135 A 119 LYS HG3 A 119 LYS H 1.0 0.0 6.5 2529 2136 A 119 LYS H A 119 LYS HD3 1.0 0.0 6.5 2530 2136 A 119 LYS HD2 A 119 LYS H 1.0 0.0 6.5 2531 2137 A 120 MET H A 119 LYS H 1.0 0.0 5.5 2532 2138 A 121 VAL H A 119 LYS H 1.0 0.0 6.5 2533 2139 A 121 VAL H A 119 LYS HA 1.0 0.0 6.5 2534 2140 A 122 TYR H A 119 LYS HA 1.0 0.0 6.5 2535 2141 A 123 ALA H A 119 LYS HA 1.0 0.0 6.5 2536 2142 A 120 MET H A 119 LYS HB2 1.0 0.0 6.5 2537 2143 A 120 MET H A 119 LYS HB3 1.0 0.0 6.5 2538 2144 A 120 MET H A 119 LYS HE2 1.0 0.0 6.5 2539 2145 A 120 MET H A 119 LYS HE3 1.0 0.0 6.5 2540 2146 A 120 MET H A 119 LYS HG2 1.0 0.0 6.5 2541 2147 A 122 TYR HBx A 119 LYS HG2 1.0 0.0 6.5 2542 2148 A 119 LYS HG2 A 122 TYR HBy 1.0 0.0 6.5 2543 2149 A 120 MET H A 119 LYS HG3 1.0 0.0 6.5 2544 2150 A 122 TYR HBx A 119 LYS HG3 1.0 0.0 6.5 2545 2151 A 119 LYS HG3 A 122 TYR HBy 1.0 0.0 6.5 2546 2152 A 120 MET H A 119 LYS HD3 1.0 0.0 6.5 2547 2152 A 120 MET H A 119 LYS HD2 1.0 0.0 6.5 2548 2153 A 120 MET H A 120 MET HBx 1.0 0.0 5.0 2549 2154 A 120 MET H A 120 MET HBy 1.0 0.0 5.5 2550 2155 A 120 MET H A 120 MET HG2 1.0 0.0 6.5 2551 2156 A 120 MET H A 120 MET HG3 1.0 0.0 6.5 2552 2157 A 120 MET H A 121 VAL H 1.0 0.0 5.5 2553 2158 A 120 MET H A 122 TYR H 1.0 0.0 6.5 2554 2159 A 122 TYR H A 120 MET HA 1.0 0.0 6.5 2555 2160 A 123 ALA H A 120 MET HA 1.0 0.0 6.5 2556 2161 A 124 SER H A 120 MET HA 1.0 0.0 6.5 2557 2162 A 121 VAL H A 120 MET HG2 1.0 0.0 6.5 2558 2163 A 123 ALA HB% A 120 MET HG2 1.0 0.0 6.5 2559 2164 A 121 VAL H A 120 MET HG3 1.0 0.0 6.5 2560 2165 A 123 ALA HB% A 120 MET HG3 1.0 0.0 6.5 2561 2166 A 121 VAL H A 120 MET HBy 1.0 0.0 5.0 2562 2166 A 121 VAL H A 120 MET HBx 1.0 0.0 5.0 2563 2167 A 122 TYR H A 120 MET HBy 1.0 0.0 6.5 2564 2167 A 122 TYR H A 120 MET HBx 1.0 0.0 6.5 2565 2168 A 123 ALA H A 120 MET HBy 1.0 0.0 6.5 2566 2168 A 123 ALA H A 120 MET HBx 1.0 0.0 6.5 2567 2169 A 123 ALA HB% A 120 MET HBy 1.0 0.0 6.5 2568 2169 A 123 ALA HB% A 120 MET HBx 1.0 0.0 6.5 2569 2170 A 124 SER H A 120 MET HBy 1.0 0.0 6.5 2570 2170 A 124 SER H A 120 MET HBx 1.0 0.0 6.5 2571 2171 A 121 VAL H A 121 VAL HB 1.0 0.0 5.5 2572 2172 A 121 VAL H A 121 VAL HG1% 1.0 0.0 6.5 2573 2173 A 121 VAL H A 121 VAL HG2% 1.0 0.0 6.5 2574 2174 A 121 VAL H A 121 VAL HG2% 1.0 0.0 6.5 2575 2174 A 121 VAL H A 121 VAL HG1% 1.0 0.0 6.5 2576 2175 A 121 VAL H A 122 TYR H 1.0 0.0 5.5 2577 2176 A 121 VAL H A 123 ALA H 1.0 0.0 6.5 2578 2177 A 121 VAL HA A 123 ALA H 1.0 0.0 6.5 2579 2178 A 124 SER H A 121 VAL HA 1.0 0.0 5.5 2580 2179 A 121 VAL HA A 124 SER HBy 1.0 0.0 5.5 2581 2179 A 124 SER HBx A 121 VAL HA 1.0 0.0 5.5 2582 2180 A 125 SER H A 121 VAL HA 1.0 0.0 6.5 2583 2181 A 121 VAL HB A 122 TYR H 1.0 0.0 5.0 2584 2182 A 121 VAL HB A 123 ALA H 1.0 0.0 6.5 2585 2183 A 124 SER H A 121 VAL HB 1.0 0.0 6.5 2586 2184 A 125 SER H A 121 VAL HB 1.0 0.0 6.5 2587 2185 A 121 VAL HG1% A 122 TYR H 1.0 0.0 6.5 2588 2186 A 121 VAL HG1% A 123 ALA H 1.0 0.0 6.5 2589 2187 A 124 SER H A 121 VAL HG1% 1.0 0.0 6.5 2590 2188 A 125 SER H A 121 VAL HG1% 1.0 0.0 6.5 2591 2189 A 122 TYR H A 121 VAL HG2% 1.0 0.0 6.5 2592 2190 A 123 ALA H A 121 VAL HG2% 1.0 0.0 6.5 2593 2191 A 124 SER H A 121 VAL HG2% 1.0 0.0 6.5 2594 2192 A 125 SER H A 121 VAL HG2% 1.0 0.0 6.5 2595 2193 A 123 ALA H A 121 VAL HG2% 1.0 0.0 6.5 2596 2193 A 121 VAL HG1% A 123 ALA H 1.0 0.0 6.5 2597 2194 A 125 SER H A 121 VAL HG2% 1.0 0.0 6.5 2598 2194 A 125 SER H A 121 VAL HG1% 1.0 0.0 6.5 2599 2195 A 122 TYR H A 122 TYR HDx 1.0 0.0 6.5 2600 2196 A 122 TYR H A 122 TYR HDy 1.0 0.0 6.5 2601 2197 A 122 TYR H A 122 TYR HE1 1.0 0.0 6.5 2602 2198 A 122 TYR HE2 A 122 TYR H 1.0 0.0 6.5 2603 2199 A 122 TYR H A 123 ALA H 1.0 0.0 6.5 2604 2200 A 124 SER H A 122 TYR HA 1.0 0.0 6.5 2605 2201 A 125 SER H A 122 TYR HA 1.0 0.0 6.5 2606 2202 A 126 ALA H A 122 TYR HA 1.0 0.0 6.5 2607 2203 A 123 ALA H A 122 TYR HDx 1.0 0.0 6.5 2608 2204 A 123 ALA H A 122 TYR HDy 1.0 0.0 6.5 2609 2205 A 123 ALA H A 122 TYR HBy 1.0 0.0 6.5 2610 2205 A 123 ALA H A 122 TYR HBx 1.0 0.0 6.5 2611 2206 A 124 SER H A 122 TYR HBy 1.0 0.0 6.5 2612 2206 A 124 SER H A 122 TYR HBx 1.0 0.0 6.5 2613 2207 A 125 SER H A 122 TYR HBy 1.0 0.0 6.5 2614 2207 A 125 SER H A 122 TYR HBx 1.0 0.0 6.5 2615 2208 A 123 ALA H A 123 ALA HB% 1.0 0.0 6.5 2616 2209 A 124 SER H A 123 ALA H 1.0 0.0 5.5 2617 2210 A 125 SER H A 123 ALA H 1.0 0.0 6.5 2618 2211 A 126 ALA H A 123 ALA H 1.0 0.0 6.5 2619 2212 A 124 SER H A 123 ALA HA 1.0 0.0 6.5 2620 2213 A 125 SER H A 123 ALA HA 1.0 0.0 6.5 2621 2214 A 126 ALA H A 123 ALA HA 1.0 0.0 6.5 2622 2215 A 123 ALA HA A 127 ALA H 1.0 0.0 6.5 2623 2216 A 124 SER H A 123 ALA HB% 1.0 0.0 6.5 2624 2217 A 125 SER H A 123 ALA HB% 1.0 0.0 6.5 2625 2218 A 126 ALA H A 123 ALA HB% 1.0 0.0 6.5 2626 2219 A 123 ALA HB% A 126 ALA HA 1.0 0.0 6.5 2627 2220 A 123 ALA HB% A 127 ALA H 1.0 0.0 6.5 2628 2221 A 123 ALA HB% A 127 ALA HB% 1.0 0.0 6.5 2629 2222 A 124 SER HBx A 124 SER H 1.0 0.0 5.5 2630 2223 A 124 SER H A 124 SER HBy 1.0 0.0 6.5 2631 2224 A 124 SER H A 124 SER HBy 1.0 0.0 5.0 2632 2224 A 124 SER HBx A 124 SER H 1.0 0.0 5.0 2633 2225 A 124 SER H A 125 SER H 1.0 0.0 5.5 2634 2226 A 124 SER H A 126 ALA H 1.0 0.0 6.5 2635 2227 A 124 SER HA A 126 ALA H 1.0 0.0 6.5 2636 2228 A 124 SER HA A 127 ALA H 1.0 0.0 6.5 2637 2229 A 124 SER HBx A 125 SER H 1.0 0.0 6.5 2638 2230 A 124 SER HBx A 126 ALA H 1.0 0.0 6.5 2639 2231 A 124 SER HBx A 127 ALA H 1.0 0.0 6.5 2640 2232 A 125 SER H A 124 SER HBy 1.0 0.0 6.5 2641 2233 A 126 ALA H A 124 SER HBy 1.0 0.0 6.5 2642 2234 A 127 ALA H A 124 SER HBy 1.0 0.0 6.5 2643 2235 A 125 SER H A 124 SER HBy 1.0 0.0 5.5 2644 2235 A 124 SER HBx A 125 SER H 1.0 0.0 5.5 2645 2236 A 126 ALA H A 124 SER HBy 1.0 0.0 6.5 2646 2236 A 124 SER HBx A 126 ALA H 1.0 0.0 6.5 2647 2237 A 127 ALA H A 124 SER HBy 1.0 0.0 6.5 2648 2237 A 124 SER HBx A 127 ALA H 1.0 0.0 6.5 2649 2238 A 125 SER H A 125 SER HB3 1.0 0.0 5.5 2650 2238 A 125 SER H A 125 SER HB2 1.0 0.0 5.5 2651 2239 A 125 SER H A 126 ALA H 1.0 0.0 5.5 2652 2240 A 125 SER H A 126 ALA HA 1.0 0.0 6.5 2653 2241 A 125 SER H A 126 ALA HB% 1.0 0.0 6.5 2654 2242 A 125 SER H A 127 ALA H 1.0 0.0 6.5 2655 2243 A 128 ALA HB% A 125 SER H 1.0 0.0 6.5 2656 2244 A 125 SER HA A 126 ALA H 1.0 0.0 5.5 2657 2245 A 125 SER HA A 127 ALA H 1.0 0.0 6.5 2658 2246 A 125 SER HA A 128 ALA H 1.0 0.0 6.5 2659 2247 A 125 SER HA A 129 ILE H 1.0 0.0 6.5 2660 2248 A 126 ALA H A 125 SER HB2 1.0 0.0 6.5 2661 2249 A 128 ALA H A 125 SER HB2 1.0 0.0 6.5 2662 2250 A 129 ILE H A 125 SER HB2 1.0 0.0 6.5 2663 2251 A 126 ALA H A 125 SER HB3 1.0 0.0 6.5 2664 2252 A 128 ALA H A 125 SER HB3 1.0 0.0 6.5 2665 2253 A 129 ILE H A 125 SER HB3 1.0 0.0 6.5 2666 2254 A 126 ALA H A 125 SER HB3 1.0 0.0 5.5 2667 2254 A 126 ALA H A 125 SER HB2 1.0 0.0 5.5 2668 2255 A 127 ALA H A 125 SER HB3 1.0 0.0 6.5 2669 2255 A 127 ALA H A 125 SER HB2 1.0 0.0 6.5 2670 2256 A 129 ILE H A 125 SER HB3 1.0 0.0 6.5 2671 2256 A 129 ILE H A 125 SER HB2 1.0 0.0 6.5 2672 2257 A 130 LYS H A 125 SER HB3 1.0 0.0 6.5 2673 2257 A 125 SER HB2 A 130 LYS H 1.0 0.0 6.5 2674 2258 A 126 ALA H A 126 ALA HA 1.0 0.0 5.5 2675 2259 A 126 ALA H A 126 ALA HB% 1.0 0.0 6.5 2676 2260 A 126 ALA H A 127 ALA H 1.0 0.0 5.5 2677 2261 A 126 ALA H A 128 ALA H 1.0 0.0 6.5 2678 2262 A 128 ALA HB% A 126 ALA H 1.0 0.0 6.5 2679 2263 A 126 ALA H A 129 ILE HG2% 1.0 0.0 6.5 2680 2264 A 128 ALA H A 126 ALA HA 1.0 0.0 6.5 2681 2265 A 129 ILE H A 126 ALA HA 1.0 0.0 6.5 2682 2266 A 129 ILE HD1% A 126 ALA HA 1.0 0.0 6.5 2683 2267 A 126 ALA HA A 129 ILE HG1y 1.0 0.0 6.5 2684 2267 A 129 ILE HG1x A 126 ALA HA 1.0 0.0 6.5 2685 2268 A 129 ILE HG2% A 126 ALA HA 1.0 0.0 6.5 2686 2269 A 126 ALA HA A 130 LYS H 1.0 0.0 6.5 2687 2270 A 127 ALA H A 126 ALA HB% 1.0 0.0 6.5 2688 2271 A 128 ALA H A 126 ALA HB% 1.0 0.0 6.5 2689 2272 A 129 ILE H A 126 ALA HB% 1.0 0.0 6.5 2690 2273 A 126 ALA HB% A 129 ILE HB 1.0 0.0 6.5 2691 2274 A 129 ILE HD1% A 126 ALA HB% 1.0 0.0 6.5 2692 2275 A 129 ILE HG2% A 126 ALA HB% 1.0 0.0 6.5 2693 2276 A 127 ALA H A 127 ALA HB% 1.0 0.0 6.5 2694 2277 A 128 ALA H A 127 ALA H 1.0 0.0 5.5 2695 2278 A 129 ILE H A 127 ALA H 1.0 0.0 6.5 2696 2279 A 129 ILE H A 127 ALA HA 1.0 0.0 6.5 2697 2280 A 130 LYS H A 127 ALA HA 1.0 0.0 6.5 2698 2281 A 127 ALA HA A 131 THR H 1.0 0.0 6.5 2699 2282 A 127 ALA HA A 131 THR HA 1.0 0.0 6.5 2700 2283 A 127 ALA HA A 131 THR HG2% 1.0 0.0 6.5 2701 2284 A 128 ALA H A 127 ALA HB% 1.0 0.0 6.5 2702 2285 A 127 ALA HB% A 130 LYS H 1.0 0.0 6.5 2703 2286 A 127 ALA HB% A 131 THR H 1.0 0.0 6.5 2704 2287 A 127 ALA HB% A 131 THR HB 1.0 0.0 6.5 2705 2288 A 128 ALA HB% A 128 ALA H 1.0 0.0 6.5 2706 2289 A 129 ILE H A 128 ALA H 1.0 0.0 5.5 2707 2290 A 128 ALA H A 129 ILE HG2% 1.0 0.0 6.5 2708 2291 A 128 ALA H A 130 LYS H 1.0 0.0 6.5 2709 2292 A 128 ALA H A 131 THR H 1.0 0.0 6.5 2710 2293 A 128 ALA HA A 130 LYS H 1.0 0.0 6.5 2711 2294 A 128 ALA HA A 131 THR H 1.0 0.0 6.5 2712 2295 A 128 ALA HB% A 129 ILE H 1.0 0.0 6.5 2713 2296 A 128 ALA HB% A 130 LYS H 1.0 0.0 6.5 2714 2297 A 128 ALA HB% A 131 THR H 1.0 0.0 6.5 2715 2298 A 129 ILE H A 129 ILE HB 1.0 0.0 5.5 2716 2299 A 129 ILE H A 129 ILE HG1x 1.0 0.0 6.5 2717 2300 A 129 ILE H A 129 ILE HG1y 1.0 0.0 6.5 2718 2301 A 129 ILE H A 129 ILE HD1% 1.0 0.0 6.5 2719 2302 A 129 ILE H A 129 ILE HG1y 1.0 0.0 6.5 2720 2302 A 129 ILE H A 129 ILE HG1x 1.0 0.0 6.5 2721 2303 A 129 ILE H A 129 ILE HG2% 1.0 0.0 6.5 2722 2304 A 129 ILE H A 130 LYS H 1.0 0.0 5.5 2723 2305 A 129 ILE H A 131 THR H 1.0 0.0 6.5 2724 2306 A 129 ILE HA A 130 LYS H 1.0 0.0 5.5 2725 2307 A 132 SER H A 129 ILE HA 1.0 0.0 5.5 2726 2308 A 129 ILE HA A 132 SER HA 1.0 0.0 6.5 2727 2309 A 129 ILE HA A 133 LEU H 1.0 0.0 6.5 2728 2310 A 130 LYS H A 129 ILE HB 1.0 0.0 6.5 2729 2311 A 129 ILE HB A 131 THR H 1.0 0.0 6.5 2730 2312 A 132 SER H A 129 ILE HB 1.0 0.0 6.5 2731 2313 A 129 ILE HB A 133 LEU H 1.0 0.0 6.5 2732 2314 A 129 ILE HD1% A 130 LYS H 1.0 0.0 6.5 2733 2315 A 129 ILE HD1% A 131 THR H 1.0 0.0 6.5 2734 2316 A 132 SER H A 129 ILE HD1% 1.0 0.0 6.5 2735 2317 A 129 ILE HD1% A 132 SER HA 1.0 0.0 6.5 2736 2318 A 129 ILE HD1% A 132 SER HBy 1.0 0.0 6.5 2737 2318 A 132 SER HBx A 129 ILE HD1% 1.0 0.0 6.5 2738 2319 A 130 LYS H A 129 ILE HG1y 1.0 0.0 6.5 2739 2319 A 129 ILE HG1x A 130 LYS H 1.0 0.0 6.5 2740 2320 A 131 THR H A 129 ILE HG1y 1.0 0.0 6.5 2741 2320 A 129 ILE HG1x A 131 THR H 1.0 0.0 6.5 2742 2321 A 132 SER H A 129 ILE HG1y 1.0 0.0 6.5 2743 2321 A 132 SER H A 129 ILE HG1x 1.0 0.0 6.5 2744 2322 A 133 LEU H A 129 ILE HG1y 1.0 0.0 6.5 2745 2322 A 129 ILE HG1x A 133 LEU H 1.0 0.0 6.5 2746 2323 A 134 GLY H A 129 ILE HG1y 1.0 0.0 6.5 2747 2323 A 129 ILE HG1x A 134 GLY H 1.0 0.0 6.5 2748 2324 A 129 ILE HG2% A 130 LYS H 1.0 0.0 6.5 2749 2325 A 129 ILE HG2% A 131 THR H 1.0 0.0 6.5 2750 2326 A 132 SER H A 129 ILE HG2% 1.0 0.0 6.5 2751 2327 A 129 ILE HG2% A 133 LEU H 1.0 0.0 6.5 2752 2328 A 129 ILE HG2% A 134 GLY H 1.0 0.0 6.5 2753 2329 A 130 LYS H A 130 LYS HD2 1.0 0.0 6.5 2754 2330 A 130 LYS H A 130 LYS HD3 1.0 0.0 6.5 2755 2331 A 130 LYS H A 130 LYS HE2 1.0 0.0 6.5 2756 2332 A 130 LYS H A 130 LYS HE3 1.0 0.0 6.5 2757 2333 A 130 LYS H A 130 LYS HG2 1.0 0.0 6.5 2758 2334 A 130 LYS H A 130 LYS HG3 1.0 0.0 6.5 2759 2335 A 130 LYS H A 131 THR H 1.0 0.0 6.5 2760 2336 A 132 SER H A 130 LYS H 1.0 0.0 6.5 2761 2337 A 131 THR H A 130 LYS HA 1.0 0.0 5.5 2762 2338 A 132 SER H A 130 LYS HA 1.0 0.0 6.5 2763 2339 A 133 LEU H A 130 LYS HA 1.0 0.0 6.5 2764 2340 A 134 GLY H A 130 LYS HA 1.0 0.0 6.5 2765 2341 A 131 THR H A 130 LYS HD2 1.0 0.0 6.5 2766 2342 A 131 THR H A 130 LYS HD3 1.0 0.0 6.5 2767 2343 A 131 THR H A 130 LYS HE2 1.0 0.0 6.5 2768 2344 A 132 SER H A 130 LYS HE2 1.0 0.0 6.5 2769 2345 A 133 LEU H A 130 LYS HE2 1.0 0.0 6.5 2770 2346 A 131 THR H A 130 LYS HE3 1.0 0.0 6.5 2771 2347 A 132 SER H A 130 LYS HE3 1.0 0.0 6.5 2772 2348 A 133 LEU H A 130 LYS HE3 1.0 0.0 6.5 2773 2349 A 131 THR H A 130 LYS HG2 1.0 0.0 6.5 2774 2350 A 131 THR H A 130 LYS HG3 1.0 0.0 6.5 2775 2351 A 131 THR H A 131 THR HA 1.0 0.0 5.5 2776 2352 A 131 THR H A 131 THR HB 1.0 0.0 5.5 2777 2353 A 131 THR H A 131 THR HG2% 1.0 0.0 6.5 2778 2354 A 132 SER H A 131 THR H 1.0 0.0 5.5 2779 2355 A 131 THR H A 133 LEU H 1.0 0.0 6.5 2780 2356 A 132 SER H A 131 THR HA 1.0 0.0 5.5 2781 2357 A 131 THR HA A 133 LEU H 1.0 0.0 6.5 2782 2358 A 131 THR HA A 134 GLY H 1.0 0.0 6.5 2783 2359 A 132 SER H A 131 THR HB 1.0 0.0 5.5 2784 2360 A 131 THR HB A 133 LEU H 1.0 0.0 6.5 2785 2361 A 131 THR HB A 134 GLY H 1.0 0.0 6.5 2786 2362 A 132 SER H A 131 THR HG2% 1.0 0.0 6.5 2787 2363 A 131 THR HG2% A 133 LEU H 1.0 0.0 6.5 2788 2364 A 131 THR HG2% A 134 GLY H 1.0 0.0 6.5 2789 2365 A 132 SER H A 132 SER HA 1.0 0.0 5.5 2790 2366 A 132 SER HBx A 132 SER H 1.0 0.0 6.5 2791 2367 A 132 SER H A 132 SER HBy 1.0 0.0 6.5 2792 2368 A 132 SER H A 132 SER HBy 1.0 0.0 5.5 2793 2368 A 132 SER HBx A 132 SER H 1.0 0.0 5.5 2794 2369 A 132 SER H A 133 LEU H 1.0 0.0 5.5 2795 2370 A 132 SER H A 134 GLY H 1.0 0.0 6.5 2796 2371 A 132 SER HA A 134 GLY H 1.0 0.0 6.5 2797 2372 A 133 LEU H A 132 SER HBy 1.0 0.0 6.5 2798 2372 A 132 SER HBx A 133 LEU H 1.0 0.0 6.5 2799 2373 A 133 LEU HG A 133 LEU H 1.0 0.0 6.5 2800 2374 A 133 LEU H A 133 LEU HBx 1.0 0.0 5.5 2801 2374 A 133 LEU H A 133 LEU HBy 1.0 0.0 5.5 2802 2375 A 133 LEU HD1% A 133 LEU H 1.0 0.0 6.5 2803 2376 A 133 LEU H A 133 LEU HD2% 1.0 0.0 6.5 2804 2377 A 133 LEU H A 134 GLY H 1.0 0.0 5.5 2805 2378 A 133 LEU H A 135 THR H 1.0 0.0 6.5 2806 2379 A 134 GLY H A 133 LEU HBx 1.0 0.0 6.5 2807 2380 A 135 THR H A 133 LEU HBx 1.0 0.0 6.5 2808 2381 A 134 GLY H A 133 LEU HBy 1.0 0.0 6.5 2809 2382 A 133 LEU HBy A 135 THR H 1.0 0.0 6.5 2810 2383 A 133 LEU HG A 134 GLY H 1.0 0.0 6.5 2811 2384 A 133 LEU HG A 135 THR H 1.0 0.0 6.5 2812 2385 A 134 GLY H A 133 LEU HBx 1.0 0.0 6.5 2813 2385 A 134 GLY H A 133 LEU HBy 1.0 0.0 6.5 2814 2386 A 135 THR H A 133 LEU HBx 1.0 0.0 6.5 2815 2386 A 133 LEU HBy A 135 THR H 1.0 0.0 6.5 2816 2387 A 133 LEU HD1% A 134 GLY H 1.0 0.0 6.5 2817 2388 A 134 GLY H A 133 LEU HD2% 1.0 0.0 6.5 2818 2389 A 134 GLY H A 135 THR H 1.0 0.0 6.5 2819 2390 A 136 GLY H A 134 GLY HAx 1.0 0.0 6.5 2820 2390 A 134 GLY HAy A 136 GLY H 1.0 0.0 6.5 2821 2391 A 135 THR H A 135 THR HG2% 1.0 0.0 6.5 2822 2392 A 135 THR H A 136 GLY H 1.0 0.0 6.5 2823 2393 A 136 GLY H A 135 THR HB 1.0 0.0 6.5 2824 2394 A 138 ILE HG12 A 135 THR HB 1.0 0.0 6.5 2825 2395 A 135 THR HB A 138 ILE HG13 1.0 0.0 6.5 2826 2396 A 136 GLY H A 135 THR HG2% 1.0 0.0 6.5 2827 2397 A 138 ILE HG12 A 135 THR HG2% 1.0 0.0 6.5 2828 2398 A 135 THR HG2% A 138 ILE HG13 1.0 0.0 6.5 2829 2399 A 135 THR HG2% A 138 ILE HD1% 1.0 0.0 6.5 2830 2400 A 136 GLY H A 137 LYS H 1.0 0.0 6.5 2831 2401 A 138 ILE H A 136 GLY HAx 1.0 0.0 6.5 2832 2401 A 136 GLY HAy A 138 ILE H 1.0 0.0 6.5 2833 2402 A 137 LYS H A 137 LYS HBx 1.0 0.0 6.5 2834 2403 A 137 LYS H A 137 LYS HBy 1.0 0.0 6.5 2835 2404 A 137 LYS H A 137 LYS HE2 1.0 0.0 6.5 2836 2405 A 137 LYS H A 137 LYS HE3 1.0 0.0 6.5 2837 2406 A 137 LYS H A 137 LYS HDx 1.0 0.0 6.5 2838 2406 A 137 LYS H A 137 LYS HDy 1.0 0.0 6.5 2839 2407 A 137 LYS H A 137 LYS HGx 1.0 0.0 6.5 2840 2407 A 137 LYS H A 137 LYS HGy 1.0 0.0 6.5 2841 2408 A 137 LYS H A 138 ILE H 1.0 0.0 6.5 2842 2409 A 138 ILE H A 137 LYS HBx 1.0 0.0 6.5 2843 2410 A 138 ILE H A 137 LYS HBy 1.0 0.0 6.5 2844 2411 A 138 ILE H A 137 LYS HE2 1.0 0.0 6.5 2845 2412 A 138 ILE H A 137 LYS HE3 1.0 0.0 6.5 2846 2413 A 138 ILE H A 137 LYS HGx 1.0 0.0 6.5 2847 2414 A 138 ILE H A 137 LYS HGy 1.0 0.0 6.5 2848 2415 A 138 ILE H A 137 LYS HBy 1.0 0.0 6.5 2849 2415 A 138 ILE H A 137 LYS HBx 1.0 0.0 6.5 2850 2416 A 138 ILE H A 137 LYS HDx 1.0 0.0 5.5 2851 2416 A 138 ILE H A 137 LYS HDy 1.0 0.0 5.5 2852 2417 A 138 ILE H A 137 LYS HGx 1.0 0.0 6.5 2853 2417 A 138 ILE H A 137 LYS HGy 1.0 0.0 6.5 2854 2418 A 138 ILE H A 138 ILE HB 1.0 0.0 6.5 2855 2419 A 138 ILE HG12 A 138 ILE H 1.0 0.0 6.5 2856 2420 A 138 ILE H A 138 ILE HG13 1.0 0.0 6.5 2857 2421 A 138 ILE HD1% A 138 ILE H 1.0 0.0 6.5 2858 2422 A 138 ILE H A 138 ILE HG13 1.0 0.0 5.5 2859 2422 A 138 ILE HG12 A 138 ILE H 1.0 0.0 5.5 2860 2423 A 138 ILE H A 138 ILE HG2% 1.0 0.0 6.5 2861 2424 A 139 LEU H A 138 ILE H 1.0 0.0 6.5 2862 2425 A 139 LEU H A 138 ILE HA 1.0 0.0 5.5 2863 2426 A 139 LEU H A 138 ILE HB 1.0 0.0 6.5 2864 2427 A 140 GLN HG2 A 138 ILE HB 1.0 0.0 6.5 2865 2428 A 140 GLN HG3 A 138 ILE HB 1.0 0.0 6.5 2866 2429 A 139 LEU H A 138 ILE HG12 1.0 0.0 6.5 2867 2430 A 139 LEU H A 138 ILE HG13 1.0 0.0 6.5 2868 2431 A 139 LEU H A 138 ILE HD1% 1.0 0.0 6.5 2869 2432 A 140 GLN HG2 A 138 ILE HD1% 1.0 0.0 6.5 2870 2433 A 140 GLN HG3 A 138 ILE HD1% 1.0 0.0 6.5 2871 2434 A 139 LEU H A 138 ILE HG13 1.0 0.0 6.5 2872 2434 A 139 LEU H A 138 ILE HG12 1.0 0.0 6.5 2873 2435 A 139 LEU H A 138 ILE HG2% 1.0 0.0 6.5 2874 2436 A 139 LEU H A 139 LEU HB2 1.0 0.0 6.5 2875 2437 A 139 LEU H A 139 LEU HB3 1.0 0.0 6.5 2876 2438 A 139 LEU H A 139 LEU HG 1.0 0.0 6.5 2877 2439 A 139 LEU H A 139 LEU HD1% 1.0 0.0 6.5 2878 2440 A 139 LEU H A 139 LEU HD2% 1.0 0.0 6.5 2879 2441 A 139 LEU H A 139 LEU HD2% 1.0 0.0 6.5 2880 2441 A 139 LEU H A 139 LEU HD1% 1.0 0.0 6.5 2881 2442 A 139 LEU H A 140 GLN H 1.0 0.0 6.5 2882 2443 A 139 LEU H A 158 LEU HD2% 1.0 0.0 6.5 2883 2443 A 158 LEU HD1% A 139 LEU H 1.0 0.0 6.5 2884 2444 A 139 LEU HA A 140 GLN H 1.0 0.0 5.5 2885 2445 A 140 GLN H A 139 LEU HB2 1.0 0.0 6.5 2886 2446 A 141 PHE H A 139 LEU HB2 1.0 0.0 6.5 2887 2447 A 158 LEU H A 139 LEU HB2 1.0 0.0 6.5 2888 2448 A 139 LEU HB3 A 140 GLN H 1.0 0.0 6.5 2889 2449 A 139 LEU HB3 A 141 PHE H 1.0 0.0 6.5 2890 2450 A 158 LEU H A 139 LEU HB3 1.0 0.0 6.5 2891 2451 A 139 LEU HG A 162 TYR H 1.0 0.0 6.5 2892 2452 A 139 LEU HD1% A 140 GLN H 1.0 0.0 6.5 2893 2453 A 140 GLN H A 139 LEU HD2% 1.0 0.0 6.5 2894 2454 A 140 GLN H A 139 LEU HD2% 1.0 0.0 6.5 2895 2454 A 139 LEU HD1% A 140 GLN H 1.0 0.0 6.5 2896 2455 A 158 LEU H A 139 LEU HD2% 1.0 0.0 6.5 2897 2455 A 158 LEU H A 139 LEU HD1% 1.0 0.0 6.5 2898 2456 A 162 TYR H A 139 LEU HD2% 1.0 0.0 6.5 2899 2456 A 139 LEU HD1% A 162 TYR H 1.0 0.0 6.5 2900 2457 A 162 TYR HA A 139 LEU HD2% 1.0 0.0 6.5 2901 2457 A 139 LEU HD1% A 162 TYR HA 1.0 0.0 6.5 2902 2458 A 139 LEU HD2% A 162 TYR HBy 1.0 0.0 6.5 2903 2458 A 139 LEU HD1% A 162 TYR HBy 1.0 0.0 6.5 2904 2458 A 162 TYR HBx A 139 LEU HD2% 1.0 0.0 6.5 2905 2458 A 139 LEU HD1% A 162 TYR HBx 1.0 0.0 6.5 2906 2459 A 140 GLN HBx A 140 GLN H 1.0 0.0 6.5 2907 2460 A 140 GLN H A 140 GLN HBy 1.0 0.0 6.5 2908 2461 A 140 GLN HG2 A 140 GLN H 1.0 0.0 6.5 2909 2462 A 140 GLN HG3 A 140 GLN H 1.0 0.0 6.5 2910 2463 A 140 GLN H A 140 GLN HBy 1.0 0.0 5.5 2911 2463 A 140 GLN HBx A 140 GLN H 1.0 0.0 5.5 2912 2464 A 141 PHE H A 140 GLN H 1.0 0.0 6.5 2913 2465 A 140 GLN HA A 141 PHE H 1.0 0.0 5.5 2914 2466 A 140 GLN HBx A 141 PHE H 1.0 0.0 6.5 2915 2467 A 141 PHE H A 140 GLN HBy 1.0 0.0 6.5 2916 2468 A 141 PHE H A 140 GLN HG2 1.0 0.0 6.5 2917 2469 A 141 PHE H A 140 GLN HG3 1.0 0.0 6.5 2918 2470 A 141 PHE HBx A 141 PHE H 1.0 0.0 6.5 2919 2471 A 141 PHE H A 141 PHE HBy 1.0 0.0 6.5 2920 2472 A 141 PHE H A 141 PHE HD1 1.0 0.0 6.5 2921 2473 A 141 PHE H A 141 PHE HD2 1.0 0.0 6.5 2922 2474 A 141 PHE H A 141 PHE HE1 1.0 0.0 6.5 2923 2475 A 141 PHE H A 141 PHE HE2 1.0 0.0 6.5 2924 2476 A 141 PHE H A 141 PHE HBy 1.0 0.0 5.5 2925 2476 A 141 PHE HBx A 141 PHE H 1.0 0.0 5.5 2926 2477 A 141 PHE H A 142 GLN H 1.0 0.0 6.5 2927 2478 A 142 GLN H A 141 PHE HA 1.0 0.0 5.5 2928 2479 A 141 PHE HBx A 142 GLN H 1.0 0.0 6.5 2929 2480 A 142 GLN H A 141 PHE HBy 1.0 0.0 6.5 2930 2481 A 141 PHE HD1 A 142 GLN H 1.0 0.0 6.5 2931 2482 A 154 LEU HD1% A 141 PHE HD1 1.0 0.0 6.5 2932 2483 A 141 PHE HD1 A 154 LEU HD2% 1.0 0.0 6.5 2933 2484 A 141 PHE HD1 A 154 LEU HD2% 1.0 0.0 6.5 2934 2484 A 154 LEU HD1% A 141 PHE HD1 1.0 0.0 6.5 2935 2485 A 141 PHE HD2 A 142 GLN H 1.0 0.0 6.5 2936 2486 A 154 LEU HD1% A 141 PHE HD2 1.0 0.0 6.5 2937 2487 A 141 PHE HD2 A 154 LEU HD2% 1.0 0.0 6.5 2938 2488 A 141 PHE HD2 A 154 LEU HD2% 1.0 0.0 6.5 2939 2488 A 154 LEU HD1% A 141 PHE HD2 1.0 0.0 6.5 2940 2489 A 142 GLN H A 142 GLN HB2 1.0 0.0 6.5 2941 2490 A 142 GLN H A 142 GLN HB3 1.0 0.0 6.5 2942 2491 A 142 GLN HG2 A 142 GLN H 1.0 0.0 6.5 2943 2492 A 142 GLN HG3 A 142 GLN H 1.0 0.0 6.5 2944 2493 A 143 VAL H A 142 GLN H 1.0 0.0 6.5 2945 2494 A 143 VAL H A 142 GLN HA 1.0 0.0 5.5 2946 2495 A 143 VAL H A 142 GLN HB2 1.0 0.0 6.5 2947 2496 A 143 VAL H A 142 GLN HB3 1.0 0.0 6.5 2948 2497 A 143 VAL H A 142 GLN HG2 1.0 0.0 6.5 2949 2498 A 143 VAL H A 142 GLN HG3 1.0 0.0 6.5 2950 2499 A 143 VAL H A 143 VAL HB 1.0 0.0 6.5 2951 2500 A 143 VAL H A 143 VAL HG1% 1.0 0.0 6.5 2952 2501 A 143 VAL H A 143 VAL HG2% 1.0 0.0 6.5 2953 2502 A 143 VAL H A 144 SER H 1.0 0.0 6.5 2954 2503 A 143 VAL H A 145 ASP H 1.0 0.0 6.5 2955 2504 A 143 VAL HA A 144 SER H 1.0 0.0 5.5 2956 2505 A 143 VAL HA A 145 ASP H 1.0 0.0 6.5 2957 2506 A 143 VAL HA A 148 GLU HB2 1.0 0.0 6.5 2958 2507 A 143 VAL HA A 148 GLU HB3 1.0 0.0 6.5 2959 2508 A 143 VAL HB A 144 SER H 1.0 0.0 6.5 2960 2509 A 143 VAL HB A 145 ASP H 1.0 0.0 6.5 2961 2510 A 143 VAL HG1% A 144 SER H 1.0 0.0 6.5 2962 2511 A 143 VAL HG1% A 148 GLU H 1.0 0.0 6.5 2963 2512 A 150 SER H A 143 VAL HG1% 1.0 0.0 6.5 2964 2513 A 144 SER H A 143 VAL HG2% 1.0 0.0 6.5 2965 2514 A 148 GLU H A 143 VAL HG2% 1.0 0.0 6.5 2966 2515 A 150 SER H A 143 VAL HG2% 1.0 0.0 6.5 2967 2516 A 143 VAL HG2% A 148 GLU HB3 1.0 0.0 6.5 2968 2516 A 143 VAL HG1% A 148 GLU HB3 1.0 0.0 6.5 2969 2516 A 148 GLU HB2 A 143 VAL HG2% 1.0 0.0 6.5 2970 2516 A 143 VAL HG1% A 148 GLU HB2 1.0 0.0 6.5 2971 2517 A 143 VAL HG1% A 148 GLU HGx 1.0 0.0 6.5 2972 2517 A 148 GLU HGy A 143 VAL HG2% 1.0 0.0 6.5 2973 2517 A 143 VAL HG1% A 148 GLU HGy 1.0 0.0 6.5 2974 2517 A 143 VAL HG2% A 148 GLU HGx 1.0 0.0 6.5 2975 2518 A 149 MET H A 143 VAL HG2% 1.0 0.0 6.5 2976 2518 A 149 MET H A 143 VAL HG1% 1.0 0.0 6.5 2977 2519 A 149 MET HA A 143 VAL HG2% 1.0 0.0 6.5 2978 2519 A 143 VAL HG1% A 149 MET HA 1.0 0.0 6.5 2979 2520 A 150 SER H A 143 VAL HG2% 1.0 0.0 6.5 2980 2520 A 150 SER H A 143 VAL HG1% 1.0 0.0 6.5 2981 2521 A 144 SER HBx A 144 SER H 1.0 0.0 6.5 2982 2522 A 144 SER H A 144 SER HBy 1.0 0.0 6.5 2983 2523 A 144 SER H A 144 SER HBy 1.0 0.0 5.5 2984 2523 A 144 SER HBx A 144 SER H 1.0 0.0 5.5 2985 2524 A 144 SER H A 145 ASP H 1.0 0.0 5.5 2986 2525 A 144 SER H A 146 GLU H 1.0 0.0 6.5 2987 2526 A 144 SER H A 148 GLU H 1.0 0.0 6.5 2988 2527 A 144 SER H A 148 GLU HB2 1.0 0.0 6.5 2989 2528 A 144 SER H A 148 GLU HB3 1.0 0.0 6.5 2990 2529 A 144 SER H A 148 GLU HGx 1.0 0.0 6.5 2991 2530 A 144 SER H A 148 GLU HGy 1.0 0.0 6.5 2992 2531 A 149 MET H A 144 SER H 1.0 0.0 6.5 2993 2532 A 144 SER HBx A 145 ASP H 1.0 0.0 6.5 2994 2533 A 145 ASP H A 144 SER HBy 1.0 0.0 6.5 2995 2534 A 145 ASP HBx A 145 ASP H 1.0 0.0 6.5 2996 2535 A 145 ASP H A 145 ASP HBy 1.0 0.0 6.5 2997 2536 A 145 ASP H A 145 ASP HBy 1.0 0.0 5.5 2998 2536 A 145 ASP HBx A 145 ASP H 1.0 0.0 5.5 2999 2537 A 145 ASP H A 146 GLU H 1.0 0.0 6.5 3000 2538 A 145 ASP H A 147 SER H 1.0 0.0 6.5 3001 2539 A 145 ASP H A 148 GLU H 1.0 0.0 6.5 3002 2540 A 145 ASP H A 148 GLU HGx 1.0 0.0 6.5 3003 2541 A 145 ASP H A 148 GLU HGy 1.0 0.0 6.5 3004 2542 A 149 MET H A 145 ASP H 1.0 0.0 6.5 3005 2543 A 145 ASP HA A 146 GLU H 1.0 0.0 5.0 3006 2544 A 145 ASP HA A 147 SER H 1.0 0.0 6.5 3007 2545 A 145 ASP HA A 148 GLU H 1.0 0.0 6.5 3008 2546 A 149 MET H A 145 ASP HA 1.0 0.0 6.5 3009 2547 A 145 ASP HBx A 146 GLU H 1.0 0.0 6.5 3010 2548 A 145 ASP HBx A 147 SER H 1.0 0.0 6.5 3011 2549 A 145 ASP HBx A 148 GLU H 1.0 0.0 6.5 3012 2550 A 146 GLU H A 145 ASP HBy 1.0 0.0 5.5 3013 2551 A 147 SER H A 145 ASP HBy 1.0 0.0 6.5 3014 2552 A 148 GLU H A 145 ASP HBy 1.0 0.0 6.5 3015 2553 A 146 GLU H A 145 ASP HBy 1.0 0.0 5.5 3016 2553 A 145 ASP HBx A 146 GLU H 1.0 0.0 5.5 3017 2554 A 147 SER H A 145 ASP HBy 1.0 0.0 5.5 3018 2554 A 145 ASP HBx A 147 SER H 1.0 0.0 5.5 3019 2555 A 148 GLU H A 145 ASP HBy 1.0 0.0 6.5 3020 2555 A 145 ASP HBx A 148 GLU H 1.0 0.0 6.5 3021 2556 A 149 MET H A 145 ASP HBy 1.0 0.0 6.5 3022 2556 A 149 MET H A 145 ASP HBx 1.0 0.0 6.5 3023 2557 A 146 GLU HB2 A 146 GLU H 1.0 0.0 6.5 3024 2558 A 146 GLU H A 146 GLU HBy 1.0 0.0 5.5 3025 2559 A 146 GLU H A 146 GLU HGx 1.0 0.0 6.5 3026 2560 A 146 GLU H A 146 GLU HGy 1.0 0.0 6.5 3027 2561 A 146 GLU H A 146 GLU HBy 1.0 0.0 5.0 3028 2561 A 146 GLU HB2 A 146 GLU H 1.0 0.0 5.0 3029 2562 A 146 GLU H A 147 SER H 1.0 0.0 5.5 3030 2563 A 146 GLU H A 147 SER HBx 1.0 0.0 6.5 3031 2564 A 146 GLU H A 147 SER HBy 1.0 0.0 6.5 3032 2565 A 148 GLU H A 146 GLU H 1.0 0.0 6.5 3033 2566 A 149 MET H A 146 GLU H 1.0 0.0 6.5 3034 2567 A 148 GLU H A 146 GLU HA 1.0 0.0 6.5 3035 2568 A 149 MET H A 146 GLU HA 1.0 0.0 6.5 3036 2569 A 150 SER H A 146 GLU HA 1.0 0.0 6.5 3037 2570 A 146 GLU HB2 A 147 SER H 1.0 0.0 6.5 3038 2571 A 146 GLU HB2 A 148 GLU H 1.0 0.0 6.5 3039 2572 A 147 SER H A 146 GLU HBy 1.0 0.0 6.5 3040 2573 A 148 GLU H A 146 GLU HBy 1.0 0.0 6.5 3041 2574 A 147 SER H A 146 GLU HBy 1.0 0.0 5.5 3042 2574 A 146 GLU HB2 A 147 SER H 1.0 0.0 5.5 3043 2575 A 148 GLU H A 146 GLU HBy 1.0 0.0 6.5 3044 2575 A 146 GLU HB2 A 148 GLU H 1.0 0.0 6.5 3045 2576 A 149 MET H A 146 GLU HBy 1.0 0.0 6.5 3046 2576 A 146 GLU HB2 A 149 MET H 1.0 0.0 6.5 3047 2577 A 150 SER H A 146 GLU HBy 1.0 0.0 6.5 3048 2577 A 146 GLU HB2 A 150 SER H 1.0 0.0 6.5 3049 2578 A 147 SER H A 146 GLU HGx 1.0 0.0 6.5 3050 2578 A 147 SER H A 146 GLU HGy 1.0 0.0 6.5 3051 2579 A 149 MET H A 146 GLU HGx 1.0 0.0 6.5 3052 2579 A 149 MET H A 146 GLU HGy 1.0 0.0 6.5 3053 2580 A 147 SER H A 147 SER HBx 1.0 0.0 5.5 3054 2581 A 147 SER H A 147 SER HBy 1.0 0.0 5.5 3055 2582 A 148 GLU H A 147 SER H 1.0 0.0 5.5 3056 2583 A 148 GLU HB2 A 147 SER H 1.0 0.0 6.5 3057 2584 A 147 SER H A 148 GLU HB3 1.0 0.0 6.5 3058 2585 A 147 SER H A 148 GLU HGx 1.0 0.0 6.5 3059 2586 A 148 GLU HGy A 147 SER H 1.0 0.0 6.5 3060 2587 A 149 MET H A 147 SER H 1.0 0.0 6.5 3061 2588 A 148 GLU H A 147 SER HA 1.0 0.0 5.5 3062 2589 A 149 MET H A 147 SER HA 1.0 0.0 6.5 3063 2590 A 150 SER H A 147 SER HA 1.0 0.0 6.5 3064 2591 A 148 GLU H A 147 SER HBx 1.0 0.0 6.5 3065 2592 A 149 MET H A 147 SER HBx 1.0 0.0 6.5 3066 2593 A 150 SER H A 147 SER HBx 1.0 0.0 6.5 3067 2594 A 148 GLU H A 147 SER HBy 1.0 0.0 6.5 3068 2595 A 149 MET H A 147 SER HBy 1.0 0.0 6.5 3069 2596 A 150 SER H A 147 SER HBy 1.0 0.0 6.5 3070 2597 A 148 GLU H A 148 GLU HB2 1.0 0.0 5.5 3071 2598 A 148 GLU H A 148 GLU HB3 1.0 0.0 6.5 3072 2599 A 148 GLU H A 148 GLU HGx 1.0 0.0 6.5 3073 2600 A 148 GLU H A 148 GLU HGy 1.0 0.0 6.5 3074 2601 A 149 MET H A 148 GLU H 1.0 0.0 5.5 3075 2602 A 150 SER H A 148 GLU H 1.0 0.0 6.5 3076 2603 A 150 SER H A 148 GLU HA 1.0 0.0 6.5 3077 2604 A 149 MET H A 148 GLU HB2 1.0 0.0 6.5 3078 2605 A 150 SER H A 148 GLU HB2 1.0 0.0 6.5 3079 2606 A 149 MET H A 148 GLU HB3 1.0 0.0 6.5 3080 2607 A 150 SER H A 148 GLU HB3 1.0 0.0 6.5 3081 2608 A 149 MET H A 148 GLU HGx 1.0 0.0 6.5 3082 2609 A 149 MET H A 148 GLU HGy 1.0 0.0 6.5 3083 2610 A 149 MET H A 149 MET HBx 1.0 0.0 6.5 3084 2611 A 149 MET H A 149 MET HBy 1.0 0.0 6.5 3085 2612 A 149 MET H A 149 MET HGx 1.0 0.0 5.5 3086 2613 A 149 MET H A 149 MET HGy 1.0 0.0 5.5 3087 2614 A 149 MET H A 149 MET HBy 1.0 0.0 5.5 3088 2614 A 149 MET H A 149 MET HBx 1.0 0.0 5.5 3089 2615 A 149 MET H A 150 SER H 1.0 0.0 5.5 3090 2616 A 150 SER H A 149 MET HA 1.0 0.0 5.5 3091 2617 A 154 LEU HD1% A 149 MET HA 1.0 0.0 6.5 3092 2618 A 149 MET HA A 154 LEU HD2% 1.0 0.0 6.5 3093 2619 A 149 MET HA A 154 LEU HD2% 1.0 0.0 6.5 3094 2619 A 154 LEU HD1% A 149 MET HA 1.0 0.0 6.5 3095 2620 A 150 SER H A 149 MET HGx 1.0 0.0 6.5 3096 2621 A 150 SER H A 149 MET HGy 1.0 0.0 6.5 3097 2622 A 150 SER H A 149 MET HBy 1.0 0.0 6.5 3098 2622 A 150 SER H A 149 MET HBx 1.0 0.0 6.5 3099 2623 A 150 SER H A 149 MET HGy 1.0 0.0 6.5 3100 2623 A 150 SER H A 149 MET HGx 1.0 0.0 6.5 3101 2624 A 150 SER H A 150 SER HBx 1.0 0.0 6.5 3102 2625 A 150 SER H A 150 SER HBy 1.0 0.0 6.5 3103 2626 A 150 SER H A 150 SER HBy 1.0 0.0 5.5 3104 2626 A 150 SER H A 150 SER HBx 1.0 0.0 5.5 3105 2627 A 151 HIS H A 150 SER H 1.0 0.0 6.5 3106 2628 A 150 SER H A 154 LEU HG 1.0 0.0 6.5 3107 2629 A 150 SER H A 154 LEU HD1% 1.0 0.0 6.5 3108 2630 A 150 SER H A 154 LEU HD2% 1.0 0.0 6.5 3109 2631 A 151 HIS H A 150 SER HA 1.0 0.0 5.5 3110 2632 A 152 LYS H A 150 SER HA 1.0 0.0 6.5 3111 2633 A 150 SER HA A 153 GLU H 1.0 0.0 6.5 3112 2634 A 151 HIS H A 150 SER HBx 1.0 0.0 6.5 3113 2635 A 152 LYS H A 150 SER HBx 1.0 0.0 6.5 3114 2636 A 150 SER HBx A 153 GLU H 1.0 0.0 6.5 3115 2637 A 151 HIS H A 150 SER HBy 1.0 0.0 6.5 3116 2638 A 152 LYS H A 150 SER HBy 1.0 0.0 6.5 3117 2639 A 153 GLU H A 150 SER HBy 1.0 0.0 6.5 3118 2640 A 151 HIS H A 150 SER HBy 1.0 0.0 6.5 3119 2640 A 151 HIS H A 150 SER HBx 1.0 0.0 6.5 3120 2641 A 152 LYS H A 150 SER HBy 1.0 0.0 5.5 3121 2641 A 152 LYS H A 150 SER HBx 1.0 0.0 5.5 3122 2642 A 153 GLU H A 150 SER HBy 1.0 0.0 6.5 3123 2642 A 150 SER HBx A 153 GLU H 1.0 0.0 6.5 3124 2643 A 154 LEU H A 150 SER HBy 1.0 0.0 6.5 3125 2643 A 150 SER HBx A 154 LEU H 1.0 0.0 6.5 3126 2644 A 151 HIS HD2 A 151 HIS H 1.0 0.0 6.5 3127 2645 A 151 HIS H A 151 HIS HE1 1.0 0.0 6.5 3128 2646 A 151 HIS H A 152 LYS H 1.0 0.0 5.5 3129 2647 A 151 HIS H A 153 GLU H 1.0 0.0 6.5 3130 2648 A 152 LYS H A 151 HIS HA 1.0 0.0 6.5 3131 2649 A 151 HIS HA A 153 GLU H 1.0 0.0 6.5 3132 2650 A 151 HIS HD2 A 152 LYS H 1.0 0.0 6.5 3133 2651 A 152 LYS H A 151 HIS HE1 1.0 0.0 6.5 3134 2652 A 152 LYS H A 151 HIS HBy 1.0 0.0 5.5 3135 2652 A 152 LYS H A 151 HIS HBx 1.0 0.0 5.5 3136 2653 A 154 LEU H A 151 HIS HBy 1.0 0.0 6.5 3137 2653 A 154 LEU H A 151 HIS HBx 1.0 0.0 6.5 3138 2654 A 152 LYS H A 152 LYS HD2 1.0 0.0 6.5 3139 2655 A 152 LYS H A 152 LYS HD3 1.0 0.0 6.5 3140 2656 A 152 LYS H A 152 LYS HE2 1.0 0.0 6.5 3141 2657 A 152 LYS H A 152 LYS HE3 1.0 0.0 6.5 3142 2658 A 152 LYS H A 152 LYS HGx 1.0 0.0 6.5 3143 2659 A 152 LYS H A 152 LYS HGy 1.0 0.0 6.5 3144 2660 A 152 LYS H A 152 LYS HBx 1.0 0.0 5.0 3145 2660 A 152 LYS H A 152 LYS HBy 1.0 0.0 5.0 3146 2661 A 152 LYS H A 153 GLU H 1.0 0.0 5.5 3147 2662 A 152 LYS H A 154 LEU H 1.0 0.0 6.5 3148 2663 A 152 LYS H A 154 LEU HBx 1.0 0.0 6.5 3149 2663 A 152 LYS H A 154 LEU HBy 1.0 0.0 6.5 3150 2664 A 154 LEU H A 152 LYS HA 1.0 0.0 6.5 3151 2665 A 152 LYS HA A 155 LEU H 1.0 0.0 6.5 3152 2666 A 152 LYS HA A 155 LEU HB2 1.0 0.0 6.5 3153 2666 A 152 LYS HA A 155 LEU HB3 1.0 0.0 6.5 3154 2667 A 155 LEU HD1% A 152 LYS HA 1.0 0.0 6.5 3155 2668 A 152 LYS HA A 155 LEU HD2% 1.0 0.0 6.5 3156 2669 A 152 LYS HA A 156 ASN H 1.0 0.0 6.5 3157 2670 A 153 GLU H A 152 LYS HD2 1.0 0.0 6.5 3158 2671 A 155 LEU H A 152 LYS HD2 1.0 0.0 6.5 3159 2672 A 152 LYS HD2 A 155 LEU HB2 1.0 0.0 6.5 3160 2673 A 155 LEU HB3 A 152 LYS HD2 1.0 0.0 6.5 3161 2674 A 156 ASN H A 152 LYS HD2 1.0 0.0 6.5 3162 2675 A 153 GLU H A 152 LYS HD3 1.0 0.0 6.5 3163 2676 A 155 LEU H A 152 LYS HD3 1.0 0.0 6.5 3164 2677 A 152 LYS HD3 A 155 LEU HB2 1.0 0.0 6.5 3165 2678 A 155 LEU HB3 A 152 LYS HD3 1.0 0.0 5.5 3166 2679 A 156 ASN H A 152 LYS HD3 1.0 0.0 6.5 3167 2680 A 153 GLU H A 152 LYS HE2 1.0 0.0 6.5 3168 2681 A 153 GLU H A 152 LYS HE3 1.0 0.0 6.5 3169 2682 A 153 GLU H A 152 LYS HGx 1.0 0.0 6.5 3170 2683 A 153 GLU H A 152 LYS HGy 1.0 0.0 6.5 3171 2684 A 153 GLU H A 152 LYS HBx 1.0 0.0 5.5 3172 2684 A 153 GLU H A 152 LYS HBy 1.0 0.0 5.5 3173 2685 A 155 LEU H A 152 LYS HBx 1.0 0.0 6.5 3174 2685 A 152 LYS HBy A 155 LEU H 1.0 0.0 6.5 3175 2686 A 156 ASN H A 152 LYS HBx 1.0 0.0 6.5 3176 2686 A 152 LYS HBy A 156 ASN H 1.0 0.0 6.5 3177 2687 A 152 LYS HD2 A 155 LEU HD2% 1.0 0.0 6.5 3178 2687 A 152 LYS HD3 A 155 LEU HD2% 1.0 0.0 6.5 3179 2687 A 155 LEU HD1% A 152 LYS HD3 1.0 0.0 6.5 3180 2687 A 155 LEU HD1% A 152 LYS HD2 1.0 0.0 6.5 3181 2688 A 155 LEU H A 152 LYS HGx 1.0 0.0 6.5 3182 2688 A 155 LEU H A 152 LYS HGy 1.0 0.0 6.5 3183 2689 A 156 ASN H A 152 LYS HGx 1.0 0.0 6.5 3184 2689 A 156 ASN H A 152 LYS HGy 1.0 0.0 6.5 3185 2690 A 153 GLU H A 153 GLU HGx 1.0 0.0 6.5 3186 2691 A 153 GLU H A 153 GLU HGy 1.0 0.0 6.5 3187 2692 A 153 GLU H A 153 GLU HBy 1.0 0.0 5.5 3188 2692 A 153 GLU H A 153 GLU HBx 1.0 0.0 5.5 3189 2693 A 153 GLU H A 154 LEU H 1.0 0.0 5.5 3190 2694 A 154 LEU HG A 153 GLU H 1.0 0.0 6.5 3191 2695 A 153 GLU H A 155 LEU H 1.0 0.0 6.5 3192 2696 A 155 LEU H A 153 GLU HA 1.0 0.0 6.5 3193 2697 A 156 ASN H A 153 GLU HA 1.0 0.0 6.5 3194 2698 A 153 GLU HA A 156 ASN HA 1.0 0.0 6.5 3195 2699 A 153 GLU HA A 156 ASN HBy 1.0 0.0 6.5 3196 2699 A 153 GLU HA A 156 ASN HBx 1.0 0.0 6.5 3197 2700 A 153 GLU HA A 157 LYS H 1.0 0.0 6.5 3198 2701 A 153 GLU HA A 157 LYS HD2 1.0 0.0 6.5 3199 2702 A 153 GLU HA A 157 LYS HD3 1.0 0.0 6.5 3200 2703 A 153 GLU HBx A 157 LYS H 1.0 0.0 6.5 3201 2704 A 157 LYS H A 153 GLU HBy 1.0 0.0 6.5 3202 2705 A 154 LEU H A 153 GLU HGx 1.0 0.0 6.5 3203 2706 A 154 LEU H A 153 GLU HGy 1.0 0.0 6.5 3204 2707 A 154 LEU H A 153 GLU HBy 1.0 0.0 5.5 3205 2707 A 154 LEU H A 153 GLU HBx 1.0 0.0 5.5 3206 2708 A 156 ASN HA A 153 GLU HBy 1.0 0.0 6.5 3207 2708 A 153 GLU HBx A 156 ASN HA 1.0 0.0 6.5 3208 2709 A 153 GLU HBy A 156 ASN HBy 1.0 0.0 6.5 3209 2709 A 153 GLU HBx A 156 ASN HBy 1.0 0.0 6.5 3210 2709 A 156 ASN HBx A 153 GLU HBy 1.0 0.0 6.5 3211 2709 A 153 GLU HBx A 156 ASN HBx 1.0 0.0 6.5 3212 2710 A 157 LYS H A 153 GLU HBy 1.0 0.0 6.5 3213 2710 A 153 GLU HBx A 157 LYS H 1.0 0.0 6.5 3214 2711 A 157 LYS H A 153 GLU HGx 1.0 0.0 6.5 3215 2711 A 157 LYS H A 153 GLU HGy 1.0 0.0 6.5 3216 2712 A 154 LEU H A 154 LEU HBx 1.0 0.0 6.5 3217 2713 A 154 LEU HBy A 154 LEU H 1.0 0.0 6.5 3218 2714 A 154 LEU HG A 154 LEU H 1.0 0.0 5.5 3219 2715 A 154 LEU H A 154 LEU HBx 1.0 0.0 5.5 3220 2715 A 154 LEU HBy A 154 LEU H 1.0 0.0 5.5 3221 2716 A 154 LEU HD1% A 154 LEU H 1.0 0.0 6.5 3222 2717 A 154 LEU H A 154 LEU HD2% 1.0 0.0 6.5 3223 2718 A 154 LEU H A 154 LEU HD2% 1.0 0.0 6.5 3224 2718 A 154 LEU HD1% A 154 LEU H 1.0 0.0 6.5 3225 2719 A 154 LEU H A 155 LEU H 1.0 0.0 5.5 3226 2720 A 154 LEU H A 156 ASN H 1.0 0.0 6.5 3227 2721 A 156 ASN H A 154 LEU HA 1.0 0.0 6.5 3228 2722 A 157 LYS H A 154 LEU HA 1.0 0.0 6.5 3229 2723 A 158 LEU H A 154 LEU HA 1.0 0.0 6.5 3230 2724 A 154 LEU HA A 158 LEU HD2% 1.0 0.0 6.5 3231 2724 A 158 LEU HD1% A 154 LEU HA 1.0 0.0 6.5 3232 2725 A 155 LEU H A 154 LEU HBx 1.0 0.0 6.5 3233 2726 A 154 LEU HBy A 155 LEU H 1.0 0.0 6.5 3234 2727 A 154 LEU HG A 155 LEU H 1.0 0.0 6.5 3235 2728 A 154 LEU HG A 157 LYS H 1.0 0.0 6.5 3236 2729 A 157 LYS H A 154 LEU HBx 1.0 0.0 6.5 3237 2729 A 154 LEU HBy A 157 LYS H 1.0 0.0 6.5 3238 2730 A 154 LEU HD1% A 155 LEU H 1.0 0.0 6.5 3239 2731 A 154 LEU HD1% A 158 LEU HBx 1.0 0.0 6.5 3240 2732 A 155 LEU H A 154 LEU HD2% 1.0 0.0 6.5 3241 2733 A 157 LYS H A 154 LEU HD2% 1.0 0.0 6.5 3242 2734 A 154 LEU HD2% A 158 LEU HBx 1.0 0.0 6.5 3243 2735 A 158 LEU HBy A 154 LEU HD2% 1.0 0.0 6.5 3244 2736 A 155 LEU H A 154 LEU HD2% 1.0 0.0 6.5 3245 2736 A 154 LEU HD1% A 155 LEU H 1.0 0.0 6.5 3246 2737 A 157 LYS H A 154 LEU HD2% 1.0 0.0 6.5 3247 2737 A 154 LEU HD1% A 157 LYS H 1.0 0.0 6.5 3248 2738 A 154 LEU HD1% A 158 LEU HBx 1.0 0.0 6.5 3249 2738 A 154 LEU HD2% A 158 LEU HBx 1.0 0.0 6.5 3250 2738 A 158 LEU HBy A 154 LEU HD2% 1.0 0.0 6.5 3251 2738 A 154 LEU HD1% A 158 LEU HBy 1.0 0.0 6.5 3252 2739 A 155 LEU H A 155 LEU HB2 1.0 0.0 6.5 3253 2740 A 155 LEU H A 155 LEU HB3 1.0 0.0 6.5 3254 2741 A 155 LEU H A 155 LEU HG 1.0 0.0 6.5 3255 2742 A 155 LEU HD1% A 155 LEU H 1.0 0.0 6.5 3256 2743 A 155 LEU H A 155 LEU HD2% 1.0 0.0 6.5 3257 2744 A 155 LEU H A 156 ASN H 1.0 0.0 5.0 3258 2745 A 155 LEU H A 157 LYS H 1.0 0.0 6.5 3259 2746 A 157 LYS H A 155 LEU HA 1.0 0.0 6.5 3260 2747 A 158 LEU H A 155 LEU HA 1.0 0.0 6.5 3261 2748 A 159 GLY H A 155 LEU HA 1.0 0.0 6.5 3262 2749 A 155 LEU HD1% A 156 ASN H 1.0 0.0 6.5 3263 2750 A 158 LEU H A 155 LEU HD1% 1.0 0.0 6.5 3264 2751 A 155 LEU HD1% A 158 LEU HBy 1.0 0.0 6.5 3265 2752 A 156 ASN H A 155 LEU HD2% 1.0 0.0 6.5 3266 2753 A 158 LEU H A 155 LEU HD2% 1.0 0.0 6.5 3267 2754 A 158 LEU HA A 155 LEU HD2% 1.0 0.0 6.5 3268 2755 A 155 LEU HD2% A 158 LEU HBx 1.0 0.0 6.5 3269 2756 A 158 LEU HBy A 155 LEU HD2% 1.0 0.0 6.5 3270 2757 A 155 LEU HD2% A 158 LEU HBx 1.0 0.0 6.5 3271 2757 A 155 LEU HD1% A 158 LEU HBx 1.0 0.0 6.5 3272 2757 A 158 LEU HBy A 155 LEU HD2% 1.0 0.0 6.5 3273 2757 A 155 LEU HD1% A 158 LEU HBy 1.0 0.0 6.5 3274 2758 A 156 ASN H A 156 ASN HBx 1.0 0.0 6.5 3275 2759 A 156 ASN H A 156 ASN HBy 1.0 0.0 6.5 3276 2760 A 156 ASN H A 156 ASN HBy 1.0 0.0 5.5 3277 2760 A 156 ASN H A 156 ASN HBx 1.0 0.0 5.5 3278 2761 A 156 ASN H A 157 LYS H 1.0 0.0 5.0 3279 2762 A 158 LEU H A 156 ASN H 1.0 0.0 6.5 3280 2763 A 158 LEU H A 156 ASN HA 1.0 0.0 6.5 3281 2764 A 159 GLY H A 156 ASN HA 1.0 0.0 6.5 3282 2765 A 156 ASN HA A 160 GLU H 1.0 0.0 6.5 3283 2766 A 157 LYS H A 156 ASN HBy 1.0 0.0 5.5 3284 2766 A 156 ASN HBx A 157 LYS H 1.0 0.0 5.5 3285 2767 A 159 GLY H A 156 ASN HBy 1.0 0.0 6.5 3286 2767 A 159 GLY H A 156 ASN HBx 1.0 0.0 6.5 3287 2768 A 160 GLU H A 156 ASN HBy 1.0 0.0 6.5 3288 2768 A 156 ASN HBx A 160 GLU H 1.0 0.0 6.5 3289 2769 A 157 LYS H A 157 LYS HBx 1.0 0.0 6.5 3290 2770 A 157 LYS H A 157 LYS HBy 1.0 0.0 6.5 3291 2771 A 157 LYS H A 157 LYS HD2 1.0 0.0 6.5 3292 2772 A 157 LYS H A 157 LYS HD3 1.0 0.0 6.5 3293 2773 A 157 LYS H A 157 LYS HE2 1.0 0.0 6.5 3294 2774 A 157 LYS H A 157 LYS HE3 1.0 0.0 6.5 3295 2775 A 157 LYS H A 157 LYS HG2 1.0 0.0 6.5 3296 2776 A 157 LYS H A 157 LYS HG3 1.0 0.0 6.5 3297 2777 A 157 LYS H A 157 LYS HBy 1.0 0.0 5.5 3298 2777 A 157 LYS H A 157 LYS HBx 1.0 0.0 5.5 3299 2778 A 158 LEU H A 157 LYS H 1.0 0.0 5.5 3300 2779 A 159 GLY H A 157 LYS H 1.0 0.0 6.5 3301 2780 A 159 GLY H A 157 LYS HA 1.0 0.0 6.5 3302 2781 A 160 GLU H A 157 LYS HA 1.0 0.0 6.5 3303 2782 A 157 LYS HA A 161 LYS H 1.0 0.0 6.5 3304 2783 A 158 LEU H A 157 LYS HBx 1.0 0.0 6.5 3305 2784 A 158 LEU H A 157 LYS HBy 1.0 0.0 6.5 3306 2785 A 158 LEU H A 157 LYS HD2 1.0 0.0 6.5 3307 2786 A 157 LYS HD2 A 160 GLU H 1.0 0.0 6.5 3308 2787 A 158 LEU H A 157 LYS HD3 1.0 0.0 6.5 3309 2788 A 157 LYS HD3 A 160 GLU H 1.0 0.0 6.5 3310 2789 A 158 LEU H A 157 LYS HE2 1.0 0.0 6.5 3311 2790 A 158 LEU H A 157 LYS HE3 1.0 0.0 6.5 3312 2791 A 158 LEU H A 157 LYS HG2 1.0 0.0 6.5 3313 2792 A 158 LEU H A 157 LYS HG3 1.0 0.0 6.5 3314 2793 A 158 LEU H A 157 LYS HBy 1.0 0.0 5.5 3315 2793 A 158 LEU H A 157 LYS HBx 1.0 0.0 5.5 3316 2794 A 160 GLU H A 157 LYS HBy 1.0 0.0 6.5 3317 2794 A 160 GLU H A 157 LYS HBx 1.0 0.0 6.5 3318 2795 A 158 LEU H A 158 LEU HG 1.0 0.0 6.5 3319 2796 A 158 LEU HD1% A 158 LEU H 1.0 0.0 6.5 3320 2797 A 158 LEU H A 158 LEU HD2% 1.0 0.0 6.5 3321 2798 A 158 LEU H A 158 LEU HD2% 1.0 0.0 6.5 3322 2798 A 158 LEU HD1% A 158 LEU H 1.0 0.0 6.5 3323 2799 A 159 GLY H A 158 LEU H 1.0 0.0 6.5 3324 2800 A 158 LEU HA A 160 GLU H 1.0 0.0 6.5 3325 2801 A 158 LEU HA A 161 LYS H 1.0 0.0 6.5 3326 2802 A 162 TYR H A 158 LEU HA 1.0 0.0 6.5 3327 2803 A 159 GLY H A 158 LEU HBx 1.0 0.0 6.5 3328 2804 A 159 GLY H A 158 LEU HBy 1.0 0.0 6.5 3329 2805 A 159 GLY H A 158 LEU HG 1.0 0.0 6.5 3330 2806 A 158 LEU HD1% A 159 GLY H 1.0 0.0 6.5 3331 2807 A 159 GLY H A 158 LEU HD2% 1.0 0.0 6.5 3332 2808 A 162 TYR H A 158 LEU HD2% 1.0 0.0 6.5 3333 2808 A 158 LEU HD1% A 162 TYR H 1.0 0.0 6.5 3334 2809 A 159 GLY H A 160 GLU H 1.0 0.0 5.5 3335 2810 A 159 GLY H A 161 LYS H 1.0 0.0 6.5 3336 2811 A 160 GLU H A 159 GLY HAx 1.0 0.0 5.5 3337 2811 A 160 GLU H A 159 GLY HAy 1.0 0.0 5.5 3338 2812 A 161 LYS H A 159 GLY HAx 1.0 0.0 6.5 3339 2812 A 161 LYS H A 159 GLY HAy 1.0 0.0 6.5 3340 2813 A 162 TYR H A 159 GLY HAx 1.0 0.0 6.5 3341 2813 A 162 TYR H A 159 GLY HAy 1.0 0.0 6.5 3342 2814 A 162 TYR HA A 159 GLY HAx 1.0 0.0 6.5 3343 2814 A 162 TYR HA A 159 GLY HAy 1.0 0.0 6.5 3344 2815 A 163 GLY H A 159 GLY HAx 1.0 0.0 5.5 3345 2815 A 159 GLY HAy A 163 GLY H 1.0 0.0 5.5 3346 2816 A 160 GLU H A 160 GLU HGx 1.0 0.0 6.5 3347 2817 A 160 GLU H A 160 GLU HGy 1.0 0.0 6.5 3348 2818 A 160 GLU H A 160 GLU HBx 1.0 0.0 5.0 3349 2818 A 160 GLU H A 160 GLU HBy 1.0 0.0 5.0 3350 2819 A 160 GLU H A 160 GLU HGx 1.0 0.0 5.5 3351 2819 A 160 GLU H A 160 GLU HGy 1.0 0.0 5.5 3352 2820 A 160 GLU H A 161 LYS H 1.0 0.0 5.5 3353 2821 A 162 TYR H A 160 GLU H 1.0 0.0 6.5 3354 2822 A 160 GLU H A 163 GLY H 1.0 0.0 6.5 3355 2823 A 162 TYR H A 160 GLU HA 1.0 0.0 6.5 3356 2824 A 163 GLY H A 160 GLU HA 1.0 0.0 6.5 3357 2825 A 161 LYS H A 160 GLU HGx 1.0 0.0 6.5 3358 2826 A 161 LYS H A 160 GLU HGy 1.0 0.0 6.5 3359 2827 A 161 LYS H A 160 GLU HBx 1.0 0.0 6.5 3360 2827 A 161 LYS H A 160 GLU HBy 1.0 0.0 6.5 3361 2828 A 162 TYR H A 160 GLU HBx 1.0 0.0 6.5 3362 2828 A 162 TYR H A 160 GLU HBy 1.0 0.0 6.5 3363 2829 A 163 GLY H A 160 GLU HBx 1.0 0.0 6.5 3364 2829 A 163 GLY H A 160 GLU HBy 1.0 0.0 6.5 3365 2830 A 161 LYS H A 161 LYS HBx 1.0 0.0 6.5 3366 2831 A 161 LYS H A 161 LYS HBy 1.0 0.0 6.5 3367 2832 A 161 LYS H A 161 LYS HDx 1.0 0.0 6.5 3368 2833 A 161 LYS H A 161 LYS HDy 1.0 0.0 6.5 3369 2834 A 161 LYS H A 161 LYS HGx 1.0 0.0 6.5 3370 2835 A 161 LYS H A 161 LYS HGy 1.0 0.0 6.5 3371 2836 A 161 LYS H A 161 LYS HBy 1.0 0.0 5.5 3372 2836 A 161 LYS H A 161 LYS HBx 1.0 0.0 5.5 3373 2837 A 161 LYS H A 161 LYS HEx 1.0 0.0 6.5 3374 2837 A 161 LYS H A 161 LYS HEy 1.0 0.0 6.5 3375 2838 A 161 LYS H A 161 LYS HGx 1.0 0.0 6.5 3376 2838 A 161 LYS H A 161 LYS HGy 1.0 0.0 6.5 3377 2839 A 162 TYR H A 161 LYS H 1.0 0.0 5.5 3378 2840 A 161 LYS H A 163 GLY H 1.0 0.0 6.5 3379 2841 A 163 GLY H A 161 LYS HA 1.0 0.0 6.5 3380 2842 A 162 TYR H A 161 LYS HDx 1.0 0.0 5.0 3381 2843 A 163 GLY H A 161 LYS HDx 1.0 0.0 6.5 3382 2844 A 162 TYR H A 161 LYS HDy 1.0 0.0 5.0 3383 2845 A 163 GLY H A 161 LYS HDy 1.0 0.0 6.5 3384 2846 A 162 TYR H A 161 LYS HGx 1.0 0.0 6.5 3385 2847 A 163 GLY H A 161 LYS HGx 1.0 0.0 6.5 3386 2848 A 162 TYR H A 161 LYS HGy 1.0 0.0 6.5 3387 2849 A 163 GLY H A 161 LYS HGy 1.0 0.0 6.5 3388 2850 A 162 TYR H A 161 LYS HBy 1.0 0.0 5.5 3389 2850 A 162 TYR H A 161 LYS HBx 1.0 0.0 5.5 3390 2851 A 163 GLY H A 161 LYS HBy 1.0 0.0 6.5 3391 2851 A 163 GLY H A 161 LYS HBx 1.0 0.0 6.5 3392 2852 A 162 TYR H A 161 LYS HEx 1.0 0.0 6.5 3393 2852 A 162 TYR H A 161 LYS HEy 1.0 0.0 6.5 3394 2853 A 162 TYR H A 161 LYS HGx 1.0 0.0 5.5 3395 2853 A 162 TYR H A 161 LYS HGy 1.0 0.0 5.5 3396 2854 A 163 GLY H A 161 LYS HGx 1.0 0.0 6.5 3397 2854 A 163 GLY H A 161 LYS HGy 1.0 0.0 6.5 3398 2855 A 162 TYR H A 162 TYR HBx 1.0 0.0 6.5 3399 2856 A 162 TYR H A 162 TYR HBy 1.0 0.0 6.5 3400 2857 A 162 TYR H A 162 TYR HDx 1.0 0.0 6.5 3401 2858 A 162 TYR H A 162 TYR HDy 1.0 0.0 6.5 3402 2859 A 162 TYR H A 162 TYR HE1 1.0 0.0 6.5 3403 2860 A 162 TYR H A 162 TYR HE2 1.0 0.0 6.5 3404 2861 A 162 TYR H A 162 TYR HBy 1.0 0.0 5.5 3405 2861 A 162 TYR H A 162 TYR HBx 1.0 0.0 5.5 3406 2862 A 162 TYR H A 163 GLY H 1.0 0.0 5.0 3407 2863 A 162 TYR H A 164 ASP H 1.0 0.0 6.5 3408 2864 A 162 TYR HA A 163 GLY H 1.0 0.0 5.5 3409 2865 A 162 TYR HBx A 163 GLY H 1.0 0.0 6.5 3410 2866 A 163 GLY H A 162 TYR HBy 1.0 0.0 6.5 3411 2867 A 163 GLY H A 162 TYR HDx 1.0 0.0 6.5 3412 2868 A 163 GLY H A 162 TYR HDy 1.0 0.0 6.5 3413 2869 A 163 GLY H A 162 TYR HBy 1.0 0.0 5.5 3414 2869 A 162 TYR HBx A 163 GLY H 1.0 0.0 5.5 3415 2870 A 163 GLY H A 164 ASP H 1.0 0.0 6.5 3416 2871 A 163 GLY H A 165 HIS H 1.0 0.0 6.5 3417 2872 A 164 ASP H A 163 GLY HAx 1.0 0.0 5.5 3418 2873 A 164 ASP H A 163 GLY HAy 1.0 0.0 5.5 3419 2874 A 164 ASP H A 164 ASP HBx 1.0 0.0 5.5 3420 2875 A 164 ASP H A 164 ASP HBy 1.0 0.0 5.5 3421 2876 A 164 ASP H A 165 HIS H 1.0 0.0 6.5 3422 2877 A 165 HIS H A 164 ASP HA 1.0 0.0 5.0 3423 2878 A 165 HIS H A 164 ASP HBx 1.0 0.0 6.5 3424 2879 A 165 HIS H A 164 ASP HBy 1.0 0.0 6.5 3425 2880 A 165 HIS H A 164 ASP HBy 1.0 0.0 6.5 3426 2880 A 165 HIS H A 164 ASP HBx 1.0 0.0 6.5 3427 2881 A 165 HIS H A 165 HIS HBx 1.0 0.0 6.5 3428 2882 A 165 HIS H A 165 HIS HBy 1.0 0.0 6.5 3429 2883 A 165 HIS H A 165 HIS HD2 1.0 0.0 6.5 3430 2884 A 165 HIS H A 165 HIS HE1 1.0 0.0 6.5 3431 2885 A 165 HIS H A 165 HIS HBy 1.0 0.0 5.5 3432 2885 A 165 HIS H A 165 HIS HBx 1.0 0.0 5.5 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 154 LEU H A 150 SER O 1.0 0.0 4.5 2 2 A 150 SER O A 154 LEU N 1.0 0.0 4.5 3 3 A 155 LEU H A 151 HIS O 1.0 0.0 4.5 4 4 A 151 HIS O A 155 LEU N 1.0 0.0 4.5 5 5 A 156 ASN H A 152 LYS O 1.0 0.0 4.5 6 6 A 152 LYS O A 156 ASN N 1.0 0.0 4.5 7 7 A 157 LYS H A 153 GLU O 1.0 0.0 4.5 8 8 A 153 GLU O A 157 LYS N 1.0 0.0 4.5 9 9 A 159 GLY H A 155 LEU O 1.0 0.0 4.5 10 10 A 155 LEU O A 159 GLY N 1.0 0.0 4.5 11 11 A 160 GLU H A 156 ASN O 1.0 0.0 4.5 12 12 A 156 ASN O A 160 GLU N 1.0 0.0 4.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 SER N A 2 SER CA A 2 SER C 1.0 -99.1 -40.6 PHI 2 2 A 2 SER C A 3 SER N A 3 SER CA A 3 SER C 1.0 -125.9 -61.2 PHI 3 3 A 3 SER N A 3 SER CA A 3 SER C A 4 GLY N 1.0 -30.8 43.0 PSI 4 4 A 3 SER C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 74.8 114.8 PHI 5 5 A 4 GLY C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -118.3 -51.7 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 MET N 1.0 124.6 174.7 PSI 7 7 A 5 VAL C A 6 MET N A 6 MET CA A 6 MET C 1.0 -173.0 -100.4 PHI 8 8 A 6 MET N A 6 MET CA A 6 MET C A 7 VAL N 1.0 106.1 170.0 PSI 9 9 A 6 MET C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -137.2 -76.9 PHI 10 10 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 ASP N 1.0 103.3 143.3 PSI 11 11 A 7 VAL C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -173.6 -33.6 PHI 12 12 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 PRO N 1.0 90.5 181.4 PSI 13 13 A 9 PRO C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -89.8 -49.8 PHI 14 14 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 VAL N 1.0 -58.6 -4.2 PSI 15 15 A 10 ASP C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -83.6 -43.6 PHI 16 16 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLN N 1.0 -63.4 -23.4 PSI 17 17 A 11 VAL C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -83.7 -43.7 PHI 18 18 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 THR N 1.0 -58.7 -18.7 PSI 19 19 A 12 GLN C A 13 THR N A 13 THR CA A 13 THR C 1.0 -85.3 -45.3 PHI 20 20 A 13 THR N A 13 THR CA A 13 THR C A 14 SER N 1.0 -60.4 -20.4 PSI 21 21 A 13 THR C A 14 SER N A 14 SER CA A 14 SER C 1.0 -85.8 -45.8 PHI 22 22 A 14 SER N A 14 SER CA A 14 SER C A 15 PHE N 1.0 -60.2 -20.2 PSI 23 23 A 14 SER C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -86.2 -46.2 PHI 24 24 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 GLN N 1.0 -57.8 -17.8 PSI 25 25 A 15 PHE C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -84.3 -44.3 PHI 26 26 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 LYS N 1.0 -53.9 -9.0 PSI 27 27 A 16 GLN C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -94.4 -45.5 PHI 28 28 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 LEU N 1.0 -62.8 8.7 PSI 29 29 A 17 LYS C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -128.3 -51.4 PHI 30 30 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 SER N 1.0 -80.2 18.6 PSI 31 31 A 18 LEU C A 19 SER N A 19 SER CA A 19 SER C 1.0 -118.9 -59.2 PHI 32 32 A 19 SER N A 19 SER CA A 19 SER C A 20 GLU N 1.0 -69.5 21.9 PSI 33 33 A 21 GLY C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -108.0 -48.0 PHI 34 34 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 -68.4 29.6 PSI 35 35 A 23 LYS C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -122.8 -66.5 PHI 36 36 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 TYR N 1.0 -58.7 21.0 PSI 37 37 A 24 GLU C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -181.0 -72.9 PHI 38 38 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ARG N 1.0 125.4 193.0 PSI 39 39 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 TYR N 1.0 119.5 191.8 PSI 40 40 A 26 ARG C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -159.9 -101.4 PHI 41 41 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 ILE N 1.0 138.0 178.0 PSI 42 42 A 27 TYR C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -173.0 -100.4 PHI 43 43 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 ILE N 1.0 106.1 170.0 PSI 44 44 A 28 ILE C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -145.6 -105.6 PHI 45 45 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 PHE N 1.0 106.2 146.2 PSI 46 46 A 29 ILE C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -152.3 -90.7 PHI 47 47 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 118.0 177.9 PSI 48 48 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -177.3 -105.9 PHI 49 49 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 ASP N 1.0 106.7 147.5 PSI 50 50 A 32 ILE C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -145.9 -105.9 PHI 51 51 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 GLU N 1.0 66.7 206.7 PSI 52 52 A 35 ASN C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -143.9 -93.9 PHI 53 53 A 36 LYS C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -142.3 -59.8 PHI 54 54 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 ILE N 1.0 77.2 201.8 PSI 55 55 A 37 VAL C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -159.0 -119.0 PHI 56 56 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 139.3 179.3 PSI 57 57 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -106.4 -44.4 PHI 58 58 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 GLU N 1.0 103.4 143.4 PSI 59 59 A 39 VAL C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -111.3 -70.2 PHI 60 60 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ALA N 1.0 -85.6 22.7 PSI 61 61 A 40 GLU C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -175.3 -135.3 PHI 62 62 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 ALA N 1.0 116.7 162.2 PSI 63 63 A 41 ALA C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -157.6 -68.7 PHI 64 64 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 VAL N 1.0 75.5 162.6 PSI 65 65 A 43 VAL C A 44 THR N A 44 THR CA A 44 THR C 1.0 -115.1 -67.3 PHI 66 66 A 44 THR N A 44 THR CA A 44 THR C A 45 GLN N 1.0 149.6 189.6 PSI 67 67 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 ASP N 1.0 -59.9 -19.9 PSI 68 68 A 45 GLN C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -84.0 -44.0 PHI 69 69 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 GLN N 1.0 -60.9 -16.5 PSI 70 70 A 46 ASP C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -90.4 -50.4 PHI 71 71 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 LEU N 1.0 -59.5 -13.1 PSI 72 72 A 47 GLN C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -118.7 -59.3 PHI 73 73 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLY N 1.0 -52.9 28.5 PSI 74 74 A 49 GLY C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -175.5 -35.5 PHI 75 75 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 THR N 1.0 70.1 210.1 PSI 76 76 A 51 THR C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 -230.6 -90.6 PHI 77 77 A 52 GLY C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -111.4 -49.2 PHI 78 78 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 ASP N 1.0 105.3 181.9 PSI 79 79 A 53 ASP C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -77.0 -37.0 PHI 80 80 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 TYR N 1.0 -63.5 -12.1 PSI 81 81 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 ASP N 1.0 -58.0 -17.5 PSI 82 82 A 55 TYR C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -83.8 -43.8 PHI 83 83 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 ASP N 1.0 -55.4 -15.4 PSI 84 84 A 56 ASP C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -124.5 -71.7 PHI 85 85 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 SER N 1.0 -43.3 26.8 PSI 86 86 A 58 SER C A 59 SER N A 59 SER CA A 59 SER C 1.0 -140.8 -49.5 PHI 87 87 A 59 SER N A 59 SER CA A 59 SER C A 60 LYS N 1.0 -60.5 30.2 PSI 88 88 A 59 SER C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -76.0 -36.0 PHI 89 89 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 ALA N 1.0 -68.5 -28.5 PSI 90 90 A 60 LYS C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -81.7 -41.7 PHI 91 91 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ALA N 1.0 -64.1 -24.1 PSI 92 92 A 61 ALA C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -86.8 -46.8 PHI 93 93 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 PHE N 1.0 -61.1 -21.1 PSI 94 94 A 62 ALA C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -83.8 -43.8 PHI 95 95 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 ASP N 1.0 -63.9 -23.9 PSI 96 96 A 63 PHE C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -83.5 -43.5 PHI 97 97 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 LYS N 1.0 -61.1 -21.1 PSI 98 98 A 64 ASP C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -86.3 -46.3 PHI 99 99 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 PHE N 1.0 -56.7 -16.7 PSI 100 100 A 65 LYS C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -108.7 -42.8 PHI 101 101 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 VAL N 1.0 -57.8 -16.2 PSI 102 102 A 66 PHE C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -82.3 -42.3 PHI 103 103 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 GLU N 1.0 -64.3 -24.3 PSI 104 104 A 67 VAL C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -83.5 -43.5 PHI 105 105 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 ASP N 1.0 -62.2 -22.2 PSI 106 106 A 68 GLU C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -84.7 -44.7 PHI 107 107 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 VAL N 1.0 -65.1 -25.1 PSI 108 108 A 69 ASP C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -84.7 -44.7 PHI 109 109 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 LYS N 1.0 -61.0 -21.0 PSI 110 110 A 70 VAL C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -83.3 -43.3 PHI 111 111 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 SER N 1.0 -61.3 -21.3 PSI 112 112 A 71 LYS C A 72 SER N A 72 SER CA A 72 SER C 1.0 -83.8 -43.8 PHI 113 113 A 72 SER N A 72 SER CA A 72 SER C A 73 ARG N 1.0 -60.7 -20.7 PSI 114 114 A 72 SER C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -84.9 -44.9 PHI 115 115 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 THR N 1.0 -44.5 -4.2 PSI 116 116 A 78 THR C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -193.1 -77.1 PHI 117 117 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 CYS N 1.0 142.7 185.3 PSI 118 118 A 79 ASP C A 80 CYS N A 80 CYS CA A 80 CYS C 1.0 -196.3 -56.3 PHI 119 119 A 80 CYS N A 80 CYS CA A 80 CYS C A 81 ARG N 1.0 136.3 176.3 PSI 120 120 A 80 CYS C A 81 ARG N A 81 ARG CA A 81 ARG C 1.0 -161.9 -121.2 PHI 121 121 A 81 ARG N A 81 ARG CA A 81 ARG C A 82 TYR N 1.0 131.1 178.8 PSI 122 122 A 81 ARG C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -158.9 -111.6 PHI 123 123 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 ALA N 1.0 129.2 178.9 PSI 124 124 A 82 TYR C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -217.8 -77.8 PHI 125 125 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 VAL N 1.0 131.5 182.9 PSI 126 126 A 83 ALA C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -148.8 -99.8 PHI 127 127 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 PHE N 1.0 122.6 183.1 PSI 128 128 A 84 VAL C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -171.5 -74.8 PHI 129 129 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 ASP N 1.0 89.5 172.7 PSI 130 130 A 85 PHE C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -100.3 -46.8 PHI 131 131 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 PHE N 1.0 101.5 141.5 PSI 132 132 A 86 ASP C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -151.4 -78.4 PHI 133 133 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 LYS N 1.0 104.8 145.3 PSI 134 134 A 87 PHE C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -150.9 -81.7 PHI 135 135 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 PHE N 1.0 110.4 165.4 PSI 136 136 A 88 LYS C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -181.4 -104.3 PHI 137 137 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 THR N 1.0 140.7 187.4 PSI 138 138 A 89 PHE C A 90 THR N A 90 THR CA A 90 THR C 1.0 -159.1 -98.2 PHI 139 139 A 90 THR N A 90 THR CA A 90 THR C A 91 CYS N 1.0 122.8 166.6 PSI 140 140 A 90 THR C A 91 CYS N A 91 CYS CA A 91 CYS C 1.0 -158.7 -97.2 PHI 141 141 A 91 CYS N A 91 CYS CA A 91 CYS C A 92 SER N 1.0 113.5 157.8 PSI 142 142 A 91 CYS C A 92 SER N A 92 SER CA A 92 SER C 1.0 -162.5 -22.5 PHI 143 143 A 92 SER N A 92 SER CA A 92 SER C A 93 ARG N 1.0 85.8 167.0 PSI 144 144 A 92 SER C A 93 ARG N A 93 ARG CA A 93 ARG C 1.0 -138.2 -49.6 PHI 145 145 A 93 ARG N A 93 ARG CA A 93 ARG C A 94 VAL N 1.0 98.3 167.3 PSI 146 146 A 93 ARG C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -78.2 -36.1 PHI 147 147 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 GLY N 1.0 113.7 153.7 PSI 148 148 A 95 GLY C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -148.4 -8.4 PHI 149 149 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 GLY N 1.0 59.1 199.1 PSI 150 150 A 96 ALA C A 97 GLY N A 97 GLY CA A 97 GLY C 1.0 -168.3 -28.3 PHI 151 151 A 97 GLY N A 97 GLY CA A 97 GLY C A 98 THR N 1.0 83.8 223.8 PSI 152 152 A 97 GLY C A 98 THR N A 98 THR CA A 98 THR C 1.0 -167.0 -30.8 PHI 153 153 A 98 THR N A 98 THR CA A 98 THR C A 99 SER N 1.0 118.5 174.6 PSI 154 154 A 98 THR C A 99 SER N A 99 SER CA A 99 SER C 1.0 -193.1 -53.1 PHI 155 155 A 99 SER N A 99 SER CA A 99 SER C A 100 LYS N 1.0 85.8 225.8 PSI 156 156 A 99 SER C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -115.3 -62.0 PHI 157 157 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 MET N 1.0 100.1 158.9 PSI 158 158 A 100 LYS C A 101 MET N A 101 MET CA A 101 MET C 1.0 -175.9 -90.7 PHI 159 159 A 101 MET N A 101 MET CA A 101 MET C A 102 ASP N 1.0 96.1 210.7 PSI 160 160 A 101 MET C A 102 ASP N A 102 ASP CA A 102 ASP C 1.0 -151.3 -68.6 PHI 161 161 A 102 ASP N A 102 ASP CA A 102 ASP C A 103 LYS N 1.0 119.0 159.0 PSI 162 162 A 102 ASP C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -164.6 -109.9 PHI 163 163 A 103 LYS N A 103 LYS CA A 103 LYS C A 104 ILE N 1.0 110.1 187.7 PSI 164 164 A 103 LYS C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -111.3 -60.1 PHI 165 165 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 ILE N 1.0 111.4 179.5 PSI 166 166 A 104 ILE C A 105 ILE N A 105 ILE CA A 105 ILE C 1.0 -169.8 -95.1 PHI 167 167 A 105 ILE N A 105 ILE CA A 105 ILE C A 106 PHE N 1.0 110.4 171.6 PSI 168 168 A 105 ILE C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -145.3 -83.3 PHI 169 169 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 LEU N 1.0 103.0 156.5 PSI 170 170 A 106 PHE C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -134.8 -85.7 PHI 171 171 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 GLN N 1.0 103.4 147.1 PSI 172 172 A 107 LEU C A 108 GLN N A 108 GLN CA A 108 GLN C 1.0 -145.2 -62.8 PHI 173 173 A 108 GLN N A 108 GLN CA A 108 GLN C A 109 ILE N 1.0 100.2 143.6 PSI 174 174 A 108 GLN C A 109 ILE N A 109 ILE CA A 109 ILE C 1.0 -136.4 -75.7 PHI 175 175 A 109 ILE N A 109 ILE CA A 109 ILE C A 110 CYS N 1.0 92.7 148.3 PSI 176 176 A 109 ILE C A 110 CYS N A 110 CYS CA A 110 CYS C 1.0 -178.2 -61.8 PHI 177 177 A 110 CYS N A 110 CYS CA A 110 CYS C A 111 PRO N 1.0 54.0 189.8 PSI 178 178 A 112 ASP N A 112 ASP CA A 112 ASP C A 113 GLY N 1.0 -55.6 1.3 PSI 179 179 A 113 GLY C A 114 ALA N A 114 ALA CA A 114 ALA C 1.0 -176.2 -58.0 PHI 180 180 A 114 ALA N A 114 ALA CA A 114 ALA C A 115 SER N 1.0 94.9 174.5 PSI 181 181 A 114 ALA C A 115 SER N A 115 SER CA A 115 SER C 1.0 -155.9 -33.5 PHI 182 182 A 115 SER N A 115 SER CA A 115 SER C A 116 ILE N 1.0 73.5 183.9 PSI 183 183 A 115 SER C A 116 ILE N A 116 ILE CA A 116 ILE C 1.0 -82.2 -42.1 PHI 184 184 A 116 ILE N A 116 ILE CA A 116 ILE C A 117 LYS N 1.0 -51.0 -1.0 PSI 185 185 A 116 ILE C A 117 LYS N A 117 LYS CA A 117 LYS C 1.0 -84.5 -44.5 PHI 186 186 A 117 LYS C A 118 LYS N A 118 LYS CA A 118 LYS C 1.0 -85.1 -45.1 PHI 187 187 A 118 LYS N A 118 LYS CA A 118 LYS C A 119 LYS N 1.0 -61.8 -21.8 PSI 188 188 A 118 LYS C A 119 LYS N A 119 LYS CA A 119 LYS C 1.0 -84.6 -44.6 PHI 189 189 A 119 LYS N A 119 LYS CA A 119 LYS C A 120 MET N 1.0 -59.2 -19.2 PSI 190 190 A 119 LYS C A 120 MET N A 120 MET CA A 120 MET C 1.0 -85.2 -45.2 PHI 191 191 A 120 MET N A 120 MET CA A 120 MET C A 121 VAL N 1.0 -55.3 -15.3 PSI 192 192 A 120 MET C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -89.5 -49.5 PHI 193 193 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 TYR N 1.0 -59.4 -19.4 PSI 194 194 A 121 VAL C A 122 TYR N A 122 TYR CA A 122 TYR C 1.0 -85.9 -45.9 PHI 195 195 A 122 TYR N A 122 TYR CA A 122 TYR C A 123 ALA N 1.0 -57.7 -17.7 PSI 196 196 A 122 TYR C A 123 ALA N A 123 ALA CA A 123 ALA C 1.0 -87.3 -47.3 PHI 197 197 A 123 ALA N A 123 ALA CA A 123 ALA C A 124 SER N 1.0 -61.1 -21.1 PSI 198 198 A 123 ALA C A 124 SER N A 124 SER CA A 124 SER C 1.0 -85.1 -45.1 PHI 199 199 A 124 SER N A 124 SER CA A 124 SER C A 125 SER N 1.0 -45.0 -5.0 PSI 200 200 A 124 SER C A 125 SER N A 125 SER CA A 125 SER C 1.0 -97.9 -40.8 PHI 201 201 A 125 SER N A 125 SER CA A 125 SER C A 126 ALA N 1.0 -65.6 27.0 PSI 202 202 A 125 SER C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -79.7 -39.7 PHI 203 203 A 126 ALA N A 126 ALA CA A 126 ALA C A 127 ALA N 1.0 -65.1 -25.1 PSI 204 204 A 126 ALA C A 127 ALA N A 127 ALA CA A 127 ALA C 1.0 -80.2 -40.2 PHI 205 205 A 127 ALA N A 127 ALA CA A 127 ALA C A 128 ALA N 1.0 -63.9 -23.9 PSI 206 206 A 127 ALA C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -81.6 -41.6 PHI 207 207 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 ILE N 1.0 -55.7 -15.7 PSI 208 208 A 128 ALA C A 129 ILE N A 129 ILE CA A 129 ILE C 1.0 -86.8 -46.8 PHI 209 209 A 129 ILE N A 129 ILE CA A 129 ILE C A 130 LYS N 1.0 -73.4 6.3 PSI 210 210 A 129 ILE C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -78.5 -38.5 PHI 211 211 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 THR N 1.0 -64.2 -24.2 PSI 212 212 A 130 LYS C A 131 THR N A 131 THR CA A 131 THR C 1.0 -83.3 -43.3 PHI 213 213 A 131 THR N A 131 THR CA A 131 THR C A 132 SER N 1.0 -61.7 -21.7 PSI 214 214 A 131 THR C A 132 SER N A 132 SER CA A 132 SER C 1.0 -87.9 -47.9 PHI 215 215 A 132 SER N A 132 SER CA A 132 SER C A 133 LEU N 1.0 -58.5 -10.6 PSI 216 216 A 132 SER C A 133 LEU N A 133 LEU CA A 133 LEU C 1.0 -107.0 -64.1 PHI 217 217 A 133 LEU N A 133 LEU CA A 133 LEU C A 134 GLY N 1.0 -24.3 16.8 PSI 218 218 A 135 THR C A 136 GLY N A 136 GLY CA A 136 GLY C 1.0 51.9 104.5 PHI 219 219 A 136 GLY N A 136 GLY CA A 136 GLY C A 137 LYS N 1.0 -29.5 52.9 PSI 220 220 A 137 LYS C A 138 ILE N A 138 ILE CA A 138 ILE C 1.0 -167.1 -77.2 PHI 221 221 A 138 ILE N A 138 ILE CA A 138 ILE C A 139 LEU N 1.0 128.8 188.4 PSI 222 222 A 138 ILE C A 139 LEU N A 139 LEU CA A 139 LEU C 1.0 -143.8 -84.2 PHI 223 223 A 139 LEU N A 139 LEU CA A 139 LEU C A 140 GLN N 1.0 100.2 146.0 PSI 224 224 A 139 LEU C A 140 GLN N A 140 GLN CA A 140 GLN C 1.0 -158.4 -62.9 PHI 225 225 A 140 GLN N A 140 GLN CA A 140 GLN C A 141 PHE N 1.0 98.5 171.7 PSI 226 226 A 140 GLN C A 141 PHE N A 141 PHE CA A 141 PHE C 1.0 -165.0 -88.3 PHI 227 227 A 141 PHE N A 141 PHE CA A 141 PHE C A 142 GLN N 1.0 94.4 170.1 PSI 228 228 A 141 PHE C A 142 GLN N A 142 GLN CA A 142 GLN C 1.0 -151.5 -77.0 PHI 229 229 A 142 GLN N A 142 GLN CA A 142 GLN C A 143 VAL N 1.0 102.9 173.4 PSI 230 230 A 142 GLN C A 143 VAL N A 143 VAL CA A 143 VAL C 1.0 -157.8 -105.2 PHI 231 231 A 143 VAL N A 143 VAL CA A 143 VAL C A 144 SER N 1.0 126.2 170.3 PSI 232 232 A 143 VAL C A 144 SER N A 144 SER CA A 144 SER C 1.0 -145.8 -66.6 PHI 233 233 A 145 ASP N A 145 ASP CA A 145 ASP C A 146 GLU N 1.0 143.2 183.2 PSI 234 234 A 145 ASP C A 146 GLU N A 146 GLU CA A 146 GLU C 1.0 -80.7 -40.7 PHI 235 235 A 146 GLU N A 146 GLU CA A 146 GLU C A 147 SER N 1.0 -54.1 -14.1 PSI 236 236 A 146 GLU C A 147 SER N A 147 SER CA A 147 SER C 1.0 -86.1 -46.1 PHI 237 237 A 147 SER N A 147 SER CA A 147 SER C A 148 GLU N 1.0 -57.9 -17.9 PSI 238 238 A 147 SER C A 148 GLU N A 148 GLU CA A 148 GLU C 1.0 -98.6 -49.3 PHI 239 239 A 148 GLU N A 148 GLU CA A 148 GLU C A 149 MET N 1.0 -49.1 2.3 PSI 240 240 A 149 MET C A 150 SER N A 150 SER CA A 150 SER C 1.0 -128.2 -54.0 PHI 241 241 A 150 SER N A 150 SER CA A 150 SER C A 151 HIS N 1.0 100.7 168.0 PSI 242 242 A 150 SER C A 151 HIS N A 151 HIS CA A 151 HIS C 1.0 -74.9 -34.9 PHI 243 243 A 151 HIS N A 151 HIS CA A 151 HIS C A 152 LYS N 1.0 -66.3 -26.3 PSI 244 244 A 151 HIS C A 152 LYS N A 152 LYS CA A 152 LYS C 1.0 -79.1 -39.1 PHI 245 245 A 152 LYS N A 152 LYS CA A 152 LYS C A 153 GLU N 1.0 -58.6 -18.6 PSI 246 246 A 152 LYS C A 153 GLU N A 153 GLU CA A 153 GLU C 1.0 -86.6 -46.6 PHI 247 247 A 153 GLU N A 153 GLU CA A 153 GLU C A 154 LEU N 1.0 -60.5 -20.5 PSI 248 248 A 153 GLU C A 154 LEU N A 154 LEU CA A 154 LEU C 1.0 -84.8 -44.8 PHI 249 249 A 154 LEU N A 154 LEU CA A 154 LEU C A 155 LEU N 1.0 -61.8 -21.8 PSI 250 250 A 154 LEU C A 155 LEU N A 155 LEU CA A 155 LEU C 1.0 -85.9 -45.9 PHI 251 251 A 155 LEU N A 155 LEU CA A 155 LEU C A 156 ASN N 1.0 -58.3 -18.3 PSI 252 252 A 155 LEU C A 156 ASN N A 156 ASN CA A 156 ASN C 1.0 -86.3 -46.3 PHI 253 253 A 156 ASN N A 156 ASN CA A 156 ASN C A 157 LYS N 1.0 -60.7 -20.7 PSI 254 254 A 156 ASN C A 157 LYS N A 157 LYS CA A 157 LYS C 1.0 -84.9 -44.9 PHI 255 255 A 157 LYS N A 157 LYS CA A 157 LYS C A 158 LEU N 1.0 -62.3 -22.3 PSI 256 256 A 157 LYS C A 158 LEU N A 158 LEU CA A 158 LEU C 1.0 -82.1 -42.1 PHI 257 257 A 158 LEU N A 158 LEU CA A 158 LEU C A 159 GLY N 1.0 -71.8 -11.8 PSI 258 258 A 159 GLY N A 159 GLY CA A 159 GLY C A 160 GLU N 1.0 -58.3 -18.3 PSI 259 259 A 159 GLY C A 160 GLU N A 160 GLU CA A 160 GLU C 1.0 -90.9 -50.9 PHI 260 260 A 160 GLU N A 160 GLU CA A 160 GLU C A 161 LYS N 1.0 -69.8 -0.3 PSI 261 261 A 160 GLU C A 161 LYS N A 161 LYS CA A 161 LYS C 1.0 -85.0 -45.0 PHI 262 262 A 161 LYS N A 161 LYS CA A 161 LYS C A 162 TYR N 1.0 -84.8 29.8 PSI 263 263 A 161 LYS C A 162 TYR N A 162 TYR CA A 162 TYR C 1.0 -122.0 -69.7 PHI 264 264 A 162 TYR N A 162 TYR CA A 162 TYR C A 163 GLY N 1.0 -65.2 49.4 PSI 265 265 A 163 GLY C A 164 ASP N A 164 ASP CA A 164 ASP C 1.0 -160.5 -20.5 PHI 266 266 A 164 ASP N A 164 ASP CA A 164 ASP C A 165 HIS N 1.0 102.8 165.0 PSI stop_ save_