NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
2809 | 1cmf | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 555 H/Q atoms Start of MODEL 1 1 1H MET 76 1H MET 76 -5.903 -4.498 -17.880 2 2H MET 76 2H MET 76 -5.977 -5.198 -16.334 3 3H MET 76 3H MET 76 -5.772 -6.182 -17.700 4 HA MET 76 HA MET 76 -7.940 -6.215 -18.192 5 1HB MET 76 1HB MET 76 -7.518 -5.919 -15.378 6 2HB MET 76 2HB MET 76 -9.007 -5.073 -15.799 7 1HG MET 76 1HG MET 76 -9.249 -7.371 -17.276 8 2HG MET 76 2HG MET 76 -8.413 -7.960 -15.839 9 1HE MET 76 1HE MET 76 -8.905 -6.770 -13.633 10 2HE MET 76 2HE MET 76 -10.522 -6.782 -12.933 11 3HE MET 76 3HE MET 76 -9.748 -8.299 -13.406 12 H LYS 77 H LYS 77 -7.809 -3.224 -16.217 13 HA LYS 77 HA LYS 77 -8.476 -1.548 -18.495 14 1HB LYS 77 1HB LYS 77 -10.710 -0.836 -17.541 15 2HB LYS 77 2HB LYS 77 -10.686 -2.468 -18.211 16 1HG LYS 77 1HG LYS 77 -9.885 -2.795 -15.550 17 2HG LYS 77 2HG LYS 77 -11.192 -1.614 -15.477 18 1HD LYS 77 1HD LYS 77 -11.439 -4.155 -17.092 19 2HD LYS 77 2HD LYS 77 -11.868 -4.095 -15.381 20 1HE LYS 77 1HE LYS 77 -12.994 -1.859 -16.893 21 2HE LYS 77 2HE LYS 77 -13.544 -3.423 -17.491 22 1HZ LYS 77 1HZ LYS 77 -14.080 -4.012 -15.164 23 2HZ LYS 77 2HZ LYS 77 -13.705 -2.420 -14.703 24 3HZ LYS 77 3HZ LYS 77 -15.002 -2.718 -15.760 25 H ASP 78 H ASP 78 -6.931 -0.072 -17.857 26 HA ASP 78 HA ASP 78 -5.980 1.671 -16.613 27 1HB ASP 78 1HB ASP 78 -8.147 2.692 -16.559 28 2HB ASP 78 2HB ASP 78 -8.730 1.541 -15.356 29 H THR 79 H THR 79 -7.826 0.786 -13.779 30 HA THR 79 HA THR 79 -5.643 -0.904 -12.731 31 HB THR 79 HB THR 79 -6.223 1.054 -10.717 32 HG1 THR 79 HG1 THR 79 -6.500 2.692 -12.017 33 1HG2 THR 79 1HG2 THR 79 -3.880 -0.033 -12.206 34 2HG2 THR 79 2HG2 THR 79 -3.653 1.480 -11.329 35 3HG2 THR 79 3HG2 THR 79 -4.176 0.033 -10.468 36 H ASP 80 H ASP 80 -7.706 -2.262 -12.989 37 HA ASP 80 HA ASP 80 -9.734 -1.784 -10.896 38 1HB ASP 80 1HB ASP 80 -10.375 -2.590 -13.183 39 2HB ASP 80 2HB ASP 80 -9.505 -4.088 -12.854 40 H SER 81 H SER 81 -6.712 -2.966 -10.804 41 HA SER 81 HA SER 81 -7.301 -5.372 -9.183 42 1HB SER 81 1HB SER 81 -5.431 -5.487 -10.775 43 2HB SER 81 2HB SER 81 -4.668 -4.101 -9.998 44 HG SER 81 HG SER 81 -5.392 -6.329 -8.454 45 H GLU 82 H GLU 82 -6.794 -2.022 -8.745 46 HA GLU 82 HA GLU 82 -5.721 -2.328 -6.012 47 1HB GLU 82 1HB GLU 82 -6.713 0.290 -7.077 48 2HB GLU 82 2HB GLU 82 -5.323 -0.044 -6.041 49 1HG GLU 82 1HG GLU 82 -4.321 -1.264 -8.075 50 2HG GLU 82 2HG GLU 82 -5.572 -0.460 -9.022 51 H GLU 83 H GLU 83 -8.477 -3.290 -6.882 52 HA GLU 83 HA GLU 83 -10.347 -1.543 -5.495 53 1HB GLU 83 1HB GLU 83 -11.943 -2.851 -6.440 54 2HB GLU 83 2HB GLU 83 -10.617 -3.546 -7.365 55 1HG GLU 83 1HG GLU 83 -10.365 -5.343 -5.748 56 2HG GLU 83 2HG GLU 83 -11.561 -4.600 -4.687 57 H GLU 84 H GLU 84 -8.889 -4.722 -4.773 58 HA GLU 84 HA GLU 84 -9.962 -4.758 -2.068 59 1HB GLU 84 1HB GLU 84 -9.152 -6.748 -3.597 60 2HB GLU 84 2HB GLU 84 -7.571 -6.373 -2.909 61 1HG GLU 84 1HG GLU 84 -9.087 -6.348 -0.657 62 2HG GLU 84 2HG GLU 84 -9.965 -7.543 -1.611 63 H ILE 85 H ILE 85 -7.083 -3.556 -3.627 64 HA ILE 85 HA ILE 85 -5.490 -3.279 -1.222 65 HB ILE 85 HB ILE 85 -5.339 -1.987 -3.958 66 1HG1 ILE 85 1HG1 ILE 85 -3.119 -3.467 -3.727 67 2HG1 ILE 85 2HG1 ILE 85 -4.141 -4.362 -2.600 68 1HG2 ILE 85 1HG2 ILE 85 -4.392 -0.503 -2.187 69 2HG2 ILE 85 2HG2 ILE 85 -3.341 -1.827 -1.679 70 3HG2 ILE 85 3HG2 ILE 85 -3.154 -1.120 -3.284 71 1HD1 ILE 85 1HD1 ILE 85 -5.734 -3.804 -4.880 72 2HD1 ILE 85 2HD1 ILE 85 -4.185 -4.403 -5.475 73 3HD1 ILE 85 3HD1 ILE 85 -5.132 -5.373 -4.345 74 H ARG 86 H ARG 86 -6.951 -0.727 -3.286 75 HA ARG 86 HA ARG 86 -6.676 1.395 -1.525 76 1HB ARG 86 1HB ARG 86 -7.962 2.515 -3.012 77 2HB ARG 86 2HB ARG 86 -8.020 1.009 -3.917 78 1HG ARG 86 1HG ARG 86 -10.280 1.608 -3.703 79 2HG ARG 86 2HG ARG 86 -10.054 0.442 -2.401 80 1HD ARG 86 1HD ARG 86 -9.456 2.550 -0.955 81 2HD ARG 86 2HD ARG 86 -10.292 3.438 -2.231 82 HE ARG 86 HE ARG 86 -11.563 1.778 -0.228 83 1HH1 ARG 86 1HH1 ARG 86 -12.012 3.829 -2.846 84 2HH1 ARG 86 2HH1 ARG 86 -13.571 3.215 -3.286 85 1HH2 ARG 86 1HH2 ARG 86 -13.443 0.553 -1.069 86 2HH2 ARG 86 2HH2 ARG 86 -14.380 1.362 -2.280 87 H GLU 87 H GLU 87 -9.169 -1.146 -1.433 88 HA GLU 87 HA GLU 87 -10.698 0.016 0.694 89 1HB GLU 87 1HB GLU 87 -11.671 -1.812 -0.529 90 2HB GLU 87 2HB GLU 87 -10.286 -2.853 -0.200 91 1HG GLU 87 1HG GLU 87 -12.024 -3.530 1.306 92 2HG GLU 87 2HG GLU 87 -10.845 -2.636 2.264 93 H ALA 88 H ALA 88 -8.136 -2.479 0.744 94 HA ALA 88 HA ALA 88 -7.840 -2.162 3.664 95 1HB ALA 88 1HB ALA 88 -7.607 -4.392 2.432 96 2HB ALA 88 2HB ALA 88 -6.088 -3.770 1.787 97 3HB ALA 88 3HB ALA 88 -6.285 -3.985 3.527 98 H PHE 89 H PHE 89 -7.372 0.172 3.165 99 HA PHE 89 HA PHE 89 -4.751 0.957 3.664 100 1HB PHE 89 1HB PHE 89 -4.731 -0.053 1.104 101 2HB PHE 89 2HB PHE 89 -5.111 1.634 0.793 102 HD1 PHE 89 HD1 PHE 89 -3.027 0.297 3.593 103 HD2 PHE 89 HD2 PHE 89 -3.069 2.418 -0.138 104 HE1 PHE 89 HE1 PHE 89 -0.663 0.939 3.926 105 HE2 PHE 89 HE2 PHE 89 -0.698 3.040 0.185 106 HZ PHE 89 HZ PHE 89 0.505 2.305 2.221 107 H ARG 90 H ARG 90 -7.862 1.522 2.248 108 HA ARG 90 HA ARG 90 -7.717 4.387 2.139 109 1HB ARG 90 1HB ARG 90 -10.112 4.289 1.767 110 2HB ARG 90 2HB ARG 90 -9.349 3.009 0.832 111 1HG ARG 90 1HG ARG 90 -10.250 1.342 2.111 112 2HG ARG 90 2HG ARG 90 -10.176 2.293 3.592 113 1HD ARG 90 1HD ARG 90 -12.492 1.769 2.288 114 2HD ARG 90 2HD ARG 90 -12.244 3.212 3.267 115 HE ARG 90 HE ARG 90 -11.439 3.530 0.466 116 1HH1 ARG 90 1HH1 ARG 90 -12.517 5.659 2.365 117 2HH1 ARG 90 2HH1 ARG 90 -14.082 5.955 1.681 118 1HH2 ARG 90 1HH2 ARG 90 -14.083 3.065 -0.235 119 2HH2 ARG 90 2HH2 ARG 90 -14.967 4.486 0.210 120 H VAL 91 H VAL 91 -8.119 2.042 4.573 121 HA VAL 91 HA VAL 91 -9.749 3.302 6.468 122 HB VAL 91 HB VAL 91 -7.227 1.676 6.903 123 1HG1 VAL 91 1HG1 VAL 91 -9.307 2.776 8.751 124 2HG1 VAL 91 2HG1 VAL 91 -8.663 1.168 9.085 125 3HG1 VAL 91 3HG1 VAL 91 -7.576 2.556 9.012 126 1HG2 VAL 91 1HG2 VAL 91 -9.500 0.886 5.648 127 2HG2 VAL 91 2HG2 VAL 91 -8.514 -0.199 6.628 128 3HG2 VAL 91 3HG2 VAL 91 -9.946 0.556 7.324 129 H PHE 92 H PHE 92 -6.548 4.084 5.392 130 HA PHE 92 HA PHE 92 -6.305 6.135 7.545 131 1HB PHE 92 1HB PHE 92 -4.200 4.894 5.754 132 2HB PHE 92 2HB PHE 92 -3.892 6.098 7.005 133 HD1 PHE 92 HD1 PHE 92 -4.231 5.537 9.399 134 HD2 PHE 92 HD2 PHE 92 -4.661 2.583 6.303 135 HE1 PHE 92 HE1 PHE 92 -4.098 3.736 11.098 136 HE2 PHE 92 HE2 PHE 92 -4.523 0.784 8.008 137 HZ PHE 92 HZ PHE 92 -4.245 1.361 10.402 138 H ASP 93 H ASP 93 -5.600 5.635 4.063 139 HA ASP 93 HA ASP 93 -5.819 8.579 3.678 140 1HB ASP 93 1HB ASP 93 -4.231 6.476 2.473 141 2HB ASP 93 2HB ASP 93 -5.143 7.345 1.239 142 H LYS 94 H LYS 94 -8.174 6.893 4.136 143 HA LYS 94 HA LYS 94 -9.570 6.094 1.851 144 1HB LYS 94 1HB LYS 94 -11.609 7.232 3.195 145 2HB LYS 94 2HB LYS 94 -10.879 5.710 3.702 146 1HG LYS 94 1HG LYS 94 -9.861 6.649 5.523 147 2HG LYS 94 2HG LYS 94 -9.568 8.181 4.702 148 1HD LYS 94 1HD LYS 94 -11.991 8.718 4.897 149 2HD LYS 94 2HD LYS 94 -12.229 7.217 5.793 150 1HE LYS 94 1HE LYS 94 -10.289 8.165 7.308 151 2HE LYS 94 2HE LYS 94 -10.790 9.714 6.630 152 1HZ LYS 94 1HZ LYS 94 -12.651 7.788 7.907 153 2HZ LYS 94 2HZ LYS 94 -11.939 9.098 8.721 154 3HZ LYS 94 3HZ LYS 94 -12.995 9.375 7.420 155 H ASP 95 H ASP 95 -10.022 9.326 3.320 156 HA ASP 95 HA ASP 95 -10.471 10.372 0.556 157 1HB ASP 95 1HB ASP 95 -12.378 10.603 2.170 158 2HB ASP 95 2HB ASP 95 -11.338 11.588 3.200 159 H GLY 96 H GLY 96 -7.975 9.991 2.427 160 1HA GLY 96 1HA GLY 96 -7.023 12.716 2.822 161 2HA GLY 96 2HA GLY 96 -6.074 11.244 3.035 162 H ASN 97 H ASN 97 -5.042 10.310 1.162 163 HA ASN 97 HA ASN 97 -5.240 11.742 -1.401 164 1HB ASN 97 1HB ASN 97 -2.887 12.004 0.450 165 2HB ASN 97 2HB ASN 97 -2.644 12.069 -1.296 166 1HD2 ASN 97 1HD2 ASN 97 -3.857 15.385 0.493 167 2HD2 ASN 97 2HD2 ASN 97 -3.051 14.101 1.258 168 H GLY 98 H GLY 98 -5.002 8.868 0.098 169 1HA GLY 98 1HA GLY 98 -4.631 6.761 -0.936 170 2HA GLY 98 2HA GLY 98 -3.855 7.593 -2.286 171 H TYR 99 H TYR 99 -1.897 9.067 -1.032 172 HA TYR 99 HA TYR 99 0.038 6.998 -0.339 173 1HB TYR 99 1HB TYR 99 1.656 8.617 -0.683 174 2HB TYR 99 2HB TYR 99 0.349 9.297 -1.646 175 HD1 TYR 99 HD1 TYR 99 1.888 9.382 1.751 176 HD2 TYR 99 HD2 TYR 99 -0.541 11.434 -1.135 177 HE1 TYR 99 HE1 TYR 99 1.921 11.409 3.172 178 HE2 TYR 99 HE2 TYR 99 -0.510 13.466 0.288 179 HH TYR 99 HH TYR 99 1.241 13.506 3.399 180 H ILE 100 H ILE 100 0.414 6.282 1.653 181 HA ILE 100 HA ILE 100 -0.388 8.028 3.930 182 HB ILE 100 HB ILE 100 -0.405 5.473 4.955 183 1HG1 ILE 100 1HG1 ILE 100 -1.490 5.371 2.111 184 2HG1 ILE 100 2HG1 ILE 100 -0.179 4.392 2.775 185 1HG2 ILE 100 1HG2 ILE 100 -2.063 7.433 5.099 186 2HG2 ILE 100 2HG2 ILE 100 -2.821 6.740 3.666 187 3HG2 ILE 100 3HG2 ILE 100 -2.742 5.809 5.159 188 1HD1 ILE 100 1HD1 ILE 100 -2.937 4.372 3.987 189 2HD1 ILE 100 2HD1 ILE 100 -2.499 3.313 2.658 190 3HD1 ILE 100 3HD1 ILE 100 -1.642 3.194 4.190 191 H SER 101 H SER 101 0.826 7.163 6.022 192 HA SER 101 HA SER 101 3.677 7.381 5.418 193 1HB SER 101 1HB SER 101 2.166 7.018 8.018 194 2HB SER 101 2HB SER 101 3.906 7.275 7.912 195 HG SER 101 HG SER 101 3.501 9.317 7.691 196 H ALA 102 H ALA 102 5.224 5.816 6.576 197 HA ALA 102 HA ALA 102 4.814 3.161 5.615 198 1HB ALA 102 1HB ALA 102 6.986 4.462 6.518 199 2HB ALA 102 2HB ALA 102 6.579 3.579 7.988 200 3HB ALA 102 3HB ALA 102 6.901 2.701 6.492 201 H ALA 103 H ALA 103 4.504 4.534 8.895 202 HA ALA 103 HA ALA 103 3.754 2.240 10.289 203 1HB ALA 103 1HB ALA 103 3.703 5.002 10.783 204 2HB ALA 103 2HB ALA 103 2.041 4.463 11.031 205 3HB ALA 103 3HB ALA 103 3.355 3.721 11.945 206 H GLU 104 H GLU 104 1.919 4.066 7.931 207 HA GLU 104 HA GLU 104 -0.646 2.894 8.577 208 1HB GLU 104 1HB GLU 104 0.492 4.560 6.407 209 2HB GLU 104 2HB GLU 104 -0.868 3.534 5.935 210 1HG GLU 104 1HG GLU 104 -1.744 5.665 6.709 211 2HG GLU 104 2HG GLU 104 -2.139 4.434 7.909 212 H LEU 105 H LEU 105 1.822 2.172 6.095 213 HA LEU 105 HA LEU 105 0.473 -0.073 4.969 214 1HB LEU 105 1HB LEU 105 2.874 1.283 4.528 215 2HB LEU 105 2HB LEU 105 3.354 -0.365 4.945 216 HG LEU 105 HG LEU 105 1.059 -0.468 3.227 217 1HD1 LEU 105 1HD1 LEU 105 2.454 1.826 2.679 218 2HD1 LEU 105 2HD1 LEU 105 3.253 0.664 1.619 219 3HD1 LEU 105 3HD1 LEU 105 1.511 0.922 1.493 220 1HD2 LEU 105 1HD2 LEU 105 3.805 -1.530 3.445 221 2HD2 LEU 105 2HD2 LEU 105 2.321 -2.352 2.974 222 3HD2 LEU 105 3HD2 LEU 105 3.217 -1.406 1.787 223 H ARG 106 H ARG 106 3.118 -0.031 7.423 224 HA ARG 106 HA ARG 106 3.374 -2.744 7.874 225 1HB ARG 106 1HB ARG 106 3.669 -2.120 10.350 226 2HB ARG 106 2HB ARG 106 4.735 -1.328 9.194 227 1HG ARG 106 1HG ARG 106 4.055 0.526 10.312 228 2HG ARG 106 2HG ARG 106 2.702 0.432 9.186 229 1HD ARG 106 1HD ARG 106 1.236 -0.094 10.835 230 2HD ARG 106 2HD ARG 106 2.349 -1.250 11.564 231 HE ARG 106 HE ARG 106 2.704 1.684 12.008 232 1HH1 ARG 106 1HH1 ARG 106 0.993 -0.701 13.472 233 2HH1 ARG 106 2HH1 ARG 106 1.879 -0.717 14.961 234 1HH2 ARG 106 1HH2 ARG 106 4.434 1.304 13.770 235 2HH2 ARG 106 2HH2 ARG 106 3.826 0.418 15.130 236 H HIS 107 H HIS 107 0.777 -0.666 9.076 237 HA HIS 107 HA HIS 107 -0.523 -2.826 10.537 238 1HB HIS 107 1HB HIS 107 -0.797 -0.484 11.236 239 2HB HIS 107 2HB HIS 107 -1.568 -0.106 9.695 240 HD1 HIS 107 HD1 HIS 107 -2.440 -0.922 13.048 241 HD2 HIS 107 HD2 HIS 107 -3.953 -2.032 9.325 242 HE1 HIS 107 HE1 HIS 107 -4.788 -1.781 13.456 243 H VAL 108 H VAL 108 -0.910 -1.369 7.323 244 HA VAL 108 HA VAL 108 -3.359 -2.904 6.806 245 HB VAL 108 HB VAL 108 -1.750 -1.503 4.688 246 1HG1 VAL 108 1HG1 VAL 108 -4.506 -2.498 5.115 247 2HG1 VAL 108 2HG1 VAL 108 -4.387 -0.930 4.318 248 3HG1 VAL 108 3HG1 VAL 108 -3.586 -2.337 3.619 249 1HG2 VAL 108 1HG2 VAL 108 -2.723 -0.315 7.112 250 2HG2 VAL 108 2HG2 VAL 108 -1.980 0.484 5.726 251 3HG2 VAL 108 3HG2 VAL 108 -3.726 0.246 5.775 252 H MET 109 H MET 109 -0.227 -2.827 5.056 253 HA MET 109 HA MET 109 -0.592 -5.150 3.575 254 1HB MET 109 1HB MET 109 1.620 -3.493 4.265 255 2HB MET 109 2HB MET 109 2.109 -5.175 4.491 256 1HG MET 109 1HG MET 109 0.676 -5.283 2.133 257 2HG MET 109 2HG MET 109 1.500 -3.728 2.009 258 1HE MET 109 1HE MET 109 3.611 -3.629 3.402 259 2HE MET 109 2HE MET 109 4.792 -4.928 3.613 260 3HE MET 109 3HE MET 109 4.823 -3.933 2.160 261 H THR 110 H THR 110 -0.092 -4.787 6.965 262 HA THR 110 HA THR 110 0.597 -7.612 7.374 263 HB THR 110 HB THR 110 0.083 -5.316 9.283 264 HG1 THR 110 HG1 THR 110 2.027 -5.420 7.916 265 1HG2 THR 110 1HG2 THR 110 0.223 -8.182 9.718 266 2HG2 THR 110 2HG2 THR 110 1.492 -7.327 10.594 267 3HG2 THR 110 3HG2 THR 110 -0.200 -6.896 10.848 268 H ASN 111 H ASN 111 -1.926 -7.295 6.081 269 HA ASN 111 HA ASN 111 -3.540 -8.933 7.725 270 1HB ASN 111 1HB ASN 111 -5.326 -7.488 8.465 271 2HB ASN 111 2HB ASN 111 -3.802 -6.872 9.087 272 1HD2 ASN 111 1HD2 ASN 111 -4.650 -3.707 7.833 273 2HD2 ASN 111 2HD2 ASN 111 -4.130 -4.642 9.150 274 H LEU 112 H LEU 112 -3.717 -6.460 5.113 275 HA LEU 112 HA LEU 112 -6.073 -7.518 3.914 276 1HB LEU 112 1HB LEU 112 -4.694 -6.784 1.685 277 2HB LEU 112 2HB LEU 112 -5.571 -5.660 2.704 278 HG LEU 112 HG LEU 112 -3.590 -4.905 3.767 279 1HD1 LEU 112 1HD1 LEU 112 -2.696 -7.589 3.242 280 2HD1 LEU 112 2HD1 LEU 112 -1.505 -6.455 2.619 281 3HD1 LEU 112 3HD1 LEU 112 -1.989 -6.395 4.314 282 1HD2 LEU 112 1HD2 LEU 112 -3.572 -5.223 0.845 283 2HD2 LEU 112 2HD2 LEU 112 -3.289 -3.783 1.824 284 3HD2 LEU 112 3HD2 LEU 112 -1.978 -4.927 1.538 285 H GLY 113 H GLY 113 -5.372 -8.423 1.322 286 1HA GLY 113 1HA GLY 113 -5.172 -11.157 1.536 287 2HA GLY 113 2HA GLY 113 -4.476 -10.290 0.164 288 H GLU 114 H GLU 114 -2.585 -8.835 1.922 289 HA GLU 114 HA GLU 114 -0.502 -10.903 2.010 290 1HB GLU 114 1HB GLU 114 -0.399 -7.940 2.658 291 2HB GLU 114 2HB GLU 114 1.000 -9.008 2.579 292 1HG GLU 114 1HG GLU 114 0.845 -7.878 0.458 293 2HG GLU 114 2HG GLU 114 0.352 -9.552 0.202 294 H LYS 115 H LYS 115 0.917 -9.642 4.265 295 HA LYS 115 HA LYS 115 -0.093 -9.283 6.705 296 1HB LYS 115 1HB LYS 115 -0.526 -11.617 7.650 297 2HB LYS 115 2HB LYS 115 -1.780 -10.991 6.581 298 1HG LYS 115 1HG LYS 115 -1.465 -12.684 5.127 299 2HG LYS 115 2HG LYS 115 0.267 -12.356 5.050 300 1HD LYS 115 1HD LYS 115 0.775 -13.903 6.676 301 2HD LYS 115 2HD LYS 115 -0.755 -13.671 7.522 302 1HE LYS 115 1HE LYS 115 -1.929 -14.883 5.707 303 2HE LYS 115 2HE LYS 115 -0.384 -15.144 4.896 304 1HZ LYS 115 1HZ LYS 115 -1.023 -16.061 7.647 305 2HZ LYS 115 2HZ LYS 115 -1.087 -17.045 6.265 306 3HZ LYS 115 3HZ LYS 115 0.394 -16.394 6.772 307 H LEU 116 H LEU 116 2.098 -8.717 7.069 308 HA LEU 116 HA LEU 116 3.928 -11.048 7.412 309 1HB LEU 116 1HB LEU 116 5.773 -9.520 6.598 310 2HB LEU 116 2HB LEU 116 4.592 -9.956 5.360 311 HG LEU 116 HG LEU 116 4.274 -7.446 7.011 312 1HD1 LEU 116 1HD1 LEU 116 6.186 -8.012 4.829 313 2HD1 LEU 116 2HD1 LEU 116 5.209 -6.559 4.605 314 3HD1 LEU 116 3HD1 LEU 116 6.203 -6.740 6.048 315 1HD2 LEU 116 1HD2 LEU 116 2.810 -8.788 4.935 316 2HD2 LEU 116 2HD2 LEU 116 2.394 -7.298 5.781 317 3HD2 LEU 116 3HD2 LEU 116 3.377 -7.237 4.318 318 H THR 117 H THR 117 5.651 -8.282 7.992 319 HA THR 117 HA THR 117 4.676 -7.972 10.779 320 HB THR 117 HB THR 117 6.887 -8.276 11.696 321 HG1 THR 117 HG1 THR 117 7.686 -8.579 8.994 322 1HG2 THR 117 1HG2 THR 117 5.416 -10.307 10.626 323 2HG2 THR 117 2HG2 THR 117 6.970 -10.567 9.833 324 3HG2 THR 117 3HG2 THR 117 6.869 -10.549 11.594 325 H ASP 118 H ASP 118 5.775 -6.012 11.812 326 HA ASP 118 HA ASP 118 5.579 -3.771 10.019 327 1HB ASP 118 1HB ASP 118 5.115 -3.697 12.496 328 2HB ASP 118 2HB ASP 118 6.856 -3.800 12.766 329 H GLU 119 H GLU 119 8.096 -5.968 10.585 330 HA GLU 119 HA GLU 119 10.233 -4.019 9.957 331 1HB GLU 119 1HB GLU 119 10.321 -7.013 10.447 332 2HB GLU 119 2HB GLU 119 11.738 -5.996 10.179 333 1HG GLU 119 1HG GLU 119 10.565 -4.581 12.148 334 2HG GLU 119 2HG GLU 119 9.965 -6.188 12.561 335 H GLU 120 H GLU 120 8.700 -6.897 8.516 336 HA GLU 120 HA GLU 120 10.250 -6.808 6.086 337 1HB GLU 120 1HB GLU 120 7.494 -7.974 6.585 338 2HB GLU 120 2HB GLU 120 8.521 -8.325 5.195 339 1HG GLU 120 1HG GLU 120 10.026 -8.708 7.621 340 2HG GLU 120 2HG GLU 120 8.523 -9.630 7.707 341 H VAL 121 H VAL 121 7.275 -5.287 7.161 342 HA VAL 121 HA VAL 121 6.587 -4.280 4.511 343 HB VAL 121 HB VAL 121 4.774 -4.661 6.047 344 1HG1 VAL 121 1HG1 VAL 121 6.530 -3.895 8.023 345 2HG1 VAL 121 2HG1 VAL 121 5.417 -2.533 7.951 346 3HG1 VAL 121 3HG1 VAL 121 4.806 -4.160 8.243 347 1HG2 VAL 121 1HG2 VAL 121 5.241 -2.209 4.761 348 2HG2 VAL 121 2HG2 VAL 121 3.684 -2.838 5.296 349 3HG2 VAL 121 3HG2 VAL 121 4.618 -1.783 6.355 350 H ASP 122 H ASP 122 7.887 -2.795 7.498 351 HA ASP 122 HA ASP 122 8.149 -0.175 6.377 352 1HB ASP 122 1HB ASP 122 8.409 -1.099 8.870 353 2HB ASP 122 2HB ASP 122 10.115 -1.114 8.423 354 H GLU 123 H GLU 123 10.213 -3.023 6.284 355 HA GLU 123 HA GLU 123 12.411 -1.517 5.021 356 1HB GLU 123 1HB GLU 123 12.497 -3.666 6.613 357 2HB GLU 123 2HB GLU 123 12.366 -4.504 5.066 358 1HG GLU 123 1HG GLU 123 14.265 -2.935 4.277 359 2HG GLU 123 2HG GLU 123 14.521 -2.605 5.990 360 H MET 124 H MET 124 9.535 -3.041 4.054 361 HA MET 124 HA MET 124 10.574 -3.660 1.343 362 1HB MET 124 1HB MET 124 9.110 -5.333 2.395 363 2HB MET 124 2HB MET 124 7.844 -4.119 2.584 364 1HG MET 124 1HG MET 124 7.346 -5.406 0.597 365 2HG MET 124 2HG MET 124 7.874 -3.802 0.090 366 1HE MET 124 1HE MET 124 9.010 -7.230 1.135 367 2HE MET 124 2HE MET 124 10.493 -7.562 0.242 368 3HE MET 124 3HE MET 124 10.512 -6.400 1.565 369 H ILE 125 H ILE 125 8.901 -1.191 3.065 370 HA ILE 125 HA ILE 125 7.334 -0.129 0.908 371 HB ILE 125 HB ILE 125 8.005 0.610 3.625 372 1HG1 ILE 125 1HG1 ILE 125 5.859 2.125 2.463 373 2HG1 ILE 125 2HG1 ILE 125 5.804 0.472 1.848 374 1HG2 ILE 125 1HG2 ILE 125 7.994 2.882 1.610 375 2HG2 ILE 125 2HG2 ILE 125 7.851 3.079 3.357 376 3HG2 ILE 125 3HG2 ILE 125 9.337 2.432 2.660 377 1HD1 ILE 125 1HD1 ILE 125 6.352 0.040 4.494 378 2HD1 ILE 125 2HD1 ILE 125 5.334 1.479 4.583 379 3HD1 ILE 125 3HD1 ILE 125 4.734 0.021 3.797 380 H ARG 126 H ARG 126 10.726 0.178 1.790 381 HA ARG 126 HA ARG 126 11.510 2.437 0.354 382 1HB ARG 126 1HB ARG 126 12.996 -0.199 0.226 383 2HB ARG 126 2HB ARG 126 13.679 1.426 0.153 384 1HG ARG 126 1HG ARG 126 12.491 1.671 2.513 385 2HG ARG 126 2HG ARG 126 12.634 -0.088 2.517 386 1HD ARG 126 1HD ARG 126 14.943 1.807 2.000 387 2HD ARG 126 2HD ARG 126 14.600 1.064 3.563 388 HE ARG 126 HE ARG 126 14.835 -0.880 1.399 389 1HH1 ARG 126 1HH1 ARG 126 15.784 -0.388 4.474 390 2HH1 ARG 126 2HH1 ARG 126 17.452 -0.806 4.265 391 1HH2 ARG 126 1HH2 ARG 126 17.291 -0.814 0.802 392 2HH2 ARG 126 2HH2 ARG 126 18.304 -1.048 2.186 393 H GLU 127 H GLU 127 10.285 -0.598 -0.815 394 HA GLU 127 HA GLU 127 11.145 -0.240 -3.571 395 1HB GLU 127 1HB GLU 127 10.618 -2.468 -2.560 396 2HB GLU 127 2HB GLU 127 8.924 -1.984 -2.462 397 1HG GLU 127 1HG GLU 127 9.050 -3.180 -4.496 398 2HG GLU 127 2HG GLU 127 9.128 -1.490 -4.996 399 H ALA 128 H ALA 128 8.076 0.263 -1.789 400 HA ALA 128 HA ALA 128 6.828 1.401 -4.202 401 1HB ALA 128 1HB ALA 128 5.930 0.805 -1.399 402 2HB ALA 128 2HB ALA 128 4.995 1.931 -2.382 403 3HB ALA 128 3HB ALA 128 5.233 0.271 -2.928 404 H ASP 129 H ASP 129 6.559 2.826 -0.983 405 HA ASP 129 HA ASP 129 6.729 5.504 -1.969 406 1HB ASP 129 1HB ASP 129 5.654 5.050 0.159 407 2HB ASP 129 2HB ASP 129 7.146 4.376 0.816 408 H ILE 130 H ILE 130 8.497 6.803 -2.344 409 HA ILE 130 HA ILE 130 11.097 6.161 -1.131 410 HB ILE 130 HB ILE 130 12.187 6.145 -3.452 411 1HG1 ILE 130 1HG1 ILE 130 9.977 4.936 -4.795 412 2HG1 ILE 130 2HG1 ILE 130 9.435 6.495 -4.176 413 1HG2 ILE 130 1HG2 ILE 130 11.943 4.138 -2.006 414 2HG2 ILE 130 2HG2 ILE 130 10.357 3.839 -2.717 415 3HG2 ILE 130 3HG2 ILE 130 11.805 3.737 -3.718 416 1HD1 ILE 130 1HD1 ILE 130 11.992 7.009 -5.173 417 2HD1 ILE 130 2HD1 ILE 130 11.274 5.921 -6.361 418 3HD1 ILE 130 3HD1 ILE 130 10.467 7.433 -5.950 419 H ASP 131 H ASP 131 9.221 8.174 -3.375 420 HA ASP 131 HA ASP 131 9.809 10.643 -2.284 421 1HB ASP 131 1HB ASP 131 11.696 11.387 -3.920 422 2HB ASP 131 2HB ASP 131 12.142 10.468 -2.482 423 H GLY 132 H GLY 132 9.158 8.733 -5.093 424 1HA GLY 132 1HA GLY 132 8.778 10.419 -7.203 425 2HA GLY 132 2HA GLY 132 7.575 9.198 -6.793 426 H ASP 133 H ASP 133 6.177 9.996 -4.759 427 HA ASP 133 HA ASP 133 5.655 12.902 -4.886 428 1HB ASP 133 1HB ASP 133 3.848 10.794 -5.995 429 2HB ASP 133 2HB ASP 133 3.108 12.152 -5.147 430 H GLY 134 H GLY 134 3.196 10.651 -3.836 431 1HA GLY 134 1HA GLY 134 3.492 11.651 -1.086 432 2HA GLY 134 2HA GLY 134 2.200 10.601 -1.674 433 H GLN 135 H GLN 135 3.591 10.089 0.750 434 HA GLN 135 HA GLN 135 5.787 8.391 0.709 435 1HB GLN 135 1HB GLN 135 3.257 8.276 2.354 436 2HB GLN 135 2HB GLN 135 4.594 7.158 2.627 437 1HG GLN 135 1HG GLN 135 4.691 10.183 2.787 438 2HG GLN 135 2HG GLN 135 4.870 9.047 4.124 439 1HE2 GLN 135 1HE2 GLN 135 8.041 9.840 1.700 440 2HE2 GLN 135 2HE2 GLN 135 6.514 10.501 1.372 441 H VAL 136 H VAL 136 2.863 6.554 1.336 442 HA VAL 136 HA VAL 136 3.521 4.888 -1.066 443 HB VAL 136 HB VAL 136 2.057 3.486 1.035 444 1HG1 VAL 136 1HG1 VAL 136 3.910 3.022 -1.075 445 2HG1 VAL 136 2HG1 VAL 136 4.627 2.392 0.411 446 3HG1 VAL 136 3HG1 VAL 136 3.039 1.828 -0.113 447 1HG2 VAL 136 1HG2 VAL 136 4.601 4.919 1.694 448 2HG2 VAL 136 2HG2 VAL 136 3.246 4.503 2.743 449 3HG2 VAL 136 3HG2 VAL 136 4.415 3.268 2.282 450 H ASN 137 H ASN 137 1.961 5.714 -2.449 451 HA ASN 137 HA ASN 137 -0.811 5.988 -1.514 452 1HB ASN 137 1HB ASN 137 -1.286 6.820 -3.735 453 2HB ASN 137 2HB ASN 137 0.175 7.601 -3.131 454 1HD2 ASN 137 1HD2 ASN 137 2.336 5.935 -5.465 455 2HD2 ASN 137 2HD2 ASN 137 2.293 6.726 -3.964 456 H TYR 138 H TYR 138 -2.405 5.081 -3.397 457 HA TYR 138 HA TYR 138 -2.363 2.229 -3.028 458 1HB TYR 138 1HB TYR 138 -3.939 3.937 -4.972 459 2HB TYR 138 2HB TYR 138 -4.277 2.249 -4.596 460 HD1 TYR 138 HD1 TYR 138 -3.020 3.533 -1.636 461 HD2 TYR 138 HD2 TYR 138 -6.507 3.768 -4.123 462 HE1 TYR 138 HE1 TYR 138 -4.351 4.232 0.320 463 HE2 TYR 138 HE2 TYR 138 -7.852 4.478 -2.167 464 HH TYR 138 HH TYR 138 -7.553 5.483 -0.006 465 H GLU 139 H GLU 139 -1.685 4.324 -5.800 466 HA GLU 139 HA GLU 139 -1.178 2.267 -7.654 467 1HB GLU 139 1HB GLU 139 0.498 4.761 -7.698 468 2HB GLU 139 2HB GLU 139 -0.258 3.908 -9.044 469 1HG GLU 139 1HG GLU 139 -2.491 4.589 -7.778 470 2HG GLU 139 2HG GLU 139 -1.459 5.860 -7.120 471 H GLU 140 H GLU 140 0.795 3.610 -5.087 472 HA GLU 140 HA GLU 140 3.103 1.924 -5.916 473 1HB GLU 140 1HB GLU 140 2.768 4.267 -4.062 474 2HB GLU 140 2HB GLU 140 4.154 3.192 -3.879 475 1HG GLU 140 1HG GLU 140 3.429 4.365 -6.562 476 2HG GLU 140 2HG GLU 140 4.443 5.247 -5.419 477 H PHE 141 H PHE 141 0.401 1.762 -3.946 478 HA PHE 141 HA PHE 141 1.645 0.234 -1.764 479 1HB PHE 141 1HB PHE 141 -0.307 1.734 -1.351 480 2HB PHE 141 2HB PHE 141 -1.288 0.709 -2.397 481 HD1 PHE 141 HD1 PHE 141 1.357 -0.480 -0.084 482 HD2 PHE 141 HD2 PHE 141 -2.867 -0.101 -0.772 483 HE1 PHE 141 HE1 PHE 141 0.904 -1.978 1.825 484 HE2 PHE 141 HE2 PHE 141 -3.309 -1.611 1.153 485 HZ PHE 141 HZ PHE 141 -1.420 -2.542 2.451 486 H VAL 142 H VAL 142 -0.276 -0.348 -4.663 487 HA VAL 142 HA VAL 142 -0.837 -3.106 -4.194 488 HB VAL 142 HB VAL 142 -2.072 -2.046 -5.927 489 1HG1 VAL 142 1HG1 VAL 142 0.638 -1.083 -6.804 490 2HG1 VAL 142 2HG1 VAL 142 -0.683 -1.160 -7.969 491 3HG1 VAL 142 3HG1 VAL 142 -0.837 -0.154 -6.528 492 1HG2 VAL 142 1HG2 VAL 142 0.072 -3.741 -7.252 493 2HG2 VAL 142 2HG2 VAL 142 -1.403 -4.350 -6.502 494 3HG2 VAL 142 3HG2 VAL 142 -1.499 -3.352 -7.953 495 H GLN 143 H GLN 143 2.045 -1.415 -5.055 496 HA GLN 143 HA GLN 143 3.431 -3.528 -6.418 497 1HB GLN 143 1HB GLN 143 4.266 -1.244 -6.522 498 2HB GLN 143 2HB GLN 143 4.475 -1.206 -4.770 499 1HG GLN 143 1HG GLN 143 6.471 -2.247 -4.900 500 2HG GLN 143 2HG GLN 143 5.820 -3.499 -5.958 501 1HE2 GLN 143 1HE2 GLN 143 7.259 -0.086 -7.768 502 2HE2 GLN 143 2HE2 GLN 143 6.510 0.043 -6.250 503 H MET 144 H MET 144 2.816 -2.861 -3.032 504 HA MET 144 HA MET 144 4.837 -4.743 -2.075 505 1HB MET 144 1HB MET 144 2.449 -3.823 -0.477 506 2HB MET 144 2HB MET 144 4.062 -4.244 0.099 507 1HG MET 144 1HG MET 144 3.990 -2.021 -1.840 508 2HG MET 144 2HG MET 144 3.199 -1.684 -0.301 509 1HE MET 144 1HE MET 144 5.899 -2.150 -2.390 510 2HE MET 144 2HE MET 144 7.268 -1.425 -1.552 511 3HE MET 144 3HE MET 144 7.057 -3.173 -1.529 512 H MET 145 H MET 145 1.276 -4.725 -2.193 513 HA MET 145 HA MET 145 1.000 -7.452 -1.362 514 1HB MET 145 1HB MET 145 -1.320 -7.180 -2.526 515 2HB MET 145 2HB MET 145 -0.964 -6.202 -1.104 516 1HG MET 145 1HG MET 145 -0.003 -4.828 -3.442 517 2HG MET 145 2HG MET 145 -1.677 -5.301 -3.699 518 1HE MET 145 1HE MET 145 0.261 -4.904 -0.642 519 2HE MET 145 2HE MET 145 0.535 -3.160 -0.705 520 3HE MET 145 3HE MET 145 -0.665 -3.829 0.396 521 H THR 146 H THR 146 2.221 -6.223 -4.253 522 HA THR 146 HA THR 146 2.193 -8.884 -5.450 523 HB THR 146 HB THR 146 -0.060 -8.000 -6.077 524 HG1 THR 146 HG1 THR 146 0.678 -9.380 -7.550 525 1HG2 THR 146 1HG2 THR 146 1.640 -5.734 -6.953 526 2HG2 THR 146 2HG2 THR 146 0.332 -6.186 -8.046 527 3HG2 THR 146 3HG2 THR 146 -0.028 -5.737 -6.380 528 H ALA 147 H ALA 147 4.271 -7.078 -4.662 529 HA ALA 147 HA ALA 147 5.345 -5.477 -6.720 530 1HB ALA 147 1HB ALA 147 6.338 -6.778 -4.303 531 2HB ALA 147 2HB ALA 147 7.563 -6.717 -5.571 532 3HB ALA 147 3HB ALA 147 6.800 -5.230 -5.009 533 H LYS 148 H LYS 148 5.737 -6.075 -8.793 534 HA LYS 148 HA LYS 148 6.432 -8.914 -9.351 535 1HB LYS 148 1HB LYS 148 5.916 -8.347 -11.703 536 2HB LYS 148 2HB LYS 148 4.563 -7.955 -10.641 537 1HG LYS 148 1HG LYS 148 6.242 -5.673 -10.676 538 2HG LYS 148 2HG LYS 148 6.068 -6.195 -12.352 539 1HD LYS 148 1HD LYS 148 3.903 -5.554 -12.427 540 2HD LYS 148 2HD LYS 148 3.545 -6.331 -10.885 541 1HE LYS 148 1HE LYS 148 5.002 -4.260 -9.979 542 2HE LYS 148 2HE LYS 148 4.359 -3.523 -11.447 543 1HZ LYS 148 1HZ LYS 148 2.135 -4.463 -10.636 544 2HZ LYS 148 2HZ LYS 148 2.893 -4.602 -9.125 545 3HZ LYS 148 3HZ LYS 148 2.749 -3.079 -9.866 No H/Q in entry = 545 Start of MODEL 2 Raw file had 555 H/Q atoms Start of MODEL 2 1 1H MET 76 1H MET 76 -9.509 -4.127 -22.282 2 2H MET 76 2H MET 76 -8.145 -4.628 -23.161 3 3H MET 76 3H MET 76 -9.421 -5.711 -22.891 4 HA MET 76 HA MET 76 -8.815 -6.163 -20.772 5 1HB MET 76 1HB MET 76 -6.215 -5.096 -21.916 6 2HB MET 76 2HB MET 76 -6.375 -6.281 -20.618 7 1HG MET 76 1HG MET 76 -6.423 -7.907 -22.172 8 2HG MET 76 2HG MET 76 -7.949 -7.245 -22.760 9 1HE MET 76 1HE MET 76 -4.797 -8.470 -23.655 10 2HE MET 76 2HE MET 76 -3.967 -7.375 -24.758 11 3HE MET 76 3HE MET 76 -4.013 -7.024 -23.025 12 H LYS 77 H LYS 77 -8.258 -5.391 -18.666 13 HA LYS 77 HA LYS 77 -8.642 -2.506 -18.334 14 1HB LYS 77 1HB LYS 77 -8.072 -4.629 -16.244 15 2HB LYS 77 2HB LYS 77 -8.681 -3.002 -15.943 16 1HG LYS 77 1HG LYS 77 -10.754 -3.472 -17.039 17 2HG LYS 77 2HG LYS 77 -10.134 -4.982 -17.708 18 1HD LYS 77 1HD LYS 77 -9.755 -5.621 -15.189 19 2HD LYS 77 2HD LYS 77 -10.952 -4.363 -14.885 20 1HE LYS 77 1HE LYS 77 -11.280 -6.893 -16.503 21 2HE LYS 77 2HE LYS 77 -12.215 -6.364 -15.103 22 1HZ LYS 77 1HZ LYS 77 -12.703 -4.338 -16.662 23 2HZ LYS 77 2HZ LYS 77 -12.356 -5.460 -17.886 24 3HZ LYS 77 3HZ LYS 77 -13.611 -5.769 -16.783 25 H ASP 78 H ASP 78 -7.037 -1.984 -16.096 26 HA ASP 78 HA ASP 78 -4.254 -2.635 -16.738 27 1HB ASP 78 1HB ASP 78 -5.503 -0.038 -17.501 28 2HB ASP 78 2HB ASP 78 -3.892 0.028 -16.785 29 H THR 79 H THR 79 -6.322 -0.287 -14.998 30 HA THR 79 HA THR 79 -4.552 -0.674 -12.619 31 HB THR 79 HB THR 79 -6.463 1.599 -13.249 32 HG1 THR 79 HG1 THR 79 -4.641 2.726 -13.738 33 1HG2 THR 79 1HG2 THR 79 -5.323 0.711 -10.797 34 2HG2 THR 79 2HG2 THR 79 -4.487 2.193 -11.261 35 3HG2 THR 79 3HG2 THR 79 -6.243 2.186 -11.093 36 H ASP 80 H ASP 80 -6.727 -2.484 -13.449 37 HA ASP 80 HA ASP 80 -8.858 -1.953 -11.463 38 1HB ASP 80 1HB ASP 80 -9.234 -2.892 -13.847 39 2HB ASP 80 2HB ASP 80 -8.623 -4.413 -13.196 40 H SER 81 H SER 81 -6.059 -2.589 -10.650 41 HA SER 81 HA SER 81 -6.502 -5.227 -9.323 42 1HB SER 81 1HB SER 81 -3.905 -3.686 -9.477 43 2HB SER 81 2HB SER 81 -4.128 -5.383 -9.063 44 HG SER 81 HG SER 81 -3.515 -4.625 -11.356 45 H GLU 82 H GLU 82 -6.035 -1.808 -8.752 46 HA GLU 82 HA GLU 82 -5.495 -2.100 -5.905 47 1HB GLU 82 1HB GLU 82 -6.545 0.377 -7.286 48 2HB GLU 82 2HB GLU 82 -5.583 0.282 -5.809 49 1HG GLU 82 1HG GLU 82 -3.624 0.043 -6.947 50 2HG GLU 82 2HG GLU 82 -4.352 -0.983 -8.183 51 H GLU 83 H GLU 83 -8.232 -2.663 -7.698 52 HA GLU 83 HA GLU 83 -10.357 -1.420 -6.375 53 1HB GLU 83 1HB GLU 83 -9.996 -4.093 -7.665 54 2HB GLU 83 2HB GLU 83 -11.445 -3.842 -6.690 55 1HG GLU 83 1HG GLU 83 -11.379 -1.521 -8.131 56 2HG GLU 83 2HG GLU 83 -10.701 -2.661 -9.294 57 H GLU 84 H GLU 84 -8.267 -4.015 -5.245 58 HA GLU 84 HA GLU 84 -9.855 -4.217 -2.736 59 1HB GLU 84 1HB GLU 84 -8.880 -6.229 -4.179 60 2HB GLU 84 2HB GLU 84 -7.424 -5.887 -3.243 61 1HG GLU 84 1HG GLU 84 -9.915 -5.952 -1.660 62 2HG GLU 84 2HG GLU 84 -9.457 -7.497 -2.375 63 H ILE 85 H ILE 85 -6.544 -3.568 -3.893 64 HA ILE 85 HA ILE 85 -5.196 -3.170 -1.487 65 HB ILE 85 HB ILE 85 -5.052 -1.594 -4.071 66 1HG1 ILE 85 1HG1 ILE 85 -2.780 -3.229 -3.192 67 2HG1 ILE 85 2HG1 ILE 85 -4.256 -4.169 -3.412 68 1HG2 ILE 85 1HG2 ILE 85 -3.928 -0.968 -1.483 69 2HG2 ILE 85 2HG2 ILE 85 -2.637 -1.357 -2.619 70 3HG2 ILE 85 3HG2 ILE 85 -3.785 -0.072 -2.996 71 1HD1 ILE 85 1HD1 ILE 85 -3.581 -2.172 -5.520 72 2HD1 ILE 85 2HD1 ILE 85 -2.606 -3.640 -5.451 73 3HD1 ILE 85 3HD1 ILE 85 -4.351 -3.752 -5.674 74 H ARG 86 H ARG 86 -6.915 -0.565 -3.271 75 HA ARG 86 HA ARG 86 -6.721 1.441 -1.366 76 1HB ARG 86 1HB ARG 86 -8.199 2.544 -2.683 77 2HB ARG 86 2HB ARG 86 -8.142 1.117 -3.712 78 1HG ARG 86 1HG ARG 86 -10.451 1.486 -3.340 79 2HG ARG 86 2HG ARG 86 -10.035 0.191 -2.218 80 1HD ARG 86 1HD ARG 86 -10.712 1.465 -0.491 81 2HD ARG 86 2HD ARG 86 -9.510 2.684 -0.917 82 HE ARG 86 HE ARG 86 -11.250 3.968 -1.856 83 1HH1 ARG 86 1HH1 ARG 86 -12.608 1.295 -0.405 84 2HH1 ARG 86 2HH1 ARG 86 -14.045 1.264 -1.370 85 1HH2 ARG 86 1HH2 ARG 86 -12.916 3.669 -3.600 86 2HH2 ARG 86 2HH2 ARG 86 -14.219 2.608 -3.180 87 H GLU 87 H GLU 87 -8.979 -1.310 -1.348 88 HA GLU 87 HA GLU 87 -10.541 -0.486 0.882 89 1HB GLU 87 1HB GLU 87 -11.029 -2.461 -0.613 90 2HB GLU 87 2HB GLU 87 -9.731 -3.332 0.204 91 1HG GLU 87 1HG GLU 87 -10.880 -3.030 2.362 92 2HG GLU 87 2HG GLU 87 -12.180 -2.160 1.549 93 H ALA 88 H ALA 88 -7.725 -2.710 0.840 94 HA ALA 88 HA ALA 88 -7.406 -2.395 3.753 95 1HB ALA 88 1HB ALA 88 -6.935 -4.546 2.373 96 2HB ALA 88 2HB ALA 88 -5.442 -3.740 1.891 97 3HB ALA 88 3HB ALA 88 -5.748 -4.085 3.593 98 H PHE 89 H PHE 89 -7.178 0.004 3.304 99 HA PHE 89 HA PHE 89 -4.642 1.022 3.802 100 1HB PHE 89 1HB PHE 89 -4.628 0.078 1.181 101 2HB PHE 89 2HB PHE 89 -4.992 1.787 0.984 102 HD1 PHE 89 HD1 PHE 89 -2.921 0.157 3.643 103 HD2 PHE 89 HD2 PHE 89 -2.966 2.702 0.189 104 HE1 PHE 89 HE1 PHE 89 -0.550 0.745 4.042 105 HE2 PHE 89 HE2 PHE 89 -0.591 3.276 0.578 106 HZ PHE 89 HZ PHE 89 0.620 2.295 2.504 107 H ARG 90 H ARG 90 -7.832 1.351 2.498 108 HA ARG 90 HA ARG 90 -7.900 4.205 2.298 109 1HB ARG 90 1HB ARG 90 -10.280 3.941 2.053 110 2HB ARG 90 2HB ARG 90 -9.532 2.585 1.211 111 1HG ARG 90 1HG ARG 90 -9.852 1.182 3.236 112 2HG ARG 90 2HG ARG 90 -10.679 2.532 4.016 113 1HD ARG 90 1HD ARG 90 -11.601 0.775 1.782 114 2HD ARG 90 2HD ARG 90 -12.511 1.430 3.143 115 HE ARG 90 HE ARG 90 -11.834 2.934 0.658 116 1HH1 ARG 90 1HH1 ARG 90 -12.066 5.055 2.443 117 2HH1 ARG 90 2HH1 ARG 90 -13.763 5.292 2.702 118 1HH2 ARG 90 1HH2 ARG 90 -14.652 2.159 1.509 119 2HH2 ARG 90 2HH2 ARG 90 -15.226 3.653 2.174 120 H VAL 91 H VAL 91 -8.087 1.913 4.829 121 HA VAL 91 HA VAL 91 -9.590 3.145 6.799 122 HB VAL 91 HB VAL 91 -6.922 1.740 7.076 123 1HG1 VAL 91 1HG1 VAL 91 -8.890 2.783 9.079 124 2HG1 VAL 91 2HG1 VAL 91 -8.052 1.270 9.423 125 3HG1 VAL 91 3HG1 VAL 91 -7.129 2.749 9.154 126 1HG2 VAL 91 1HG2 VAL 91 -9.178 0.699 6.074 127 2HG2 VAL 91 2HG2 VAL 91 -8.107 -0.238 7.119 128 3HG2 VAL 91 3HG2 VAL 91 -9.552 0.521 7.789 129 H PHE 92 H PHE 92 -6.571 4.161 5.428 130 HA PHE 92 HA PHE 92 -6.330 6.310 7.481 131 1HB PHE 92 1HB PHE 92 -4.313 5.240 5.483 132 2HB PHE 92 2HB PHE 92 -4.009 6.528 6.651 133 HD1 PHE 92 HD1 PHE 92 -3.896 6.064 9.047 134 HD2 PHE 92 HD2 PHE 92 -4.586 2.922 6.204 135 HE1 PHE 92 HE1 PHE 92 -3.384 4.374 10.793 136 HE2 PHE 92 HE2 PHE 92 -4.076 1.231 7.947 137 HZ PHE 92 HZ PHE 92 -3.475 1.957 10.240 138 H ASP 93 H ASP 93 -5.748 5.882 3.960 139 HA ASP 93 HA ASP 93 -6.492 8.728 3.573 140 1HB ASP 93 1HB ASP 93 -5.296 6.699 1.659 141 2HB ASP 93 2HB ASP 93 -5.605 8.394 1.280 142 H LYS 94 H LYS 94 -8.689 7.305 4.281 143 HA LYS 94 HA LYS 94 -10.196 5.850 2.480 144 1HB LYS 94 1HB LYS 94 -11.229 8.223 4.068 145 2HB LYS 94 2HB LYS 94 -12.206 6.901 3.430 146 1HG LYS 94 1HG LYS 94 -10.994 5.297 4.837 147 2HG LYS 94 2HG LYS 94 -9.961 6.590 5.447 148 1HD LYS 94 1HD LYS 94 -12.962 6.753 5.696 149 2HD LYS 94 2HD LYS 94 -11.994 5.893 6.894 150 1HE LYS 94 1HE LYS 94 -10.915 7.829 7.612 151 2HE LYS 94 2HE LYS 94 -11.198 8.673 6.089 152 1HZ LYS 94 1HZ LYS 94 -13.698 8.223 6.920 153 2HZ LYS 94 2HZ LYS 94 -12.910 8.420 8.409 154 3HZ LYS 94 3HZ LYS 94 -12.834 9.651 7.240 155 H ASP 95 H ASP 95 -9.856 9.394 2.502 156 HA ASP 95 HA ASP 95 -10.195 9.443 -0.422 157 1HB ASP 95 1HB ASP 95 -12.518 9.606 0.701 158 2HB ASP 95 2HB ASP 95 -11.992 11.193 1.264 159 H GLY 96 H GLY 96 -8.262 10.123 1.843 160 1HA GLY 96 1HA GLY 96 -8.004 13.029 1.729 161 2HA GLY 96 2HA GLY 96 -6.875 11.917 2.502 162 H ASN 97 H ASN 97 -5.823 10.363 0.664 163 HA ASN 97 HA ASN 97 -5.313 11.807 -1.845 164 1HB ASN 97 1HB ASN 97 -3.205 11.571 0.313 165 2HB ASN 97 2HB ASN 97 -2.811 11.873 -1.379 166 1HD2 ASN 97 1HD2 ASN 97 -3.724 15.279 -1.247 167 2HD2 ASN 97 2HD2 ASN 97 -3.109 14.003 -2.183 168 H GLY 98 H GLY 98 -4.219 9.188 0.318 169 1HA GLY 98 1HA GLY 98 -4.525 6.877 -0.676 170 2HA GLY 98 2HA GLY 98 -3.741 7.532 -2.118 171 H TYR 99 H TYR 99 -1.737 9.089 -0.921 172 HA TYR 99 HA TYR 99 0.174 7.012 -0.176 173 1HB TYR 99 1HB TYR 99 1.805 8.603 -0.568 174 2HB TYR 99 2HB TYR 99 0.500 9.292 -1.526 175 HD1 TYR 99 HD1 TYR 99 2.126 9.412 1.826 176 HD2 TYR 99 HD2 TYR 99 -0.407 11.426 -0.999 177 HE1 TYR 99 HE1 TYR 99 2.195 11.456 3.223 178 HE2 TYR 99 HE2 TYR 99 -0.338 13.473 0.399 179 HH TYR 99 HH TYR 99 0.564 13.533 3.525 180 H ILE 100 H ILE 100 0.437 6.306 1.859 181 HA ILE 100 HA ILE 100 -0.453 8.119 4.048 182 HB ILE 100 HB ILE 100 -0.188 5.545 5.117 183 1HG1 ILE 100 1HG1 ILE 100 -1.493 5.457 2.371 184 2HG1 ILE 100 2HG1 ILE 100 -0.098 4.517 2.904 185 1HG2 ILE 100 1HG2 ILE 100 -1.944 7.525 5.262 186 2HG2 ILE 100 2HG2 ILE 100 -2.811 6.543 4.081 187 3HG2 ILE 100 3HG2 ILE 100 -2.413 5.873 5.662 188 1HD1 ILE 100 1HD1 ILE 100 -2.655 4.339 4.456 189 2HD1 ILE 100 2HD1 ILE 100 -2.491 3.446 2.951 190 3HD1 ILE 100 3HD1 ILE 100 -1.371 3.148 4.277 191 H SER 101 H SER 101 1.544 5.237 4.512 192 HA SER 101 HA SER 101 4.084 6.526 4.563 193 1HB SER 101 1HB SER 101 2.374 7.138 6.798 194 2HB SER 101 2HB SER 101 3.768 6.217 7.356 195 HG SER 101 HG SER 101 3.651 8.770 6.644 196 H ALA 102 H ALA 102 5.710 5.186 5.848 197 HA ALA 102 HA ALA 102 5.371 2.411 5.253 198 1HB ALA 102 1HB ALA 102 7.531 3.899 5.781 199 2HB ALA 102 2HB ALA 102 7.283 3.234 7.395 200 3HB ALA 102 3HB ALA 102 7.532 2.153 6.024 201 H ALA 103 H ALA 103 4.557 4.340 8.042 202 HA ALA 103 HA ALA 103 4.256 2.088 9.863 203 1HB ALA 103 1HB ALA 103 4.462 4.743 10.282 204 2HB ALA 103 2HB ALA 103 2.704 4.594 10.302 205 3HB ALA 103 3HB ALA 103 3.681 3.665 11.439 206 H GLU 104 H GLU 104 2.092 4.025 7.820 207 HA GLU 104 HA GLU 104 -0.365 2.827 8.601 208 1HB GLU 104 1HB GLU 104 0.625 4.197 6.114 209 2HB GLU 104 2HB GLU 104 -0.953 3.403 6.095 210 1HG GLU 104 1HG GLU 104 -0.929 5.884 6.780 211 2HG GLU 104 2HG GLU 104 -1.785 4.782 7.855 212 H LEU 105 H LEU 105 1.921 1.958 6.018 213 HA LEU 105 HA LEU 105 0.479 -0.366 5.124 214 1HB LEU 105 1HB LEU 105 2.814 1.019 4.397 215 2HB LEU 105 2HB LEU 105 3.356 -0.600 4.847 216 HG LEU 105 HG LEU 105 0.912 -0.749 3.311 217 1HD1 LEU 105 1HD1 LEU 105 2.556 1.385 2.522 218 2HD1 LEU 105 2HD1 LEU 105 2.944 0.075 1.408 219 3HD1 LEU 105 3HD1 LEU 105 1.276 0.632 1.570 220 1HD2 LEU 105 1HD2 LEU 105 3.510 -2.011 3.597 221 2HD2 LEU 105 2HD2 LEU 105 2.025 -2.685 2.936 222 3HD2 LEU 105 3HD2 LEU 105 3.126 -1.795 1.889 223 H ARG 106 H ARG 106 2.968 0.190 7.586 224 HA ARG 106 HA ARG 106 3.541 -2.506 8.235 225 1HB ARG 106 1HB ARG 106 4.927 -0.884 9.248 226 2HB ARG 106 2HB ARG 106 3.553 0.055 9.830 227 1HG ARG 106 1HG ARG 106 3.896 -2.762 10.804 228 2HG ARG 106 2HG ARG 106 4.910 -1.490 11.487 229 1HD ARG 106 1HD ARG 106 2.379 -0.350 11.474 230 2HD ARG 106 2HD ARG 106 2.070 -2.027 11.925 231 HE ARG 106 HE ARG 106 3.545 -0.055 13.521 232 1HH1 ARG 106 1HH1 ARG 106 5.441 -1.571 14.395 233 2HH1 ARG 106 2HH1 ARG 106 4.799 -2.915 15.279 234 1HH2 ARG 106 1HH2 ARG 106 1.596 -2.571 14.001 235 2HH2 ARG 106 2HH2 ARG 106 2.624 -3.480 15.057 236 H HIS 107 H HIS 107 0.654 -0.696 8.636 237 HA HIS 107 HA HIS 107 -0.382 -2.740 10.552 238 1HB HIS 107 1HB HIS 107 -0.396 -0.295 11.258 239 2HB HIS 107 2HB HIS 107 -1.595 -0.026 9.992 240 HD1 HIS 107 HD1 HIS 107 -1.206 -1.308 13.426 241 HD2 HIS 107 HD2 HIS 107 -4.070 -1.549 10.405 242 HE1 HIS 107 HE1 HIS 107 -3.331 -2.153 14.518 243 H VAL 108 H VAL 108 -0.656 -1.537 7.325 244 HA VAL 108 HA VAL 108 -3.362 -2.738 7.054 245 HB VAL 108 HB VAL 108 -1.903 -1.410 4.790 246 1HG1 VAL 108 1HG1 VAL 108 -4.749 -1.926 5.644 247 2HG1 VAL 108 2HG1 VAL 108 -4.379 -0.697 4.439 248 3HG1 VAL 108 3HG1 VAL 108 -3.953 -2.380 4.138 249 1HG2 VAL 108 1HG2 VAL 108 -2.529 -0.182 7.318 250 2HG2 VAL 108 2HG2 VAL 108 -1.862 0.573 5.870 251 3HG2 VAL 108 3HG2 VAL 108 -3.609 0.468 6.085 252 H MET 109 H MET 109 -0.131 -2.982 5.466 253 HA MET 109 HA MET 109 -0.873 -5.198 3.837 254 1HB MET 109 1HB MET 109 1.467 -3.709 4.286 255 2HB MET 109 2HB MET 109 1.888 -5.383 4.646 256 1HG MET 109 1HG MET 109 0.314 -5.605 2.374 257 2HG MET 109 2HG MET 109 1.256 -4.156 2.075 258 1HE MET 109 1HE MET 109 3.472 -4.017 3.142 259 2HE MET 109 2HE MET 109 4.252 -5.395 3.904 260 3HE MET 109 3HE MET 109 4.741 -4.899 2.287 261 H THR 110 H THR 110 -0.177 -4.995 7.227 262 HA THR 110 HA THR 110 0.453 -7.861 7.468 263 HB THR 110 HB THR 110 1.500 -6.191 8.984 264 HG1 THR 110 HG1 THR 110 1.510 -7.723 10.400 265 1HG2 THR 110 1HG2 THR 110 -1.355 -5.835 9.927 266 2HG2 THR 110 2HG2 THR 110 0.063 -5.184 10.751 267 3HG2 THR 110 3HG2 THR 110 -0.355 -4.619 9.133 268 H ASN 111 H ASN 111 -2.319 -6.031 7.127 269 HA ASN 111 HA ASN 111 -3.995 -7.939 8.671 270 1HB ASN 111 1HB ASN 111 -4.694 -5.251 7.449 271 2HB ASN 111 2HB ASN 111 -5.798 -6.265 8.378 272 1HD2 ASN 111 1HD2 ASN 111 -4.271 -3.784 10.724 273 2HD2 ASN 111 2HD2 ASN 111 -5.234 -3.680 9.330 274 H LEU 112 H LEU 112 -4.095 -6.222 5.492 275 HA LEU 112 HA LEU 112 -6.112 -7.761 4.347 276 1HB LEU 112 1HB LEU 112 -4.867 -7.402 2.108 277 2HB LEU 112 2HB LEU 112 -5.441 -5.994 2.983 278 HG LEU 112 HG LEU 112 -3.323 -5.191 3.320 279 1HD1 LEU 112 1HD1 LEU 112 -2.579 -8.078 3.823 280 2HD1 LEU 112 2HD1 LEU 112 -1.333 -6.882 3.548 281 3HD1 LEU 112 3HD1 LEU 112 -2.432 -6.700 4.906 282 1HD2 LEU 112 1HD2 LEU 112 -3.597 -6.067 0.878 283 2HD2 LEU 112 2HD2 LEU 112 -2.009 -5.530 1.427 284 3HD2 LEU 112 3HD2 LEU 112 -2.381 -7.252 1.346 285 H GLY 113 H GLY 113 -5.602 -9.377 2.390 286 1HA GLY 113 1HA GLY 113 -4.904 -11.839 3.491 287 2HA GLY 113 2HA GLY 113 -4.816 -11.498 1.765 288 H GLU 114 H GLU 114 -2.728 -9.350 2.328 289 HA GLU 114 HA GLU 114 -0.428 -10.901 1.803 290 1HB GLU 114 1HB GLU 114 -1.032 -8.130 2.250 291 2HB GLU 114 2HB GLU 114 0.448 -8.550 3.114 292 1HG GLU 114 1HG GLU 114 -0.124 -9.073 0.182 293 2HG GLU 114 2HG GLU 114 0.991 -7.865 0.826 294 H LYS 115 H LYS 115 -1.004 -9.143 4.890 295 HA LYS 115 HA LYS 115 -0.329 -9.699 7.073 296 1HB LYS 115 1HB LYS 115 -1.674 -11.776 6.506 297 2HB LYS 115 2HB LYS 115 -0.159 -12.536 6.020 298 1HG LYS 115 1HG LYS 115 0.693 -12.537 8.200 299 2HG LYS 115 2HG LYS 115 -0.391 -11.250 8.729 300 1HD LYS 115 1HD LYS 115 -2.180 -13.177 7.961 301 2HD LYS 115 2HD LYS 115 -0.858 -14.160 8.590 302 1HE LYS 115 1HE LYS 115 -1.878 -13.769 10.596 303 2HE LYS 115 2HE LYS 115 -0.991 -12.247 10.514 304 1HZ LYS 115 1HZ LYS 115 -3.597 -12.415 9.187 305 2HZ LYS 115 2HZ LYS 115 -3.567 -12.293 10.882 306 3HZ LYS 115 3HZ LYS 115 -2.845 -11.087 9.928 307 H LEU 116 H LEU 116 1.734 -9.220 7.799 308 HA LEU 116 HA LEU 116 3.981 -10.848 7.384 309 1HB LEU 116 1HB LEU 116 5.154 -9.934 5.605 310 2HB LEU 116 2HB LEU 116 3.508 -9.788 5.006 311 HG LEU 116 HG LEU 116 4.975 -7.579 6.469 312 1HD1 LEU 116 1HD1 LEU 116 5.499 -8.523 3.916 313 2HD1 LEU 116 2HD1 LEU 116 4.370 -7.206 3.634 314 3HD1 LEU 116 3HD1 LEU 116 5.870 -6.903 4.505 315 1HD2 LEU 116 1HD2 LEU 116 2.382 -7.739 6.412 316 2HD2 LEU 116 2HD2 LEU 116 3.125 -6.217 5.923 317 3HD2 LEU 116 3HD2 LEU 116 2.544 -7.347 4.700 318 H THR 117 H THR 117 5.336 -10.319 8.908 319 HA THR 117 HA THR 117 5.073 -8.701 11.028 320 HB THR 117 HB THR 117 7.507 -8.627 11.289 321 HG1 THR 117 HG1 THR 117 8.798 -9.273 9.538 322 1HG2 THR 117 1HG2 THR 117 5.979 -10.867 11.106 323 2HG2 THR 117 2HG2 THR 117 7.211 -11.219 9.894 324 3HG2 THR 117 3HG2 THR 117 7.684 -10.885 11.558 325 H ASP 118 H ASP 118 5.764 -6.593 11.697 326 HA ASP 118 HA ASP 118 5.188 -4.519 9.761 327 1HB ASP 118 1HB ASP 118 5.883 -3.020 11.719 328 2HB ASP 118 2HB ASP 118 4.497 -4.077 11.985 329 H GLU 119 H GLU 119 8.151 -5.872 11.082 330 HA GLU 119 HA GLU 119 9.811 -3.661 10.188 331 1HB GLU 119 1HB GLU 119 10.637 -6.504 10.860 332 2HB GLU 119 2HB GLU 119 11.703 -5.103 10.756 333 1HG GLU 119 1HG GLU 119 10.029 -4.084 12.529 334 2HG GLU 119 2HG GLU 119 9.666 -5.779 12.850 335 H GLU 120 H GLU 120 8.809 -6.751 8.783 336 HA GLU 120 HA GLU 120 10.645 -6.487 6.536 337 1HB GLU 120 1HB GLU 120 9.754 -8.514 5.754 338 2HB GLU 120 2HB GLU 120 9.599 -8.658 7.501 339 1HG GLU 120 1HG GLU 120 7.396 -9.002 7.237 340 2HG GLU 120 2HG GLU 120 7.241 -7.372 6.589 341 H VAL 121 H VAL 121 7.392 -5.438 7.262 342 HA VAL 121 HA VAL 121 6.749 -4.812 4.470 343 HB VAL 121 HB VAL 121 4.885 -5.309 5.961 344 1HG1 VAL 121 1HG1 VAL 121 6.167 -4.383 8.018 345 2HG1 VAL 121 2HG1 VAL 121 5.530 -2.816 7.534 346 3HG1 VAL 121 3HG1 VAL 121 4.428 -4.125 7.957 347 1HG2 VAL 121 1HG2 VAL 121 4.955 -3.248 4.227 348 2HG2 VAL 121 2HG2 VAL 121 3.510 -3.692 5.136 349 3HG2 VAL 121 3HG2 VAL 121 4.541 -2.378 5.706 350 H ASP 122 H ASP 122 7.562 -2.915 7.388 351 HA ASP 122 HA ASP 122 7.513 -0.348 6.194 352 1HB ASP 122 1HB ASP 122 7.972 -1.193 8.692 353 2HB ASP 122 2HB ASP 122 9.646 -0.940 8.196 354 H GLU 123 H GLU 123 10.326 -2.546 6.571 355 HA GLU 123 HA GLU 123 12.136 -0.848 5.148 356 1HB GLU 123 1HB GLU 123 12.252 -3.364 6.422 357 2HB GLU 123 2HB GLU 123 12.762 -3.643 4.756 358 1HG GLU 123 1HG GLU 123 14.328 -1.683 4.985 359 2HG GLU 123 2HG GLU 123 13.912 -1.620 6.698 360 H MET 124 H MET 124 9.623 -2.992 4.093 361 HA MET 124 HA MET 124 10.642 -3.202 1.351 362 1HB MET 124 1HB MET 124 9.040 -4.822 2.749 363 2HB MET 124 2HB MET 124 7.795 -3.805 2.024 364 1HG MET 124 1HG MET 124 8.010 -4.928 0.090 365 2HG MET 124 2HG MET 124 9.697 -4.426 -0.007 366 1HE MET 124 1HE MET 124 11.611 -5.520 0.884 367 2HE MET 124 2HE MET 124 11.782 -7.270 0.778 368 3HE MET 124 3HE MET 124 11.266 -6.355 -0.636 369 H ILE 125 H ILE 125 8.739 -0.975 3.174 370 HA ILE 125 HA ILE 125 7.141 0.062 1.024 371 HB ILE 125 HB ILE 125 7.495 0.607 3.794 372 1HG1 ILE 125 1HG1 ILE 125 5.492 2.276 2.898 373 2HG1 ILE 125 2HG1 ILE 125 5.589 1.062 1.617 374 1HG2 ILE 125 1HG2 ILE 125 7.816 3.083 2.068 375 2HG2 ILE 125 2HG2 ILE 125 7.407 3.103 3.784 376 3HG2 ILE 125 3HG2 ILE 125 8.970 2.480 3.257 377 1HD1 ILE 125 1HD1 ILE 125 5.783 -0.509 3.839 378 2HD1 ILE 125 2HD1 ILE 125 4.721 0.772 4.427 379 3HD1 ILE 125 3HD1 ILE 125 4.273 -0.162 3.001 380 H ARG 126 H ARG 126 10.464 0.125 1.516 381 HA ARG 126 HA ARG 126 10.941 2.724 0.237 382 1HB ARG 126 1HB ARG 126 12.976 0.507 0.469 383 2HB ARG 126 2HB ARG 126 13.237 2.252 0.505 384 1HG ARG 126 1HG ARG 126 11.950 2.324 2.671 385 2HG ARG 126 2HG ARG 126 11.934 0.560 2.655 386 1HD ARG 126 1HD ARG 126 14.309 2.407 2.894 387 2HD ARG 126 2HD ARG 126 13.816 1.110 3.982 388 HE ARG 126 HE ARG 126 14.327 -0.300 1.729 389 1HH1 ARG 126 1HH1 ARG 126 16.182 1.093 4.095 390 2HH1 ARG 126 2HH1 ARG 126 17.666 1.103 3.203 391 1HH2 ARG 126 1HH2 ARG 126 16.175 0.219 0.199 392 2HH2 ARG 126 2HH2 ARG 126 17.662 0.609 0.997 393 H GLU 127 H GLU 127 9.432 0.268 -0.981 394 HA GLU 127 HA GLU 127 10.888 0.237 -3.579 395 1HB GLU 127 1HB GLU 127 9.397 -1.879 -2.041 396 2HB GLU 127 2HB GLU 127 9.528 -1.992 -3.801 397 1HG GLU 127 1HG GLU 127 12.084 -1.339 -2.533 398 2HG GLU 127 2HG GLU 127 11.430 -2.882 -1.980 399 H ALA 128 H ALA 128 7.823 0.589 -1.881 400 HA ALA 128 HA ALA 128 6.092 0.453 -4.146 401 1HB ALA 128 1HB ALA 128 5.902 1.625 -1.397 402 2HB ALA 128 2HB ALA 128 4.674 2.059 -2.587 403 3HB ALA 128 3HB ALA 128 4.920 0.368 -2.151 404 H ASP 129 H ASP 129 5.798 3.555 -2.659 405 HA ASP 129 HA ASP 129 6.360 4.807 -5.272 406 1HB ASP 129 1HB ASP 129 4.303 5.352 -3.904 407 2HB ASP 129 2HB ASP 129 5.371 6.128 -2.735 408 H ILE 130 H ILE 130 7.982 4.258 -2.326 409 HA ILE 130 HA ILE 130 9.874 5.267 -1.338 410 HB ILE 130 HB ILE 130 11.706 5.628 -3.052 411 1HG1 ILE 130 1HG1 ILE 130 9.540 4.690 -4.963 412 2HG1 ILE 130 2HG1 ILE 130 10.185 6.332 -4.904 413 1HG2 ILE 130 1HG2 ILE 130 10.077 3.105 -2.853 414 2HG2 ILE 130 2HG2 ILE 130 11.524 3.155 -3.861 415 3HG2 ILE 130 3HG2 ILE 130 11.644 3.473 -2.130 416 1HD1 ILE 130 1HD1 ILE 130 12.343 4.409 -5.031 417 2HD1 ILE 130 2HD1 ILE 130 11.220 4.160 -6.368 418 3HD1 ILE 130 3HD1 ILE 130 11.974 5.737 -6.131 419 H ASP 131 H ASP 131 8.826 7.206 -0.578 420 HA ASP 131 HA ASP 131 8.596 9.528 -0.386 421 1HB ASP 131 1HB ASP 131 11.146 9.063 -1.800 422 2HB ASP 131 2HB ASP 131 10.462 10.672 -2.032 423 H GLY 132 H GLY 132 9.837 9.903 -3.634 424 1HA GLY 132 1HA GLY 132 8.797 10.997 -5.458 425 2HA GLY 132 2HA GLY 132 7.670 9.648 -5.302 426 H ASP 133 H ASP 133 5.619 10.411 -5.305 427 HA ASP 133 HA ASP 133 5.074 13.013 -3.945 428 1HB ASP 133 1HB ASP 133 4.406 12.810 -6.347 429 2HB ASP 133 2HB ASP 133 3.335 11.480 -5.904 430 H GLY 134 H GLY 134 5.080 11.964 -1.828 431 1HA GLY 134 1HA GLY 134 3.430 11.452 -0.092 432 2HA GLY 134 2HA GLY 134 2.511 10.541 -1.296 433 H GLN 135 H GLN 135 3.933 9.834 1.388 434 HA GLN 135 HA GLN 135 6.105 8.152 1.111 435 1HB GLN 135 1HB GLN 135 3.596 7.888 2.753 436 2HB GLN 135 2HB GLN 135 4.823 6.621 2.800 437 1HG GLN 135 1HG GLN 135 5.551 9.523 3.197 438 2HG GLN 135 2HG GLN 135 5.013 8.519 4.544 439 1HE2 GLN 135 1HE2 GLN 135 8.814 8.331 3.893 440 2HE2 GLN 135 2HE2 GLN 135 7.780 9.676 3.837 441 H VAL 136 H VAL 136 2.962 6.506 1.256 442 HA VAL 136 HA VAL 136 3.638 5.120 -1.294 443 HB VAL 136 HB VAL 136 4.414 3.523 0.266 444 1HG1 VAL 136 1HG1 VAL 136 3.112 4.884 2.160 445 2HG1 VAL 136 2HG1 VAL 136 1.942 3.583 1.946 446 3HG1 VAL 136 3HG1 VAL 136 3.603 3.210 2.408 447 1HG2 VAL 136 1HG2 VAL 136 2.429 2.858 -1.368 448 2HG2 VAL 136 2HG2 VAL 136 3.058 1.700 -0.196 449 3HG2 VAL 136 3HG2 VAL 136 1.572 2.588 0.149 450 H ASN 137 H ASN 137 1.926 5.683 -2.551 451 HA ASN 137 HA ASN 137 -0.728 6.010 -1.329 452 1HB ASN 137 1HB ASN 137 -1.330 6.546 -3.794 453 2HB ASN 137 2HB ASN 137 -0.338 7.691 -2.899 454 1HD2 ASN 137 1HD2 ASN 137 1.339 5.536 -5.958 455 2HD2 ASN 137 2HD2 ASN 137 -0.182 5.097 -5.349 456 H TYR 138 H TYR 138 -2.361 5.115 -3.447 457 HA TYR 138 HA TYR 138 -2.344 2.261 -2.855 458 1HB TYR 138 1HB TYR 138 -4.052 3.922 -4.724 459 2HB TYR 138 2HB TYR 138 -4.346 2.233 -4.329 460 HD1 TYR 138 HD1 TYR 138 -2.938 3.736 -1.474 461 HD2 TYR 138 HD2 TYR 138 -6.593 3.529 -3.712 462 HE1 TYR 138 HE1 TYR 138 -4.195 4.428 0.534 463 HE2 TYR 138 HE2 TYR 138 -7.862 4.230 -1.700 464 HH TYR 138 HH TYR 138 -7.648 5.146 0.373 465 H GLU 139 H GLU 139 -1.813 4.280 -5.700 466 HA GLU 139 HA GLU 139 -1.530 2.208 -7.580 467 1HB GLU 139 1HB GLU 139 0.201 4.655 -7.778 468 2HB GLU 139 2HB GLU 139 -0.683 3.814 -9.051 469 1HG GLU 139 1HG GLU 139 -2.701 4.602 -7.333 470 2HG GLU 139 2HG GLU 139 -1.578 5.960 -7.263 471 H GLU 140 H GLU 140 0.764 3.481 -5.234 472 HA GLU 140 HA GLU 140 2.904 1.743 -6.339 473 1HB GLU 140 1HB GLU 140 2.886 3.928 -4.244 474 2HB GLU 140 2HB GLU 140 4.289 2.895 -4.527 475 1HG GLU 140 1HG GLU 140 2.988 4.274 -6.855 476 2HG GLU 140 2HG GLU 140 4.078 5.185 -5.808 477 H PHE 141 H PHE 141 0.720 2.075 -3.656 478 HA PHE 141 HA PHE 141 1.995 0.237 -1.852 479 1HB PHE 141 1HB PHE 141 0.271 1.777 -1.064 480 2HB PHE 141 2HB PHE 141 -0.922 1.036 -2.131 481 HD1 PHE 141 HD1 PHE 141 1.659 -0.927 -0.416 482 HD2 PHE 141 HD2 PHE 141 -2.420 0.381 -0.293 483 HE1 PHE 141 HE1 PHE 141 1.171 -2.587 1.315 484 HE2 PHE 141 HE2 PHE 141 -2.896 -1.292 1.472 485 HZ PHE 141 HZ PHE 141 -1.100 -2.782 2.275 486 H VAL 142 H VAL 142 -0.021 -0.152 -4.666 487 HA VAL 142 HA VAL 142 -0.968 -2.799 -4.231 488 HB VAL 142 HB VAL 142 -1.896 -1.602 -6.066 489 1HG1 VAL 142 1HG1 VAL 142 0.946 -0.944 -6.577 490 2HG1 VAL 142 2HG1 VAL 142 -0.057 -1.158 -8.012 491 3HG1 VAL 142 3HG1 VAL 142 -0.499 0.045 -6.800 492 1HG2 VAL 142 1HG2 VAL 142 -0.873 -4.122 -6.400 493 2HG2 VAL 142 2HG2 VAL 142 -1.897 -3.307 -7.581 494 3HG2 VAL 142 3HG2 VAL 142 -0.143 -3.272 -7.761 495 H GLN 143 H GLN 143 2.202 -1.599 -4.778 496 HA GLN 143 HA GLN 143 3.302 -3.991 -6.007 497 1HB GLN 143 1HB GLN 143 4.251 -1.523 -5.875 498 2HB GLN 143 2HB GLN 143 4.979 -2.112 -4.380 499 1HG GLN 143 1HG GLN 143 6.131 -3.875 -5.539 500 2HG GLN 143 2HG GLN 143 5.239 -3.559 -7.027 501 1HE2 GLN 143 1HE2 GLN 143 7.029 -0.291 -7.354 502 2HE2 GLN 143 2HE2 GLN 143 5.405 -0.753 -7.188 503 H MET 144 H MET 144 3.048 -2.750 -2.689 504 HA MET 144 HA MET 144 4.582 -4.888 -1.495 505 1HB MET 144 1HB MET 144 2.376 -3.381 -0.087 506 2HB MET 144 2HB MET 144 3.865 -4.033 0.595 507 1HG MET 144 1HG MET 144 4.352 -2.111 -1.559 508 2HG MET 144 2HG MET 144 3.478 -1.411 -0.198 509 1HE MET 144 1HE MET 144 6.240 -3.065 -1.697 510 2HE MET 144 2HE MET 144 7.209 -1.637 -1.314 511 3HE MET 144 3HE MET 144 7.581 -3.186 -0.561 512 H MET 145 H MET 145 1.243 -4.485 -2.456 513 HA MET 145 HA MET 145 0.196 -6.721 -0.976 514 1HB MET 145 1HB MET 145 -0.814 -5.444 -3.535 515 2HB MET 145 2HB MET 145 -1.734 -6.541 -2.507 516 1HG MET 145 1HG MET 145 -0.796 -4.598 -0.743 517 2HG MET 145 2HG MET 145 -1.249 -3.686 -2.186 518 1HE MET 145 1HE MET 145 -2.945 -2.476 -0.663 519 2HE MET 145 2HE MET 145 -4.284 -3.235 0.193 520 3HE MET 145 3HE MET 145 -2.631 -3.508 0.739 521 H THR 146 H THR 146 1.264 -6.351 -4.366 522 HA THR 146 HA THR 146 1.339 -9.332 -4.556 523 HB THR 146 HB THR 146 -0.086 -8.470 -6.265 524 HG1 THR 146 HG1 THR 146 1.039 -9.805 -7.437 525 1HG2 THR 146 1HG2 THR 146 1.899 -6.274 -6.267 526 2HG2 THR 146 2HG2 THR 146 1.226 -6.691 -7.842 527 3HG2 THR 146 3HG2 THR 146 0.155 -6.217 -6.524 528 H ALA 147 H ALA 147 3.410 -7.502 -3.375 529 HA ALA 147 HA ALA 147 5.614 -7.327 -5.232 530 1HB ALA 147 1HB ALA 147 5.102 -6.674 -2.462 531 2HB ALA 147 2HB ALA 147 6.653 -7.501 -2.612 532 3HB ALA 147 3HB ALA 147 6.343 -6.033 -3.539 533 H LYS 148 H LYS 148 5.732 -9.455 -6.172 534 HA LYS 148 HA LYS 148 6.198 -11.776 -4.456 535 1HB LYS 148 1HB LYS 148 6.409 -13.020 -6.518 536 2HB LYS 148 2HB LYS 148 5.071 -11.888 -6.714 537 1HG LYS 148 1HG LYS 148 6.765 -10.279 -7.750 538 2HG LYS 148 2HG LYS 148 7.882 -11.642 -7.804 539 1HD LYS 148 1HD LYS 148 6.839 -12.544 -9.591 540 2HD LYS 148 2HD LYS 148 5.251 -12.350 -8.848 541 1HE LYS 148 1HE LYS 148 5.246 -10.980 -10.816 542 2HE LYS 148 2HE LYS 148 5.400 -9.883 -9.445 543 1HZ LYS 148 1HZ LYS 148 7.933 -10.291 -9.879 544 2HZ LYS 148 2HZ LYS 148 7.395 -10.653 -11.446 545 3HZ LYS 148 3HZ LYS 148 7.072 -9.128 -10.769 No H/Q in entry = 545 Start of MODEL 3 Raw file had 555 H/Q atoms Start of MODEL 3 1 1H MET 76 1H MET 76 -14.556 -0.790 -18.398 2 2H MET 76 2H MET 76 -15.796 0.133 -17.691 3 3H MET 76 3H MET 76 -14.441 0.905 -18.357 4 HA MET 76 HA MET 76 -13.979 0.975 -16.109 5 1HB MET 76 1HB MET 76 -15.931 -0.596 -15.612 6 2HB MET 76 2HB MET 76 -14.802 -1.927 -15.866 7 1HG MET 76 1HG MET 76 -14.807 -1.474 -13.508 8 2HG MET 76 2HG MET 76 -13.292 -0.830 -14.143 9 1HE MET 76 1HE MET 76 -12.529 0.506 -12.926 10 2HE MET 76 2HE MET 76 -12.766 2.174 -13.464 11 3HE MET 76 3HE MET 76 -13.279 1.684 -11.852 12 H LYS 77 H LYS 77 -11.800 1.139 -16.535 13 HA LYS 77 HA LYS 77 -10.223 -1.345 -16.427 14 1HB LYS 77 1HB LYS 77 -10.837 -0.734 -18.899 15 2HB LYS 77 2HB LYS 77 -9.632 0.538 -18.698 16 1HG LYS 77 1HG LYS 77 -8.256 -1.160 -19.442 17 2HG LYS 77 2HG LYS 77 -8.200 -1.485 -17.708 18 1HD LYS 77 1HD LYS 77 -10.522 -2.746 -18.883 19 2HD LYS 77 2HD LYS 77 -9.060 -3.246 -19.733 20 1HE LYS 77 1HE LYS 77 -9.258 -3.244 -16.716 21 2HE LYS 77 2HE LYS 77 -9.697 -4.647 -17.692 22 1HZ LYS 77 1HZ LYS 77 -7.317 -3.997 -18.725 23 2HZ LYS 77 2HZ LYS 77 -7.086 -3.547 -17.103 24 3HZ LYS 77 3HZ LYS 77 -7.535 -5.137 -17.485 25 H ASP 78 H ASP 78 -10.692 1.342 -14.996 26 HA ASP 78 HA ASP 78 -8.088 2.672 -15.210 27 1HB ASP 78 1HB ASP 78 -10.631 3.113 -13.731 28 2HB ASP 78 2HB ASP 78 -9.164 3.724 -12.965 29 H THR 79 H THR 79 -9.803 0.881 -12.621 30 HA THR 79 HA THR 79 -7.154 0.417 -11.332 31 HB THR 79 HB THR 79 -9.887 -0.136 -10.153 32 HG1 THR 79 HG1 THR 79 -9.918 2.006 -10.467 33 1HG2 THR 79 1HG2 THR 79 -7.060 -0.043 -9.160 34 2HG2 THR 79 2HG2 THR 79 -8.370 0.377 -8.056 35 3HG2 THR 79 3HG2 THR 79 -8.328 -1.217 -8.810 36 H ASP 80 H ASP 80 -6.273 -1.594 -11.469 37 HA ASP 80 HA ASP 80 -8.095 -3.896 -12.004 38 1HB ASP 80 1HB ASP 80 -6.823 -2.987 -14.075 39 2HB ASP 80 2HB ASP 80 -5.386 -3.671 -13.313 40 H SER 81 H SER 81 -6.800 -2.965 -9.532 41 HA SER 81 HA SER 81 -5.811 -5.457 -8.562 42 1HB SER 81 1HB SER 81 -3.890 -4.408 -10.100 43 2HB SER 81 2HB SER 81 -3.548 -3.508 -8.624 44 HG SER 81 HG SER 81 -3.524 -6.291 -9.086 45 H GLU 82 H GLU 82 -5.823 -1.936 -8.248 46 HA GLU 82 HA GLU 82 -5.475 -2.079 -5.334 47 1HB GLU 82 1HB GLU 82 -6.413 0.394 -6.744 48 2HB GLU 82 2HB GLU 82 -5.300 0.238 -5.384 49 1HG GLU 82 1HG GLU 82 -3.715 -0.938 -7.037 50 2HG GLU 82 2HG GLU 82 -4.763 -0.303 -8.307 51 H GLU 83 H GLU 83 -7.968 -2.985 -7.152 52 HA GLU 83 HA GLU 83 -10.193 -1.501 -6.154 53 1HB GLU 83 1HB GLU 83 -11.521 -3.070 -7.207 54 2HB GLU 83 2HB GLU 83 -9.998 -3.358 -8.045 55 1HG GLU 83 1HG GLU 83 -9.476 -5.187 -6.497 56 2HG GLU 83 2HG GLU 83 -10.974 -4.881 -5.622 57 H GLU 84 H GLU 84 -8.366 -4.201 -4.830 58 HA GLU 84 HA GLU 84 -10.177 -4.267 -2.467 59 1HB GLU 84 1HB GLU 84 -7.937 -6.107 -3.361 60 2HB GLU 84 2HB GLU 84 -8.824 -6.299 -1.848 61 1HG GLU 84 1HG GLU 84 -10.610 -7.205 -2.895 62 2HG GLU 84 2HG GLU 84 -10.599 -5.964 -4.149 63 H ILE 85 H ILE 85 -7.073 -3.170 -3.523 64 HA ILE 85 HA ILE 85 -5.779 -3.072 -0.942 65 HB ILE 85 HB ILE 85 -5.305 -1.546 -3.516 66 1HG1 ILE 85 1HG1 ILE 85 -3.423 -3.540 -2.324 67 2HG1 ILE 85 2HG1 ILE 85 -4.887 -4.152 -3.094 68 1HG2 ILE 85 1HG2 ILE 85 -4.319 -1.045 -0.847 69 2HG2 ILE 85 2HG2 ILE 85 -2.992 -1.545 -1.895 70 3HG2 ILE 85 3HG2 ILE 85 -3.987 -0.157 -2.334 71 1HD1 ILE 85 1HD1 ILE 85 -3.697 -2.091 -4.731 72 2HD1 ILE 85 2HD1 ILE 85 -2.507 -3.343 -4.372 73 3HD1 ILE 85 3HD1 ILE 85 -4.035 -3.773 -5.141 74 H ARG 86 H ARG 86 -7.163 -0.419 -2.935 75 HA ARG 86 HA ARG 86 -7.007 1.539 -0.897 76 1HB ARG 86 1HB ARG 86 -8.252 2.918 -2.291 77 2HB ARG 86 2HB ARG 86 -7.633 1.745 -3.452 78 1HG ARG 86 1HG ARG 86 -9.882 1.728 -4.016 79 2HG ARG 86 2HG ARG 86 -9.864 0.447 -2.802 80 1HD ARG 86 1HD ARG 86 -10.209 2.569 -1.173 81 2HD ARG 86 2HD ARG 86 -10.976 3.203 -2.630 82 HE ARG 86 HE ARG 86 -12.035 1.090 -0.941 83 1HH1 ARG 86 1HH1 ARG 86 -12.610 3.118 -3.540 84 2HH1 ARG 86 2HH1 ARG 86 -13.743 2.078 -4.335 85 1HH2 ARG 86 1HH2 ARG 86 -13.170 -0.607 -2.221 86 2HH2 ARG 86 2HH2 ARG 86 -14.059 -0.030 -3.589 87 H GLU 87 H GLU 87 -9.245 -1.100 -1.281 88 HA GLU 87 HA GLU 87 -11.286 0.074 0.442 89 1HB GLU 87 1HB GLU 87 -12.108 -1.574 -1.051 90 2HB GLU 87 2HB GLU 87 -10.800 -2.693 -0.673 91 1HG GLU 87 1HG GLU 87 -13.097 -3.202 0.368 92 2HG GLU 87 2HG GLU 87 -11.711 -3.209 1.457 93 H ALA 88 H ALA 88 -8.703 -2.357 0.836 94 HA ALA 88 HA ALA 88 -9.197 -2.409 3.754 95 1HB ALA 88 1HB ALA 88 -8.643 -4.507 2.470 96 2HB ALA 88 2HB ALA 88 -7.043 -3.831 2.159 97 3HB ALA 88 3HB ALA 88 -7.545 -4.185 3.813 98 H PHE 89 H PHE 89 -8.011 -0.138 1.997 99 HA PHE 89 HA PHE 89 -5.854 0.538 3.897 100 1HB PHE 89 1HB PHE 89 -5.101 -0.406 1.500 101 2HB PHE 89 2HB PHE 89 -5.388 1.277 1.046 102 HD1 PHE 89 HD1 PHE 89 -3.441 -0.978 3.205 103 HD2 PHE 89 HD2 PHE 89 -4.027 3.093 1.952 104 HE1 PHE 89 HE1 PHE 89 -1.340 -0.329 4.344 105 HE2 PHE 89 HE2 PHE 89 -1.942 3.729 3.101 106 HZ PHE 89 HZ PHE 89 -0.590 2.018 4.296 107 H ARG 90 H ARG 90 -8.688 1.411 2.319 108 HA ARG 90 HA ARG 90 -8.286 4.173 1.787 109 1HB ARG 90 1HB ARG 90 -10.777 4.333 2.267 110 2HB ARG 90 2HB ARG 90 -10.347 3.125 1.057 111 1HG ARG 90 1HG ARG 90 -10.509 1.345 2.694 112 2HG ARG 90 2HG ARG 90 -10.755 2.511 3.994 113 1HD ARG 90 1HD ARG 90 -12.773 1.257 2.577 114 2HD ARG 90 2HD ARG 90 -12.961 2.729 3.527 115 HE ARG 90 HE ARG 90 -12.264 2.871 0.619 116 1HH1 ARG 90 1HH1 ARG 90 -13.121 4.771 3.172 117 2HH1 ARG 90 2HH1 ARG 90 -14.524 5.479 2.443 118 1HH2 ARG 90 1HH2 ARG 90 -14.549 3.302 -0.255 119 2HH2 ARG 90 2HH2 ARG 90 -15.332 4.648 0.505 120 H VAL 91 H VAL 91 -8.694 2.237 4.555 121 HA VAL 91 HA VAL 91 -9.494 3.715 6.648 122 HB VAL 91 HB VAL 91 -7.236 1.800 6.208 123 1HG1 VAL 91 1HG1 VAL 91 -7.735 3.427 8.714 124 2HG1 VAL 91 2HG1 VAL 91 -7.064 1.798 8.817 125 3HG1 VAL 91 3HG1 VAL 91 -6.199 3.055 7.931 126 1HG2 VAL 91 1HG2 VAL 91 -9.797 1.351 6.452 127 2HG2 VAL 91 2HG2 VAL 91 -8.663 0.311 7.318 128 3HG2 VAL 91 3HG2 VAL 91 -9.510 1.599 8.176 129 H PHE 92 H PHE 92 -6.508 4.232 4.845 130 HA PHE 92 HA PHE 92 -5.615 6.347 6.696 131 1HB PHE 92 1HB PHE 92 -4.442 5.423 4.070 132 2HB PHE 92 2HB PHE 92 -3.669 6.491 5.245 133 HD1 PHE 92 HD1 PHE 92 -2.966 5.642 7.455 134 HD2 PHE 92 HD2 PHE 92 -4.633 3.046 4.472 135 HE1 PHE 92 HE1 PHE 92 -2.141 3.669 8.712 136 HE2 PHE 92 HE2 PHE 92 -3.807 1.080 5.722 137 HZ PHE 92 HZ PHE 92 -2.563 1.382 7.844 138 H ASP 93 H ASP 93 -6.125 6.200 3.160 139 HA ASP 93 HA ASP 93 -6.809 9.076 3.166 140 1HB ASP 93 1HB ASP 93 -5.240 8.457 1.457 141 2HB ASP 93 2HB ASP 93 -6.215 7.069 0.975 142 H LYS 94 H LYS 94 -8.776 7.762 4.467 143 HA LYS 94 HA LYS 94 -10.835 6.503 3.039 144 1HB LYS 94 1HB LYS 94 -11.201 8.604 5.201 145 2HB LYS 94 2HB LYS 94 -12.374 7.372 4.736 146 1HG LYS 94 1HG LYS 94 -11.183 5.660 5.737 147 2HG LYS 94 2HG LYS 94 -9.633 6.473 5.522 148 1HD LYS 94 1HD LYS 94 -9.834 6.936 7.741 149 2HD LYS 94 2HD LYS 94 -10.904 8.224 7.186 150 1HE LYS 94 1HE LYS 94 -12.299 7.172 8.708 151 2HE LYS 94 2HE LYS 94 -12.714 6.283 7.243 152 1HZ LYS 94 1HZ LYS 94 -10.762 4.773 7.978 153 2HZ LYS 94 2HZ LYS 94 -11.042 5.448 9.512 154 3HZ LYS 94 3HZ LYS 94 -12.279 4.597 8.717 155 H ASP 95 H ASP 95 -9.734 9.776 2.900 156 HA ASP 95 HA ASP 95 -10.902 10.465 0.474 157 1HB ASP 95 1HB ASP 95 -12.881 10.345 2.548 158 2HB ASP 95 2HB ASP 95 -12.670 12.032 2.078 159 H GLY 96 H GLY 96 -8.544 10.986 1.929 160 1HA GLY 96 1HA GLY 96 -8.750 13.936 2.379 161 2HA GLY 96 2HA GLY 96 -7.615 12.906 3.250 162 H ASN 97 H ASN 97 -6.104 11.597 1.669 163 HA ASN 97 HA ASN 97 -5.256 13.510 -0.477 164 1HB ASN 97 1HB ASN 97 -3.785 12.214 1.700 165 2HB ASN 97 2HB ASN 97 -3.019 12.000 0.126 166 1HD2 ASN 97 1HD2 ASN 97 -2.823 15.669 -0.334 167 2HD2 ASN 97 2HD2 ASN 97 -3.438 14.348 -1.202 168 H GLY 98 H GLY 98 -4.312 10.154 0.294 169 1HA GLY 98 1HA GLY 98 -5.546 8.539 -1.445 170 2HA GLY 98 2HA GLY 98 -4.564 9.486 -2.572 171 H TYR 99 H TYR 99 -2.395 9.887 -0.685 172 HA TYR 99 HA TYR 99 -1.191 7.166 -0.825 173 1HB TYR 99 1HB TYR 99 0.942 8.252 -0.850 174 2HB TYR 99 2HB TYR 99 -0.071 9.153 -1.973 175 HD1 TYR 99 HD1 TYR 99 1.446 9.172 1.406 176 HD2 TYR 99 HD2 TYR 99 -0.792 11.409 -1.498 177 HE1 TYR 99 HE1 TYR 99 1.806 11.240 2.723 178 HE2 TYR 99 HE2 TYR 99 -0.432 13.478 -0.180 179 HH TYR 99 HH TYR 99 1.758 14.015 1.834 180 H ILE 100 H ILE 100 0.728 7.260 1.048 181 HA ILE 100 HA ILE 100 -0.398 8.201 3.602 182 HB ILE 100 HB ILE 100 -0.349 5.766 4.438 183 1HG1 ILE 100 1HG1 ILE 100 -1.012 4.730 1.817 184 2HG1 ILE 100 2HG1 ILE 100 0.610 5.424 1.818 185 1HG2 ILE 100 1HG2 ILE 100 -2.441 7.091 3.949 186 2HG2 ILE 100 2HG2 ILE 100 -2.410 6.424 2.315 187 3HG2 ILE 100 3HG2 ILE 100 -2.614 5.353 3.695 188 1HD1 ILE 100 1HD1 ILE 100 -0.139 3.765 4.149 189 2HD1 ILE 100 2HD1 ILE 100 0.122 2.922 2.617 190 3HD1 ILE 100 3HD1 ILE 100 1.412 3.902 3.314 191 H SER 101 H SER 101 1.049 6.684 5.349 192 HA SER 101 HA SER 101 3.866 7.226 4.512 193 1HB SER 101 1HB SER 101 2.689 8.303 6.622 194 2HB SER 101 2HB SER 101 3.056 6.746 7.361 195 HG SER 101 HG SER 101 4.726 8.383 7.566 196 H ALA 102 H ALA 102 5.335 5.691 6.124 197 HA ALA 102 HA ALA 102 4.902 3.005 5.114 198 1HB ALA 102 1HB ALA 102 6.862 4.180 7.101 199 2HB ALA 102 2HB ALA 102 6.856 2.470 6.667 200 3HB ALA 102 3HB ALA 102 7.176 3.691 5.436 201 H ALA 103 H ALA 103 4.812 4.413 8.410 202 HA ALA 103 HA ALA 103 3.995 2.082 9.766 203 1HB ALA 103 1HB ALA 103 4.267 4.809 10.405 204 2HB ALA 103 2HB ALA 103 2.587 4.418 10.770 205 3HB ALA 103 3HB ALA 103 3.890 3.500 11.526 206 H GLU 104 H GLU 104 2.289 4.046 7.506 207 HA GLU 104 HA GLU 104 -0.378 3.195 8.319 208 1HB GLU 104 1HB GLU 104 0.774 4.613 5.915 209 2HB GLU 104 2HB GLU 104 -0.895 4.034 5.897 210 1HG GLU 104 1HG GLU 104 -1.126 6.217 6.722 211 2HG GLU 104 2HG GLU 104 -1.082 5.253 8.199 212 H LEU 105 H LEU 105 1.993 2.251 5.851 213 HA LEU 105 HA LEU 105 0.428 0.216 4.599 214 1HB LEU 105 1HB LEU 105 2.915 1.340 4.211 215 2HB LEU 105 2HB LEU 105 3.310 -0.290 4.760 216 HG LEU 105 HG LEU 105 1.119 -0.430 2.934 217 1HD1 LEU 105 1HD1 LEU 105 3.103 1.593 2.302 218 2HD1 LEU 105 2HD1 LEU 105 3.093 0.312 1.090 219 3HD1 LEU 105 3HD1 LEU 105 1.608 1.197 1.451 220 1HD2 LEU 105 1HD2 LEU 105 3.893 -1.488 3.243 221 2HD2 LEU 105 2HD2 LEU 105 2.377 -2.364 3.053 222 3HD2 LEU 105 3HD2 LEU 105 3.152 -1.630 1.650 223 H ARG 106 H ARG 106 3.133 -0.181 6.938 224 HA ARG 106 HA ARG 106 3.128 -2.850 7.441 225 1HB ARG 106 1HB ARG 106 3.553 -2.356 9.847 226 2HB ARG 106 2HB ARG 106 4.478 -1.318 8.765 227 1HG ARG 106 1HG ARG 106 3.637 0.304 10.153 228 2HG ARG 106 2HG ARG 106 2.294 0.208 9.014 229 1HD ARG 106 1HD ARG 106 0.924 -0.419 10.684 230 2HD ARG 106 2HD ARG 106 1.929 -1.840 10.969 231 HE ARG 106 HE ARG 106 2.723 0.753 12.199 232 1HH1 ARG 106 1HH1 ARG 106 0.706 -1.865 12.785 233 2HH1 ARG 106 2HH1 ARG 106 1.412 -2.295 14.307 234 1HH2 ARG 106 1HH2 ARG 106 4.054 -0.070 14.011 235 2HH2 ARG 106 2HH2 ARG 106 3.308 -1.280 15.000 236 H HIS 107 H HIS 107 0.668 -0.658 8.722 237 HA HIS 107 HA HIS 107 -0.747 -2.548 10.295 238 1HB HIS 107 1HB HIS 107 -1.081 -0.121 10.472 239 2HB HIS 107 2HB HIS 107 -1.821 -0.103 8.872 240 HD1 HIS 107 HD1 HIS 107 -2.685 -0.388 12.360 241 HD2 HIS 107 HD2 HIS 107 -4.223 -1.957 8.818 242 HE1 HIS 107 HE1 HIS 107 -5.035 -1.169 12.885 243 H VAL 108 H VAL 108 -1.413 -1.578 6.886 244 HA VAL 108 HA VAL 108 -3.561 -3.590 6.776 245 HB VAL 108 HB VAL 108 -2.495 -1.697 4.676 246 1HG1 VAL 108 1HG1 VAL 108 -4.755 -3.705 4.647 247 2HG1 VAL 108 2HG1 VAL 108 -4.635 -2.381 3.491 248 3HG1 VAL 108 3HG1 VAL 108 -3.382 -3.621 3.545 249 1HG2 VAL 108 1HG2 VAL 108 -5.038 -1.748 6.331 250 2HG2 VAL 108 2HG2 VAL 108 -3.689 -0.633 6.554 251 3HG2 VAL 108 3HG2 VAL 108 -4.660 -0.563 5.082 252 H MET 109 H MET 109 -0.346 -3.199 5.259 253 HA MET 109 HA MET 109 -0.584 -5.546 3.632 254 1HB MET 109 1HB MET 109 1.339 -3.573 4.019 255 2HB MET 109 2HB MET 109 2.126 -5.038 4.606 256 1HG MET 109 1HG MET 109 0.904 -5.931 2.310 257 2HG MET 109 2HG MET 109 1.371 -4.291 1.862 258 1HE MET 109 1HE MET 109 3.456 -3.712 3.746 259 2HE MET 109 2HE MET 109 5.041 -4.391 3.382 260 3HE MET 109 3HE MET 109 4.182 -3.436 2.164 261 H THR 110 H THR 110 -0.491 -5.234 6.980 262 HA THR 110 HA THR 110 0.919 -7.786 7.459 263 HB THR 110 HB THR 110 -0.040 -5.496 9.127 264 HG1 THR 110 HG1 THR 110 2.059 -5.846 9.993 265 1HG2 THR 110 1HG2 THR 110 0.090 -8.351 10.028 266 2HG2 THR 110 2HG2 THR 110 0.613 -7.080 11.132 267 3HG2 THR 110 3HG2 THR 110 -1.034 -7.078 10.504 268 H ASN 111 H ASN 111 -2.285 -6.662 6.964 269 HA ASN 111 HA ASN 111 -3.368 -9.211 8.103 270 1HB ASN 111 1HB ASN 111 -5.596 -7.847 7.994 271 2HB ASN 111 2HB ASN 111 -4.462 -7.510 9.303 272 1HD2 ASN 111 1HD2 ASN 111 -4.382 -4.122 8.369 273 2HD2 ASN 111 2HD2 ASN 111 -4.479 -5.274 9.612 274 H LEU 112 H LEU 112 -2.988 -7.220 5.335 275 HA LEU 112 HA LEU 112 -5.075 -8.158 3.648 276 1HB LEU 112 1HB LEU 112 -2.423 -6.854 3.297 277 2HB LEU 112 2HB LEU 112 -3.034 -7.724 1.896 278 HG LEU 112 HG LEU 112 -3.638 -5.129 2.410 279 1HD1 LEU 112 1HD1 LEU 112 -5.365 -7.270 1.134 280 2HD1 LEU 112 2HD1 LEU 112 -5.682 -5.543 0.970 281 3HD1 LEU 112 3HD1 LEU 112 -4.182 -6.228 0.341 282 1HD2 LEU 112 1HD2 LEU 112 -4.868 -5.961 4.534 283 2HD2 LEU 112 2HD2 LEU 112 -5.749 -4.868 3.467 284 3HD2 LEU 112 3HD2 LEU 112 -6.083 -6.597 3.427 285 H GLY 113 H GLY 113 -3.864 -9.331 1.441 286 1HA GLY 113 1HA GLY 113 -3.689 -12.086 2.256 287 2HA GLY 113 2HA GLY 113 -3.321 -11.475 0.642 288 H GLU 114 H GLU 114 -1.445 -9.567 2.395 289 HA GLU 114 HA GLU 114 0.941 -11.205 1.925 290 1HB GLU 114 1HB GLU 114 0.349 -8.362 2.534 291 2HB GLU 114 2HB GLU 114 1.889 -8.975 3.139 292 1HG GLU 114 1HG GLU 114 0.915 -9.138 0.269 293 2HG GLU 114 2HG GLU 114 2.172 -8.059 0.877 294 H LYS 115 H LYS 115 -0.113 -9.306 4.787 295 HA LYS 115 HA LYS 115 0.248 -9.734 7.070 296 1HB LYS 115 1HB LYS 115 0.154 -12.672 6.443 297 2HB LYS 115 2HB LYS 115 -0.531 -11.809 7.820 298 1HG LYS 115 1HG LYS 115 -2.124 -10.688 6.209 299 2HG LYS 115 2HG LYS 115 -1.533 -11.788 4.962 300 1HD LYS 115 1HD LYS 115 -2.523 -12.856 7.598 301 2HD LYS 115 2HD LYS 115 -3.656 -12.474 6.302 302 1HE LYS 115 1HE LYS 115 -1.366 -13.978 5.314 303 2HE LYS 115 2HE LYS 115 -2.222 -14.852 6.586 304 1HZ LYS 115 1HZ LYS 115 -3.636 -13.571 4.325 305 2HZ LYS 115 2HZ LYS 115 -3.060 -15.167 4.242 306 3HZ LYS 115 3HZ LYS 115 -4.223 -14.746 5.402 307 H LEU 116 H LEU 116 2.513 -9.009 6.818 308 HA LEU 116 HA LEU 116 4.430 -11.293 7.006 309 1HB LEU 116 1HB LEU 116 6.130 -9.639 6.134 310 2HB LEU 116 2HB LEU 116 4.863 -10.050 4.976 311 HG LEU 116 HG LEU 116 4.382 -7.712 6.780 312 1HD1 LEU 116 1HD1 LEU 116 6.584 -7.931 4.825 313 2HD1 LEU 116 2HD1 LEU 116 5.551 -6.515 4.623 314 3HD1 LEU 116 3HD1 LEU 116 6.366 -6.801 6.161 315 1HD2 LEU 116 1HD2 LEU 116 2.792 -8.686 4.997 316 2HD2 LEU 116 2HD2 LEU 116 3.077 -6.947 4.945 317 3HD2 LEU 116 3HD2 LEU 116 3.906 -8.012 3.809 318 H THR 117 H THR 117 6.063 -8.480 7.615 319 HA THR 117 HA THR 117 5.373 -8.471 10.512 320 HB THR 117 HB THR 117 8.230 -8.095 9.854 321 HG1 THR 117 HG1 THR 117 8.592 -10.243 9.448 322 1HG2 THR 117 1HG2 THR 117 6.879 -8.389 12.130 323 2HG2 THR 117 2HG2 THR 117 7.154 -10.098 11.794 324 3HG2 THR 117 3HG2 THR 117 8.525 -8.999 11.959 325 H ASP 118 H ASP 118 6.308 -6.439 11.575 326 HA ASP 118 HA ASP 118 5.662 -4.147 9.914 327 1HB ASP 118 1HB ASP 118 5.429 -4.432 12.507 328 2HB ASP 118 2HB ASP 118 7.119 -3.935 12.542 329 H GLU 119 H GLU 119 8.571 -5.859 10.759 330 HA GLU 119 HA GLU 119 10.358 -3.689 9.941 331 1HB GLU 119 1HB GLU 119 10.840 -6.615 10.572 332 2HB GLU 119 2HB GLU 119 12.124 -5.487 10.138 333 1HG GLU 119 1HG GLU 119 10.252 -4.663 12.312 334 2HG GLU 119 2HG GLU 119 11.437 -5.914 12.689 335 H GLU 120 H GLU 120 8.906 -6.548 8.472 336 HA GLU 120 HA GLU 120 10.574 -6.402 6.082 337 1HB GLU 120 1HB GLU 120 7.907 -7.794 6.510 338 2HB GLU 120 2HB GLU 120 9.010 -8.064 5.159 339 1HG GLU 120 1HG GLU 120 10.177 -8.333 7.879 340 2HG GLU 120 2HG GLU 120 9.037 -9.588 7.388 341 H VAL 121 H VAL 121 7.292 -5.393 6.976 342 HA VAL 121 HA VAL 121 6.614 -4.310 4.401 343 HB VAL 121 HB VAL 121 4.809 -4.777 5.899 344 1HG1 VAL 121 1HG1 VAL 121 6.570 -3.965 7.900 345 2HG1 VAL 121 2HG1 VAL 121 5.280 -2.764 7.933 346 3HG1 VAL 121 3HG1 VAL 121 4.898 -4.476 8.119 347 1HG2 VAL 121 1HG2 VAL 121 4.976 -2.453 4.570 348 2HG2 VAL 121 2HG2 VAL 121 3.580 -2.858 5.568 349 3HG2 VAL 121 3HG2 VAL 121 4.849 -1.814 6.210 350 H ASP 122 H ASP 122 7.922 -2.852 7.369 351 HA ASP 122 HA ASP 122 8.012 -0.174 6.324 352 1HB ASP 122 1HB ASP 122 8.211 -0.940 8.774 353 2HB ASP 122 2HB ASP 122 9.902 -1.281 8.404 354 H GLU 123 H GLU 123 10.380 -2.825 6.393 355 HA GLU 123 HA GLU 123 12.404 -1.208 5.028 356 1HB GLU 123 1HB GLU 123 12.639 -3.326 6.662 357 2HB GLU 123 2HB GLU 123 12.603 -4.184 5.121 358 1HG GLU 123 1HG GLU 123 14.893 -3.737 5.430 359 2HG GLU 123 2HG GLU 123 14.369 -2.439 4.356 360 H MET 124 H MET 124 9.596 -2.725 4.063 361 HA MET 124 HA MET 124 10.667 -3.481 1.395 362 1HB MET 124 1HB MET 124 9.213 -5.140 2.442 363 2HB MET 124 2HB MET 124 7.954 -3.927 2.677 364 1HG MET 124 1HG MET 124 7.186 -4.235 0.585 365 2HG MET 124 2HG MET 124 8.794 -3.970 -0.091 366 1HE MET 124 1HE MET 124 10.526 -5.554 -0.441 367 2HE MET 124 2HE MET 124 10.591 -6.267 1.176 368 3HE MET 124 3HE MET 124 10.477 -7.304 -0.243 369 H ILE 125 H ILE 125 8.988 -0.967 3.033 370 HA ILE 125 HA ILE 125 7.449 0.039 0.824 371 HB ILE 125 HB ILE 125 8.109 0.873 3.536 372 1HG1 ILE 125 1HG1 ILE 125 5.887 2.275 2.519 373 2HG1 ILE 125 2HG1 ILE 125 5.897 0.720 1.685 374 1HG2 ILE 125 1HG2 ILE 125 9.357 2.684 2.345 375 2HG2 ILE 125 2HG2 ILE 125 7.875 3.096 1.481 376 3HG2 ILE 125 3HG2 ILE 125 7.959 3.293 3.232 377 1HD1 ILE 125 1HD1 ILE 125 6.406 -0.185 4.139 378 2HD1 ILE 125 2HD1 ILE 125 5.590 1.308 4.600 379 3HD1 ILE 125 3HD1 ILE 125 4.755 0.119 3.602 380 H ARG 126 H ARG 126 10.829 0.262 1.696 381 HA ARG 126 HA ARG 126 11.638 2.524 0.245 382 1HB ARG 126 1HB ARG 126 13.732 0.997 -0.251 383 2HB ARG 126 2HB ARG 126 13.374 1.481 1.406 384 1HG ARG 126 1HG ARG 126 12.532 -0.618 1.987 385 2HG ARG 126 2HG ARG 126 12.179 -1.048 0.311 386 1HD ARG 126 1HD ARG 126 14.145 -2.289 1.128 387 2HD ARG 126 2HD ARG 126 14.601 -1.178 -0.165 388 HE ARG 126 HE ARG 126 14.915 0.127 2.369 389 1HH1 ARG 126 1HH1 ARG 126 16.678 -0.773 -0.217 390 2HH1 ARG 126 2HH1 ARG 126 18.090 -1.291 0.641 391 1HH2 ARG 126 1HH2 ARG 126 16.551 -1.218 3.748 392 2HH2 ARG 126 2HH2 ARG 126 18.018 -1.544 2.887 393 H GLU 127 H GLU 127 10.285 -0.438 -0.884 394 HA GLU 127 HA GLU 127 11.253 -0.131 -3.636 395 1HB GLU 127 1HB GLU 127 10.891 -2.379 -2.755 396 2HB GLU 127 2HB GLU 127 9.210 -1.990 -2.381 397 1HG GLU 127 1HG GLU 127 8.633 -1.813 -4.688 398 2HG GLU 127 2HG GLU 127 10.325 -1.785 -5.185 399 H ALA 128 H ALA 128 8.244 0.436 -1.814 400 HA ALA 128 HA ALA 128 6.844 1.290 -4.259 401 1HB ALA 128 1HB ALA 128 6.034 1.186 -1.344 402 2HB ALA 128 2HB ALA 128 4.979 1.790 -2.622 403 3HB ALA 128 3HB ALA 128 5.514 0.110 -2.642 404 H ASP 129 H ASP 129 7.556 2.879 -1.117 405 HA ASP 129 HA ASP 129 7.157 5.507 -2.391 406 1HB ASP 129 1HB ASP 129 6.210 5.263 -0.199 407 2HB ASP 129 2HB ASP 129 7.729 4.651 0.453 408 H ILE 130 H ILE 130 8.836 6.502 -3.371 409 HA ILE 130 HA ILE 130 11.399 6.787 -2.041 410 HB ILE 130 HB ILE 130 12.724 5.819 -3.974 411 1HG1 ILE 130 1HG1 ILE 130 10.744 5.700 -5.538 412 2HG1 ILE 130 2HG1 ILE 130 11.675 4.209 -5.432 413 1HG2 ILE 130 1HG2 ILE 130 12.229 4.714 -1.696 414 2HG2 ILE 130 2HG2 ILE 130 11.101 3.694 -2.588 415 3HG2 ILE 130 3HG2 ILE 130 12.817 3.680 -2.997 416 1HD1 ILE 130 1HD1 ILE 130 9.914 3.694 -3.486 417 2HD1 ILE 130 2HD1 ILE 130 8.931 4.807 -4.435 418 3HD1 ILE 130 3HD1 ILE 130 9.559 3.336 -5.175 419 H ASP 131 H ASP 131 10.960 8.997 -2.300 420 HA ASP 131 HA ASP 131 11.409 11.025 -3.444 421 1HB ASP 131 1HB ASP 131 11.314 9.557 -6.074 422 2HB ASP 131 2HB ASP 131 12.164 11.050 -5.675 423 H GLY 132 H GLY 132 9.216 8.765 -5.138 424 1HA GLY 132 1HA GLY 132 7.476 10.524 -6.371 425 2HA GLY 132 2HA GLY 132 6.919 9.039 -5.598 426 H ASP 133 H ASP 133 5.729 11.817 -5.708 427 HA ASP 133 HA ASP 133 5.872 12.801 -2.959 428 1HB ASP 133 1HB ASP 133 4.060 13.497 -5.288 429 2HB ASP 133 2HB ASP 133 4.004 14.310 -3.724 430 H GLY 134 H GLY 134 4.680 12.017 -1.295 431 1HA GLY 134 1HA GLY 134 2.352 11.463 -0.515 432 2HA GLY 134 2HA GLY 134 2.210 10.457 -1.958 433 H GLN 135 H GLN 135 5.294 10.453 -0.384 434 HA GLN 135 HA GLN 135 6.427 8.649 0.630 435 1HB GLN 135 1HB GLN 135 3.779 8.880 2.026 436 2HB GLN 135 2HB GLN 135 4.865 7.556 2.459 437 1HG GLN 135 1HG GLN 135 6.609 9.070 3.091 438 2HG GLN 135 2HG GLN 135 5.766 10.443 2.373 439 1HE2 GLN 135 1HE2 GLN 135 5.118 10.495 6.059 440 2HE2 GLN 135 2HE2 GLN 135 6.509 10.581 5.091 441 H VAL 136 H VAL 136 3.742 6.642 1.355 442 HA VAL 136 HA VAL 136 4.400 4.971 -1.030 443 HB VAL 136 HB VAL 136 2.738 3.791 1.111 444 1HG1 VAL 136 1HG1 VAL 136 4.443 3.014 -1.028 445 2HG1 VAL 136 2HG1 VAL 136 5.142 2.372 0.461 446 3HG1 VAL 136 3HG1 VAL 136 3.480 1.973 0.022 447 1HG2 VAL 136 1HG2 VAL 136 4.493 5.255 2.309 448 2HG2 VAL 136 2HG2 VAL 136 4.474 3.544 2.731 449 3HG2 VAL 136 3HG2 VAL 136 5.699 4.167 1.624 450 H ASN 137 H ASN 137 2.962 6.020 -2.473 451 HA ASN 137 HA ASN 137 0.217 6.505 -1.723 452 1HB ASN 137 1HB ASN 137 -0.088 6.868 -4.206 453 2HB ASN 137 2HB ASN 137 1.110 7.894 -3.422 454 1HD2 ASN 137 1HD2 ASN 137 2.275 5.337 -6.338 455 2HD2 ASN 137 2HD2 ASN 137 0.646 5.491 -5.887 456 H TYR 138 H TYR 138 -1.644 5.412 -2.534 457 HA TYR 138 HA TYR 138 -1.764 2.662 -2.229 458 1HB TYR 138 1HB TYR 138 -3.381 4.523 -3.969 459 2HB TYR 138 2HB TYR 138 -3.754 2.806 -3.870 460 HD1 TYR 138 HD1 TYR 138 -2.437 4.844 -1.040 461 HD2 TYR 138 HD2 TYR 138 -5.862 2.973 -2.818 462 HE1 TYR 138 HE1 TYR 138 -3.721 5.249 1.029 463 HE2 TYR 138 HE2 TYR 138 -7.162 3.389 -0.744 464 HH TYR 138 HH TYR 138 -5.618 4.772 2.127 465 H GLU 139 H GLU 139 -1.253 4.431 -5.264 466 HA GLU 139 HA GLU 139 -1.231 2.234 -7.002 467 1HB GLU 139 1HB GLU 139 0.708 4.481 -7.458 468 2HB GLU 139 2HB GLU 139 -0.336 3.658 -8.617 469 1HG GLU 139 1HG GLU 139 -2.266 4.691 -7.131 470 2HG GLU 139 2HG GLU 139 -1.007 5.842 -6.678 471 H GLU 140 H GLU 140 1.446 3.589 -5.089 472 HA GLU 140 HA GLU 140 3.265 1.495 -6.113 473 1HB GLU 140 1HB GLU 140 3.620 3.872 -4.281 474 2HB GLU 140 2HB GLU 140 4.883 2.655 -4.479 475 1HG GLU 140 1HG GLU 140 4.095 3.227 -7.090 476 2HG GLU 140 2HG GLU 140 4.084 4.800 -6.291 477 H PHE 141 H PHE 141 0.952 1.772 -3.739 478 HA PHE 141 HA PHE 141 2.320 0.191 -1.683 479 1HB PHE 141 1HB PHE 141 0.726 1.810 -0.898 480 2HB PHE 141 2HB PHE 141 -0.506 1.227 -2.018 481 HD1 PHE 141 HD1 PHE 141 1.836 -0.818 0.016 482 HD2 PHE 141 HD2 PHE 141 -2.215 0.498 -0.527 483 HE1 PHE 141 HE1 PHE 141 1.074 -2.456 1.709 484 HE2 PHE 141 HE2 PHE 141 -2.976 -1.138 1.174 485 HZ PHE 141 HZ PHE 141 -1.327 -2.612 2.300 486 H VAL 142 H VAL 142 0.117 -0.252 -4.360 487 HA VAL 142 HA VAL 142 -0.805 -2.886 -3.717 488 HB VAL 142 HB VAL 142 -2.003 -1.682 -5.390 489 1HG1 VAL 142 1HG1 VAL 142 0.740 -1.186 -6.493 490 2HG1 VAL 142 2HG1 VAL 142 -0.644 -1.138 -7.584 491 3HG1 VAL 142 3HG1 VAL 142 -0.571 -0.041 -6.203 492 1HG2 VAL 142 1HG2 VAL 142 -1.503 -4.167 -5.830 493 2HG2 VAL 142 2HG2 VAL 142 -2.044 -3.215 -7.212 494 3HG2 VAL 142 3HG2 VAL 142 -0.334 -3.602 -7.024 495 H GLN 143 H GLN 143 2.246 -1.697 -4.706 496 HA GLN 143 HA GLN 143 3.144 -4.083 -6.108 497 1HB GLN 143 1HB GLN 143 4.182 -1.861 -6.477 498 2HB GLN 143 2HB GLN 143 4.759 -1.866 -4.810 499 1HG GLN 143 1HG GLN 143 6.431 -3.347 -5.258 500 2HG GLN 143 2HG GLN 143 5.430 -4.289 -6.365 501 1HE2 GLN 143 1HE2 GLN 143 6.985 -0.865 -8.027 502 2HE2 GLN 143 2HE2 GLN 143 6.242 -0.787 -6.503 503 H MET 144 H MET 144 2.895 -3.114 -2.780 504 HA MET 144 HA MET 144 4.867 -5.046 -1.810 505 1HB MET 144 1HB MET 144 2.688 -3.874 -0.096 506 2HB MET 144 2HB MET 144 4.340 -4.293 0.349 507 1HG MET 144 1HG MET 144 4.205 -2.261 -1.760 508 2HG MET 144 2HG MET 144 3.443 -1.752 -0.253 509 1HE MET 144 1HE MET 144 6.101 -2.806 -2.253 510 2HE MET 144 2HE MET 144 7.315 -1.636 -1.744 511 3HE MET 144 3HE MET 144 7.456 -3.318 -1.237 512 H MET 145 H MET 145 1.336 -4.857 -2.072 513 HA MET 145 HA MET 145 0.896 -7.413 -0.784 514 1HB MET 145 1HB MET 145 -1.422 -7.163 -1.677 515 2HB MET 145 2HB MET 145 -0.870 -5.735 -0.803 516 1HG MET 145 1HG MET 145 -0.879 -4.433 -2.672 517 2HG MET 145 2HG MET 145 -0.232 -5.725 -3.685 518 1HE MET 145 1HE MET 145 -3.086 -5.087 -1.331 519 2HE MET 145 2HE MET 145 -4.533 -5.708 -2.121 520 3HE MET 145 3HE MET 145 -3.319 -6.831 -1.515 521 H THR 146 H THR 146 1.862 -6.471 -3.950 522 HA THR 146 HA THR 146 1.707 -9.307 -4.794 523 HB THR 146 HB THR 146 -0.350 -8.420 -5.704 524 HG1 THR 146 HG1 THR 146 1.285 -8.146 -7.930 525 1HG2 THR 146 1HG2 THR 146 1.411 -6.094 -6.371 526 2HG2 THR 146 2HG2 THR 146 0.029 -6.431 -7.413 527 3HG2 THR 146 3HG2 THR 146 -0.218 -6.108 -5.697 528 H ALA 147 H ALA 147 3.915 -7.560 -4.042 529 HA ALA 147 HA ALA 147 5.286 -6.419 -6.233 530 1HB ALA 147 1HB ALA 147 5.855 -6.876 -3.557 531 2HB ALA 147 2HB ALA 147 7.048 -7.870 -4.394 532 3HB ALA 147 3HB ALA 147 6.952 -6.141 -4.725 533 H LYS 148 H LYS 148 4.805 -9.771 -5.359 534 HA LYS 148 HA LYS 148 6.791 -10.659 -7.377 535 1HB LYS 148 1HB LYS 148 5.106 -12.133 -5.338 536 2HB LYS 148 2HB LYS 148 6.086 -12.963 -6.548 537 1HG LYS 148 1HG LYS 148 8.027 -12.496 -5.469 538 2HG LYS 148 2HG LYS 148 7.527 -10.844 -5.101 539 1HD LYS 148 1HD LYS 148 6.076 -12.997 -3.658 540 2HD LYS 148 2HD LYS 148 7.765 -12.761 -3.205 541 1HE LYS 148 1HE LYS 148 7.147 -10.987 -1.967 542 2HE LYS 148 2HE LYS 148 6.632 -10.176 -3.447 543 1HZ LYS 148 1HZ LYS 148 4.529 -11.604 -3.169 544 2HZ LYS 148 2HZ LYS 148 5.032 -11.774 -1.559 545 3HZ LYS 148 3HZ LYS 148 4.716 -10.228 -2.189 No H/Q in entry = 545 Start of MODEL 4 Raw file had 555 H/Q atoms Start of MODEL 4 1 1H MET 76 1H MET 76 -10.813 -0.517 -18.716 2 2H MET 76 2H MET 76 -10.878 0.177 -20.266 3 3H MET 76 3H MET 76 -11.113 -1.494 -20.069 4 HA MET 76 HA MET 76 -8.933 -1.948 -19.955 5 1HB MET 76 1HB MET 76 -9.327 0.605 -21.413 6 2HB MET 76 2HB MET 76 -7.659 0.215 -20.994 7 1HG MET 76 1HG MET 76 -9.454 -1.853 -22.253 8 2HG MET 76 2HG MET 76 -8.591 -0.679 -23.248 9 1HE MET 76 1HE MET 76 -6.196 -0.256 -23.257 10 2HE MET 76 2HE MET 76 -5.086 -1.619 -23.358 11 3HE MET 76 3HE MET 76 -6.503 -1.567 -24.403 12 H LYS 77 H LYS 77 -9.728 1.135 -18.447 13 HA LYS 77 HA LYS 77 -7.737 0.575 -16.346 14 1HB LYS 77 1HB LYS 77 -6.741 2.015 -18.327 15 2HB LYS 77 2HB LYS 77 -7.647 3.318 -17.557 16 1HG LYS 77 1HG LYS 77 -6.493 2.287 -15.366 17 2HG LYS 77 2HG LYS 77 -5.283 1.805 -16.556 18 1HD LYS 77 1HD LYS 77 -6.075 4.512 -17.091 19 2HD LYS 77 2HD LYS 77 -5.641 4.371 -15.386 20 1HE LYS 77 1HE LYS 77 -3.458 4.260 -15.912 21 2HE LYS 77 2HE LYS 77 -3.755 2.883 -16.973 22 1HZ LYS 77 1HZ LYS 77 -4.665 5.345 -18.104 23 2HZ LYS 77 2HZ LYS 77 -3.002 5.387 -17.753 24 3HZ LYS 77 3HZ LYS 77 -3.630 4.172 -18.762 25 H ASP 78 H ASP 78 -10.045 0.343 -15.444 26 HA ASP 78 HA ASP 78 -10.962 3.023 -14.481 27 1HB ASP 78 1HB ASP 78 -13.267 2.008 -14.379 28 2HB ASP 78 2HB ASP 78 -12.638 2.190 -16.017 29 H THR 79 H THR 79 -9.042 1.312 -13.184 30 HA THR 79 HA THR 79 -8.617 0.439 -11.048 31 HB THR 79 HB THR 79 -11.327 1.373 -10.152 32 HG1 THR 79 HG1 THR 79 -10.469 3.475 -10.048 33 1HG2 THR 79 1HG2 THR 79 -8.541 1.499 -8.962 34 2HG2 THR 79 2HG2 THR 79 -10.019 2.033 -8.162 35 3HG2 THR 79 3HG2 THR 79 -9.790 0.326 -8.542 36 H ASP 80 H ASP 80 -8.761 -1.767 -11.708 37 HA ASP 80 HA ASP 80 -11.261 -3.109 -10.793 38 1HB ASP 80 1HB ASP 80 -10.291 -2.964 -13.508 39 2HB ASP 80 2HB ASP 80 -10.242 -4.637 -12.947 40 H SER 81 H SER 81 -8.161 -2.726 -10.144 41 HA SER 81 HA SER 81 -7.764 -5.611 -9.453 42 1HB SER 81 1HB SER 81 -6.204 -4.278 -11.241 43 2HB SER 81 2HB SER 81 -5.352 -3.912 -9.744 44 HG SER 81 HG SER 81 -5.815 -6.364 -11.011 45 H GLU 82 H GLU 82 -6.982 -2.235 -8.571 46 HA GLU 82 HA GLU 82 -6.018 -3.004 -5.942 47 1HB GLU 82 1HB GLU 82 -7.036 -0.250 -6.645 48 2HB GLU 82 2HB GLU 82 -5.757 -0.696 -5.513 49 1HG GLU 82 1HG GLU 82 -4.379 -0.143 -7.242 50 2HG GLU 82 2HG GLU 82 -4.771 -1.765 -7.814 51 H GLU 83 H GLU 83 -9.065 -3.106 -7.247 52 HA GLU 83 HA GLU 83 -10.833 -1.950 -5.449 53 1HB GLU 83 1HB GLU 83 -12.402 -3.678 -5.991 54 2HB GLU 83 2HB GLU 83 -11.407 -3.448 -7.430 55 1HG GLU 83 1HG GLU 83 -10.020 -5.344 -6.831 56 2HG GLU 83 2HG GLU 83 -10.884 -5.534 -5.308 57 H GLU 84 H GLU 84 -8.614 -4.570 -4.933 58 HA GLU 84 HA GLU 84 -9.741 -5.190 -2.271 59 1HB GLU 84 1HB GLU 84 -8.266 -7.050 -2.255 60 2HB GLU 84 2HB GLU 84 -8.771 -6.921 -3.941 61 1HG GLU 84 1HG GLU 84 -6.710 -5.615 -4.432 62 2HG GLU 84 2HG GLU 84 -6.191 -5.846 -2.762 63 H ILE 85 H ILE 85 -6.934 -3.671 -3.777 64 HA ILE 85 HA ILE 85 -5.485 -3.201 -1.320 65 HB ILE 85 HB ILE 85 -5.337 -2.068 -4.116 66 1HG1 ILE 85 1HG1 ILE 85 -2.895 -3.152 -3.303 67 2HG1 ILE 85 2HG1 ILE 85 -4.100 -4.227 -2.594 68 1HG2 ILE 85 1HG2 ILE 85 -4.370 -0.851 -1.677 69 2HG2 ILE 85 2HG2 ILE 85 -3.014 -1.331 -2.698 70 3HG2 ILE 85 3HG2 ILE 85 -4.259 -0.255 -3.333 71 1HD1 ILE 85 1HD1 ILE 85 -4.164 -3.361 -5.493 72 2HD1 ILE 85 2HD1 ILE 85 -3.379 -4.842 -4.946 73 3HD1 ILE 85 3HD1 ILE 85 -5.118 -4.634 -4.733 74 H ARG 86 H ARG 86 -6.975 -0.768 -3.482 75 HA ARG 86 HA ARG 86 -7.043 1.472 -2.015 76 1HB ARG 86 1HB ARG 86 -8.434 0.620 -4.177 77 2HB ARG 86 2HB ARG 86 -9.741 0.739 -2.997 78 1HG ARG 86 1HG ARG 86 -7.738 2.945 -3.377 79 2HG ARG 86 2HG ARG 86 -9.198 2.849 -4.355 80 1HD ARG 86 1HD ARG 86 -10.093 2.449 -1.737 81 2HD ARG 86 2HD ARG 86 -8.890 3.730 -1.592 82 HE ARG 86 HE ARG 86 -11.288 3.881 -3.373 83 1HH1 ARG 86 1HH1 ARG 86 -10.551 5.985 -4.542 84 2HH1 ARG 86 2HH1 ARG 86 -10.293 7.296 -3.440 85 1HH2 ARG 86 1HH2 ARG 86 -10.172 5.262 -0.634 86 2HH2 ARG 86 2HH2 ARG 86 -10.078 6.887 -1.227 87 H GLU 87 H GLU 87 -9.457 -1.136 -1.481 88 HA GLU 87 HA GLU 87 -10.669 0.184 0.766 89 1HB GLU 87 1HB GLU 87 -11.866 -1.575 -0.415 90 2HB GLU 87 2HB GLU 87 -10.594 -2.739 -0.043 91 1HG GLU 87 1HG GLU 87 -12.126 -3.230 1.628 92 2HG GLU 87 2HG GLU 87 -11.116 -2.041 2.449 93 H ALA 88 H ALA 88 -8.181 -2.349 0.501 94 HA ALA 88 HA ALA 88 -7.724 -2.324 3.408 95 1HB ALA 88 1HB ALA 88 -6.614 -3.846 1.063 96 2HB ALA 88 2HB ALA 88 -5.750 -3.858 2.598 97 3HB ALA 88 3HB ALA 88 -7.403 -4.465 2.512 98 H PHE 89 H PHE 89 -7.297 0.169 2.905 99 HA PHE 89 HA PHE 89 -4.666 0.858 3.578 100 1HB PHE 89 1HB PHE 89 -4.495 -0.065 1.029 101 2HB PHE 89 2HB PHE 89 -4.936 1.602 0.697 102 HD1 PHE 89 HD1 PHE 89 -2.806 0.125 3.423 103 HD2 PHE 89 HD2 PHE 89 -3.003 2.724 0.014 104 HE1 PHE 89 HE1 PHE 89 -0.462 0.841 3.823 105 HE2 PHE 89 HE2 PHE 89 -0.676 3.431 0.405 106 HZ PHE 89 HZ PHE 89 0.609 2.479 2.303 107 H ARG 90 H ARG 90 -7.666 1.605 1.978 108 HA ARG 90 HA ARG 90 -7.465 4.436 1.920 109 1HB ARG 90 1HB ARG 90 -9.910 4.397 1.759 110 2HB ARG 90 2HB ARG 90 -9.243 3.110 0.753 111 1HG ARG 90 1HG ARG 90 -10.171 1.482 2.019 112 2HG ARG 90 2HG ARG 90 -9.729 2.282 3.526 113 1HD ARG 90 1HD ARG 90 -12.122 2.286 3.449 114 2HD ARG 90 2HD ARG 90 -11.614 3.930 3.062 115 HE ARG 90 HE ARG 90 -12.105 2.099 0.785 116 1HH1 ARG 90 1HH1 ARG 90 -13.807 3.992 3.007 117 2HH1 ARG 90 2HH1 ARG 90 -14.660 4.918 1.817 118 1HH2 ARG 90 1HH2 ARG 90 -12.890 3.603 -0.859 119 2HH2 ARG 90 2HH2 ARG 90 -14.141 4.697 -0.373 120 H VAL 91 H VAL 91 -7.835 2.127 4.394 121 HA VAL 91 HA VAL 91 -9.252 3.343 6.406 122 HB VAL 91 HB VAL 91 -6.584 1.931 6.657 123 1HG1 VAL 91 1HG1 VAL 91 -8.604 2.893 8.632 124 2HG1 VAL 91 2HG1 VAL 91 -7.864 1.319 8.925 125 3HG1 VAL 91 3HG1 VAL 91 -6.852 2.758 8.788 126 1HG2 VAL 91 1HG2 VAL 91 -8.836 0.931 5.542 127 2HG2 VAL 91 2HG2 VAL 91 -7.721 -0.055 6.491 128 3HG2 VAL 91 3HG2 VAL 91 -9.178 0.597 7.241 129 H PHE 92 H PHE 92 -6.102 4.236 5.154 130 HA PHE 92 HA PHE 92 -5.866 6.333 7.250 131 1HB PHE 92 1HB PHE 92 -3.864 5.302 5.236 132 2HB PHE 92 2HB PHE 92 -3.543 6.542 6.447 133 HD1 PHE 92 HD1 PHE 92 -3.488 6.040 8.797 134 HD2 PHE 92 HD2 PHE 92 -4.198 2.954 5.894 135 HE1 PHE 92 HE1 PHE 92 -3.054 4.312 10.533 136 HE2 PHE 92 HE2 PHE 92 -3.763 1.225 7.625 137 HZ PHE 92 HZ PHE 92 -3.191 1.904 9.943 138 H ASP 93 H ASP 93 -5.847 5.900 3.710 139 HA ASP 93 HA ASP 93 -5.359 8.510 2.876 140 1HB ASP 93 1HB ASP 93 -5.683 6.761 1.245 141 2HB ASP 93 2HB ASP 93 -7.335 6.477 1.799 142 H LYS 94 H LYS 94 -6.162 9.920 4.482 143 HA LYS 94 HA LYS 94 -8.603 10.138 5.677 144 1HB LYS 94 1HB LYS 94 -7.082 12.447 4.439 145 2HB LYS 94 2HB LYS 94 -8.259 12.567 5.748 146 1HG LYS 94 1HG LYS 94 -6.201 10.554 6.277 147 2HG LYS 94 2HG LYS 94 -5.524 12.169 6.056 148 1HD LYS 94 1HD LYS 94 -7.863 11.580 7.890 149 2HD LYS 94 2HD LYS 94 -6.186 11.636 8.437 150 1HE LYS 94 1HE LYS 94 -6.217 13.976 7.173 151 2HE LYS 94 2HE LYS 94 -7.947 13.862 7.493 152 1HZ LYS 94 1HZ LYS 94 -7.458 13.515 9.832 153 2HZ LYS 94 2HZ LYS 94 -5.792 13.633 9.523 154 3HZ LYS 94 3HZ LYS 94 -6.792 14.982 9.291 155 H ASP 95 H ASP 95 -8.489 12.671 3.291 156 HA ASP 95 HA ASP 95 -11.202 11.898 2.436 157 1HB ASP 95 1HB ASP 95 -11.298 14.099 1.411 158 2HB ASP 95 2HB ASP 95 -10.632 14.268 3.036 159 H GLY 96 H GLY 96 -7.949 11.766 1.259 160 1HA GLY 96 1HA GLY 96 -8.336 10.000 -0.808 161 2HA GLY 96 2HA GLY 96 -8.704 11.555 -1.554 162 H ASN 97 H ASN 97 -6.235 10.634 0.865 163 HA ASN 97 HA ASN 97 -4.235 12.209 -0.584 164 1HB ASN 97 1HB ASN 97 -4.382 10.739 1.997 165 2HB ASN 97 2HB ASN 97 -2.783 10.866 1.263 166 1HD2 ASN 97 1HD2 ASN 97 -3.668 13.938 3.377 167 2HD2 ASN 97 2HD2 ASN 97 -3.858 12.283 3.704 168 H GLY 98 H GLY 98 -4.678 8.758 0.215 169 1HA GLY 98 1HA GLY 98 -4.189 6.914 -1.210 170 2HA GLY 98 2HA GLY 98 -3.408 8.027 -2.336 171 H TYR 99 H TYR 99 -1.446 9.212 -1.119 172 HA TYR 99 HA TYR 99 0.439 7.084 -0.479 173 1HB TYR 99 1HB TYR 99 2.092 8.715 -0.716 174 2HB TYR 99 2HB TYR 99 0.817 9.359 -1.749 175 HD1 TYR 99 HD1 TYR 99 2.252 9.545 1.685 176 HD2 TYR 99 HD2 TYR 99 -0.189 11.461 -1.284 177 HE1 TYR 99 HE1 TYR 99 2.173 11.593 3.076 178 HE2 TYR 99 HE2 TYR 99 -0.269 13.513 0.108 179 HH TYR 99 HH TYR 99 1.132 13.585 3.356 180 H ILE 100 H ILE 100 0.940 6.369 1.502 181 HA ILE 100 HA ILE 100 0.238 8.116 3.805 182 HB ILE 100 HB ILE 100 -0.102 5.609 4.839 183 1HG1 ILE 100 1HG1 ILE 100 -1.128 5.566 1.978 184 2HG1 ILE 100 2HG1 ILE 100 0.077 4.480 2.675 185 1HG2 ILE 100 1HG2 ILE 100 -1.631 7.909 4.224 186 2HG2 ILE 100 2HG2 ILE 100 -2.578 6.525 3.680 187 3HG2 ILE 100 3HG2 ILE 100 -2.046 6.626 5.356 188 1HD1 ILE 100 1HD1 ILE 100 -2.535 4.678 4.088 189 2HD1 ILE 100 2HD1 ILE 100 -2.520 3.834 2.546 190 3HD1 ILE 100 3HD1 ILE 100 -1.482 3.285 3.862 191 H SER 101 H SER 101 1.452 7.408 5.831 192 HA SER 101 HA SER 101 4.263 7.329 5.227 193 1HB SER 101 1HB SER 101 2.757 6.999 7.829 194 2HB SER 101 2HB SER 101 4.510 7.144 7.716 195 HG SER 101 HG SER 101 3.851 9.194 7.965 196 H ALA 102 H ALA 102 5.776 5.712 6.215 197 HA ALA 102 HA ALA 102 5.192 3.055 5.315 198 1HB ALA 102 1HB ALA 102 7.504 4.076 5.661 199 2HB ALA 102 2HB ALA 102 7.268 3.816 7.389 200 3HB ALA 102 3HB ALA 102 7.306 2.439 6.288 201 H ALA 103 H ALA 103 4.768 4.714 8.373 202 HA ALA 103 HA ALA 103 4.323 2.378 9.989 203 1HB ALA 103 1HB ALA 103 4.434 5.102 10.466 204 2HB ALA 103 2HB ALA 103 2.722 4.742 10.697 205 3HB ALA 103 3HB ALA 103 3.938 3.887 11.646 206 H GLU 104 H GLU 104 2.344 4.256 7.777 207 HA GLU 104 HA GLU 104 -0.216 3.230 8.530 208 1HB GLU 104 1HB GLU 104 0.948 4.640 6.215 209 2HB GLU 104 2HB GLU 104 -0.403 3.573 5.799 210 1HG GLU 104 1HG GLU 104 -1.750 5.249 6.498 211 2HG GLU 104 2HG GLU 104 -1.254 4.819 8.133 212 H LEU 105 H LEU 105 1.948 2.219 5.882 213 HA LEU 105 HA LEU 105 0.543 -0.091 5.085 214 1HB LEU 105 1HB LEU 105 2.996 1.145 4.500 215 2HB LEU 105 2HB LEU 105 3.394 -0.509 4.967 216 HG LEU 105 HG LEU 105 1.037 -0.534 3.331 217 1HD1 LEU 105 1HD1 LEU 105 2.711 1.601 2.651 218 2HD1 LEU 105 2HD1 LEU 105 3.143 0.322 1.517 219 3HD1 LEU 105 3HD1 LEU 105 1.470 0.875 1.630 220 1HD2 LEU 105 1HD2 LEU 105 3.887 -1.553 3.080 221 2HD2 LEU 105 2HD2 LEU 105 2.457 -2.462 3.556 222 3HD2 LEU 105 3HD2 LEU 105 2.646 -1.922 1.887 223 H ARG 106 H ARG 106 3.306 0.093 7.368 224 HA ARG 106 HA ARG 106 3.529 -2.543 8.138 225 1HB ARG 106 1HB ARG 106 4.983 -0.945 9.154 226 2HB ARG 106 2HB ARG 106 3.628 -0.045 9.837 227 1HG ARG 106 1HG ARG 106 3.968 -2.929 10.584 228 2HG ARG 106 2HG ARG 106 5.004 -1.722 11.348 229 1HD ARG 106 1HD ARG 106 2.456 -0.582 11.432 230 2HD ARG 106 2HD ARG 106 2.180 -2.284 11.808 231 HE ARG 106 HE ARG 106 4.375 -1.530 13.372 232 1HH1 ARG 106 1HH1 ARG 106 1.910 0.633 12.858 233 2HH1 ARG 106 2HH1 ARG 106 1.338 0.669 14.492 234 1HH2 ARG 106 1HH2 ARG 106 3.299 -2.001 15.517 235 2HH2 ARG 106 2HH2 ARG 106 2.125 -0.823 15.998 236 H HIS 107 H HIS 107 0.839 -0.434 8.789 237 HA HIS 107 HA HIS 107 -0.335 -2.425 10.657 238 1HB HIS 107 1HB HIS 107 -0.299 0.117 11.107 239 2HB HIS 107 2HB HIS 107 -1.566 0.219 9.885 240 HD1 HIS 107 HD1 HIS 107 -0.871 -1.116 13.330 241 HD2 HIS 107 HD2 HIS 107 -4.066 -0.874 10.667 242 HE1 HIS 107 HE1 HIS 107 -2.941 -1.771 14.635 243 H VAL 108 H VAL 108 -0.784 -1.058 7.445 244 HA VAL 108 HA VAL 108 -3.403 -2.336 7.091 245 HB VAL 108 HB VAL 108 -1.915 -1.449 4.687 246 1HG1 VAL 108 1HG1 VAL 108 -4.590 -1.810 5.588 247 2HG1 VAL 108 2HG1 VAL 108 -4.395 -0.095 5.230 248 3HG1 VAL 108 3HG1 VAL 108 -4.047 -1.298 3.991 249 1HG2 VAL 108 1HG2 VAL 108 -2.207 0.263 7.095 250 2HG2 VAL 108 2HG2 VAL 108 -1.108 0.425 5.727 251 3HG2 VAL 108 3HG2 VAL 108 -2.773 0.983 5.589 252 H MET 109 H MET 109 -0.246 -2.706 5.420 253 HA MET 109 HA MET 109 -0.900 -5.059 4.038 254 1HB MET 109 1HB MET 109 1.550 -3.659 4.820 255 2HB MET 109 2HB MET 109 1.769 -5.401 4.646 256 1HG MET 109 1HG MET 109 0.226 -4.859 2.464 257 2HG MET 109 2HG MET 109 1.155 -3.372 2.591 258 1HE MET 109 1HE MET 109 0.766 -6.809 2.361 259 2HE MET 109 2HE MET 109 1.760 -7.154 0.939 260 3HE MET 109 3HE MET 109 2.330 -7.598 2.543 261 H THR 110 H THR 110 -0.845 -4.740 7.402 262 HA THR 110 HA THR 110 0.001 -7.542 7.853 263 HB THR 110 HB THR 110 -0.293 -5.099 9.568 264 HG1 THR 110 HG1 THR 110 1.673 -7.097 9.690 265 1HG2 THR 110 1HG2 THR 110 -0.533 -7.958 10.469 266 2HG2 THR 110 2HG2 THR 110 0.193 -6.743 11.520 267 3HG2 THR 110 3HG2 THR 110 -1.473 -6.553 10.973 268 H ASN 111 H ASN 111 -2.878 -5.551 7.825 269 HA ASN 111 HA ASN 111 -4.450 -7.623 9.243 270 1HB ASN 111 1HB ASN 111 -5.456 -5.040 8.021 271 2HB ASN 111 2HB ASN 111 -6.249 -6.029 9.247 272 1HD2 ASN 111 1HD2 ASN 111 -4.332 -3.127 10.813 273 2HD2 ASN 111 2HD2 ASN 111 -5.426 -3.179 9.516 274 H LEU 112 H LEU 112 -5.214 -5.746 6.314 275 HA LEU 112 HA LEU 112 -7.001 -7.392 5.084 276 1HB LEU 112 1HB LEU 112 -5.810 -6.724 2.837 277 2HB LEU 112 2HB LEU 112 -6.586 -5.493 3.819 278 HG LEU 112 HG LEU 112 -4.111 -5.166 2.859 279 1HD1 LEU 112 1HD1 LEU 112 -5.630 -3.738 4.442 280 2HD1 LEU 112 2HD1 LEU 112 -4.518 -4.281 5.688 281 3HD1 LEU 112 3HD1 LEU 112 -3.908 -3.392 4.305 282 1HD2 LEU 112 1HD2 LEU 112 -3.422 -7.301 4.148 283 2HD2 LEU 112 2HD2 LEU 112 -2.381 -5.899 4.242 284 3HD2 LEU 112 3HD2 LEU 112 -3.443 -6.282 5.579 285 H GLY 113 H GLY 113 -6.704 -8.898 3.186 286 1HA GLY 113 1HA GLY 113 -5.802 -11.360 3.707 287 2HA GLY 113 2HA GLY 113 -5.587 -10.704 2.087 288 H GLU 114 H GLU 114 -3.558 -8.796 2.611 289 HA GLU 114 HA GLU 114 -1.211 -10.248 2.329 290 1HB GLU 114 1HB GLU 114 -1.581 -7.575 3.707 291 2HB GLU 114 2HB GLU 114 -0.016 -8.236 3.242 292 1HG GLU 114 1HG GLU 114 -2.317 -7.701 1.341 293 2HG GLU 114 2HG GLU 114 -0.890 -6.681 1.519 294 H LYS 115 H LYS 115 -1.476 -8.476 5.388 295 HA LYS 115 HA LYS 115 -0.903 -9.140 7.561 296 1HB LYS 115 1HB LYS 115 -2.958 -10.515 7.220 297 2HB LYS 115 2HB LYS 115 -1.942 -11.826 6.620 298 1HG LYS 115 1HG LYS 115 -0.791 -11.987 8.749 299 2HG LYS 115 2HG LYS 115 -1.628 -10.557 9.355 300 1HD LYS 115 1HD LYS 115 -3.120 -13.017 8.428 301 2HD LYS 115 2HD LYS 115 -2.577 -12.819 10.096 302 1HE LYS 115 1HE LYS 115 -4.313 -11.461 10.544 303 2HE LYS 115 2HE LYS 115 -3.864 -10.398 9.210 304 1HZ LYS 115 1HZ LYS 115 -5.376 -12.928 8.867 305 2HZ LYS 115 2HZ LYS 115 -6.108 -11.404 9.010 306 3HZ LYS 115 3HZ LYS 115 -5.086 -11.734 7.693 307 H LEU 116 H LEU 116 1.347 -8.986 7.495 308 HA LEU 116 HA LEU 116 2.774 -11.579 7.241 309 1HB LEU 116 1HB LEU 116 4.642 -10.312 6.050 310 2HB LEU 116 2HB LEU 116 3.186 -10.586 5.096 311 HG LEU 116 HG LEU 116 3.341 -8.067 6.712 312 1HD1 LEU 116 1HD1 LEU 116 5.090 -8.781 4.399 313 2HD1 LEU 116 2HD1 LEU 116 4.381 -7.166 4.418 314 3HD1 LEU 116 3HD1 LEU 116 5.404 -7.696 5.754 315 1HD2 LEU 116 1HD2 LEU 116 2.298 -8.780 3.949 316 2HD2 LEU 116 2HD2 LEU 116 1.324 -8.671 5.413 317 3HD2 LEU 116 3HD2 LEU 116 2.085 -7.224 4.753 318 H THR 117 H THR 117 4.995 -9.085 7.408 319 HA THR 117 HA THR 117 4.844 -8.992 10.385 320 HB THR 117 HB THR 117 7.508 -8.867 9.038 321 HG1 THR 117 HG1 THR 117 7.301 -11.330 9.480 322 1HG2 THR 117 1HG2 THR 117 6.613 -8.899 11.642 323 2HG2 THR 117 2HG2 THR 117 7.055 -10.585 11.381 324 3HG2 THR 117 3HG2 THR 117 8.251 -9.314 11.136 325 H ASP 118 H ASP 118 6.105 -7.042 11.231 326 HA ASP 118 HA ASP 118 5.410 -4.725 9.553 327 1HB ASP 118 1HB ASP 118 6.712 -4.733 12.290 328 2HB ASP 118 2HB ASP 118 5.859 -3.397 11.516 329 H GLU 119 H GLU 119 8.161 -6.664 10.126 330 HA GLU 119 HA GLU 119 10.062 -4.488 9.520 331 1HB GLU 119 1HB GLU 119 11.753 -6.385 9.613 332 2HB GLU 119 2HB GLU 119 10.862 -6.105 11.109 333 1HG GLU 119 1HG GLU 119 9.567 -8.024 10.858 334 2HG GLU 119 2HG GLU 119 9.774 -8.058 9.107 335 H GLU 120 H GLU 120 8.512 -7.214 7.920 336 HA GLU 120 HA GLU 120 10.200 -6.983 5.537 337 1HB GLU 120 1HB GLU 120 7.518 -8.345 5.562 338 2HB GLU 120 2HB GLU 120 8.981 -8.789 4.681 339 1HG GLU 120 1HG GLU 120 9.691 -8.860 7.406 340 2HG GLU 120 2HG GLU 120 8.113 -9.643 7.304 341 H VAL 121 H VAL 121 7.051 -5.843 6.628 342 HA VAL 121 HA VAL 121 6.348 -4.727 4.020 343 HB VAL 121 HB VAL 121 4.570 -5.448 5.545 344 1HG1 VAL 121 1HG1 VAL 121 6.081 -4.606 7.579 345 2HG1 VAL 121 2HG1 VAL 121 5.075 -3.171 7.392 346 3HG1 VAL 121 3HG1 VAL 121 4.327 -4.739 7.714 347 1HG2 VAL 121 1HG2 VAL 121 4.710 -2.453 5.131 348 2HG2 VAL 121 2HG2 VAL 121 4.021 -3.641 4.024 349 3HG2 VAL 121 3HG2 VAL 121 3.243 -3.327 5.575 350 H ASP 122 H ASP 122 7.528 -3.462 7.129 351 HA ASP 122 HA ASP 122 7.485 -0.702 6.355 352 1HB ASP 122 1HB ASP 122 7.739 -1.619 8.713 353 2HB ASP 122 2HB ASP 122 9.420 -1.968 8.309 354 H GLU 123 H GLU 123 10.152 -3.094 6.320 355 HA GLU 123 HA GLU 123 12.063 -1.286 5.173 356 1HB GLU 123 1HB GLU 123 11.911 -4.143 5.791 357 2HB GLU 123 2HB GLU 123 12.842 -3.809 4.331 358 1HG GLU 123 1HG GLU 123 14.485 -3.572 5.962 359 2HG GLU 123 2HG GLU 123 13.915 -1.909 5.815 360 H MET 124 H MET 124 9.780 -3.601 3.737 361 HA MET 124 HA MET 124 10.701 -3.235 1.031 362 1HB MET 124 1HB MET 124 9.195 -5.109 1.992 363 2HB MET 124 2HB MET 124 7.871 -3.960 1.793 364 1HG MET 124 1HG MET 124 7.743 -4.591 -0.363 365 2HG MET 124 2HG MET 124 9.321 -3.847 -0.614 366 1HE MET 124 1HE MET 124 11.423 -4.789 -0.273 367 2HE MET 124 2HE MET 124 11.332 -5.811 1.160 368 3HE MET 124 3HE MET 124 11.882 -6.495 -0.368 369 H ILE 125 H ILE 125 8.937 -1.239 3.165 370 HA ILE 125 HA ILE 125 7.258 0.130 1.273 371 HB ILE 125 HB ILE 125 7.663 0.199 4.028 372 1HG1 ILE 125 1HG1 ILE 125 6.035 2.373 3.529 373 2HG1 ILE 125 2HG1 ILE 125 5.909 1.437 2.039 374 1HG2 ILE 125 1HG2 ILE 125 9.515 1.853 3.680 375 2HG2 ILE 125 2HG2 ILE 125 8.344 2.944 2.937 376 3HG2 ILE 125 3HG2 ILE 125 8.175 2.491 4.633 377 1HD1 ILE 125 1HD1 ILE 125 5.804 -0.506 4.001 378 2HD1 ILE 125 2HD1 ILE 125 4.892 0.826 4.711 379 3HD1 ILE 125 3HD1 ILE 125 4.420 0.170 3.148 380 H ARG 126 H ARG 126 10.654 0.444 2.136 381 HA ARG 126 HA ARG 126 11.214 3.016 1.138 382 1HB ARG 126 1HB ARG 126 12.991 0.619 0.644 383 2HB ARG 126 2HB ARG 126 13.478 2.294 0.907 384 1HG ARG 126 1HG ARG 126 11.878 1.458 3.132 385 2HG ARG 126 2HG ARG 126 13.132 0.248 2.861 386 1HD ARG 126 1HD ARG 126 14.874 1.817 3.124 387 2HD ARG 126 2HD ARG 126 13.794 3.189 2.869 388 HE ARG 126 HE ARG 126 13.244 1.544 5.256 389 1HH1 ARG 126 1HH1 ARG 126 12.925 4.599 4.246 390 2HH1 ARG 126 2HH1 ARG 126 13.788 5.368 5.534 391 1HH2 ARG 126 1HH2 ARG 126 15.127 2.412 6.756 392 2HH2 ARG 126 2HH2 ARG 126 15.035 4.130 6.957 393 H GLU 127 H GLU 127 10.174 0.192 -0.525 394 HA GLU 127 HA GLU 127 11.146 1.014 -3.160 395 1HB GLU 127 1HB GLU 127 10.903 -1.359 -2.649 396 2HB GLU 127 2HB GLU 127 9.192 -1.127 -2.270 397 1HG GLU 127 1HG GLU 127 8.831 -1.667 -4.446 398 2HG GLU 127 2HG GLU 127 9.390 -0.032 -4.795 399 H ALA 128 H ALA 128 8.020 0.977 -1.442 400 HA ALA 128 HA ALA 128 6.765 2.382 -3.740 401 1HB ALA 128 1HB ALA 128 5.755 0.887 -1.340 402 2HB ALA 128 2HB ALA 128 4.699 2.061 -2.131 403 3HB ALA 128 3HB ALA 128 5.327 0.686 -3.042 404 H ASP 129 H ASP 129 8.504 3.350 -1.152 405 HA ASP 129 HA ASP 129 6.698 5.528 -0.302 406 1HB ASP 129 1HB ASP 129 8.382 4.120 1.177 407 2HB ASP 129 2HB ASP 129 9.541 5.325 0.612 408 H ILE 130 H ILE 130 9.712 5.063 -2.091 409 HA ILE 130 HA ILE 130 10.425 7.800 -2.377 410 HB ILE 130 HB ILE 130 11.813 7.077 -4.230 411 1HG1 ILE 130 1HG1 ILE 130 10.061 4.600 -4.186 412 2HG1 ILE 130 2HG1 ILE 130 10.184 5.781 -5.488 413 1HG2 ILE 130 1HG2 ILE 130 11.648 5.650 -1.705 414 2HG2 ILE 130 2HG2 ILE 130 12.324 4.622 -2.969 415 3HG2 ILE 130 3HG2 ILE 130 13.077 6.172 -2.597 416 1HD1 ILE 130 1HD1 ILE 130 12.700 4.449 -4.579 417 2HD1 ILE 130 2HD1 ILE 130 11.573 3.509 -5.556 418 3HD1 ILE 130 3HD1 ILE 130 12.246 5.012 -6.186 419 H ASP 131 H ASP 131 10.449 7.609 -5.446 420 HA ASP 131 HA ASP 131 9.009 8.123 -7.250 421 1HB ASP 131 1HB ASP 131 7.301 6.711 -5.727 422 2HB ASP 131 2HB ASP 131 6.592 8.311 -5.511 423 H GLY 132 H GLY 132 10.119 9.844 -4.929 424 1HA GLY 132 1HA GLY 132 10.390 12.214 -4.874 425 2HA GLY 132 2HA GLY 132 9.018 12.372 -5.973 426 H ASP 133 H ASP 133 7.147 13.087 -5.078 427 HA ASP 133 HA ASP 133 6.993 13.350 -2.148 428 1HB ASP 133 1HB ASP 133 5.444 14.415 -4.484 429 2HB ASP 133 2HB ASP 133 4.680 14.395 -2.894 430 H GLY 134 H GLY 134 4.463 12.999 -1.433 431 1HA GLY 134 1HA GLY 134 2.900 11.355 -0.845 432 2HA GLY 134 2HA GLY 134 2.993 10.836 -2.528 433 H GLN 135 H GLN 135 3.929 10.108 0.707 434 HA GLN 135 HA GLN 135 6.161 8.463 0.458 435 1HB GLN 135 1HB GLN 135 3.659 7.962 2.100 436 2HB GLN 135 2HB GLN 135 5.192 7.120 2.331 437 1HG GLN 135 1HG GLN 135 4.944 10.135 2.427 438 2HG GLN 135 2HG GLN 135 4.814 9.116 3.861 439 1HE2 GLN 135 1HE2 GLN 135 8.299 8.862 4.198 440 2HE2 GLN 135 2HE2 GLN 135 6.766 8.779 4.923 441 H VAL 136 H VAL 136 3.305 6.504 0.990 442 HA VAL 136 HA VAL 136 3.887 5.139 -1.609 443 HB VAL 136 HB VAL 136 4.639 3.535 -0.130 444 1HG1 VAL 136 1HG1 VAL 136 4.040 5.009 1.853 445 2HG1 VAL 136 2HG1 VAL 136 2.455 4.234 1.847 446 3HG1 VAL 136 3HG1 VAL 136 3.905 3.275 2.141 447 1HG2 VAL 136 1HG2 VAL 136 2.314 2.916 -1.330 448 2HG2 VAL 136 2HG2 VAL 136 3.154 1.783 -0.271 449 3HG2 VAL 136 3HG2 VAL 136 1.807 2.738 0.350 450 H ASN 137 H ASN 137 2.199 6.042 -2.780 451 HA ASN 137 HA ASN 137 -0.492 6.197 -1.694 452 1HB ASN 137 1HB ASN 137 -1.053 6.644 -4.162 453 2HB ASN 137 2HB ASN 137 -0.014 7.812 -3.348 454 1HD2 ASN 137 1HD2 ASN 137 1.609 5.338 -6.205 455 2HD2 ASN 137 2HD2 ASN 137 0.110 4.954 -5.507 456 H TYR 138 H TYR 138 -2.051 5.155 -3.785 457 HA TYR 138 HA TYR 138 -1.919 2.323 -3.106 458 1HB TYR 138 1HB TYR 138 -3.659 3.754 -5.132 459 2HB TYR 138 2HB TYR 138 -3.904 2.121 -4.521 460 HD1 TYR 138 HD1 TYR 138 -2.614 3.680 -1.765 461 HD2 TYR 138 HD2 TYR 138 -6.133 3.751 -4.213 462 HE1 TYR 138 HE1 TYR 138 -3.913 4.574 0.143 463 HE2 TYR 138 HE2 TYR 138 -7.443 4.648 -2.310 464 HH TYR 138 HH TYR 138 -6.009 4.965 0.910 465 H GLU 139 H GLU 139 -1.564 4.211 -6.092 466 HA GLU 139 HA GLU 139 -1.081 2.174 -7.886 467 1HB GLU 139 1HB GLU 139 0.736 4.578 -7.898 468 2HB GLU 139 2HB GLU 139 0.010 3.739 -9.268 469 1HG GLU 139 1HG GLU 139 -2.240 4.516 -8.010 470 2HG GLU 139 2HG GLU 139 -1.160 5.805 -7.474 471 H GLU 140 H GLU 140 1.014 3.348 -5.332 472 HA GLU 140 HA GLU 140 3.177 1.504 -6.203 473 1HB GLU 140 1HB GLU 140 3.064 4.019 -4.705 474 2HB GLU 140 2HB GLU 140 4.057 2.796 -3.912 475 1HG GLU 140 1HG GLU 140 5.698 3.089 -5.423 476 2HG GLU 140 2HG GLU 140 4.578 2.767 -6.747 477 H PHE 141 H PHE 141 0.708 1.937 -3.816 478 HA PHE 141 HA PHE 141 1.719 0.245 -1.742 479 1HB PHE 141 1HB PHE 141 -0.234 1.778 -1.485 480 2HB PHE 141 2HB PHE 141 -1.173 0.716 -2.533 481 HD1 PHE 141 HD1 PHE 141 1.344 -0.312 0.002 482 HD2 PHE 141 HD2 PHE 141 -2.817 -0.095 -1.010 483 HE1 PHE 141 HE1 PHE 141 0.786 -1.729 1.938 484 HE2 PHE 141 HE2 PHE 141 -3.364 -1.533 0.937 485 HZ PHE 141 HZ PHE 141 -1.551 -2.334 2.428 486 H VAL 142 H VAL 142 -0.228 -0.445 -4.629 487 HA VAL 142 HA VAL 142 -0.769 -3.176 -4.096 488 HB VAL 142 HB VAL 142 -1.954 -2.185 -5.896 489 1HG1 VAL 142 1HG1 VAL 142 0.778 -1.266 -6.765 490 2HG1 VAL 142 2HG1 VAL 142 -0.546 -1.345 -7.927 491 3HG1 VAL 142 3HG1 VAL 142 -0.681 -0.309 -6.507 492 1HG2 VAL 142 1HG2 VAL 142 -1.115 -4.533 -6.314 493 2HG2 VAL 142 2HG2 VAL 142 -1.467 -3.619 -7.781 494 3HG2 VAL 142 3HG2 VAL 142 0.203 -3.829 -7.251 495 H GLN 143 H GLN 143 2.171 -1.562 -4.806 496 HA GLN 143 HA GLN 143 3.556 -3.737 -6.107 497 1HB GLN 143 1HB GLN 143 4.446 -1.493 -6.297 498 2HB GLN 143 2HB GLN 143 4.571 -1.347 -4.545 499 1HG GLN 143 1HG GLN 143 6.361 -2.858 -4.414 500 2HG GLN 143 2HG GLN 143 5.992 -3.575 -5.983 501 1HE2 GLN 143 1HE2 GLN 143 7.445 0.230 -6.377 502 2HE2 GLN 143 2HE2 GLN 143 6.081 -0.063 -5.412 503 H MET 144 H MET 144 3.032 -2.813 -2.737 504 HA MET 144 HA MET 144 4.942 -4.701 -1.650 505 1HB MET 144 1HB MET 144 2.487 -3.744 -0.177 506 2HB MET 144 2HB MET 144 4.078 -4.133 0.475 507 1HG MET 144 1HG MET 144 4.164 -1.998 -1.529 508 2HG MET 144 2HG MET 144 3.168 -1.591 -0.129 509 1HE MET 144 1HE MET 144 6.009 -1.613 -1.829 510 2HE MET 144 2HE MET 144 7.037 -0.638 -0.782 511 3HE MET 144 3HE MET 144 7.340 -2.366 -0.939 512 H MET 145 H MET 145 1.366 -4.732 -1.664 513 HA MET 145 HA MET 145 0.957 -7.322 -0.739 514 1HB MET 145 1HB MET 145 -1.033 -7.230 -2.549 515 2HB MET 145 2HB MET 145 -1.076 -6.310 -1.047 516 1HG MET 145 1HG MET 145 0.345 -4.977 -3.269 517 2HG MET 145 2HG MET 145 -1.385 -5.203 -3.527 518 1HE MET 145 1HE MET 145 -2.755 -5.329 -1.465 519 2HE MET 145 2HE MET 145 -2.294 -4.674 0.104 520 3HE MET 145 3HE MET 145 -3.256 -3.697 -1.001 521 H THR 146 H THR 146 2.194 -6.350 -3.862 522 HA THR 146 HA THR 146 2.594 -9.230 -4.487 523 HB THR 146 HB THR 146 0.678 -8.817 -5.810 524 HG1 THR 146 HG1 THR 146 2.301 -9.670 -7.081 525 1HG2 THR 146 1HG2 THR 146 1.938 -6.135 -6.432 526 2HG2 THR 146 2HG2 THR 146 0.487 -6.748 -7.226 527 3HG2 THR 146 3HG2 THR 146 0.475 -6.428 -5.491 528 H ALA 147 H ALA 147 4.532 -7.461 -3.498 529 HA ALA 147 HA ALA 147 6.043 -6.184 -5.594 530 1HB ALA 147 1HB ALA 147 6.722 -7.099 -2.797 531 2HB ALA 147 2HB ALA 147 7.936 -6.377 -3.854 532 3HB ALA 147 3HB ALA 147 6.511 -5.450 -3.385 533 H LYS 148 H LYS 148 6.229 -9.391 -4.063 534 HA LYS 148 HA LYS 148 8.564 -10.237 -5.528 535 1HB LYS 148 1HB LYS 148 8.002 -12.476 -4.746 536 2HB LYS 148 2HB LYS 148 7.745 -11.328 -3.431 537 1HG LYS 148 1HG LYS 148 5.301 -11.207 -4.298 538 2HG LYS 148 2HG LYS 148 5.687 -12.702 -5.153 539 1HD LYS 148 1HD LYS 148 5.380 -13.871 -3.259 540 2HD LYS 148 2HD LYS 148 6.657 -12.940 -2.474 541 1HE LYS 148 1HE LYS 148 5.123 -11.296 -1.694 542 2HE LYS 148 2HE LYS 148 3.842 -11.877 -2.759 543 1HZ LYS 148 1HZ LYS 148 4.869 -13.907 -1.010 544 2HZ LYS 148 2HZ LYS 148 4.188 -12.597 -0.169 545 3HZ LYS 148 3HZ LYS 148 3.264 -13.448 -1.313 No H/Q in entry = 545 Start of MODEL 5 Raw file had 555 H/Q atoms Start of MODEL 5 1 1H MET 76 1H MET 76 -6.891 0.179 -19.998 2 2H MET 76 2H MET 76 -6.138 -1.305 -20.340 3 3H MET 76 3H MET 76 -6.569 -0.256 -21.605 4 HA MET 76 HA MET 76 -8.853 -0.638 -21.314 5 1HB MET 76 1HB MET 76 -7.683 -3.360 -20.771 6 2HB MET 76 2HB MET 76 -8.995 -2.919 -21.864 7 1HG MET 76 1HG MET 76 -6.130 -2.024 -22.260 8 2HG MET 76 2HG MET 76 -6.810 -3.464 -23.017 9 1HE MET 76 1HE MET 76 -5.814 -2.339 -25.026 10 2HE MET 76 2HE MET 76 -6.568 -1.058 -25.973 11 3HE MET 76 3HE MET 76 -5.592 -0.646 -24.565 12 H LYS 77 H LYS 77 -6.936 -1.292 -18.526 13 HA LYS 77 HA LYS 77 -9.393 -2.006 -16.984 14 1HB LYS 77 1HB LYS 77 -7.560 -2.605 -15.205 15 2HB LYS 77 2HB LYS 77 -7.851 -3.712 -16.548 16 1HG LYS 77 1HG LYS 77 -5.842 -1.521 -16.912 17 2HG LYS 77 2HG LYS 77 -5.387 -2.932 -15.957 18 1HD LYS 77 1HD LYS 77 -6.665 -4.014 -18.188 19 2HD LYS 77 2HD LYS 77 -5.708 -2.687 -18.844 20 1HE LYS 77 1HE LYS 77 -3.730 -3.710 -18.370 21 2HE LYS 77 2HE LYS 77 -4.313 -4.331 -16.825 22 1HZ LYS 77 1HZ LYS 77 -5.779 -5.781 -18.460 23 2HZ LYS 77 2HZ LYS 77 -4.451 -5.524 -19.482 24 3HZ LYS 77 3HZ LYS 77 -4.226 -6.262 -17.968 25 H ASP 78 H ASP 78 -7.657 0.640 -17.776 26 HA ASP 78 HA ASP 78 -7.166 2.684 -16.707 27 1HB ASP 78 1HB ASP 78 -9.858 1.879 -15.581 28 2HB ASP 78 2HB ASP 78 -9.140 3.467 -15.306 29 H THR 79 H THR 79 -8.926 1.795 -13.832 30 HA THR 79 HA THR 79 -6.478 0.987 -12.395 31 HB THR 79 HB THR 79 -8.016 3.480 -11.608 32 HG1 THR 79 HG1 THR 79 -5.405 3.161 -12.669 33 1HG2 THR 79 1HG2 THR 79 -6.356 1.701 -10.138 34 2HG2 THR 79 2HG2 THR 79 -5.436 3.185 -10.393 35 3HG2 THR 79 3HG2 THR 79 -7.016 3.250 -9.611 36 H ASP 80 H ASP 80 -9.148 -0.170 -13.003 37 HA ASP 80 HA ASP 80 -10.503 -0.183 -10.379 38 1HB ASP 80 1HB ASP 80 -11.607 -0.271 -12.771 39 2HB ASP 80 2HB ASP 80 -11.245 -1.995 -12.659 40 H SER 81 H SER 81 -7.750 -1.303 -10.751 41 HA SER 81 HA SER 81 -8.280 -4.186 -10.204 42 1HB SER 81 1HB SER 81 -5.639 -2.805 -10.755 43 2HB SER 81 2HB SER 81 -5.909 -4.542 -10.644 44 HG SER 81 HG SER 81 -6.854 -4.529 -12.561 45 H GLU 82 H GLU 82 -6.969 -1.231 -8.798 46 HA GLU 82 HA GLU 82 -5.879 -2.594 -6.467 47 1HB GLU 82 1HB GLU 82 -6.610 0.339 -6.618 48 2HB GLU 82 2HB GLU 82 -5.376 -0.425 -5.608 49 1HG GLU 82 1HG GLU 82 -3.933 -0.785 -7.433 50 2HG GLU 82 2HG GLU 82 -5.227 -0.597 -8.615 51 H GLU 83 H GLU 83 -8.991 -2.203 -7.462 52 HA GLU 83 HA GLU 83 -10.521 -1.185 -5.406 53 1HB GLU 83 1HB GLU 83 -12.262 -2.708 -6.023 54 2HB GLU 83 2HB GLU 83 -11.347 -2.372 -7.496 55 1HG GLU 83 1HG GLU 83 -10.065 -4.425 -7.202 56 2HG GLU 83 2HG GLU 83 -10.902 -4.751 -5.686 57 H GLU 84 H GLU 84 -8.500 -4.024 -5.315 58 HA GLU 84 HA GLU 84 -9.612 -5.006 -2.791 59 1HB GLU 84 1HB GLU 84 -8.331 -6.299 -4.724 60 2HB GLU 84 2HB GLU 84 -6.909 -5.818 -3.797 61 1HG GLU 84 1HG GLU 84 -7.339 -7.716 -2.610 62 2HG GLU 84 2HG GLU 84 -8.538 -6.710 -1.799 63 H ILE 85 H ILE 85 -6.481 -3.561 -3.776 64 HA ILE 85 HA ILE 85 -5.424 -3.272 -1.147 65 HB ILE 85 HB ILE 85 -4.959 -1.442 -3.521 66 1HG1 ILE 85 1HG1 ILE 85 -2.841 -3.245 -3.268 67 2HG1 ILE 85 2HG1 ILE 85 -4.288 -4.235 -3.061 68 1HG2 ILE 85 1HG2 ILE 85 -4.110 -1.142 -0.934 69 2HG2 ILE 85 2HG2 ILE 85 -2.787 -2.080 -1.628 70 3HG2 ILE 85 3HG2 ILE 85 -3.240 -0.533 -2.341 71 1HD1 ILE 85 1HD1 ILE 85 -4.295 -2.221 -5.263 72 2HD1 ILE 85 2HD1 ILE 85 -3.313 -3.669 -5.485 73 3HD1 ILE 85 3HD1 ILE 85 -5.046 -3.816 -5.196 74 H ARG 86 H ARG 86 -6.820 -0.708 -3.192 75 HA ARG 86 HA ARG 86 -6.982 1.385 -1.526 76 1HB ARG 86 1HB ARG 86 -8.219 0.716 -3.867 77 2HB ARG 86 2HB ARG 86 -9.594 0.894 -2.773 78 1HG ARG 86 1HG ARG 86 -7.392 2.947 -2.965 79 2HG ARG 86 2HG ARG 86 -8.826 3.009 -3.986 80 1HD ARG 86 1HD ARG 86 -9.933 2.631 -1.504 81 2HD ARG 86 2HD ARG 86 -8.536 3.639 -1.124 82 HE ARG 86 HE ARG 86 -10.187 4.574 -3.376 83 1HH1 ARG 86 1HH1 ARG 86 -8.341 5.821 -1.053 84 2HH1 ARG 86 2HH1 ARG 86 -9.519 6.874 -0.344 85 1HH2 ARG 86 1HH2 ARG 86 -12.196 5.446 -2.022 86 2HH2 ARG 86 2HH2 ARG 86 -11.702 6.661 -0.892 87 H GLU 87 H GLU 87 -9.120 -1.444 -1.242 88 HA GLU 87 HA GLU 87 -10.697 -0.267 0.875 89 1HB GLU 87 1HB GLU 87 -11.602 -2.166 -0.333 90 2HB GLU 87 2HB GLU 87 -10.204 -3.158 0.084 91 1HG GLU 87 1HG GLU 87 -10.969 -3.584 2.184 92 2HG GLU 87 2HG GLU 87 -11.609 -1.953 2.386 93 H ALA 88 H ALA 88 -7.963 -2.577 0.866 94 HA ALA 88 HA ALA 88 -7.665 -2.296 3.789 95 1HB ALA 88 1HB ALA 88 -6.576 -4.051 1.667 96 2HB ALA 88 2HB ALA 88 -5.438 -3.647 2.952 97 3HB ALA 88 3HB ALA 88 -6.970 -4.429 3.344 98 H PHE 89 H PHE 89 -7.418 0.134 3.206 99 HA PHE 89 HA PHE 89 -4.823 1.057 3.763 100 1HB PHE 89 1HB PHE 89 -4.820 0.090 1.187 101 2HB PHE 89 2HB PHE 89 -5.257 1.772 0.917 102 HD1 PHE 89 HD1 PHE 89 -3.064 0.302 3.564 103 HD2 PHE 89 HD2 PHE 89 -3.302 2.778 0.067 104 HE1 PHE 89 HE1 PHE 89 -0.695 0.978 3.876 105 HE2 PHE 89 HE2 PHE 89 -0.933 3.441 0.376 106 HZ PHE 89 HZ PHE 89 0.371 2.534 2.275 107 H ARG 90 H ARG 90 -7.955 1.517 2.281 108 HA ARG 90 HA ARG 90 -7.959 4.375 2.261 109 1HB ARG 90 1HB ARG 90 -10.359 4.160 1.942 110 2HB ARG 90 2HB ARG 90 -9.585 2.876 1.014 111 1HG ARG 90 1HG ARG 90 -10.211 1.213 2.532 112 2HG ARG 90 2HG ARG 90 -10.443 2.360 3.850 113 1HD ARG 90 1HD ARG 90 -12.576 1.440 2.813 114 2HD ARG 90 2HD ARG 90 -12.466 3.199 2.890 115 HE ARG 90 HE ARG 90 -11.471 2.702 0.403 116 1HH1 ARG 90 1HH1 ARG 90 -13.410 0.256 1.351 117 2HH1 ARG 90 2HH1 ARG 90 -14.727 0.585 0.276 118 1HH2 ARG 90 1HH2 ARG 90 -13.526 3.698 -0.669 119 2HH2 ARG 90 2HH2 ARG 90 -14.793 2.534 -0.868 120 H VAL 91 H VAL 91 -8.384 1.928 4.625 121 HA VAL 91 HA VAL 91 -9.895 3.126 6.606 122 HB VAL 91 HB VAL 91 -7.364 1.494 6.914 123 1HG1 VAL 91 1HG1 VAL 91 -9.351 2.562 8.879 124 2HG1 VAL 91 2HG1 VAL 91 -8.693 0.948 9.148 125 3HG1 VAL 91 3HG1 VAL 91 -7.610 2.337 9.055 126 1HG2 VAL 91 1HG2 VAL 91 -9.695 0.741 5.750 127 2HG2 VAL 91 2HG2 VAL 91 -8.676 -0.368 6.669 128 3HG2 VAL 91 3HG2 VAL 91 -10.071 0.389 7.438 129 H PHE 92 H PHE 92 -6.768 4.082 5.448 130 HA PHE 92 HA PHE 92 -6.454 5.931 7.765 131 1HB PHE 92 1HB PHE 92 -4.504 4.894 5.701 132 2HB PHE 92 2HB PHE 92 -4.109 6.186 6.837 133 HD1 PHE 92 HD1 PHE 92 -4.892 2.595 6.484 134 HD2 PHE 92 HD2 PHE 92 -3.937 5.765 9.225 135 HE1 PHE 92 HE1 PHE 92 -4.433 0.927 8.268 136 HE2 PHE 92 HE2 PHE 92 -3.473 4.094 11.000 137 HZ PHE 92 HZ PHE 92 -3.723 1.675 10.519 138 H ASP 93 H ASP 93 -5.885 6.003 4.204 139 HA ASP 93 HA ASP 93 -6.382 8.922 4.291 140 1HB ASP 93 1HB ASP 93 -4.976 7.056 2.459 141 2HB ASP 93 2HB ASP 93 -5.785 8.426 1.697 142 H LYS 94 H LYS 94 -8.694 7.431 4.761 143 HA LYS 94 HA LYS 94 -10.283 6.607 2.629 144 1HB LYS 94 1HB LYS 94 -11.117 8.388 4.946 145 2HB LYS 94 2HB LYS 94 -12.235 7.523 3.891 146 1HG LYS 94 1HG LYS 94 -11.123 5.380 4.552 147 2HG LYS 94 2HG LYS 94 -10.145 6.289 5.705 148 1HD LYS 94 1HD LYS 94 -12.616 7.181 6.379 149 2HD LYS 94 2HD LYS 94 -13.014 5.551 5.831 150 1HE LYS 94 1HE LYS 94 -10.921 4.892 7.314 151 2HE LYS 94 2HE LYS 94 -11.292 6.411 8.128 152 1HZ LYS 94 1HZ LYS 94 -13.204 4.183 7.675 153 2HZ LYS 94 2HZ LYS 94 -12.447 4.547 9.147 154 3HZ LYS 94 3HZ LYS 94 -13.552 5.644 8.468 155 H ASP 95 H ASP 95 -10.400 9.943 3.882 156 HA ASP 95 HA ASP 95 -10.681 10.888 1.057 157 1HB ASP 95 1HB ASP 95 -12.557 11.138 3.129 158 2HB ASP 95 2HB ASP 95 -11.770 12.715 3.048 159 H GLY 96 H GLY 96 -8.376 10.537 3.017 160 1HA GLY 96 1HA GLY 96 -7.539 13.215 3.760 161 2HA GLY 96 2HA GLY 96 -6.538 11.764 3.820 162 H ASN 97 H ASN 97 -5.820 10.936 1.574 163 HA ASN 97 HA ASN 97 -5.712 13.002 -0.522 164 1HB ASN 97 1HB ASN 97 -3.720 13.001 1.456 165 2HB ASN 97 2HB ASN 97 -2.982 12.233 0.050 166 1HD2 ASN 97 1HD2 ASN 97 -2.385 15.457 -1.250 167 2HD2 ASN 97 2HD2 ASN 97 -1.729 13.965 -0.776 168 H GLY 98 H GLY 98 -4.499 9.879 0.653 169 1HA GLY 98 1HA GLY 98 -5.111 7.997 -0.988 170 2HA GLY 98 2HA GLY 98 -4.291 8.996 -2.194 171 H TYR 99 H TYR 99 -2.263 9.932 -0.291 172 HA TYR 99 HA TYR 99 -0.616 7.453 -0.223 173 1HB TYR 99 1HB TYR 99 1.266 8.782 -0.577 174 2HB TYR 99 2HB TYR 99 0.049 9.708 -1.453 175 HD1 TYR 99 HD1 TYR 99 2.002 9.475 1.670 176 HD2 TYR 99 HD2 TYR 99 -0.729 11.858 -0.640 177 HE1 TYR 99 HE1 TYR 99 2.437 11.416 3.157 178 HE2 TYR 99 HE2 TYR 99 -0.296 13.797 0.848 179 HH TYR 99 HH TYR 99 2.029 13.561 3.545 180 H ILE 100 H ILE 100 -0.393 6.549 1.758 181 HA ILE 100 HA ILE 100 -0.989 8.222 4.124 182 HB ILE 100 HB ILE 100 -0.442 5.642 5.025 183 1HG1 ILE 100 1HG1 ILE 100 -1.962 5.550 2.400 184 2HG1 ILE 100 2HG1 ILE 100 -0.462 4.703 2.783 185 1HG2 ILE 100 1HG2 ILE 100 -2.355 7.470 5.368 186 2HG2 ILE 100 2HG2 ILE 100 -3.229 6.393 4.278 187 3HG2 ILE 100 3HG2 ILE 100 -2.602 5.781 5.808 188 1HD1 ILE 100 1HD1 ILE 100 -2.955 4.284 4.423 189 2HD1 ILE 100 2HD1 ILE 100 -2.651 3.371 2.952 190 3HD1 ILE 100 3HD1 ILE 100 -1.527 3.255 4.301 191 H SER 101 H SER 101 1.218 5.470 4.238 192 HA SER 101 HA SER 101 3.690 6.803 4.084 193 1HB SER 101 1HB SER 101 2.171 7.325 6.544 194 2HB SER 101 2HB SER 101 3.814 6.758 6.827 195 HG SER 101 HG SER 101 4.021 8.913 6.563 196 H ALA 102 H ALA 102 5.159 5.649 6.124 197 HA ALA 102 HA ALA 102 5.035 2.819 5.373 198 1HB ALA 102 1HB ALA 102 6.914 4.547 6.952 199 2HB ALA 102 2HB ALA 102 6.993 2.795 7.148 200 3HB ALA 102 3HB ALA 102 7.251 3.518 5.560 201 H ALA 103 H ALA 103 4.448 4.774 8.277 202 HA ALA 103 HA ALA 103 4.011 2.549 10.044 203 1HB ALA 103 1HB ALA 103 4.014 5.359 10.257 204 2HB ALA 103 2HB ALA 103 2.391 4.852 10.729 205 3HB ALA 103 3HB ALA 103 3.799 4.199 11.568 206 H GLU 104 H GLU 104 2.148 3.932 7.513 207 HA GLU 104 HA GLU 104 -0.417 2.908 8.533 208 1HB GLU 104 1HB GLU 104 0.476 4.387 6.068 209 2HB GLU 104 2HB GLU 104 -1.093 3.577 6.083 210 1HG GLU 104 1HG GLU 104 -1.064 6.038 6.832 211 2HG GLU 104 2HG GLU 104 -1.873 4.899 7.907 212 H LEU 105 H LEU 105 1.910 2.168 5.958 213 HA LEU 105 HA LEU 105 0.486 -0.049 4.856 214 1HB LEU 105 1HB LEU 105 2.816 1.332 4.277 215 2HB LEU 105 2HB LEU 105 3.389 -0.279 4.721 216 HG LEU 105 HG LEU 105 1.018 -0.508 3.116 217 1HD1 LEU 105 1HD1 LEU 105 2.684 1.697 2.395 218 2HD1 LEU 105 2HD1 LEU 105 2.888 0.435 1.183 219 3HD1 LEU 105 3HD1 LEU 105 1.279 1.068 1.539 220 1HD2 LEU 105 1HD2 LEU 105 3.911 -1.345 3.006 221 2HD2 LEU 105 2HD2 LEU 105 2.477 -2.353 3.188 222 3HD2 LEU 105 3HD2 LEU 105 2.867 -1.646 1.619 223 H ARG 106 H ARG 106 2.828 0.202 7.503 224 HA ARG 106 HA ARG 106 3.305 -2.568 7.873 225 1HB ARG 106 1HB ARG 106 3.757 -1.924 10.265 226 2HB ARG 106 2HB ARG 106 4.618 -0.939 9.083 227 1HG ARG 106 1HG ARG 106 3.753 0.744 10.395 228 2HG ARG 106 2HG ARG 106 2.402 0.542 9.281 229 1HD ARG 106 1HD ARG 106 1.076 0.026 11.020 230 2HD ARG 106 2HD ARG 106 2.074 -1.394 11.332 231 HE ARG 106 HE ARG 106 3.533 0.234 12.708 232 1HH1 ARG 106 1HH1 ARG 106 1.761 2.613 12.109 233 2HH1 ARG 106 2HH1 ARG 106 0.781 2.683 13.536 234 1HH2 ARG 106 1HH2 ARG 106 1.582 -0.530 14.565 235 2HH2 ARG 106 2HH2 ARG 106 0.680 0.904 14.927 236 H HIS 107 H HIS 107 0.730 -0.507 9.202 237 HA HIS 107 HA HIS 107 -0.473 -2.722 10.673 238 1HB HIS 107 1HB HIS 107 -0.660 -0.435 11.517 239 2HB HIS 107 2HB HIS 107 -1.528 0.051 10.060 240 HD1 HIS 107 HD1 HIS 107 -2.180 -0.955 13.412 241 HD2 HIS 107 HD2 HIS 107 -3.978 -1.808 9.745 242 HE1 HIS 107 HE1 HIS 107 -4.510 -1.799 13.934 243 H VAL 108 H VAL 108 -1.094 -1.194 7.535 244 HA VAL 108 HA VAL 108 -3.642 -2.614 7.264 245 HB VAL 108 HB VAL 108 -3.496 -1.750 4.845 246 1HG1 VAL 108 1HG1 VAL 108 -4.540 -0.713 7.085 247 2HG1 VAL 108 2HG1 VAL 108 -3.370 0.556 6.716 248 3HG1 VAL 108 3HG1 VAL 108 -4.608 0.126 5.535 249 1HG2 VAL 108 1HG2 VAL 108 -0.880 -1.082 5.749 250 2HG2 VAL 108 2HG2 VAL 108 -1.607 -0.737 4.187 251 3HG2 VAL 108 3HG2 VAL 108 -1.754 0.427 5.503 252 H MET 109 H MET 109 -0.501 -2.840 5.519 253 HA MET 109 HA MET 109 -1.343 -5.152 4.061 254 1HB MET 109 1HB MET 109 0.908 -3.518 4.033 255 2HB MET 109 2HB MET 109 1.523 -5.093 4.550 256 1HG MET 109 1HG MET 109 0.392 -6.170 2.650 257 2HG MET 109 2HG MET 109 -0.248 -4.609 2.139 258 1HE MET 109 1HE MET 109 0.272 -3.987 0.371 259 2HE MET 109 2HE MET 109 1.833 -3.493 -0.299 260 3HE MET 109 3HE MET 109 1.257 -5.144 -0.514 261 H THR 110 H THR 110 -0.633 -4.711 7.317 262 HA THR 110 HA THR 110 0.208 -7.534 7.705 263 HB THR 110 HB THR 110 0.099 -5.144 9.560 264 HG1 THR 110 HG1 THR 110 2.343 -6.719 8.995 265 1HG2 THR 110 1HG2 THR 110 0.308 -8.051 10.085 266 2HG2 THR 110 2HG2 THR 110 1.431 -7.012 10.965 267 3HG2 THR 110 3HG2 THR 110 -0.309 -6.757 11.113 268 H ASN 111 H ASN 111 -2.276 -7.591 6.807 269 HA ASN 111 HA ASN 111 -3.850 -8.941 8.614 270 1HB ASN 111 1HB ASN 111 -5.556 -7.166 9.305 271 2HB ASN 111 2HB ASN 111 -4.015 -7.126 10.155 272 1HD2 ASN 111 1HD2 ASN 111 -5.061 -3.699 8.763 273 2HD2 ASN 111 2HD2 ASN 111 -5.989 -4.886 9.545 274 H LEU 112 H LEU 112 -4.103 -6.300 6.231 275 HA LEU 112 HA LEU 112 -6.602 -6.955 5.126 276 1HB LEU 112 1HB LEU 112 -5.809 -5.928 3.036 277 2HB LEU 112 2HB LEU 112 -5.382 -4.956 4.433 278 HG LEU 112 HG LEU 112 -3.300 -4.894 3.554 279 1HD1 LEU 112 1HD1 LEU 112 -3.320 -7.811 4.390 280 2HD1 LEU 112 2HD1 LEU 112 -1.896 -7.022 3.749 281 3HD1 LEU 112 3HD1 LEU 112 -2.619 -6.452 5.235 282 1HD2 LEU 112 1HD2 LEU 112 -4.409 -7.039 1.779 283 2HD2 LEU 112 2HD2 LEU 112 -3.842 -5.420 1.366 284 3HD2 LEU 112 3HD2 LEU 112 -2.680 -6.693 1.744 285 H GLY 113 H GLY 113 -6.114 -7.657 2.389 286 1HA GLY 113 1HA GLY 113 -6.318 -10.431 2.390 287 2HA GLY 113 2HA GLY 113 -5.636 -9.538 1.026 288 H GLU 114 H GLU 114 -3.460 -8.458 2.683 289 HA GLU 114 HA GLU 114 -1.684 -10.827 2.612 290 1HB GLU 114 1HB GLU 114 -1.362 -7.917 2.276 291 2HB GLU 114 2HB GLU 114 -0.087 -8.669 3.237 292 1HG GLU 114 1HG GLU 114 -1.020 -9.716 0.556 293 2HG GLU 114 2HG GLU 114 0.361 -8.636 0.751 294 H LYS 115 H LYS 115 0.219 -9.936 4.519 295 HA LYS 115 HA LYS 115 -0.584 -9.107 7.025 296 1HB LYS 115 1HB LYS 115 -1.090 -11.341 8.157 297 2HB LYS 115 2HB LYS 115 -2.372 -10.710 7.127 298 1HG LYS 115 1HG LYS 115 -1.384 -12.124 5.246 299 2HG LYS 115 2HG LYS 115 -0.380 -12.893 6.472 300 1HD LYS 115 1HD LYS 115 -2.566 -13.334 7.748 301 2HD LYS 115 2HD LYS 115 -3.391 -12.917 6.245 302 1HE LYS 115 1HE LYS 115 -2.963 -15.381 6.507 303 2HE LYS 115 2HE LYS 115 -2.244 -14.689 5.053 304 1HZ LYS 115 1HZ LYS 115 -0.621 -14.693 7.478 305 2HZ LYS 115 2HZ LYS 115 -0.874 -16.190 6.721 306 3HZ LYS 115 3HZ LYS 115 -0.156 -14.913 5.858 307 H LEU 116 H LEU 116 1.687 -8.635 7.054 308 HA LEU 116 HA LEU 116 3.404 -11.044 7.467 309 1HB LEU 116 1HB LEU 116 5.279 -9.637 6.524 310 2HB LEU 116 2HB LEU 116 4.027 -10.055 5.353 311 HG LEU 116 HG LEU 116 3.858 -7.485 6.919 312 1HD1 LEU 116 1HD1 LEU 116 5.793 -8.204 4.821 313 2HD1 LEU 116 2HD1 LEU 116 4.858 -6.752 4.462 314 3HD1 LEU 116 3HD1 LEU 116 5.804 -6.847 5.947 315 1HD2 LEU 116 1HD2 LEU 116 2.377 -8.813 4.824 316 2HD2 LEU 116 2HD2 LEU 116 1.981 -7.322 5.680 317 3HD2 LEU 116 3HD2 LEU 116 2.985 -7.267 4.232 318 H THR 117 H THR 117 5.287 -8.355 7.886 319 HA THR 117 HA THR 117 4.486 -7.981 10.729 320 HB THR 117 HB THR 117 6.980 -8.007 11.275 321 HG1 THR 117 HG1 THR 117 7.888 -9.597 9.520 322 1HG2 THR 117 1HG2 THR 117 5.328 -9.880 11.729 323 2HG2 THR 117 2HG2 THR 117 5.901 -10.636 10.241 324 3HG2 THR 117 3HG2 THR 117 7.013 -10.383 11.585 325 H ASP 118 H ASP 118 5.829 -6.038 11.652 326 HA ASP 118 HA ASP 118 5.421 -3.802 9.842 327 1HB ASP 118 1HB ASP 118 5.176 -3.832 12.421 328 2HB ASP 118 2HB ASP 118 6.931 -3.657 12.451 329 H GLU 119 H GLU 119 8.044 -5.919 10.470 330 HA GLU 119 HA GLU 119 10.074 -3.964 9.588 331 1HB GLU 119 1HB GLU 119 10.090 -6.683 10.774 332 2HB GLU 119 2HB GLU 119 11.391 -6.341 9.631 333 1HG GLU 119 1HG GLU 119 11.864 -4.228 10.911 334 2HG GLU 119 2HG GLU 119 10.685 -4.752 12.115 335 H GLU 120 H GLU 120 8.554 -6.962 8.424 336 HA GLU 120 HA GLU 120 9.983 -7.050 5.932 337 1HB GLU 120 1HB GLU 120 7.190 -8.102 6.467 338 2HB GLU 120 2HB GLU 120 8.335 -8.681 5.256 339 1HG GLU 120 1HG GLU 120 9.228 -8.674 8.105 340 2HG GLU 120 2HG GLU 120 8.062 -9.905 7.619 341 H VAL 121 H VAL 121 7.132 -5.354 7.042 342 HA VAL 121 HA VAL 121 6.398 -4.468 4.340 343 HB VAL 121 HB VAL 121 4.572 -4.811 5.881 344 1HG1 VAL 121 1HG1 VAL 121 6.282 -4.027 7.861 345 2HG1 VAL 121 2HG1 VAL 121 5.267 -2.600 7.704 346 3HG1 VAL 121 3HG1 VAL 121 4.540 -4.167 8.053 347 1HG2 VAL 121 1HG2 VAL 121 4.455 -2.871 4.296 348 2HG2 VAL 121 2HG2 VAL 121 3.468 -2.658 5.743 349 3HG2 VAL 121 3HG2 VAL 121 5.018 -1.828 5.603 350 H ASP 122 H ASP 122 7.509 -2.787 7.325 351 HA ASP 122 HA ASP 122 7.859 -0.252 6.096 352 1HB ASP 122 1HB ASP 122 7.916 -0.756 8.578 353 2HB ASP 122 2HB ASP 122 9.554 -1.368 8.344 354 H GLU 123 H GLU 123 9.814 -3.140 5.985 355 HA GLU 123 HA GLU 123 12.179 -1.721 4.973 356 1HB GLU 123 1HB GLU 123 12.253 -3.866 6.352 357 2HB GLU 123 2HB GLU 123 11.668 -4.705 4.914 358 1HG GLU 123 1HG GLU 123 13.848 -2.960 4.193 359 2HG GLU 123 2HG GLU 123 14.343 -4.009 5.523 360 H MET 124 H MET 124 9.446 -3.531 3.684 361 HA MET 124 HA MET 124 10.564 -3.587 0.974 362 1HB MET 124 1HB MET 124 8.524 -4.972 2.333 363 2HB MET 124 2HB MET 124 7.703 -4.028 1.091 364 1HG MET 124 1HG MET 124 8.260 -5.841 -0.202 365 2HG MET 124 2HG MET 124 9.767 -4.940 -0.375 366 1HE MET 124 1HE MET 124 11.831 -5.589 0.123 367 2HE MET 124 2HE MET 124 12.337 -7.198 0.655 368 3HE MET 124 3HE MET 124 11.407 -7.009 -0.830 369 H ILE 125 H ILE 125 8.838 -1.347 2.903 370 HA ILE 125 HA ILE 125 7.287 -0.040 0.888 371 HB ILE 125 HB ILE 125 7.922 0.349 3.657 372 1HG1 ILE 125 1HG1 ILE 125 5.947 2.171 2.570 373 2HG1 ILE 125 2HG1 ILE 125 5.771 0.557 1.877 374 1HG2 ILE 125 1HG2 ILE 125 8.353 2.779 1.912 375 2HG2 ILE 125 2HG2 ILE 125 7.826 2.915 3.589 376 3HG2 ILE 125 3HG2 ILE 125 9.381 2.174 3.211 377 1HD1 ILE 125 1HD1 ILE 125 6.259 0.708 4.812 378 2HD1 ILE 125 2HD1 ILE 125 4.675 1.235 4.247 379 3HD1 ILE 125 3HD1 ILE 125 5.236 -0.400 3.900 380 H ARG 126 H ARG 126 10.693 0.163 1.762 381 HA ARG 126 HA ARG 126 11.453 2.569 0.561 382 1HB ARG 126 1HB ARG 126 12.972 -0.028 0.199 383 2HB ARG 126 2HB ARG 126 13.636 1.605 0.268 384 1HG ARG 126 1HG ARG 126 12.546 1.699 2.632 385 2HG ARG 126 2HG ARG 126 12.496 -0.059 2.505 386 1HD ARG 126 1HD ARG 126 14.981 1.653 2.201 387 2HD ARG 126 2HD ARG 126 14.570 0.691 3.621 388 HE ARG 126 HE ARG 126 14.558 -1.012 1.330 389 1HH1 ARG 126 1HH1 ARG 126 16.457 0.365 3.815 390 2HH1 ARG 126 2HH1 ARG 126 17.915 -0.446 3.351 391 1HH2 ARG 126 1HH2 ARG 126 16.532 -1.870 0.507 392 2HH2 ARG 126 2HH2 ARG 126 17.958 -1.711 1.478 393 H GLU 127 H GLU 127 10.231 -0.323 -0.909 394 HA GLU 127 HA GLU 127 11.130 0.295 -3.608 395 1HB GLU 127 1HB GLU 127 9.133 -1.650 -2.440 396 2HB GLU 127 2HB GLU 127 9.367 -1.484 -4.182 397 1HG GLU 127 1HG GLU 127 11.491 -2.215 -2.145 398 2HG GLU 127 2HG GLU 127 10.785 -3.289 -3.354 399 H ALA 128 H ALA 128 8.067 0.677 -1.794 400 HA ALA 128 HA ALA 128 6.873 2.052 -4.129 401 1HB ALA 128 1HB ALA 128 5.830 1.119 -1.457 402 2HB ALA 128 2HB ALA 128 4.897 2.236 -2.453 403 3HB ALA 128 3HB ALA 128 5.309 0.636 -3.071 404 H ASP 129 H ASP 129 6.913 2.851 -0.643 405 HA ASP 129 HA ASP 129 6.745 5.689 -1.208 406 1HB ASP 129 1HB ASP 129 5.760 5.049 0.836 407 2HB ASP 129 2HB ASP 129 7.131 4.037 1.285 408 H ILE 130 H ILE 130 8.400 7.145 -1.409 409 HA ILE 130 HA ILE 130 11.080 6.518 -0.396 410 HB ILE 130 HB ILE 130 12.040 6.980 -2.760 411 1HG1 ILE 130 1HG1 ILE 130 9.197 6.134 -3.402 412 2HG1 ILE 130 2HG1 ILE 130 9.969 7.656 -3.850 413 1HG2 ILE 130 1HG2 ILE 130 11.991 4.779 -1.452 414 2HG2 ILE 130 2HG2 ILE 130 10.572 4.359 -2.413 415 3HG2 ILE 130 3HG2 ILE 130 12.123 4.636 -3.206 416 1HD1 ILE 130 1HD1 ILE 130 11.713 6.234 -5.077 417 2HD1 ILE 130 2HD1 ILE 130 10.601 4.881 -4.867 418 3HD1 ILE 130 3HD1 ILE 130 10.105 6.294 -5.798 419 H ASP 131 H ASP 131 9.179 8.699 -2.517 420 HA ASP 131 HA ASP 131 9.405 11.015 -1.020 421 1HB ASP 131 1HB ASP 131 11.979 10.254 -2.138 422 2HB ASP 131 2HB ASP 131 11.477 11.848 -2.703 423 H GLY 132 H GLY 132 9.378 9.540 -4.168 424 1HA GLY 132 1HA GLY 132 9.043 11.573 -5.982 425 2HA GLY 132 2HA GLY 132 8.027 10.133 -6.021 426 H ASP 133 H ASP 133 6.036 10.196 -4.687 427 HA ASP 133 HA ASP 133 5.106 12.881 -3.861 428 1HB ASP 133 1HB ASP 133 4.081 11.362 -6.231 429 2HB ASP 133 2HB ASP 133 2.920 12.250 -5.243 430 H GLY 134 H GLY 134 4.218 12.511 -1.878 431 1HA GLY 134 1HA GLY 134 3.038 11.432 -0.152 432 2HA GLY 134 2HA GLY 134 2.122 10.609 -1.421 433 H GLN 135 H GLN 135 4.200 10.053 1.111 434 HA GLN 135 HA GLN 135 6.164 8.279 0.492 435 1HB GLN 135 1HB GLN 135 3.985 7.863 2.558 436 2HB GLN 135 2HB GLN 135 5.476 6.925 2.501 437 1HG GLN 135 1HG GLN 135 6.124 9.720 2.324 438 2HG GLN 135 2HG GLN 135 5.071 9.461 3.714 439 1HE2 GLN 135 1HE2 GLN 135 7.475 7.612 5.544 440 2HE2 GLN 135 2HE2 GLN 135 5.849 8.082 5.446 441 H VAL 136 H VAL 136 3.382 6.420 1.500 442 HA VAL 136 HA VAL 136 3.642 4.826 -1.015 443 HB VAL 136 HB VAL 136 2.054 3.405 0.836 444 1HG1 VAL 136 1HG1 VAL 136 4.613 3.191 -0.551 445 2HG1 VAL 136 2HG1 VAL 136 4.625 2.352 1.000 446 3HG1 VAL 136 3HG1 VAL 136 3.414 1.943 -0.216 447 1HG2 VAL 136 1HG2 VAL 136 4.493 4.652 2.149 448 2HG2 VAL 136 2HG2 VAL 136 2.815 4.874 2.641 449 3HG2 VAL 136 3HG2 VAL 136 3.584 3.299 2.817 450 H ASN 137 H ASN 137 1.891 4.929 -2.415 451 HA ASN 137 HA ASN 137 -0.677 5.885 -1.232 452 1HB ASN 137 1HB ASN 137 -0.910 7.161 -3.479 453 2HB ASN 137 2HB ASN 137 0.111 7.837 -2.213 454 1HD2 ASN 137 1HD2 ASN 137 2.352 5.808 -4.985 455 2HD2 ASN 137 2HD2 ASN 137 1.101 5.021 -4.162 456 H TYR 138 H TYR 138 -1.211 3.520 -1.432 457 HA TYR 138 HA TYR 138 -2.244 1.731 -2.556 458 1HB TYR 138 1HB TYR 138 -3.353 4.065 -4.133 459 2HB TYR 138 2HB TYR 138 -4.061 2.457 -4.020 460 HD1 TYR 138 HD1 TYR 138 -2.695 5.064 -1.663 461 HD2 TYR 138 HD2 TYR 138 -5.745 2.204 -2.543 462 HE1 TYR 138 HE1 TYR 138 -3.840 5.657 0.451 463 HE2 TYR 138 HE2 TYR 138 -6.916 2.803 -0.432 464 HH TYR 138 HH TYR 138 -5.438 4.902 1.948 465 H GLU 139 H GLU 139 -2.122 3.762 -5.442 466 HA GLU 139 HA GLU 139 -1.488 1.861 -7.275 467 1HB GLU 139 1HB GLU 139 0.031 4.457 -7.406 468 2HB GLU 139 2HB GLU 139 -0.720 3.554 -8.720 469 1HG GLU 139 1HG GLU 139 -2.902 4.069 -7.192 470 2HG GLU 139 2HG GLU 139 -1.923 5.491 -6.827 471 H GLU 140 H GLU 140 0.784 3.451 -5.086 472 HA GLU 140 HA GLU 140 3.027 1.818 -6.101 473 1HB GLU 140 1HB GLU 140 2.790 4.026 -4.057 474 2HB GLU 140 2HB GLU 140 4.254 3.054 -4.196 475 1HG GLU 140 1HG GLU 140 3.067 4.298 -6.659 476 2HG GLU 140 2HG GLU 140 4.050 5.282 -5.574 477 H PHE 141 H PHE 141 0.809 2.068 -3.428 478 HA PHE 141 HA PHE 141 2.159 0.200 -1.669 479 1HB PHE 141 1HB PHE 141 0.639 1.803 -0.719 480 2HB PHE 141 2HB PHE 141 -0.662 1.284 -1.786 481 HD1 PHE 141 HD1 PHE 141 1.773 -0.838 0.044 482 HD2 PHE 141 HD2 PHE 141 -2.297 0.473 -0.274 483 HE1 PHE 141 HE1 PHE 141 1.096 -2.520 1.718 484 HE2 PHE 141 HE2 PHE 141 -2.978 -1.197 1.428 485 HZ PHE 141 HZ PHE 141 -1.272 -2.700 2.427 486 H VAL 142 H VAL 142 0.722 -0.324 -4.599 487 HA VAL 142 HA VAL 142 -0.481 -2.930 -3.857 488 HB VAL 142 HB VAL 142 -1.840 -1.624 -5.362 489 1HG1 VAL 142 1HG1 VAL 142 0.795 -1.049 -6.569 490 2HG1 VAL 142 2HG1 VAL 142 -0.508 -1.302 -7.730 491 3HG1 VAL 142 3HG1 VAL 142 -0.655 -0.046 -6.500 492 1HG2 VAL 142 1HG2 VAL 142 -1.229 -4.166 -5.837 493 2HG2 VAL 142 2HG2 VAL 142 -2.218 -3.252 -6.976 494 3HG2 VAL 142 3HG2 VAL 142 -0.498 -3.485 -7.290 495 H GLN 143 H GLN 143 2.497 -1.681 -4.707 496 HA GLN 143 HA GLN 143 3.316 -3.933 -6.425 497 1HB GLN 143 1HB GLN 143 4.214 -1.753 -6.982 498 2HB GLN 143 2HB GLN 143 4.822 -1.538 -5.340 499 1HG GLN 143 1HG GLN 143 6.460 -3.239 -5.607 500 2HG GLN 143 2HG GLN 143 5.690 -3.858 -7.069 501 1HE2 GLN 143 1HE2 GLN 143 7.209 -0.133 -7.740 502 2HE2 GLN 143 2HE2 GLN 143 6.032 -0.380 -6.542 503 H MET 144 H MET 144 3.183 -3.243 -3.072 504 HA MET 144 HA MET 144 5.490 -4.958 -2.420 505 1HB MET 144 1HB MET 144 3.561 -4.332 -0.268 506 2HB MET 144 2HB MET 144 5.314 -4.222 -0.264 507 1HG MET 144 1HG MET 144 4.308 -2.254 -2.070 508 2HG MET 144 2HG MET 144 3.419 -2.113 -0.549 509 1HE MET 144 1HE MET 144 6.341 -2.264 -2.518 510 2HE MET 144 2HE MET 144 7.454 -1.076 -1.846 511 3HE MET 144 3HE MET 144 7.584 -2.777 -1.380 512 H MET 145 H MET 145 1.975 -5.039 -2.365 513 HA MET 145 HA MET 145 1.777 -7.676 -1.200 514 1HB MET 145 1HB MET 145 -0.592 -7.522 -2.170 515 2HB MET 145 2HB MET 145 -0.142 -6.282 -1.001 516 1HG MET 145 1HG MET 145 0.060 -4.617 -2.641 517 2HG MET 145 2HG MET 145 0.323 -5.794 -3.931 518 1HE MET 145 1HE MET 145 -1.993 -5.629 -0.999 519 2HE MET 145 2HE MET 145 -2.430 -4.030 -1.618 520 3HE MET 145 3HE MET 145 -3.611 -5.338 -1.636 521 H THR 146 H THR 146 2.005 -6.400 -4.484 522 HA THR 146 HA THR 146 1.570 -9.065 -5.635 523 HB THR 146 HB THR 146 1.697 -8.012 -7.772 524 HG1 THR 146 HG1 THR 146 3.102 -6.054 -6.322 525 1HG2 THR 146 1HG2 THR 146 0.256 -6.618 -5.611 526 2HG2 THR 146 2HG2 THR 146 0.490 -5.658 -7.071 527 3HG2 THR 146 3HG2 THR 146 -0.339 -7.212 -7.162 528 H ALA 147 H ALA 147 3.962 -7.934 -3.928 529 HA ALA 147 HA ALA 147 6.206 -8.651 -5.703 530 1HB ALA 147 1HB ALA 147 5.860 -7.062 -3.365 531 2HB ALA 147 2HB ALA 147 6.996 -8.350 -2.966 532 3HB ALA 147 3HB ALA 147 7.327 -7.272 -4.323 533 H LYS 148 H LYS 148 7.550 -10.491 -5.319 534 HA LYS 148 HA LYS 148 7.982 -12.709 -4.687 535 1HB LYS 148 1HB LYS 148 6.527 -11.703 -2.231 536 2HB LYS 148 2HB LYS 148 7.194 -13.333 -2.340 537 1HG LYS 148 1HG LYS 148 8.813 -10.811 -2.796 538 2HG LYS 148 2HG LYS 148 8.749 -11.678 -1.260 539 1HD LYS 148 1HD LYS 148 10.357 -13.064 -2.002 540 2HD LYS 148 2HD LYS 148 9.268 -13.609 -3.279 541 1HE LYS 148 1HE LYS 148 10.634 -12.640 -4.782 542 2HE LYS 148 2HE LYS 148 10.205 -11.074 -4.093 543 1HZ LYS 148 1HZ LYS 148 12.296 -12.793 -2.901 544 2HZ LYS 148 2HZ LYS 148 12.646 -11.677 -4.133 545 3HZ LYS 148 3HZ LYS 148 12.024 -11.139 -2.646 No H/Q in entry = 545 Start of MODEL 6 Raw file had 555 H/Q atoms Start of MODEL 6 1 1H MET 76 1H MET 76 -3.773 -4.316 -20.709 2 2H MET 76 2H MET 76 -4.521 -3.869 -22.165 3 3H MET 76 3H MET 76 -4.434 -2.760 -20.881 4 HA MET 76 HA MET 76 -6.573 -3.457 -20.623 5 1HB MET 76 1HB MET 76 -6.209 -5.140 -22.539 6 2HB MET 76 2HB MET 76 -5.793 -6.301 -21.279 7 1HG MET 76 1HG MET 76 -7.944 -6.307 -20.384 8 2HG MET 76 2HG MET 76 -8.324 -4.709 -21.025 9 1HE MET 76 1HE MET 76 -6.782 -7.842 -22.042 10 2HE MET 76 2HE MET 76 -8.302 -8.736 -22.182 11 3HE MET 76 3HE MET 76 -7.413 -8.274 -23.630 12 H LYS 77 H LYS 77 -5.248 -2.948 -18.506 13 HA LYS 77 HA LYS 77 -5.088 -5.401 -16.820 14 1HB LYS 77 1HB LYS 77 -3.716 -4.081 -15.294 15 2HB LYS 77 2HB LYS 77 -3.061 -3.943 -16.926 16 1HG LYS 77 1HG LYS 77 -4.728 -1.858 -17.018 17 2HG LYS 77 2HG LYS 77 -4.475 -1.898 -15.273 18 1HD LYS 77 1HD LYS 77 -2.530 -0.813 -15.599 19 2HD LYS 77 2HD LYS 77 -1.924 -2.260 -16.405 20 1HE LYS 77 1HE LYS 77 -2.451 -1.450 -18.541 21 2HE LYS 77 2HE LYS 77 -3.631 -0.298 -17.916 22 1HZ LYS 77 1HZ LYS 77 -1.751 0.882 -16.845 23 2HZ LYS 77 2HZ LYS 77 -0.679 -0.152 -17.663 24 3HZ LYS 77 3HZ LYS 77 -1.685 0.894 -18.542 25 H ASP 78 H ASP 78 -7.184 -2.938 -17.546 26 HA ASP 78 HA ASP 78 -8.947 -1.886 -16.372 27 1HB ASP 78 1HB ASP 78 -9.107 -4.723 -16.265 28 2HB ASP 78 2HB ASP 78 -9.633 -4.114 -14.696 29 H THR 79 H THR 79 -9.950 -2.341 -13.791 30 HA THR 79 HA THR 79 -7.641 -1.452 -12.102 31 HB THR 79 HB THR 79 -10.578 -0.744 -11.803 32 HG1 THR 79 HG1 THR 79 -8.365 0.562 -12.959 33 1HG2 THR 79 1HG2 THR 79 -8.401 -0.645 -9.983 34 2HG2 THR 79 2HG2 THR 79 -8.735 1.015 -10.478 35 3HG2 THR 79 3HG2 THR 79 -10.016 0.031 -9.771 36 H ASP 80 H ASP 80 -8.456 -4.219 -12.511 37 HA ASP 80 HA ASP 80 -9.904 -4.965 -10.051 38 1HB ASP 80 1HB ASP 80 -10.095 -6.130 -12.362 39 2HB ASP 80 2HB ASP 80 -8.558 -6.888 -11.945 40 H SER 81 H SER 81 -7.152 -3.678 -10.037 41 HA SER 81 HA SER 81 -5.650 -5.879 -8.686 42 1HB SER 81 1HB SER 81 -4.846 -3.859 -10.539 43 2HB SER 81 2HB SER 81 -4.055 -3.524 -9.001 44 HG SER 81 HG SER 81 -4.079 -5.994 -10.410 45 H GLU 82 H GLU 82 -5.884 -2.311 -8.362 46 HA GLU 82 HA GLU 82 -5.469 -2.551 -5.470 47 1HB GLU 82 1HB GLU 82 -6.369 0.020 -6.702 48 2HB GLU 82 2HB GLU 82 -5.139 -0.265 -5.468 49 1HG GLU 82 1HG GLU 82 -3.641 0.036 -7.141 50 2HG GLU 82 2HG GLU 82 -4.101 -1.585 -7.661 51 H GLU 83 H GLU 83 -8.059 -3.297 -7.230 52 HA GLU 83 HA GLU 83 -10.213 -1.782 -6.189 53 1HB GLU 83 1HB GLU 83 -11.515 -3.988 -6.543 54 2HB GLU 83 2HB GLU 83 -10.745 -3.258 -7.955 55 1HG GLU 83 1HG GLU 83 -9.441 -5.056 -8.236 56 2HG GLU 83 2HG GLU 83 -8.856 -4.922 -6.578 57 H GLU 84 H GLU 84 -8.382 -4.461 -4.830 58 HA GLU 84 HA GLU 84 -10.127 -4.496 -2.429 59 1HB GLU 84 1HB GLU 84 -9.103 -6.582 -3.685 60 2HB GLU 84 2HB GLU 84 -7.669 -6.193 -2.735 61 1HG GLU 84 1HG GLU 84 -8.593 -7.195 -0.947 62 2HG GLU 84 2HG GLU 84 -9.913 -6.027 -0.990 63 H ILE 85 H ILE 85 -6.810 -3.755 -3.431 64 HA ILE 85 HA ILE 85 -5.614 -3.310 -0.924 65 HB ILE 85 HB ILE 85 -5.249 -2.011 -3.623 66 1HG1 ILE 85 1HG1 ILE 85 -3.080 -3.392 -2.135 67 2HG1 ILE 85 2HG1 ILE 85 -4.427 -4.402 -2.662 68 1HG2 ILE 85 1HG2 ILE 85 -4.764 -0.292 -1.887 69 2HG2 ILE 85 2HG2 ILE 85 -3.636 -1.412 -1.120 70 3HG2 ILE 85 3HG2 ILE 85 -3.305 -0.801 -2.741 71 1HD1 ILE 85 1HD1 ILE 85 -3.727 -2.623 -4.800 72 2HD1 ILE 85 2HD1 ILE 85 -2.263 -3.426 -4.232 73 3HD1 ILE 85 3HD1 ILE 85 -3.642 -4.385 -4.769 74 H ARG 86 H ARG 86 -7.150 -0.832 -2.984 75 HA ARG 86 HA ARG 86 -7.081 1.405 -1.486 76 1HB ARG 86 1HB ARG 86 -8.777 0.489 -3.501 77 2HB ARG 86 2HB ARG 86 -9.874 0.907 -2.177 78 1HG ARG 86 1HG ARG 86 -7.670 2.763 -3.045 79 2HG ARG 86 2HG ARG 86 -9.247 2.787 -3.827 80 1HD ARG 86 1HD ARG 86 -9.414 2.764 -0.899 81 2HD ARG 86 2HD ARG 86 -8.583 4.186 -1.533 82 HE ARG 86 HE ARG 86 -10.659 4.936 -2.348 83 1HH1 ARG 86 1HH1 ARG 86 -11.506 3.073 -4.280 84 2HH1 ARG 86 2HH1 ARG 86 -12.821 2.211 -3.555 85 1HH2 ARG 86 1HH2 ARG 86 -12.013 3.167 -0.321 86 2HH2 ARG 86 2HH2 ARG 86 -13.109 2.265 -1.313 87 H GLU 87 H GLU 87 -9.721 -0.965 -0.960 88 HA GLU 87 HA GLU 87 -10.735 0.250 1.355 89 1HB GLU 87 1HB GLU 87 -11.961 -1.566 0.356 90 2HB GLU 87 2HB GLU 87 -10.609 -2.678 0.574 91 1HG GLU 87 1HG GLU 87 -11.355 -3.214 2.621 92 2HG GLU 87 2HG GLU 87 -11.253 -1.523 3.112 93 H ALA 88 H ALA 88 -8.236 -2.310 1.144 94 HA ALA 88 HA ALA 88 -7.633 -1.985 4.012 95 1HB ALA 88 1HB ALA 88 -6.869 -3.867 1.846 96 2HB ALA 88 2HB ALA 88 -5.627 -3.559 3.059 97 3HB ALA 88 3HB ALA 88 -7.201 -4.188 3.549 98 H PHE 89 H PHE 89 -7.201 0.405 3.394 99 HA PHE 89 HA PHE 89 -4.546 1.134 3.750 100 1HB PHE 89 1HB PHE 89 -4.563 0.019 1.277 101 2HB PHE 89 2HB PHE 89 -5.021 1.663 0.859 102 HD1 PHE 89 HD1 PHE 89 -2.683 0.157 3.391 103 HD2 PHE 89 HD2 PHE 89 -3.224 2.909 0.153 104 HE1 PHE 89 HE1 PHE 89 -0.329 0.903 3.632 105 HE2 PHE 89 HE2 PHE 89 -0.878 3.659 0.382 106 HZ PHE 89 HZ PHE 89 0.573 2.651 2.120 107 H ARG 90 H ARG 90 -7.677 1.796 2.452 108 HA ARG 90 HA ARG 90 -7.291 4.657 2.284 109 1HB ARG 90 1HB ARG 90 -9.316 4.685 1.241 110 2HB ARG 90 2HB ARG 90 -9.051 2.953 1.110 111 1HG ARG 90 1HG ARG 90 -10.654 4.386 3.240 112 2HG ARG 90 2HG ARG 90 -11.271 3.310 1.979 113 1HD ARG 90 1HD ARG 90 -9.317 1.805 3.285 114 2HD ARG 90 2HD ARG 90 -10.180 2.637 4.581 115 HE ARG 90 HE ARG 90 -11.708 1.197 2.474 116 1HH1 ARG 90 1HH1 ARG 90 -13.639 1.968 4.202 117 2HH1 ARG 90 2HH1 ARG 90 -13.633 0.872 5.543 118 1HH2 ARG 90 1HH2 ARG 90 -10.455 -0.339 4.886 119 2HH2 ARG 90 2HH2 ARG 90 -11.833 -0.433 5.928 120 H VAL 91 H VAL 91 -7.691 2.455 4.742 121 HA VAL 91 HA VAL 91 -9.412 3.876 6.541 122 HB VAL 91 HB VAL 91 -7.229 1.821 6.932 123 1HG1 VAL 91 1HG1 VAL 91 -9.064 3.146 8.938 124 2HG1 VAL 91 2HG1 VAL 91 -8.329 1.570 9.234 125 3HG1 VAL 91 3HG1 VAL 91 -7.307 2.990 9.004 126 1HG2 VAL 91 1HG2 VAL 91 -9.488 1.326 5.752 127 2HG2 VAL 91 2HG2 VAL 91 -8.994 0.252 7.062 128 3HG2 VAL 91 3HG2 VAL 91 -10.202 1.502 7.356 129 H PHE 92 H PHE 92 -6.379 4.666 5.335 130 HA PHE 92 HA PHE 92 -5.799 6.292 7.768 131 1HB PHE 92 1HB PHE 92 -3.890 4.943 5.854 132 2HB PHE 92 2HB PHE 92 -3.403 6.077 7.110 133 HD1 PHE 92 HD1 PHE 92 -4.299 5.576 9.515 134 HD2 PHE 92 HD2 PHE 92 -4.034 2.657 6.379 135 HE1 PHE 92 HE1 PHE 92 -4.319 3.759 11.207 136 HE2 PHE 92 HE2 PHE 92 -4.054 0.839 8.070 137 HZ PHE 92 HZ PHE 92 -4.195 1.389 10.480 138 H ASP 93 H ASP 93 -5.785 6.197 4.217 139 HA ASP 93 HA ASP 93 -4.522 8.602 3.613 140 1HB ASP 93 1HB ASP 93 -5.974 8.732 1.633 141 2HB ASP 93 2HB ASP 93 -5.472 7.060 1.907 142 H LYS 94 H LYS 94 -4.852 10.077 5.321 143 HA LYS 94 HA LYS 94 -7.111 10.932 6.604 144 1HB LYS 94 1HB LYS 94 -5.177 12.954 5.474 145 2HB LYS 94 2HB LYS 94 -6.033 13.003 7.016 146 1HG LYS 94 1HG LYS 94 -4.642 10.607 7.148 147 2HG LYS 94 2HG LYS 94 -3.508 11.686 6.335 148 1HD LYS 94 1HD LYS 94 -4.317 13.366 8.250 149 2HD LYS 94 2HD LYS 94 -4.631 11.850 9.096 150 1HE LYS 94 1HE LYS 94 -1.993 12.488 7.752 151 2HE LYS 94 2HE LYS 94 -2.310 12.792 9.459 152 1HZ LYS 94 1HZ LYS 94 -3.086 10.304 9.361 153 2HZ LYS 94 2HZ LYS 94 -2.018 10.248 8.044 154 3HZ LYS 94 3HZ LYS 94 -1.450 10.707 9.577 155 H ASP 95 H ASP 95 -6.020 12.606 3.621 156 HA ASP 95 HA ASP 95 -8.880 13.327 3.164 157 1HB ASP 95 1HB ASP 95 -6.561 14.922 3.186 158 2HB ASP 95 2HB ASP 95 -6.987 14.747 1.483 159 H GLY 96 H GLY 96 -8.181 10.777 2.465 160 1HA GLY 96 1HA GLY 96 -7.938 9.301 0.655 161 2HA GLY 96 2HA GLY 96 -8.976 10.465 -0.170 162 H ASN 97 H ASN 97 -5.630 10.746 1.018 163 HA ASN 97 HA ASN 97 -4.856 11.989 -1.534 164 1HB ASN 97 1HB ASN 97 -3.976 12.233 1.099 165 2HB ASN 97 2HB ASN 97 -2.675 11.347 0.304 166 1HD2 ASN 97 1HD2 ASN 97 -3.623 15.031 -1.286 167 2HD2 ASN 97 2HD2 ASN 97 -4.871 14.049 -0.687 168 H GLY 98 H GLY 98 -4.915 8.866 -0.158 169 1HA GLY 98 1HA GLY 98 -4.427 6.859 -1.347 170 2HA GLY 98 2HA GLY 98 -3.506 7.804 -2.517 171 H TYR 99 H TYR 99 -1.558 9.012 -1.272 172 HA TYR 99 HA TYR 99 0.141 6.857 -0.314 173 1HB TYR 99 1HB TYR 99 1.898 8.298 -0.679 174 2HB TYR 99 2HB TYR 99 0.695 9.043 -1.726 175 HD1 TYR 99 HD1 TYR 99 2.155 9.178 1.702 176 HD2 TYR 99 HD2 TYR 99 -0.050 11.264 -1.337 177 HE1 TYR 99 HE1 TYR 99 2.321 11.268 3.021 178 HE2 TYR 99 HE2 TYR 99 0.116 13.358 -0.018 179 HH TYR 99 HH TYR 99 2.003 13.494 2.987 180 H ILE 100 H ILE 100 0.343 6.203 1.693 181 HA ILE 100 HA ILE 100 -0.361 8.108 3.877 182 HB ILE 100 HB ILE 100 -0.584 5.692 5.073 183 1HG1 ILE 100 1HG1 ILE 100 -1.472 5.275 2.196 184 2HG1 ILE 100 2HG1 ILE 100 -0.172 4.407 3.020 185 1HG2 ILE 100 1HG2 ILE 100 -2.372 7.681 3.928 186 2HG2 ILE 100 2HG2 ILE 100 -3.114 6.081 3.945 187 3HG2 ILE 100 3HG2 ILE 100 -2.521 6.794 5.444 188 1HD1 ILE 100 1HD1 ILE 100 -2.741 4.390 4.461 189 2HD1 ILE 100 2HD1 ILE 100 -2.770 3.555 2.913 190 3HD1 ILE 100 3HD1 ILE 100 -1.615 3.074 4.152 191 H SER 101 H SER 101 0.831 7.345 6.012 192 HA SER 101 HA SER 101 3.651 7.536 5.485 193 1HB SER 101 1HB SER 101 2.472 8.370 7.549 194 2HB SER 101 2HB SER 101 2.316 6.693 8.067 195 HG SER 101 HG SER 101 4.188 7.398 8.957 196 H ALA 102 H ALA 102 5.275 5.956 6.401 197 HA ALA 102 HA ALA 102 4.860 3.326 5.287 198 1HB ALA 102 1HB ALA 102 7.077 4.742 6.008 199 2HB ALA 102 2HB ALA 102 6.937 3.647 7.383 200 3HB ALA 102 3HB ALA 102 7.083 2.997 5.749 201 H ALA 103 H ALA 103 4.247 4.789 8.370 202 HA ALA 103 HA ALA 103 4.061 2.335 9.893 203 1HB ALA 103 1HB ALA 103 3.977 5.028 10.515 204 2HB ALA 103 2HB ALA 103 2.293 4.542 10.720 205 3HB ALA 103 3HB ALA 103 3.564 3.724 11.630 206 H GLU 104 H GLU 104 1.970 4.149 7.758 207 HA GLU 104 HA GLU 104 -0.531 2.955 8.448 208 1HB GLU 104 1HB GLU 104 0.593 4.461 6.161 209 2HB GLU 104 2HB GLU 104 -0.759 3.397 5.762 210 1HG GLU 104 1HG GLU 104 -1.863 5.350 6.390 211 2HG GLU 104 2HG GLU 104 -1.849 4.453 7.907 212 H LEU 105 H LEU 105 1.759 2.110 5.829 213 HA LEU 105 HA LEU 105 0.429 -0.279 5.022 214 1HB LEU 105 1HB LEU 105 2.804 1.118 4.365 215 2HB LEU 105 2HB LEU 105 3.268 -0.544 4.733 216 HG LEU 105 HG LEU 105 0.847 -0.608 3.213 217 1HD1 LEU 105 1HD1 LEU 105 2.073 1.720 2.607 218 2HD1 LEU 105 2HD1 LEU 105 2.939 0.640 1.516 219 3HD1 LEU 105 3HD1 LEU 105 1.181 0.770 1.417 220 1HD2 LEU 105 1HD2 LEU 105 3.700 -1.513 2.947 221 2HD2 LEU 105 2HD2 LEU 105 2.228 -2.477 3.016 222 3HD2 LEU 105 3HD2 LEU 105 2.650 -1.618 1.535 223 H ARG 106 H ARG 106 3.012 0.316 7.393 224 HA ARG 106 HA ARG 106 3.631 -2.315 8.133 225 1HB ARG 106 1HB ARG 106 4.901 -0.533 9.095 226 2HB ARG 106 2HB ARG 106 3.459 0.208 9.789 227 1HG ARG 106 1HG ARG 106 4.191 -2.600 10.567 228 2HG ARG 106 2HG ARG 106 5.034 -1.244 11.316 229 1HD ARG 106 1HD ARG 106 2.194 -0.721 11.254 230 2HD ARG 106 2HD ARG 106 2.503 -2.277 12.026 231 HE ARG 106 HE ARG 106 4.005 0.144 12.915 232 1HH1 ARG 106 1HH1 ARG 106 4.752 -1.835 14.660 233 2HH1 ARG 106 2HH1 ARG 106 3.502 -1.968 15.851 234 1HH2 ARG 106 1HH2 ARG 106 1.135 -0.310 13.936 235 2HH2 ARG 106 2HH2 ARG 106 1.455 -1.105 15.441 236 H HIS 107 H HIS 107 0.687 -0.594 8.637 237 HA HIS 107 HA HIS 107 -0.240 -2.744 10.496 238 1HB HIS 107 1HB HIS 107 -0.317 -0.456 11.452 239 2HB HIS 107 2HB HIS 107 -1.358 0.050 10.120 240 HD1 HIS 107 HD1 HIS 107 -1.409 -1.674 13.386 241 HD2 HIS 107 HD2 HIS 107 -3.969 -1.265 10.122 242 HE1 HIS 107 HE1 HIS 107 -3.691 -2.452 14.163 243 H VAL 108 H VAL 108 -0.614 -1.431 7.356 244 HA VAL 108 HA VAL 108 -3.368 -2.494 7.074 245 HB VAL 108 HB VAL 108 -1.681 -1.249 4.901 246 1HG1 VAL 108 1HG1 VAL 108 -4.546 -1.971 5.349 247 2HG1 VAL 108 2HG1 VAL 108 -4.194 -0.546 4.377 248 3HG1 VAL 108 3HG1 VAL 108 -3.565 -2.118 3.891 249 1HG2 VAL 108 1HG2 VAL 108 -2.437 -0.001 7.305 250 2HG2 VAL 108 2HG2 VAL 108 -1.930 0.803 5.820 251 3HG2 VAL 108 3HG2 VAL 108 -3.643 0.517 6.126 252 H MET 109 H MET 109 -0.219 -2.919 5.400 253 HA MET 109 HA MET 109 -1.155 -5.154 3.882 254 1HB MET 109 1HB MET 109 1.189 -3.661 3.977 255 2HB MET 109 2HB MET 109 1.689 -5.278 4.478 256 1HG MET 109 1HG MET 109 0.693 -6.264 2.494 257 2HG MET 109 2HG MET 109 0.008 -4.709 2.023 258 1HE MET 109 1HE MET 109 3.354 -4.973 3.794 259 2HE MET 109 2HE MET 109 3.393 -6.509 2.935 260 3HE MET 109 3HE MET 109 4.542 -5.242 2.515 261 H THR 110 H THR 110 -0.590 -4.878 7.181 262 HA THR 110 HA THR 110 0.269 -7.682 7.529 263 HB THR 110 HB THR 110 1.343 -6.312 9.096 264 HG1 THR 110 HG1 THR 110 0.550 -7.036 10.994 265 1HG2 THR 110 1HG2 THR 110 -1.324 -4.913 9.322 266 2HG2 THR 110 2HG2 THR 110 -0.015 -4.641 10.473 267 3HG2 THR 110 3HG2 THR 110 0.211 -4.244 8.770 268 H ASN 111 H ASN 111 -2.680 -5.935 7.325 269 HA ASN 111 HA ASN 111 -4.060 -8.193 8.705 270 1HB ASN 111 1HB ASN 111 -6.048 -6.544 8.784 271 2HB ASN 111 2HB ASN 111 -4.713 -6.280 9.902 272 1HD2 ASN 111 1HD2 ASN 111 -4.645 -2.947 8.752 273 2HD2 ASN 111 2HD2 ASN 111 -4.875 -3.992 10.068 274 H LEU 112 H LEU 112 -4.109 -6.144 5.769 275 HA LEU 112 HA LEU 112 -6.417 -7.221 4.587 276 1HB LEU 112 1HB LEU 112 -5.036 -6.973 2.349 277 2HB LEU 112 2HB LEU 112 -5.567 -5.557 3.238 278 HG LEU 112 HG LEU 112 -3.420 -4.990 3.884 279 1HD1 LEU 112 1HD1 LEU 112 -2.976 -7.953 3.950 280 2HD1 LEU 112 2HD1 LEU 112 -1.579 -6.922 3.706 281 3HD1 LEU 112 3HD1 LEU 112 -2.554 -6.745 5.154 282 1HD2 LEU 112 1HD2 LEU 112 -3.360 -6.480 1.294 283 2HD2 LEU 112 2HD2 LEU 112 -3.135 -4.759 1.608 284 3HD2 LEU 112 3HD2 LEU 112 -1.835 -5.897 1.963 285 H GLY 113 H GLY 113 -5.947 -8.663 2.354 286 1HA GLY 113 1HA GLY 113 -5.748 -11.321 3.274 287 2HA GLY 113 2HA GLY 113 -5.560 -10.847 1.589 288 H GLU 114 H GLU 114 -3.190 -9.090 2.503 289 HA GLU 114 HA GLU 114 -1.165 -11.098 1.983 290 1HB GLU 114 1HB GLU 114 -0.625 -8.322 3.043 291 2HB GLU 114 2HB GLU 114 0.407 -9.320 2.020 292 1HG GLU 114 1HG GLU 114 -2.273 -8.161 1.192 293 2HG GLU 114 2HG GLU 114 -0.696 -7.537 0.711 294 H LYS 115 H LYS 115 -1.721 -8.992 4.838 295 HA LYS 115 HA LYS 115 -0.856 -9.224 7.018 296 1HB LYS 115 1HB LYS 115 -1.458 -11.600 7.925 297 2HB LYS 115 2HB LYS 115 -2.763 -10.531 7.418 298 1HG LYS 115 1HG LYS 115 -2.790 -11.635 5.197 299 2HG LYS 115 2HG LYS 115 -1.519 -12.731 5.743 300 1HD LYS 115 1HD LYS 115 -3.635 -12.708 7.687 301 2HD LYS 115 2HD LYS 115 -4.318 -13.026 6.092 302 1HE LYS 115 1HE LYS 115 -1.807 -14.464 6.831 303 2HE LYS 115 2HE LYS 115 -3.308 -14.994 7.591 304 1HZ LYS 115 1HZ LYS 115 -3.320 -14.522 4.705 305 2HZ LYS 115 2HZ LYS 115 -2.549 -15.923 5.272 306 3HZ LYS 115 3HZ LYS 115 -4.190 -15.656 5.622 307 H LEU 116 H LEU 116 1.407 -9.011 6.417 308 HA LEU 116 HA LEU 116 2.865 -11.618 6.420 309 1HB LEU 116 1HB LEU 116 4.711 -10.299 5.301 310 2HB LEU 116 2HB LEU 116 3.245 -10.466 4.334 311 HG LEU 116 HG LEU 116 3.403 -8.086 6.130 312 1HD1 LEU 116 1HD1 LEU 116 5.101 -8.489 3.655 313 2HD1 LEU 116 2HD1 LEU 116 4.674 -6.892 4.267 314 3HD1 LEU 116 3HD1 LEU 116 5.630 -7.990 5.260 315 1HD2 LEU 116 1HD2 LEU 116 1.474 -8.652 4.594 316 2HD2 LEU 116 2HD2 LEU 116 2.187 -7.067 4.294 317 3HD2 LEU 116 3HD2 LEU 116 2.566 -8.419 3.229 318 H THR 117 H THR 117 5.077 -9.164 6.748 319 HA THR 117 HA THR 117 4.949 -9.354 9.728 320 HB THR 117 HB THR 117 7.555 -8.661 8.575 321 HG1 THR 117 HG1 THR 117 7.617 -11.139 8.111 322 1HG2 THR 117 1HG2 THR 117 6.408 -10.583 10.580 323 2HG2 THR 117 2HG2 THR 117 8.078 -10.764 10.042 324 3HG2 THR 117 3HG2 THR 117 7.563 -9.274 10.833 325 H ASP 118 H ASP 118 5.954 -7.405 10.823 326 HA ASP 118 HA ASP 118 4.968 -4.975 9.494 327 1HB ASP 118 1HB ASP 118 6.283 -5.358 12.204 328 2HB ASP 118 2HB ASP 118 5.529 -3.868 11.637 329 H GLU 119 H GLU 119 8.079 -6.396 10.435 330 HA GLU 119 HA GLU 119 9.580 -4.019 9.630 331 1HB GLU 119 1HB GLU 119 11.555 -5.648 9.797 332 2HB GLU 119 2HB GLU 119 10.645 -5.383 11.285 333 1HG GLU 119 1HG GLU 119 9.727 -7.493 11.265 334 2HG GLU 119 2HG GLU 119 9.723 -7.587 9.502 335 H GLU 120 H GLU 120 8.394 -6.933 8.157 336 HA GLU 120 HA GLU 120 10.068 -6.815 5.786 337 1HB GLU 120 1HB GLU 120 9.091 -8.933 6.238 338 2HB GLU 120 2HB GLU 120 7.500 -8.233 6.521 339 1HG GLU 120 1HG GLU 120 7.334 -9.219 4.379 340 2HG GLU 120 2HG GLU 120 7.581 -7.507 4.041 341 H VAL 121 H VAL 121 6.643 -6.054 6.405 342 HA VAL 121 HA VAL 121 6.089 -4.794 3.930 343 HB VAL 121 HB VAL 121 4.260 -5.331 5.393 344 1HG1 VAL 121 1HG1 VAL 121 5.906 -4.789 7.450 345 2HG1 VAL 121 2HG1 VAL 121 4.978 -3.294 7.432 346 3HG1 VAL 121 3HG1 VAL 121 4.154 -4.843 7.627 347 1HG2 VAL 121 1HG2 VAL 121 4.226 -3.115 4.049 348 2HG2 VAL 121 2HG2 VAL 121 3.016 -3.321 5.316 349 3HG2 VAL 121 3HG2 VAL 121 4.444 -2.328 5.612 350 H ASP 122 H ASP 122 7.132 -3.320 7.019 351 HA ASP 122 HA ASP 122 7.235 -0.640 6.067 352 1HB ASP 122 1HB ASP 122 7.463 -1.620 8.491 353 2HB ASP 122 2HB ASP 122 9.187 -1.646 8.116 354 H GLU 123 H GLU 123 9.691 -3.209 6.037 355 HA GLU 123 HA GLU 123 11.754 -1.471 4.957 356 1HB GLU 123 1HB GLU 123 12.030 -3.708 6.266 357 2HB GLU 123 2HB GLU 123 11.764 -4.473 4.699 358 1HG GLU 123 1HG GLU 123 13.648 -3.289 3.734 359 2HG GLU 123 2HG GLU 123 13.860 -2.343 5.208 360 H MET 124 H MET 124 9.005 -2.921 3.623 361 HA MET 124 HA MET 124 10.205 -3.150 0.923 362 1HB MET 124 1HB MET 124 8.411 -4.751 2.103 363 2HB MET 124 2HB MET 124 7.291 -3.589 1.389 364 1HG MET 124 1HG MET 124 7.622 -4.435 -0.670 365 2HG MET 124 2HG MET 124 9.370 -4.299 -0.497 366 1HE MET 124 1HE MET 124 10.816 -5.599 0.311 367 2HE MET 124 2HE MET 124 10.448 -6.673 1.658 368 3HE MET 124 3HE MET 124 10.813 -7.343 0.062 369 H ILE 125 H ILE 125 8.567 -0.865 2.848 370 HA ILE 125 HA ILE 125 7.077 0.446 0.741 371 HB ILE 125 HB ILE 125 7.416 0.748 3.564 372 1HG1 ILE 125 1HG1 ILE 125 5.526 2.602 2.633 373 2HG1 ILE 125 2HG1 ILE 125 5.539 1.308 1.432 374 1HG2 ILE 125 1HG2 ILE 125 7.822 3.337 2.031 375 2HG2 ILE 125 2HG2 ILE 125 7.497 3.211 3.760 376 3HG2 ILE 125 3HG2 ILE 125 9.003 2.576 3.097 377 1HD1 ILE 125 1HD1 ILE 125 5.634 -0.119 3.763 378 2HD1 ILE 125 2HD1 ILE 125 4.650 1.263 4.244 379 3HD1 ILE 125 3HD1 ILE 125 4.154 0.257 2.885 380 H ARG 126 H ARG 126 10.358 0.725 2.014 381 HA ARG 126 HA ARG 126 11.134 3.143 0.766 382 1HB ARG 126 1HB ARG 126 13.434 1.920 0.623 383 2HB ARG 126 2HB ARG 126 12.735 2.192 2.219 384 1HG ARG 126 1HG ARG 126 12.027 -0.050 2.428 385 2HG ARG 126 2HG ARG 126 12.180 -0.350 0.695 386 1HD ARG 126 1HD ARG 126 14.062 -1.406 1.762 387 2HD ARG 126 2HD ARG 126 14.670 0.033 0.945 388 HE ARG 126 HE ARG 126 13.949 0.592 3.697 389 1HH1 ARG 126 1HH1 ARG 126 16.101 -1.599 2.314 390 2HH1 ARG 126 2HH1 ARG 126 17.516 -0.955 3.079 391 1HH2 ARG 126 1HH2 ARG 126 15.874 1.801 4.393 392 2HH2 ARG 126 2HH2 ARG 126 17.387 0.969 4.256 393 H GLU 127 H GLU 127 10.211 0.128 -0.582 394 HA GLU 127 HA GLU 127 11.618 0.456 -3.115 395 1HB GLU 127 1HB GLU 127 9.508 -1.421 -2.060 396 2HB GLU 127 2HB GLU 127 9.919 -1.400 -3.777 397 1HG GLU 127 1HG GLU 127 12.383 -1.590 -2.959 398 2HG GLU 127 2HG GLU 127 11.669 -2.118 -1.434 399 H ALA 128 H ALA 128 8.316 1.087 -1.881 400 HA ALA 128 HA ALA 128 7.497 2.012 -4.571 401 1HB ALA 128 1HB ALA 128 6.165 1.120 -2.144 402 2HB ALA 128 2HB ALA 128 5.451 2.607 -2.769 403 3HB ALA 128 3HB ALA 128 5.552 1.177 -3.797 404 H ASP 129 H ASP 129 7.472 3.434 -1.272 405 HA ASP 129 HA ASP 129 6.877 6.071 -2.067 406 1HB ASP 129 1HB ASP 129 6.808 5.446 0.272 407 2HB ASP 129 2HB ASP 129 8.536 5.089 0.266 408 H ILE 130 H ILE 130 10.147 4.959 -1.150 409 HA ILE 130 HA ILE 130 12.230 5.912 -1.722 410 HB ILE 130 HB ILE 130 12.659 5.899 -4.136 411 1HG1 ILE 130 1HG1 ILE 130 9.703 5.404 -4.524 412 2HG1 ILE 130 2HG1 ILE 130 10.412 7.013 -4.660 413 1HG2 ILE 130 1HG2 ILE 130 10.909 3.702 -3.033 414 2HG2 ILE 130 2HG2 ILE 130 11.638 3.589 -4.634 415 3HG2 ILE 130 3HG2 ILE 130 12.663 3.719 -3.206 416 1HD1 ILE 130 1HD1 ILE 130 11.975 5.083 -6.154 417 2HD1 ILE 130 2HD1 ILE 130 10.290 5.053 -6.674 418 3HD1 ILE 130 3HD1 ILE 130 11.203 6.562 -6.722 419 H ASP 131 H ASP 131 10.136 7.834 -0.963 420 HA ASP 131 HA ASP 131 9.629 10.132 -1.159 421 1HB ASP 131 1HB ASP 131 12.625 10.066 -1.611 422 2HB ASP 131 2HB ASP 131 11.705 11.523 -1.232 423 H GLY 132 H GLY 132 8.427 9.806 -3.210 424 1HA GLY 132 1HA GLY 132 9.768 11.276 -5.429 425 2HA GLY 132 2HA GLY 132 8.941 9.758 -5.785 426 H ASP 133 H ASP 133 6.720 9.945 -4.178 427 HA ASP 133 HA ASP 133 5.375 12.516 -4.519 428 1HB ASP 133 1HB ASP 133 5.317 11.243 -6.805 429 2HB ASP 133 2HB ASP 133 4.142 10.200 -6.002 430 H GLY 134 H GLY 134 4.868 12.352 -2.305 431 1HA GLY 134 1HA GLY 134 3.614 11.643 -0.442 432 2HA GLY 134 2HA GLY 134 2.576 10.768 -1.579 433 H GLN 135 H GLN 135 4.033 10.018 1.076 434 HA GLN 135 HA GLN 135 6.075 8.205 0.875 435 1HB GLN 135 1HB GLN 135 3.462 7.982 2.369 436 2HB GLN 135 2HB GLN 135 4.712 6.745 2.522 437 1HG GLN 135 1HG GLN 135 4.994 9.700 3.143 438 2HG GLN 135 2HG GLN 135 5.014 8.372 4.303 439 1HE2 GLN 135 1HE2 GLN 135 8.428 9.401 2.442 440 2HE2 GLN 135 2HE2 GLN 135 7.009 10.325 2.328 441 H VAL 136 H VAL 136 3.040 6.426 1.058 442 HA VAL 136 HA VAL 136 3.640 5.267 -1.627 443 HB VAL 136 HB VAL 136 4.635 3.681 -0.141 444 1HG1 VAL 136 1HG1 VAL 136 3.311 4.704 1.850 445 2HG1 VAL 136 2HG1 VAL 136 2.088 3.500 1.451 446 3HG1 VAL 136 3HG1 VAL 136 3.713 2.988 1.909 447 1HG2 VAL 136 1HG2 VAL 136 2.253 3.074 -1.622 448 2HG2 VAL 136 2HG2 VAL 136 3.641 2.037 -1.313 449 3HG2 VAL 136 3HG2 VAL 136 2.291 2.064 -0.180 450 H ASN 137 H ASN 137 1.816 5.673 -2.775 451 HA ASN 137 HA ASN 137 -0.763 5.800 -1.385 452 1HB ASN 137 1HB ASN 137 -1.624 6.826 -3.277 453 2HB ASN 137 2HB ASN 137 0.059 7.338 -3.337 454 1HD2 ASN 137 1HD2 ASN 137 0.813 4.944 -6.027 455 2HD2 ASN 137 2HD2 ASN 137 1.484 5.450 -4.555 456 H TYR 138 H TYR 138 -2.304 4.779 -3.632 457 HA TYR 138 HA TYR 138 -2.202 1.963 -2.858 458 1HB TYR 138 1HB TYR 138 -3.871 3.184 -5.058 459 2HB TYR 138 2HB TYR 138 -4.206 1.736 -4.121 460 HD1 TYR 138 HD1 TYR 138 -2.987 3.467 -1.567 461 HD2 TYR 138 HD2 TYR 138 -6.219 3.822 -4.363 462 HE1 TYR 138 HE1 TYR 138 -4.258 4.800 0.090 463 HE2 TYR 138 HE2 TYR 138 -7.497 5.163 -2.717 464 HH TYR 138 HH TYR 138 -6.890 6.662 -0.695 465 H GLU 139 H GLU 139 -1.870 3.749 -5.896 466 HA GLU 139 HA GLU 139 -1.266 1.645 -7.603 467 1HB GLU 139 1HB GLU 139 0.318 4.200 -7.787 468 2HB GLU 139 2HB GLU 139 -0.353 3.221 -9.090 469 1HG GLU 139 1HG GLU 139 -2.590 3.939 -7.605 470 2HG GLU 139 2HG GLU 139 -1.590 5.393 -7.577 471 H GLU 140 H GLU 140 0.793 3.180 -5.199 472 HA GLU 140 HA GLU 140 3.108 1.530 -6.054 473 1HB GLU 140 1HB GLU 140 2.803 4.084 -4.796 474 2HB GLU 140 2HB GLU 140 3.671 3.023 -3.685 475 1HG GLU 140 1HG GLU 140 5.472 3.701 -4.932 476 2HG GLU 140 2HG GLU 140 4.939 2.387 -5.981 477 H PHE 141 H PHE 141 0.684 1.786 -3.578 478 HA PHE 141 HA PHE 141 1.955 0.039 -1.641 479 1HB PHE 141 1HB PHE 141 0.177 1.576 -0.966 480 2HB PHE 141 2HB PHE 141 -0.956 0.800 -2.070 481 HD1 PHE 141 HD1 PHE 141 1.536 -1.150 -0.218 482 HD2 PHE 141 HD2 PHE 141 -2.524 0.241 -0.263 483 HE1 PHE 141 HE1 PHE 141 0.961 -2.757 1.568 484 HE2 PHE 141 HE2 PHE 141 -3.102 -1.368 1.535 485 HZ PHE 141 HZ PHE 141 -1.346 -2.866 2.459 486 H VAL 142 H VAL 142 0.447 -0.468 -4.653 487 HA VAL 142 HA VAL 142 -0.411 -3.218 -4.060 488 HB VAL 142 HB VAL 142 -1.719 -1.912 -5.661 489 1HG1 VAL 142 1HG1 VAL 142 0.936 -1.213 -6.612 490 2HG1 VAL 142 2HG1 VAL 142 -0.082 -1.782 -7.934 491 3HG1 VAL 142 3HG1 VAL 142 -0.607 -0.425 -6.939 492 1HG2 VAL 142 1HG2 VAL 142 -0.902 -4.481 -6.011 493 2HG2 VAL 142 2HG2 VAL 142 -2.049 -3.676 -7.082 494 3HG2 VAL 142 3HG2 VAL 142 -0.344 -3.767 -7.524 495 H GLN 143 H GLN 143 2.524 -1.772 -4.508 496 HA GLN 143 HA GLN 143 3.670 -3.850 -6.260 497 1HB GLN 143 1HB GLN 143 4.398 -1.472 -6.444 498 2HB GLN 143 2HB GLN 143 5.036 -1.569 -4.802 499 1HG GLN 143 1HG GLN 143 6.147 -3.794 -5.995 500 2HG GLN 143 2HG GLN 143 6.161 -2.614 -7.307 501 1HE2 GLN 143 1HE2 GLN 143 8.083 -0.273 -5.099 502 2HE2 GLN 143 2HE2 GLN 143 6.563 -0.218 -5.854 503 H MET 144 H MET 144 3.470 -3.069 -2.837 504 HA MET 144 HA MET 144 5.551 -5.069 -2.219 505 1HB MET 144 1HB MET 144 4.338 -4.332 0.198 506 2HB MET 144 2HB MET 144 5.885 -3.778 -0.427 507 1HG MET 144 1HG MET 144 4.554 -2.065 -1.761 508 2HG MET 144 2HG MET 144 3.181 -2.475 -0.724 509 1HE MET 144 1HE MET 144 4.524 -0.073 -1.475 510 2HE MET 144 2HE MET 144 3.917 0.735 -0.032 511 3HE MET 144 3HE MET 144 5.643 0.743 -0.371 512 H MET 145 H MET 145 2.058 -4.761 -2.137 513 HA MET 145 HA MET 145 1.679 -7.187 -0.562 514 1HB MET 145 1HB MET 145 -0.690 -6.880 -1.033 515 2HB MET 145 2HB MET 145 0.021 -5.323 -0.604 516 1HG MET 145 1HG MET 145 -0.316 -4.461 -2.680 517 2HG MET 145 2HG MET 145 0.134 -5.967 -3.481 518 1HE MET 145 1HE MET 145 -2.334 -4.606 -0.938 519 2HE MET 145 2HE MET 145 -3.836 -5.474 -1.246 520 3HE MET 145 3HE MET 145 -2.434 -6.330 -0.590 521 H THR 146 H THR 146 2.942 -6.910 -3.530 522 HA THR 146 HA THR 146 2.227 -9.629 -4.253 523 HB THR 146 HB THR 146 0.229 -8.613 -5.139 524 HG1 THR 146 HG1 THR 146 0.444 -9.434 -7.082 525 1HG2 THR 146 1HG2 THR 146 2.115 -6.616 -6.416 526 2HG2 THR 146 2HG2 THR 146 0.389 -6.718 -6.760 527 3HG2 THR 146 3HG2 THR 146 0.941 -6.288 -5.141 528 H ALA 147 H ALA 147 4.577 -7.779 -3.826 529 HA ALA 147 HA ALA 147 5.897 -7.252 -6.290 530 1HB ALA 147 1HB ALA 147 6.621 -6.469 -3.991 531 2HB ALA 147 2HB ALA 147 7.245 -8.094 -3.711 532 3HB ALA 147 3HB ALA 147 7.925 -7.099 -4.998 533 H LYS 148 H LYS 148 8.300 -8.654 -6.252 534 HA LYS 148 HA LYS 148 7.402 -11.265 -7.287 535 1HB LYS 148 1HB LYS 148 9.935 -9.661 -7.422 536 2HB LYS 148 2HB LYS 148 10.001 -11.395 -7.737 537 1HG LYS 148 1HG LYS 148 9.197 -11.063 -9.809 538 2HG LYS 148 2HG LYS 148 7.747 -10.319 -9.133 539 1HD LYS 148 1HD LYS 148 10.140 -8.594 -9.077 540 2HD LYS 148 2HD LYS 148 9.566 -8.997 -10.696 541 1HE LYS 148 1HE LYS 148 7.281 -8.268 -10.039 542 2HE LYS 148 2HE LYS 148 7.907 -7.795 -8.460 543 1HZ LYS 148 1HZ LYS 148 8.925 -6.733 -11.037 544 2HZ LYS 148 2HZ LYS 148 7.762 -5.948 -10.079 545 3HZ LYS 148 3HZ LYS 148 9.328 -6.195 -9.476 No H/Q in entry = 545 Start of MODEL 7 Raw file had 555 H/Q atoms Start of MODEL 7 1 1H MET 76 1H MET 76 -8.045 4.826 -20.474 2 2H MET 76 2H MET 76 -7.116 5.980 -21.306 3 3H MET 76 3H MET 76 -6.377 4.584 -20.689 4 HA MET 76 HA MET 76 -5.791 6.199 -19.151 5 1HB MET 76 1HB MET 76 -7.517 7.783 -18.244 6 2HB MET 76 2HB MET 76 -7.217 7.987 -19.970 7 1HG MET 76 1HG MET 76 -9.287 6.001 -19.470 8 2HG MET 76 2HG MET 76 -9.703 7.564 -18.768 9 1HE MET 76 1HE MET 76 -11.658 7.338 -20.155 10 2HE MET 76 2HE MET 76 -11.314 9.053 -20.361 11 3HE MET 76 3HE MET 76 -11.799 8.070 -21.750 12 H LYS 77 H LYS 77 -6.820 3.458 -19.031 13 HA LYS 77 HA LYS 77 -8.628 3.169 -16.809 14 1HB LYS 77 1HB LYS 77 -6.718 1.358 -18.255 15 2HB LYS 77 2HB LYS 77 -7.417 0.825 -16.725 16 1HG LYS 77 1HG LYS 77 -9.382 2.020 -18.554 17 2HG LYS 77 2HG LYS 77 -8.626 0.560 -19.191 18 1HD LYS 77 1HD LYS 77 -9.163 -0.606 -17.051 19 2HD LYS 77 2HD LYS 77 -10.015 0.840 -16.512 20 1HE LYS 77 1HE LYS 77 -11.622 0.655 -18.292 21 2HE LYS 77 2HE LYS 77 -10.687 -0.615 -19.079 22 1HZ LYS 77 1HZ LYS 77 -11.708 -0.933 -16.325 23 2HZ LYS 77 2HZ LYS 77 -12.669 -1.313 -17.673 24 3HZ LYS 77 3HZ LYS 77 -11.209 -2.136 -17.417 25 H ASP 78 H ASP 78 -7.817 1.965 -14.744 26 HA ASP 78 HA ASP 78 -5.152 2.273 -13.805 27 1HB ASP 78 1HB ASP 78 -5.954 4.732 -14.098 28 2HB ASP 78 2HB ASP 78 -6.921 4.425 -12.655 29 H THR 79 H THR 79 -8.592 2.360 -12.951 30 HA THR 79 HA THR 79 -8.019 1.074 -10.348 31 HB THR 79 HB THR 79 -10.688 1.798 -11.594 32 HG1 THR 79 HG1 THR 79 -10.429 3.726 -10.753 33 1HG2 THR 79 1HG2 THR 79 -10.308 0.094 -9.565 34 2HG2 THR 79 2HG2 THR 79 -10.206 1.603 -8.658 35 3HG2 THR 79 3HG2 THR 79 -11.658 1.230 -9.586 36 H ASP 80 H ASP 80 -7.115 -0.703 -12.039 37 HA ASP 80 HA ASP 80 -9.331 -2.688 -12.359 38 1HB ASP 80 1HB ASP 80 -8.278 -3.516 -14.374 39 2HB ASP 80 2HB ASP 80 -8.467 -1.770 -14.544 40 H SER 81 H SER 81 -7.804 -2.502 -10.005 41 HA SER 81 HA SER 81 -6.924 -5.150 -9.621 42 1HB SER 81 1HB SER 81 -4.353 -4.114 -9.401 43 2HB SER 81 2HB SER 81 -4.929 -5.177 -10.681 44 HG SER 81 HG SER 81 -4.631 -3.550 -11.963 45 H GLU 82 H GLU 82 -6.580 -1.754 -8.741 46 HA GLU 82 HA GLU 82 -5.841 -2.478 -5.977 47 1HB GLU 82 1HB GLU 82 -6.562 0.302 -6.885 48 2HB GLU 82 2HB GLU 82 -5.451 -0.191 -5.605 49 1HG GLU 82 1HG GLU 82 -3.739 -0.145 -7.059 50 2HG GLU 82 2HG GLU 82 -4.547 -1.351 -8.060 51 H GLU 83 H GLU 83 -8.513 -3.172 -7.247 52 HA GLU 83 HA GLU 83 -10.498 -1.528 -5.936 53 1HB GLU 83 1HB GLU 83 -12.090 -3.165 -6.648 54 2HB GLU 83 2HB GLU 83 -10.889 -3.054 -7.938 55 1HG GLU 83 1HG GLU 83 -9.686 -4.981 -6.912 56 2HG GLU 83 2HG GLU 83 -11.001 -5.134 -5.749 57 H GLU 84 H GLU 84 -8.621 -4.343 -5.063 58 HA GLU 84 HA GLU 84 -10.126 -4.675 -2.529 59 1HB GLU 84 1HB GLU 84 -8.643 -6.410 -4.234 60 2HB GLU 84 2HB GLU 84 -7.777 -6.328 -2.699 61 1HG GLU 84 1HG GLU 84 -9.394 -7.470 -1.600 62 2HG GLU 84 2HG GLU 84 -10.683 -6.539 -2.363 63 H ILE 85 H ILE 85 -6.971 -3.695 -3.767 64 HA ILE 85 HA ILE 85 -5.624 -3.378 -1.259 65 HB ILE 85 HB ILE 85 -5.291 -1.998 -3.939 66 1HG1 ILE 85 1HG1 ILE 85 -3.089 -3.600 -3.355 67 2HG1 ILE 85 2HG1 ILE 85 -4.458 -4.540 -2.763 68 1HG2 ILE 85 1HG2 ILE 85 -3.489 -1.947 -1.502 69 2HG2 ILE 85 2HG2 ILE 85 -3.088 -1.280 -3.084 70 3HG2 ILE 85 3HG2 ILE 85 -4.399 -0.578 -2.139 71 1HD1 ILE 85 1HD1 ILE 85 -5.587 -4.159 -4.977 72 2HD1 ILE 85 2HD1 ILE 85 -4.096 -3.413 -5.551 73 3HD1 ILE 85 3HD1 ILE 85 -4.109 -5.115 -5.088 74 H ARG 86 H ARG 86 -7.068 -0.828 -3.340 75 HA ARG 86 HA ARG 86 -6.902 1.336 -1.682 76 1HB ARG 86 1HB ARG 86 -8.284 0.762 -3.976 77 2HB ARG 86 2HB ARG 86 -9.590 1.071 -2.830 78 1HG ARG 86 1HG ARG 86 -7.235 2.899 -3.338 79 2HG ARG 86 2HG ARG 86 -8.853 3.134 -3.990 80 1HD ARG 86 1HD ARG 86 -9.778 3.591 -1.879 81 2HD ARG 86 2HD ARG 86 -8.436 2.835 -1.024 82 HE ARG 86 HE ARG 86 -7.516 4.996 -0.975 83 1HH1 ARG 86 1HH1 ARG 86 -10.094 5.519 -2.897 84 2HH1 ARG 86 2HH1 ARG 86 -9.318 6.572 -4.032 85 1HH2 ARG 86 1HH2 ARG 86 -6.119 5.895 -2.877 86 2HH2 ARG 86 2HH2 ARG 86 -7.068 6.785 -4.020 87 H GLU 87 H GLU 87 -9.316 -1.265 -1.381 88 HA GLU 87 HA GLU 87 -10.705 -0.018 0.816 89 1HB GLU 87 1HB GLU 87 -11.800 -1.813 -0.383 90 2HB GLU 87 2HB GLU 87 -10.466 -2.918 -0.050 91 1HG GLU 87 1HG GLU 87 -11.299 -3.446 1.976 92 2HG GLU 87 2HG GLU 87 -11.518 -1.748 2.397 93 H ALA 88 H ALA 88 -8.087 -2.430 0.633 94 HA ALA 88 HA ALA 88 -7.727 -2.350 3.561 95 1HB ALA 88 1HB ALA 88 -6.707 -3.987 1.300 96 2HB ALA 88 2HB ALA 88 -5.597 -3.760 2.652 97 3HB ALA 88 3HB ALA 88 -7.181 -4.486 2.923 98 H PHE 89 H PHE 89 -7.378 0.103 3.124 99 HA PHE 89 HA PHE 89 -4.750 0.884 3.712 100 1HB PHE 89 1HB PHE 89 -4.773 0.043 1.089 101 2HB PHE 89 2HB PHE 89 -5.121 1.754 0.913 102 HD1 PHE 89 HD1 PHE 89 -3.031 0.063 3.501 103 HD2 PHE 89 HD2 PHE 89 -3.106 2.689 0.110 104 HE1 PHE 89 HE1 PHE 89 -0.640 0.587 3.855 105 HE2 PHE 89 HE2 PHE 89 -0.720 3.204 0.452 106 HZ PHE 89 HZ PHE 89 0.519 2.152 2.330 107 H ARG 90 H ARG 90 -7.826 1.543 2.212 108 HA ARG 90 HA ARG 90 -7.747 4.388 2.283 109 1HB ARG 90 1HB ARG 90 -10.174 4.244 2.052 110 2HB ARG 90 2HB ARG 90 -9.441 3.002 1.034 111 1HG ARG 90 1HG ARG 90 -10.389 1.335 2.217 112 2HG ARG 90 2HG ARG 90 -9.906 2.051 3.754 113 1HD ARG 90 1HD ARG 90 -12.347 1.964 3.613 114 2HD ARG 90 2HD ARG 90 -11.806 3.643 3.584 115 HE ARG 90 HE ARG 90 -12.001 2.765 0.895 116 1HH1 ARG 90 1HH1 ARG 90 -13.379 5.164 2.205 117 2HH1 ARG 90 2HH1 ARG 90 -15.045 4.772 1.938 118 1HH2 ARG 90 1HH2 ARG 90 -14.413 1.450 1.169 119 2HH2 ARG 90 2HH2 ARG 90 -15.630 2.669 1.350 120 H VAL 91 H VAL 91 -7.952 1.972 4.662 121 HA VAL 91 HA VAL 91 -9.484 3.080 6.693 122 HB VAL 91 HB VAL 91 -6.803 1.703 7.003 123 1HG1 VAL 91 1HG1 VAL 91 -9.013 2.449 8.865 124 2HG1 VAL 91 2HG1 VAL 91 -8.235 0.886 9.110 125 3HG1 VAL 91 3HG1 VAL 91 -7.276 2.365 9.157 126 1HG2 VAL 91 1HG2 VAL 91 -9.006 0.730 5.688 127 2HG2 VAL 91 2HG2 VAL 91 -7.817 -0.275 6.515 128 3HG2 VAL 91 3HG2 VAL 91 -9.310 0.179 7.336 129 H PHE 92 H PHE 92 -6.357 4.083 5.498 130 HA PHE 92 HA PHE 92 -6.149 6.077 7.704 131 1HB PHE 92 1HB PHE 92 -4.083 5.093 5.719 132 2HB PHE 92 2HB PHE 92 -3.787 6.243 7.026 133 HD1 PHE 92 HD1 PHE 92 -4.538 2.722 6.199 134 HD2 PHE 92 HD2 PHE 92 -3.802 5.545 9.355 135 HE1 PHE 92 HE1 PHE 92 -4.219 0.854 7.798 136 HE2 PHE 92 HE2 PHE 92 -3.478 3.675 10.953 137 HZ PHE 92 HZ PHE 92 -3.688 1.330 10.174 138 H ASP 93 H ASP 93 -5.982 5.760 4.151 139 HA ASP 93 HA ASP 93 -5.905 8.687 3.849 140 1HB ASP 93 1HB ASP 93 -5.617 6.322 2.065 141 2HB ASP 93 2HB ASP 93 -6.277 7.784 1.329 142 H LYS 94 H LYS 94 -8.149 8.034 5.242 143 HA LYS 94 HA LYS 94 -10.476 7.552 3.582 144 1HB LYS 94 1HB LYS 94 -10.236 8.806 6.333 145 2HB LYS 94 2HB LYS 94 -11.737 8.243 5.594 146 1HG LYS 94 1HG LYS 94 -10.517 5.966 5.342 147 2HG LYS 94 2HG LYS 94 -9.382 6.608 6.530 148 1HD LYS 94 1HD LYS 94 -10.826 5.925 8.123 149 2HD LYS 94 2HD LYS 94 -11.902 7.214 7.580 150 1HE LYS 94 1HE LYS 94 -12.764 5.584 5.821 151 2HE LYS 94 2HE LYS 94 -11.884 4.324 6.686 152 1HZ LYS 94 1HZ LYS 94 -13.120 5.216 8.725 153 2HZ LYS 94 2HZ LYS 94 -14.169 5.947 7.607 154 3HZ LYS 94 3HZ LYS 94 -13.987 4.260 7.619 155 H ASP 95 H ASP 95 -8.786 10.410 4.741 156 HA ASP 95 HA ASP 95 -10.837 12.281 3.927 157 1HB ASP 95 1HB ASP 95 -8.829 12.513 5.622 158 2HB ASP 95 2HB ASP 95 -7.948 13.042 4.184 159 H GLY 96 H GLY 96 -8.444 10.489 2.285 160 1HA GLY 96 1HA GLY 96 -8.428 10.361 -0.122 161 2HA GLY 96 2HA GLY 96 -9.053 12.008 -0.187 162 H ASN 97 H ASN 97 -6.229 10.625 1.526 163 HA ASN 97 HA ASN 97 -4.600 12.878 0.524 164 1HB ASN 97 1HB ASN 97 -4.527 11.133 2.804 165 2HB ASN 97 2HB ASN 97 -3.006 10.972 1.925 166 1HD2 ASN 97 1HD2 ASN 97 -2.960 13.961 4.303 167 2HD2 ASN 97 2HD2 ASN 97 -3.453 12.353 4.542 168 H GLY 98 H GLY 98 -4.772 9.352 0.251 169 1HA GLY 98 1HA GLY 98 -4.258 8.191 -1.809 170 2HA GLY 98 2HA GLY 98 -3.207 9.535 -2.263 171 H TYR 99 H TYR 99 -1.302 9.873 -0.776 172 HA TYR 99 HA TYR 99 0.017 7.277 -0.326 173 1HB TYR 99 1HB TYR 99 2.018 8.477 -0.372 174 2HB TYR 99 2HB TYR 99 0.992 9.442 -1.430 175 HD1 TYR 99 HD1 TYR 99 2.553 9.239 1.907 176 HD2 TYR 99 HD2 TYR 99 0.144 11.619 -0.738 177 HE1 TYR 99 HE1 TYR 99 2.863 11.203 3.389 178 HE2 TYR 99 HE2 TYR 99 0.455 13.582 0.745 179 HH TYR 99 HH TYR 99 2.390 13.337 3.734 180 H ILE 100 H ILE 100 0.635 6.500 1.676 181 HA ILE 100 HA ILE 100 -0.207 8.149 4.006 182 HB ILE 100 HB ILE 100 -0.456 5.680 5.015 183 1HG1 ILE 100 1HG1 ILE 100 -1.194 5.387 2.087 184 2HG1 ILE 100 2HG1 ILE 100 0.075 4.493 2.936 185 1HG2 ILE 100 1HG2 ILE 100 -2.098 7.739 4.552 186 2HG2 ILE 100 2HG2 ILE 100 -2.761 6.603 3.377 187 3HG2 ILE 100 3HG2 ILE 100 -2.700 6.170 5.085 188 1HD1 ILE 100 1HD1 ILE 100 -2.548 4.406 4.261 189 2HD1 ILE 100 2HD1 ILE 100 -2.514 3.644 2.679 190 3HD1 ILE 100 3HD1 ILE 100 -1.405 3.106 3.940 191 H SER 101 H SER 101 0.953 7.390 6.061 192 HA SER 101 HA SER 101 3.787 7.541 5.601 193 1HB SER 101 1HB SER 101 2.643 8.432 7.624 194 2HB SER 101 2HB SER 101 2.305 6.778 8.131 195 HG SER 101 HG SER 101 4.908 7.750 7.555 196 H ALA 102 H ALA 102 5.364 5.947 6.507 197 HA ALA 102 HA ALA 102 4.953 3.324 5.413 198 1HB ALA 102 1HB ALA 102 7.186 4.559 5.926 199 2HB ALA 102 2HB ALA 102 6.976 3.945 7.566 200 3HB ALA 102 3HB ALA 102 7.121 2.821 6.215 201 H ALA 103 H ALA 103 4.139 4.794 8.423 202 HA ALA 103 HA ALA 103 3.952 2.341 9.969 203 1HB ALA 103 1HB ALA 103 3.862 5.007 10.610 204 2HB ALA 103 2HB ALA 103 2.152 4.581 10.685 205 3HB ALA 103 3HB ALA 103 3.322 3.717 11.684 206 H GLU 104 H GLU 104 1.903 4.161 7.791 207 HA GLU 104 HA GLU 104 -0.605 2.925 8.360 208 1HB GLU 104 1HB GLU 104 0.562 4.569 6.243 209 2HB GLU 104 2HB GLU 104 -0.568 3.368 5.602 210 1HG GLU 104 1HG GLU 104 -2.209 4.786 6.210 211 2HG GLU 104 2HG GLU 104 -1.854 4.324 7.874 212 H LEU 105 H LEU 105 1.854 2.131 5.896 213 HA LEU 105 HA LEU 105 0.583 -0.266 4.981 214 1HB LEU 105 1HB LEU 105 2.886 1.196 4.346 215 2HB LEU 105 2HB LEU 105 3.481 -0.386 4.856 216 HG LEU 105 HG LEU 105 1.114 -0.646 3.204 217 1HD1 LEU 105 1HD1 LEU 105 2.940 1.425 2.430 218 2HD1 LEU 105 2HD1 LEU 105 3.084 0.087 1.290 219 3HD1 LEU 105 3HD1 LEU 105 1.514 0.839 1.573 220 1HD2 LEU 105 1HD2 LEU 105 4.009 -1.544 2.963 221 2HD2 LEU 105 2HD2 LEU 105 2.677 -2.476 3.644 222 3HD2 LEU 105 3HD2 LEU 105 2.712 -2.113 1.917 223 H ARG 106 H ARG 106 3.121 0.294 7.432 224 HA ARG 106 HA ARG 106 3.576 -2.406 8.135 225 1HB ARG 106 1HB ARG 106 5.022 -0.773 9.094 226 2HB ARG 106 2HB ARG 106 3.669 0.146 9.752 227 1HG ARG 106 1HG ARG 106 3.962 -2.694 10.629 228 2HG ARG 106 2HG ARG 106 5.101 -1.515 11.280 229 1HD ARG 106 1HD ARG 106 2.314 -0.580 11.276 230 2HD ARG 106 2HD ARG 106 2.586 -1.993 12.295 231 HE ARG 106 HE ARG 106 4.416 0.331 12.594 232 1HH1 ARG 106 1HH1 ARG 106 4.261 -2.045 14.483 233 2HH1 ARG 106 2HH1 ARG 106 3.357 -1.373 15.799 234 1HH2 ARG 106 1HH2 ARG 106 2.226 1.353 13.979 235 2HH2 ARG 106 2HH2 ARG 106 2.204 0.550 15.513 236 H HIS 107 H HIS 107 0.766 -0.479 8.556 237 HA HIS 107 HA HIS 107 -0.305 -2.413 10.559 238 1HB HIS 107 1HB HIS 107 -0.292 0.055 11.119 239 2HB HIS 107 2HB HIS 107 -1.449 0.287 9.810 240 HD1 HIS 107 HD1 HIS 107 -1.323 -0.384 13.338 241 HD2 HIS 107 HD2 HIS 107 -3.848 -1.540 10.229 242 HE1 HIS 107 HE1 HIS 107 -3.468 -1.188 14.419 243 H VAL 108 H VAL 108 -0.593 -1.411 7.257 244 HA VAL 108 HA VAL 108 -3.312 -2.607 7.064 245 HB VAL 108 HB VAL 108 -1.804 -1.409 4.748 246 1HG1 VAL 108 1HG1 VAL 108 -4.556 -2.255 5.435 247 2HG1 VAL 108 2HG1 VAL 108 -4.440 -0.735 4.553 248 3HG1 VAL 108 3HG1 VAL 108 -3.750 -2.206 3.868 249 1HG2 VAL 108 1HG2 VAL 108 -2.498 -0.049 7.168 250 2HG2 VAL 108 2HG2 VAL 108 -1.884 0.650 5.671 251 3HG2 VAL 108 3HG2 VAL 108 -3.621 0.478 5.915 252 H MET 109 H MET 109 -0.098 -2.936 5.506 253 HA MET 109 HA MET 109 -0.823 -5.228 4.013 254 1HB MET 109 1HB MET 109 1.678 -3.890 4.769 255 2HB MET 109 2HB MET 109 1.860 -5.627 4.610 256 1HG MET 109 1HG MET 109 1.399 -3.575 2.526 257 2HG MET 109 2HG MET 109 2.278 -5.091 2.433 258 1HE MET 109 1HE MET 109 1.577 -5.442 0.135 259 2HE MET 109 2HE MET 109 -0.072 -5.602 -0.473 260 3HE MET 109 3HE MET 109 0.535 -4.025 0.009 261 H THR 110 H THR 110 -0.500 -4.870 7.361 262 HA THR 110 HA THR 110 0.325 -7.659 7.833 263 HB THR 110 HB THR 110 1.210 -6.103 9.401 264 HG1 THR 110 HG1 THR 110 0.587 -7.829 10.551 265 1HG2 THR 110 1HG2 THR 110 -1.550 -4.986 9.263 266 2HG2 THR 110 2HG2 THR 110 -0.672 -4.804 10.782 267 3HG2 THR 110 3HG2 THR 110 0.001 -4.147 9.290 268 H ASN 111 H ASN 111 -2.618 -6.049 7.255 269 HA ASN 111 HA ASN 111 -4.079 -8.273 8.599 270 1HB ASN 111 1HB ASN 111 -6.064 -6.632 8.551 271 2HB ASN 111 2HB ASN 111 -4.789 -6.331 9.728 272 1HD2 ASN 111 1HD2 ASN 111 -4.477 -3.053 8.505 273 2HD2 ASN 111 2HD2 ASN 111 -4.624 -4.083 9.846 274 H LEU 112 H LEU 112 -3.996 -6.218 5.651 275 HA LEU 112 HA LEU 112 -6.231 -7.492 4.415 276 1HB LEU 112 1HB LEU 112 -5.060 -6.853 2.209 277 2HB LEU 112 2HB LEU 112 -5.520 -5.550 3.291 278 HG LEU 112 HG LEU 112 -3.317 -5.041 3.836 279 1HD1 LEU 112 1HD1 LEU 112 -2.705 -7.928 3.142 280 2HD1 LEU 112 2HD1 LEU 112 -1.449 -6.749 3.446 281 3HD1 LEU 112 3HD1 LEU 112 -2.583 -7.167 4.722 282 1HD2 LEU 112 1HD2 LEU 112 -3.896 -5.399 1.160 283 2HD2 LEU 112 2HD2 LEU 112 -2.485 -4.553 1.797 284 3HD2 LEU 112 3HD2 LEU 112 -2.363 -6.252 1.343 285 H GLY 113 H GLY 113 -5.426 -8.676 2.061 286 1HA GLY 113 1HA GLY 113 -4.941 -11.344 2.778 287 2HA GLY 113 2HA GLY 113 -4.597 -10.691 1.177 288 H GLU 114 H GLU 114 -2.550 -8.962 1.597 289 HA GLU 114 HA GLU 114 -0.204 -10.380 1.558 290 1HB GLU 114 1HB GLU 114 -0.939 -7.671 1.909 291 2HB GLU 114 2HB GLU 114 0.310 -8.025 3.105 292 1HG GLU 114 1HG GLU 114 0.507 -8.677 0.151 293 2HG GLU 114 2HG GLU 114 1.269 -7.287 0.923 294 H LYS 115 H LYS 115 -1.136 -8.688 4.569 295 HA LYS 115 HA LYS 115 -0.539 -9.191 6.791 296 1HB LYS 115 1HB LYS 115 -2.440 -10.794 6.141 297 2HB LYS 115 2HB LYS 115 -1.190 -12.028 5.984 298 1HG LYS 115 1HG LYS 115 -0.862 -12.168 8.235 299 2HG LYS 115 2HG LYS 115 -1.073 -10.432 8.472 300 1HD LYS 115 1HD LYS 115 -3.484 -10.643 8.320 301 2HD LYS 115 2HD LYS 115 -3.347 -12.347 7.884 302 1HE LYS 115 1HE LYS 115 -2.010 -11.531 10.407 303 2HE LYS 115 2HE LYS 115 -3.773 -11.517 10.421 304 1HZ LYS 115 1HZ LYS 115 -3.489 -13.825 9.313 305 2HZ LYS 115 2HZ LYS 115 -1.936 -13.774 10.002 306 3HZ LYS 115 3HZ LYS 115 -3.307 -13.674 10.996 307 H LEU 116 H LEU 116 1.784 -8.804 6.512 308 HA LEU 116 HA LEU 116 3.363 -11.343 6.466 309 1HB LEU 116 1HB LEU 116 5.248 -9.937 5.562 310 2HB LEU 116 2HB LEU 116 3.878 -10.077 4.462 311 HG LEU 116 HG LEU 116 4.046 -7.772 6.405 312 1HD1 LEU 116 1HD1 LEU 116 5.589 -8.217 3.875 313 2HD1 LEU 116 2HD1 LEU 116 4.956 -6.602 4.195 314 3HD1 LEU 116 3HD1 LEU 116 6.064 -7.359 5.341 315 1HD2 LEU 116 1HD2 LEU 116 2.314 -8.661 4.262 316 2HD2 LEU 116 2HD2 LEU 116 2.094 -7.313 5.377 317 3HD2 LEU 116 3HD2 LEU 116 2.987 -7.078 3.876 318 H THR 117 H THR 117 5.439 -8.840 7.106 319 HA THR 117 HA THR 117 4.957 -9.045 10.047 320 HB THR 117 HB THR 117 7.715 -8.441 9.321 321 HG1 THR 117 HG1 THR 117 7.023 -11.068 8.724 322 1HG2 THR 117 1HG2 THR 117 6.169 -10.251 11.103 323 2HG2 THR 117 2HG2 THR 117 7.805 -10.759 10.686 324 3HG2 THR 117 3HG2 THR 117 7.540 -9.204 11.474 325 H ASP 118 H ASP 118 6.264 -7.131 11.164 326 HA ASP 118 HA ASP 118 5.323 -4.668 9.831 327 1HB ASP 118 1HB ASP 118 6.328 -5.335 12.597 328 2HB ASP 118 2HB ASP 118 6.235 -3.657 12.062 329 H GLU 119 H GLU 119 8.358 -6.184 10.852 330 HA GLU 119 HA GLU 119 9.942 -3.876 9.989 331 1HB GLU 119 1HB GLU 119 11.874 -5.221 10.590 332 2HB GLU 119 2HB GLU 119 10.658 -5.407 11.855 333 1HG GLU 119 1HG GLU 119 9.893 -7.512 10.789 334 2HG GLU 119 2HG GLU 119 11.155 -7.339 9.570 335 H GLU 120 H GLU 120 8.625 -6.724 8.586 336 HA GLU 120 HA GLU 120 10.502 -6.766 6.320 337 1HB GLU 120 1HB GLU 120 9.654 -8.910 6.933 338 2HB GLU 120 2HB GLU 120 7.999 -8.314 7.022 339 1HG GLU 120 1HG GLU 120 7.681 -8.847 4.862 340 2HG GLU 120 2HG GLU 120 8.999 -7.770 4.394 341 H VAL 121 H VAL 121 7.345 -5.491 7.127 342 HA VAL 121 HA VAL 121 6.756 -4.754 4.344 343 HB VAL 121 HB VAL 121 4.867 -5.335 5.767 344 1HG1 VAL 121 1HG1 VAL 121 6.190 -4.331 7.851 345 2HG1 VAL 121 2HG1 VAL 121 5.226 -2.909 7.462 346 3HG1 VAL 121 3HG1 VAL 121 4.434 -4.441 7.841 347 1HG2 VAL 121 1HG2 VAL 121 4.988 -2.367 5.172 348 2HG2 VAL 121 2HG2 VAL 121 4.486 -3.631 4.050 349 3HG2 VAL 121 3HG2 VAL 121 3.510 -3.280 5.476 350 H ASP 122 H ASP 122 7.551 -3.015 7.376 351 HA ASP 122 HA ASP 122 7.563 -0.413 6.197 352 1HB ASP 122 1HB ASP 122 8.475 0.343 8.203 353 2HB ASP 122 2HB ASP 122 7.740 -1.172 8.719 354 H GLU 123 H GLU 123 10.117 -2.870 6.448 355 HA GLU 123 HA GLU 123 12.098 -1.120 5.199 356 1HB GLU 123 1HB GLU 123 12.147 -3.588 6.595 357 2HB GLU 123 2HB GLU 123 12.762 -3.919 4.974 358 1HG GLU 123 1HG GLU 123 14.068 -1.614 5.462 359 2HG GLU 123 2HG GLU 123 13.902 -2.198 7.117 360 H MET 124 H MET 124 9.504 -3.054 4.137 361 HA MET 124 HA MET 124 10.649 -3.545 1.464 362 1HB MET 124 1HB MET 124 9.247 -5.307 2.278 363 2HB MET 124 2HB MET 124 7.977 -4.174 2.740 364 1HG MET 124 1HG MET 124 7.317 -5.240 0.665 365 2HG MET 124 2HG MET 124 7.735 -3.563 0.311 366 1HE MET 124 1HE MET 124 9.051 -7.050 0.779 367 2HE MET 124 2HE MET 124 10.455 -7.206 -0.286 368 3HE MET 124 3HE MET 124 10.562 -6.240 1.183 369 H ILE 125 H ILE 125 8.884 -1.112 3.109 370 HA ILE 125 HA ILE 125 7.372 -0.083 0.887 371 HB ILE 125 HB ILE 125 7.879 0.658 3.639 372 1HG1 ILE 125 1HG1 ILE 125 5.786 2.139 2.296 373 2HG1 ILE 125 2HG1 ILE 125 5.773 0.448 1.792 374 1HG2 ILE 125 1HG2 ILE 125 8.004 2.916 1.616 375 2HG2 ILE 125 2HG2 ILE 125 7.662 3.140 3.332 376 3HG2 ILE 125 3HG2 ILE 125 9.228 2.508 2.820 377 1HD1 ILE 125 1HD1 ILE 125 6.229 0.713 4.657 378 2HD1 ILE 125 2HD1 ILE 125 4.713 1.468 4.166 379 3HD1 ILE 125 3HD1 ILE 125 5.011 -0.231 3.802 380 H ARG 126 H ARG 126 10.709 -0.095 1.623 381 HA ARG 126 HA ARG 126 11.555 2.325 0.369 382 1HB ARG 126 1HB ARG 126 13.021 -0.328 0.264 383 2HB ARG 126 2HB ARG 126 13.723 1.288 0.182 384 1HG ARG 126 1HG ARG 126 12.510 1.579 2.521 385 2HG ARG 126 2HG ARG 126 12.623 -0.181 2.550 386 1HD ARG 126 1HD ARG 126 14.996 -0.136 2.392 387 2HD ARG 126 2HD ARG 126 15.009 1.564 1.924 388 HE ARG 126 HE ARG 126 13.862 1.649 4.415 389 1HH1 ARG 126 1HH1 ARG 126 16.924 1.515 3.125 390 2HH1 ARG 126 2HH1 ARG 126 17.721 1.009 4.576 391 1HH2 ARG 126 1HH2 ARG 126 14.774 0.403 6.299 392 2HH2 ARG 126 2HH2 ARG 126 16.505 0.379 6.373 393 H GLU 127 H GLU 127 10.006 -0.417 -0.923 394 HA GLU 127 HA GLU 127 11.098 -0.076 -3.635 395 1HB GLU 127 1HB GLU 127 10.607 -2.341 -2.828 396 2HB GLU 127 2HB GLU 127 8.925 -1.888 -2.543 397 1HG GLU 127 1HG GLU 127 8.775 -2.880 -4.647 398 2HG GLU 127 2HG GLU 127 8.995 -1.185 -5.083 399 H ALA 128 H ALA 128 8.227 0.807 -1.778 400 HA ALA 128 HA ALA 128 6.902 1.758 -4.264 401 1HB ALA 128 1HB ALA 128 6.013 0.962 -1.572 402 2HB ALA 128 2HB ALA 128 5.195 2.388 -2.211 403 3HB ALA 128 3HB ALA 128 5.160 0.873 -3.112 404 H ASP 129 H ASP 129 7.658 3.067 -1.010 405 HA ASP 129 HA ASP 129 7.133 5.793 -1.834 406 1HB ASP 129 1HB ASP 129 6.852 5.281 0.484 407 2HB ASP 129 2HB ASP 129 8.469 4.586 0.595 408 H ILE 130 H ILE 130 8.565 5.841 -3.766 409 HA ILE 130 HA ILE 130 11.150 7.012 -3.093 410 HB ILE 130 HB ILE 130 12.556 5.477 -4.305 411 1HG1 ILE 130 1HG1 ILE 130 10.972 4.880 -6.084 412 2HG1 ILE 130 2HG1 ILE 130 11.632 3.423 -5.339 413 1HG2 ILE 130 1HG2 ILE 130 12.006 4.881 -1.950 414 2HG2 ILE 130 2HG2 ILE 130 10.704 3.850 -2.545 415 3HG2 ILE 130 3HG2 ILE 130 12.381 3.474 -2.942 416 1HD1 ILE 130 1HD1 ILE 130 9.519 3.642 -3.771 417 2HD1 ILE 130 2HD1 ILE 130 8.878 4.583 -5.118 418 3HD1 ILE 130 3HD1 ILE 130 9.367 2.908 -5.368 419 H ASP 131 H ASP 131 11.694 8.495 -4.667 420 HA ASP 131 HA ASP 131 11.571 9.699 -6.685 421 1HB ASP 131 1HB ASP 131 11.030 6.927 -7.432 422 2HB ASP 131 2HB ASP 131 10.184 8.076 -8.471 423 H GLY 132 H GLY 132 8.696 7.787 -7.366 424 1HA GLY 132 1HA GLY 132 6.951 9.789 -8.031 425 2HA GLY 132 2HA GLY 132 6.406 8.346 -7.176 426 H ASP 133 H ASP 133 5.387 11.061 -6.887 427 HA ASP 133 HA ASP 133 6.386 12.092 -4.342 428 1HB ASP 133 1HB ASP 133 4.867 13.129 -6.441 429 2HB ASP 133 2HB ASP 133 3.721 13.005 -5.106 430 H GLY 134 H GLY 134 5.405 11.850 -2.318 431 1HA GLY 134 1HA GLY 134 3.790 11.071 -0.750 432 2HA GLY 134 2HA GLY 134 2.869 10.374 -2.085 433 H GLN 135 H GLN 135 4.436 9.442 0.583 434 HA GLN 135 HA GLN 135 6.301 7.474 -0.080 435 1HB GLN 135 1HB GLN 135 4.136 7.403 2.040 436 2HB GLN 135 2HB GLN 135 5.467 6.248 1.957 437 1HG GLN 135 1HG GLN 135 6.617 8.831 1.733 438 2HG GLN 135 2HG GLN 135 5.464 8.904 3.066 439 1HE2 GLN 135 1HE2 GLN 135 8.751 7.600 4.356 440 2HE2 GLN 135 2HE2 GLN 135 8.290 9.016 3.542 441 H VAL 136 H VAL 136 3.356 5.976 1.038 442 HA VAL 136 HA VAL 136 3.308 4.376 -1.489 443 HB VAL 136 HB VAL 136 3.667 3.132 0.630 444 1HG1 VAL 136 1HG1 VAL 136 2.091 4.902 1.824 445 2HG1 VAL 136 2HG1 VAL 136 0.844 3.730 1.416 446 3HG1 VAL 136 3HG1 VAL 136 2.203 3.253 2.429 447 1HG2 VAL 136 1HG2 VAL 136 1.738 2.651 -1.402 448 2HG2 VAL 136 2HG2 VAL 136 2.571 1.455 -0.411 449 3HG2 VAL 136 3HG2 VAL 136 1.024 2.117 0.117 450 H ASN 137 H ASN 137 1.799 5.332 -2.844 451 HA ASN 137 HA ASN 137 -0.756 6.174 -1.565 452 1HB ASN 137 1HB ASN 137 -0.960 7.464 -3.827 453 2HB ASN 137 2HB ASN 137 0.080 8.092 -2.548 454 1HD2 ASN 137 1HD2 ASN 137 2.134 6.011 -5.451 455 2HD2 ASN 137 2HD2 ASN 137 0.743 5.329 -4.766 456 H TYR 138 H TYR 138 -1.156 3.701 -1.813 457 HA TYR 138 HA TYR 138 -2.331 1.990 -2.883 458 1HB TYR 138 1HB TYR 138 -3.534 4.373 -4.296 459 2HB TYR 138 2HB TYR 138 -4.215 2.745 -4.271 460 HD1 TYR 138 HD1 TYR 138 -2.806 5.261 -1.877 461 HD2 TYR 138 HD2 TYR 138 -5.701 2.222 -2.646 462 HE1 TYR 138 HE1 TYR 138 -3.755 5.626 0.380 463 HE2 TYR 138 HE2 TYR 138 -6.698 2.598 -0.394 464 HH TYR 138 HH TYR 138 -5.114 4.532 1.996 465 H GLU 139 H GLU 139 -2.205 4.114 -5.737 466 HA GLU 139 HA GLU 139 -1.646 2.161 -7.578 467 1HB GLU 139 1HB GLU 139 -0.130 4.766 -7.732 468 2HB GLU 139 2HB GLU 139 -0.863 3.842 -9.043 469 1HG GLU 139 1HG GLU 139 -3.102 4.321 -7.754 470 2HG GLU 139 2HG GLU 139 -2.181 5.639 -7.030 471 H GLU 140 H GLU 140 0.477 3.503 -5.164 472 HA GLU 140 HA GLU 140 2.808 1.989 -6.224 473 1HB GLU 140 1HB GLU 140 2.450 4.233 -4.263 474 2HB GLU 140 2HB GLU 140 3.866 3.190 -4.117 475 1HG GLU 140 1HG GLU 140 3.185 4.230 -6.833 476 2HG GLU 140 2HG GLU 140 3.893 5.358 -5.676 477 H PHE 141 H PHE 141 0.479 2.109 -3.621 478 HA PHE 141 HA PHE 141 1.719 0.353 -1.735 479 1HB PHE 141 1HB PHE 141 -0.292 1.753 -1.285 480 2HB PHE 141 2HB PHE 141 -1.221 0.723 -2.366 481 HD1 PHE 141 HD1 PHE 141 1.378 -0.426 0.051 482 HD2 PHE 141 HD2 PHE 141 -2.809 -0.180 -0.854 483 HE1 PHE 141 HE1 PHE 141 0.866 -1.947 1.925 484 HE2 PHE 141 HE2 PHE 141 -3.305 -1.716 1.032 485 HZ PHE 141 HZ PHE 141 -1.466 -2.595 2.418 486 H VAL 142 H VAL 142 0.006 -0.267 -4.730 487 HA VAL 142 HA VAL 142 -0.619 -3.015 -4.288 488 HB VAL 142 HB VAL 142 -1.750 -1.955 -6.078 489 1HG1 VAL 142 1HG1 VAL 142 0.996 -0.970 -6.774 490 2HG1 VAL 142 2HG1 VAL 142 -0.218 -1.089 -8.047 491 3HG1 VAL 142 3HG1 VAL 142 -0.513 -0.067 -6.640 492 1HG2 VAL 142 1HG2 VAL 142 -0.598 -4.305 -6.499 493 2HG2 VAL 142 2HG2 VAL 142 -1.423 -3.470 -7.815 494 3HG2 VAL 142 3HG2 VAL 142 0.335 -3.394 -7.687 495 H GLN 143 H GLN 143 2.346 -1.399 -4.935 496 HA GLN 143 HA GLN 143 3.740 -3.558 -6.239 497 1HB GLN 143 1HB GLN 143 4.596 -1.257 -6.303 498 2HB GLN 143 2HB GLN 143 4.801 -1.271 -4.551 499 1HG GLN 143 1HG GLN 143 6.742 -2.424 -4.682 500 2HG GLN 143 2HG GLN 143 6.082 -3.556 -5.863 501 1HE2 GLN 143 1HE2 GLN 143 7.363 -0.027 -7.531 502 2HE2 GLN 143 2HE2 GLN 143 6.338 0.011 -6.179 503 H MET 144 H MET 144 2.953 -2.830 -2.911 504 HA MET 144 HA MET 144 4.892 -4.703 -1.793 505 1HB MET 144 1HB MET 144 2.420 -3.746 -0.364 506 2HB MET 144 2HB MET 144 3.993 -4.148 0.316 507 1HG MET 144 1HG MET 144 4.069 -1.980 -1.673 508 2HG MET 144 2HG MET 144 3.126 -1.602 -0.231 509 1HE MET 144 1HE MET 144 5.957 -1.644 -2.023 510 2HE MET 144 2HE MET 144 7.202 -0.964 -0.978 511 3HE MET 144 3HE MET 144 7.120 -2.711 -1.241 512 H MET 145 H MET 145 1.349 -4.715 -2.244 513 HA MET 145 HA MET 145 0.895 -7.333 -1.262 514 1HB MET 145 1HB MET 145 -0.980 -7.207 -3.237 515 2HB MET 145 2HB MET 145 -1.172 -6.454 -1.659 516 1HG MET 145 1HG MET 145 0.278 -4.866 -3.713 517 2HG MET 145 2HG MET 145 -1.451 -5.094 -3.967 518 1HE MET 145 1HE MET 145 -2.918 -5.287 -2.038 519 2HE MET 145 2HE MET 145 -2.277 -5.120 -0.400 520 3HE MET 145 3HE MET 145 -3.247 -3.830 -1.103 521 H THR 146 H THR 146 1.532 -6.299 -4.629 522 HA THR 146 HA THR 146 1.939 -9.145 -5.360 523 HB THR 146 HB THR 146 0.584 -7.875 -6.915 524 HG1 THR 146 HG1 THR 146 3.061 -7.885 -8.207 525 1HG2 THR 146 1HG2 THR 146 2.614 -5.833 -6.367 526 2HG2 THR 146 2HG2 THR 146 2.221 -5.981 -8.079 527 3HG2 THR 146 3HG2 THR 146 0.946 -5.643 -6.908 528 H ALA 147 H ALA 147 3.832 -7.449 -3.693 529 HA ALA 147 HA ALA 147 6.164 -6.881 -5.268 530 1HB ALA 147 1HB ALA 147 5.600 -7.275 -2.352 531 2HB ALA 147 2HB ALA 147 7.278 -7.310 -2.892 532 3HB ALA 147 3HB ALA 147 6.289 -5.878 -3.178 533 H LYS 148 H LYS 148 8.296 -8.227 -4.372 534 HA LYS 148 HA LYS 148 7.970 -10.860 -5.580 535 1HB LYS 148 1HB LYS 148 10.364 -11.101 -5.218 536 2HB LYS 148 2HB LYS 148 10.044 -9.475 -5.826 537 1HG LYS 148 1HG LYS 148 9.795 -9.189 -3.075 538 2HG LYS 148 2HG LYS 148 11.149 -10.307 -3.248 539 1HD LYS 148 1HD LYS 148 12.481 -8.752 -4.281 540 2HD LYS 148 2HD LYS 148 11.120 -7.966 -5.082 541 1HE LYS 148 1HE LYS 148 10.445 -7.221 -2.672 542 2HE LYS 148 2HE LYS 148 12.121 -7.593 -2.270 543 1HZ LYS 148 1HZ LYS 148 11.749 -6.031 -4.678 544 2HZ LYS 148 2HZ LYS 148 11.299 -5.245 -3.241 545 3HZ LYS 148 3HZ LYS 148 12.877 -5.845 -3.426 No H/Q in entry = 545 Start of MODEL 8 Raw file had 555 H/Q atoms Start of MODEL 8 1 1H MET 76 1H MET 76 -2.707 -2.146 -21.489 2 2H MET 76 2H MET 76 -1.637 -0.868 -21.798 3 3H MET 76 3H MET 76 -1.032 -2.384 -21.326 4 HA MET 76 HA MET 76 -0.894 -1.239 -19.360 5 1HB MET 76 1HB MET 76 -3.390 0.130 -20.360 6 2HB MET 76 2HB MET 76 -2.903 0.245 -18.668 7 1HG MET 76 1HG MET 76 -0.550 0.855 -19.735 8 2HG MET 76 2HG MET 76 -1.549 1.331 -21.108 9 1HE MET 76 1HE MET 76 -0.972 1.382 -17.464 10 2HE MET 76 2HE MET 76 -1.552 2.925 -16.842 11 3HE MET 76 3HE MET 76 -2.695 1.619 -17.185 12 H LYS 77 H LYS 77 -1.135 -3.475 -18.692 13 HA LYS 77 HA LYS 77 -3.908 -4.205 -17.847 14 1HB LYS 77 1HB LYS 77 -1.524 -6.060 -18.055 15 2HB LYS 77 2HB LYS 77 -3.226 -6.503 -17.922 16 1HG LYS 77 1HG LYS 77 -2.463 -4.758 -20.213 17 2HG LYS 77 2HG LYS 77 -1.952 -6.444 -20.286 18 1HD LYS 77 1HD LYS 77 -4.795 -5.578 -19.701 19 2HD LYS 77 2HD LYS 77 -4.216 -6.010 -21.310 20 1HE LYS 77 1HE LYS 77 -4.405 -7.777 -18.866 21 2HE LYS 77 2HE LYS 77 -5.175 -8.007 -20.436 22 1HZ LYS 77 1HZ LYS 77 -2.737 -8.013 -21.275 23 2HZ LYS 77 2HZ LYS 77 -2.367 -8.409 -19.668 24 3HZ LYS 77 3HZ LYS 77 -3.390 -9.417 -20.575 25 H ASP 78 H ASP 78 -1.800 -2.463 -16.468 26 HA ASP 78 HA ASP 78 -1.272 -4.084 -14.040 27 1HB ASP 78 1HB ASP 78 -0.504 -1.196 -14.504 28 2HB ASP 78 2HB ASP 78 0.214 -2.342 -13.372 29 H THR 79 H THR 79 -1.368 -1.955 -12.158 30 HA THR 79 HA THR 79 -2.962 -1.130 -10.633 31 HB THR 79 HB THR 79 -4.568 -0.099 -12.932 32 HG1 THR 79 HG1 THR 79 -2.814 1.532 -13.089 33 1HG2 THR 79 1HG2 THR 79 -4.539 0.443 -10.288 34 2HG2 THR 79 2HG2 THR 79 -3.351 1.623 -10.840 35 3HG2 THR 79 3HG2 THR 79 -4.986 1.640 -11.504 36 H ASP 80 H ASP 80 -5.808 -0.668 -11.352 37 HA ASP 80 HA ASP 80 -7.802 -1.873 -11.023 38 1HB ASP 80 1HB ASP 80 -6.860 -2.442 -13.478 39 2HB ASP 80 2HB ASP 80 -6.797 -4.061 -12.781 40 H SER 81 H SER 81 -5.332 -2.583 -9.377 41 HA SER 81 HA SER 81 -6.255 -5.306 -8.546 42 1HB SER 81 1HB SER 81 -3.487 -4.304 -7.954 43 2HB SER 81 2HB SER 81 -4.060 -5.963 -8.103 44 HG SER 81 HG SER 81 -2.803 -4.853 -9.917 45 H GLU 82 H GLU 82 -5.622 -2.033 -7.610 46 HA GLU 82 HA GLU 82 -5.478 -2.604 -4.753 47 1HB GLU 82 1HB GLU 82 -6.187 0.077 -5.962 48 2HB GLU 82 2HB GLU 82 -5.374 -0.249 -4.429 49 1HG GLU 82 1HG GLU 82 -3.339 -0.644 -5.430 50 2HG GLU 82 2HG GLU 82 -4.063 -1.275 -6.909 51 H GLU 83 H GLU 83 -7.948 -2.965 -6.877 52 HA GLU 83 HA GLU 83 -10.205 -1.675 -5.879 53 1HB GLU 83 1HB GLU 83 -9.773 -4.464 -6.926 54 2HB GLU 83 2HB GLU 83 -11.358 -3.995 -6.313 55 1HG GLU 83 1HG GLU 83 -10.001 -2.139 -8.221 56 2HG GLU 83 2HG GLU 83 -10.699 -3.623 -8.871 57 H GLU 84 H GLU 84 -8.431 -4.395 -4.494 58 HA GLU 84 HA GLU 84 -10.238 -4.384 -2.127 59 1HB GLU 84 1HB GLU 84 -9.095 -6.474 -3.512 60 2HB GLU 84 2HB GLU 84 -7.973 -6.273 -2.165 61 1HG GLU 84 1HG GLU 84 -9.904 -6.346 -0.589 62 2HG GLU 84 2HG GLU 84 -10.975 -6.657 -1.956 63 H ILE 85 H ILE 85 -7.101 -3.442 -3.234 64 HA ILE 85 HA ILE 85 -5.874 -3.195 -0.599 65 HB ILE 85 HB ILE 85 -5.049 -1.781 -3.143 66 1HG1 ILE 85 1HG1 ILE 85 -4.385 -4.601 -2.242 67 2HG1 ILE 85 2HG1 ILE 85 -5.395 -4.175 -3.623 68 1HG2 ILE 85 1HG2 ILE 85 -3.925 -1.117 -1.051 69 2HG2 ILE 85 2HG2 ILE 85 -3.496 -2.801 -0.750 70 3HG2 ILE 85 3HG2 ILE 85 -2.812 -1.952 -2.138 71 1HD1 ILE 85 1HD1 ILE 85 -2.654 -2.991 -3.478 72 2HD1 ILE 85 2HD1 ILE 85 -2.800 -4.689 -3.931 73 3HD1 ILE 85 3HD1 ILE 85 -3.606 -3.448 -4.891 74 H ARG 86 H ARG 86 -6.507 -0.656 -3.014 75 HA ARG 86 HA ARG 86 -6.387 1.614 -1.552 76 1HB ARG 86 1HB ARG 86 -7.534 0.919 -3.976 77 2HB ARG 86 2HB ARG 86 -8.905 1.548 -3.061 78 1HG ARG 86 1HG ARG 86 -6.280 3.013 -3.155 79 2HG ARG 86 2HG ARG 86 -7.500 3.242 -4.406 80 1HD ARG 86 1HD ARG 86 -8.871 3.383 -1.938 81 2HD ARG 86 2HD ARG 86 -7.417 4.360 -1.746 82 HE ARG 86 HE ARG 86 -8.149 5.672 -3.721 83 1HH1 ARG 86 1HH1 ARG 86 -10.028 4.163 -5.198 84 2HH1 ARG 86 2HH1 ARG 86 -11.579 4.623 -4.578 85 1HH2 ARG 86 1HH2 ARG 86 -10.302 5.977 -1.653 86 2HH2 ARG 86 2HH2 ARG 86 -11.734 5.650 -2.572 87 H GLU 87 H GLU 87 -9.080 -0.703 -1.410 88 HA GLU 87 HA GLU 87 -10.616 0.961 0.424 89 1HB GLU 87 1HB GLU 87 -11.844 -0.620 -0.924 90 2HB GLU 87 2HB GLU 87 -10.826 -1.957 -0.385 91 1HG GLU 87 1HG GLU 87 -12.845 -2.114 0.885 92 2HG GLU 87 2HG GLU 87 -11.632 -1.448 1.977 93 H ALA 88 H ALA 88 -8.587 -1.952 0.733 94 HA ALA 88 HA ALA 88 -8.675 -1.747 3.679 95 1HB ALA 88 1HB ALA 88 -8.484 -3.913 2.069 96 2HB ALA 88 2HB ALA 88 -6.769 -3.591 2.319 97 3HB ALA 88 3HB ALA 88 -7.821 -3.888 3.703 98 H PHE 89 H PHE 89 -7.748 0.541 3.006 99 HA PHE 89 HA PHE 89 -5.106 0.795 3.991 100 1HB PHE 89 1HB PHE 89 -4.950 -0.232 1.475 101 2HB PHE 89 2HB PHE 89 -5.010 1.488 1.093 102 HD1 PHE 89 HD1 PHE 89 -3.540 -0.195 4.070 103 HD2 PHE 89 HD2 PHE 89 -2.784 2.024 0.484 104 HE1 PHE 89 HE1 PHE 89 -1.164 0.035 4.716 105 HE2 PHE 89 HE2 PHE 89 -0.408 2.246 1.118 106 HZ PHE 89 HZ PHE 89 0.416 1.243 3.232 107 H ARG 90 H ARG 90 -7.770 2.010 2.068 108 HA ARG 90 HA ARG 90 -7.059 4.763 2.104 109 1HB ARG 90 1HB ARG 90 -9.419 5.170 1.597 110 2HB ARG 90 2HB ARG 90 -8.872 3.776 0.666 111 1HG ARG 90 1HG ARG 90 -10.070 2.268 1.944 112 2HG ARG 90 2HG ARG 90 -10.040 3.294 3.378 113 1HD ARG 90 1HD ARG 90 -12.286 3.082 2.131 114 2HD ARG 90 2HD ARG 90 -11.745 4.708 2.544 115 HE ARG 90 HE ARG 90 -10.816 3.951 -0.084 116 1HH1 ARG 90 1HH1 ARG 90 -12.054 6.595 0.915 117 2HH1 ARG 90 2HH1 ARG 90 -13.488 6.658 -0.055 118 1HH2 ARG 90 1HH2 ARG 90 -13.318 3.324 -0.994 119 2HH2 ARG 90 2HH2 ARG 90 -14.203 4.805 -1.136 120 H VAL 91 H VAL 91 -8.288 2.540 4.407 121 HA VAL 91 HA VAL 91 -9.670 4.023 6.247 122 HB VAL 91 HB VAL 91 -7.392 2.210 7.077 123 1HG1 VAL 91 1HG1 VAL 91 -10.091 2.931 8.252 124 2HG1 VAL 91 2HG1 VAL 91 -9.085 1.616 8.860 125 3HG1 VAL 91 3HG1 VAL 91 -8.502 3.279 8.933 126 1HG2 VAL 91 1HG2 VAL 91 -9.623 1.626 5.353 127 2HG2 VAL 91 2HG2 VAL 91 -8.378 0.527 5.948 128 3HG2 VAL 91 3HG2 VAL 91 -9.848 0.786 6.888 129 H PHE 92 H PHE 92 -6.290 4.332 5.407 130 HA PHE 92 HA PHE 92 -5.897 6.273 7.621 131 1HB PHE 92 1HB PHE 92 -3.934 4.959 5.746 132 2HB PHE 92 2HB PHE 92 -3.519 6.000 7.115 133 HD1 PHE 92 HD1 PHE 92 -5.478 2.913 6.271 134 HD2 PHE 92 HD2 PHE 92 -3.270 5.082 9.238 135 HE1 PHE 92 HE1 PHE 92 -5.666 0.981 7.819 136 HE2 PHE 92 HE2 PHE 92 -3.444 3.145 10.789 137 HZ PHE 92 HZ PHE 92 -4.650 1.099 10.078 138 H ASP 93 H ASP 93 -5.718 5.967 4.072 139 HA ASP 93 HA ASP 93 -5.389 8.926 3.908 140 1HB ASP 93 1HB ASP 93 -4.151 6.741 2.487 141 2HB ASP 93 2HB ASP 93 -5.050 7.749 1.348 142 H LYS 94 H LYS 94 -7.949 7.673 4.444 143 HA LYS 94 HA LYS 94 -9.600 7.192 2.235 144 1HB LYS 94 1HB LYS 94 -10.265 8.799 4.727 145 2HB LYS 94 2HB LYS 94 -11.455 8.141 3.603 146 1HG LYS 94 1HG LYS 94 -10.268 5.864 4.040 147 2HG LYS 94 2HG LYS 94 -9.611 6.664 5.470 148 1HD LYS 94 1HD LYS 94 -12.543 6.928 4.967 149 2HD LYS 94 2HD LYS 94 -11.950 5.370 5.545 150 1HE LYS 94 1HE LYS 94 -11.849 6.209 7.629 151 2HE LYS 94 2HE LYS 94 -10.641 7.370 7.079 152 1HZ LYS 94 1HZ LYS 94 -12.755 8.587 6.177 153 2HZ LYS 94 2HZ LYS 94 -13.535 7.705 7.397 154 3HZ LYS 94 3HZ LYS 94 -12.272 8.769 7.796 155 H ASP 95 H ASP 95 -9.525 10.375 3.834 156 HA ASP 95 HA ASP 95 -9.831 11.617 1.134 157 1HB ASP 95 1HB ASP 95 -11.673 12.112 2.701 158 2HB ASP 95 2HB ASP 95 -10.512 12.721 3.882 159 H GLY 96 H GLY 96 -7.435 10.780 3.060 160 1HA GLY 96 1HA GLY 96 -6.031 13.223 3.616 161 2HA GLY 96 2HA GLY 96 -5.302 11.618 3.539 162 H ASN 97 H ASN 97 -4.557 10.831 1.461 163 HA ASN 97 HA ASN 97 -4.730 12.625 -0.858 164 1HB ASN 97 1HB ASN 97 -2.219 12.414 0.787 165 2HB ASN 97 2HB ASN 97 -2.131 12.740 -0.944 166 1HD2 ASN 97 1HD2 ASN 97 -3.689 15.982 -0.645 167 2HD2 ASN 97 2HD2 ASN 97 -3.546 14.661 -1.700 168 H GLY 98 H GLY 98 -4.882 9.627 0.124 169 1HA GLY 98 1HA GLY 98 -4.821 7.687 -1.233 170 2HA GLY 98 2HA GLY 98 -3.836 8.559 -2.404 171 H TYR 99 H TYR 99 -1.676 9.357 -1.165 172 HA TYR 99 HA TYR 99 -0.233 6.910 -0.530 173 1HB TYR 99 1HB TYR 99 1.723 8.227 -0.647 174 2HB TYR 99 2HB TYR 99 0.642 8.984 -1.812 175 HD1 TYR 99 HD1 TYR 99 1.928 9.218 1.669 176 HD2 TYR 99 HD2 TYR 99 -0.129 11.219 -1.527 177 HE1 TYR 99 HE1 TYR 99 2.077 11.354 2.915 178 HE2 TYR 99 HE2 TYR 99 0.019 13.358 -0.281 179 HH TYR 99 HH TYR 99 0.506 13.655 2.811 180 H ILE 100 H ILE 100 0.220 6.121 1.418 181 HA ILE 100 HA ILE 100 -0.368 7.855 3.769 182 HB ILE 100 HB ILE 100 -0.463 5.313 4.772 183 1HG1 ILE 100 1HG1 ILE 100 -1.527 5.236 1.919 184 2HG1 ILE 100 2HG1 ILE 100 -0.309 4.177 2.628 185 1HG2 ILE 100 1HG2 ILE 100 -2.211 7.492 4.200 186 2HG2 ILE 100 2HG2 ILE 100 -3.069 6.004 3.810 187 3HG2 ILE 100 3HG2 ILE 100 -2.406 6.243 5.427 188 1HD1 ILE 100 1HD1 ILE 100 -2.889 4.228 4.070 189 2HD1 ILE 100 2HD1 ILE 100 -2.955 3.555 2.449 190 3HD1 ILE 100 3HD1 ILE 100 -1.863 2.865 3.648 191 H SER 101 H SER 101 0.938 6.890 5.782 192 HA SER 101 HA SER 101 3.747 7.059 4.977 193 1HB SER 101 1HB SER 101 2.898 8.210 7.004 194 2HB SER 101 2HB SER 101 2.517 6.645 7.717 195 HG SER 101 HG SER 101 4.754 7.885 7.930 196 H ALA 102 H ALA 102 5.290 5.484 6.256 197 HA ALA 102 HA ALA 102 4.786 2.817 5.267 198 1HB ALA 102 1HB ALA 102 6.997 4.250 6.363 199 2HB ALA 102 2HB ALA 102 6.771 2.803 7.344 200 3HB ALA 102 3HB ALA 102 7.013 2.659 5.603 201 H ALA 103 H ALA 103 4.277 4.470 8.314 202 HA ALA 103 HA ALA 103 3.840 2.149 9.942 203 1HB ALA 103 1HB ALA 103 3.732 4.933 10.308 204 2HB ALA 103 2HB ALA 103 2.088 4.377 10.620 205 3HB ALA 103 3HB ALA 103 3.435 3.705 11.538 206 H GLU 104 H GLU 104 2.053 3.649 7.411 207 HA GLU 104 HA GLU 104 -0.535 2.533 8.168 208 1HB GLU 104 1HB GLU 104 0.218 4.539 6.448 209 2HB GLU 104 2HB GLU 104 -0.116 3.211 5.329 210 1HG GLU 104 1HG GLU 104 -1.980 4.249 7.467 211 2HG GLU 104 2HG GLU 104 -2.160 4.452 5.726 212 H LEU 105 H LEU 105 1.835 1.838 5.575 213 HA LEU 105 HA LEU 105 0.534 -0.456 4.560 214 1HB LEU 105 1HB LEU 105 2.947 0.890 4.093 215 2HB LEU 105 2HB LEU 105 3.404 -0.768 4.491 216 HG LEU 105 HG LEU 105 1.078 -0.419 2.670 217 1HD1 LEU 105 1HD1 LEU 105 2.978 1.226 1.999 218 2HD1 LEU 105 2HD1 LEU 105 3.868 -0.227 1.545 219 3HD1 LEU 105 3HD1 LEU 105 2.331 0.146 0.764 220 1HD2 LEU 105 1HD2 LEU 105 3.207 -2.378 3.311 221 2HD2 LEU 105 2HD2 LEU 105 1.539 -2.652 2.808 222 3HD2 LEU 105 3HD2 LEU 105 2.774 -2.283 1.604 223 H ARG 106 H ARG 106 2.788 -0.111 7.274 224 HA ARG 106 HA ARG 106 3.126 -2.927 7.745 225 1HB ARG 106 1HB ARG 106 4.284 -2.287 9.665 226 2HB ARG 106 2HB ARG 106 4.433 -0.850 8.663 227 1HG ARG 106 1HG ARG 106 3.757 0.087 10.675 228 2HG ARG 106 2HG ARG 106 2.206 -0.136 9.872 229 1HD ARG 106 1HD ARG 106 1.531 -1.467 11.553 230 2HD ARG 106 2HD ARG 106 2.851 -2.579 11.192 231 HE ARG 106 HE ARG 106 4.196 -1.458 12.873 232 1HH1 ARG 106 1HH1 ARG 106 4.050 1.040 13.529 233 2HH1 ARG 106 2HH1 ARG 106 2.704 1.319 14.582 234 1HH2 ARG 106 1HH2 ARG 106 1.126 -1.665 13.790 235 2HH2 ARG 106 2HH2 ARG 106 1.049 -0.212 14.729 236 H HIS 107 H HIS 107 0.770 -0.570 8.846 237 HA HIS 107 HA HIS 107 -0.494 -2.393 10.745 238 1HB HIS 107 1HB HIS 107 -0.644 -0.002 11.151 239 2HB HIS 107 2HB HIS 107 -1.403 0.257 9.581 240 HD1 HIS 107 HD1 HIS 107 -2.276 -0.099 13.016 241 HD2 HIS 107 HD2 HIS 107 -3.977 -1.462 9.456 242 HE1 HIS 107 HE1 HIS 107 -4.684 -0.674 13.545 243 H VAL 108 H VAL 108 -0.940 -1.633 7.349 244 HA VAL 108 HA VAL 108 -3.525 -3.084 7.341 245 HB VAL 108 HB VAL 108 -2.230 -1.781 4.956 246 1HG1 VAL 108 1HG1 VAL 108 -4.751 -3.077 5.603 247 2HG1 VAL 108 2HG1 VAL 108 -5.017 -1.427 5.041 248 3HG1 VAL 108 3HG1 VAL 108 -4.131 -2.572 4.032 249 1HG2 VAL 108 1HG2 VAL 108 -3.301 -0.565 7.417 250 2HG2 VAL 108 2HG2 VAL 108 -2.329 0.160 6.140 251 3HG2 VAL 108 3HG2 VAL 108 -4.075 0.028 5.948 252 H MET 109 H MET 109 -0.573 -3.169 5.244 253 HA MET 109 HA MET 109 -1.221 -5.540 3.972 254 1HB MET 109 1HB MET 109 1.227 -4.084 4.461 255 2HB MET 109 2HB MET 109 1.529 -5.818 4.521 256 1HG MET 109 1HG MET 109 0.437 -4.185 2.242 257 2HG MET 109 2HG MET 109 1.817 -5.275 2.244 258 1HE MET 109 1HE MET 109 1.193 -6.274 0.150 259 2HE MET 109 2HE MET 109 -0.290 -7.140 -0.241 260 3HE MET 109 3HE MET 109 -0.307 -5.378 -0.078 261 H THR 110 H THR 110 -0.429 -5.206 7.326 262 HA THR 110 HA THR 110 0.285 -8.035 7.651 263 HB THR 110 HB THR 110 1.254 -6.297 9.123 264 HG1 THR 110 HG1 THR 110 0.968 -7.467 10.982 265 1HG2 THR 110 1HG2 THR 110 -0.934 -4.965 9.089 266 2HG2 THR 110 2HG2 THR 110 -1.490 -6.066 10.347 267 3HG2 THR 110 3HG2 THR 110 -0.079 -5.046 10.629 268 H ASN 111 H ASN 111 -2.465 -7.056 6.653 269 HA ASN 111 HA ASN 111 -4.003 -9.011 8.202 270 1HB ASN 111 1HB ASN 111 -5.837 -6.897 7.859 271 2HB ASN 111 2HB ASN 111 -5.201 -7.507 9.381 272 1HD2 ASN 111 1HD2 ASN 111 -4.465 -3.767 8.751 273 2HD2 ASN 111 2HD2 ASN 111 -5.861 -4.661 8.380 274 H LEU 112 H LEU 112 -3.905 -6.639 5.551 275 HA LEU 112 HA LEU 112 -6.032 -7.418 3.963 276 1HB LEU 112 1HB LEU 112 -3.187 -6.929 3.036 277 2HB LEU 112 2HB LEU 112 -4.591 -6.957 1.977 278 HG LEU 112 HG LEU 112 -3.661 -4.841 3.820 279 1HD1 LEU 112 1HD1 LEU 112 -3.776 -4.663 1.344 280 2HD1 LEU 112 2HD1 LEU 112 -5.527 -4.846 1.433 281 3HD1 LEU 112 3HD1 LEU 112 -4.751 -3.435 2.150 282 1HD2 LEU 112 1HD2 LEU 112 -6.599 -5.589 3.622 283 2HD2 LEU 112 2HD2 LEU 112 -5.632 -5.473 5.093 284 3HD2 LEU 112 3HD2 LEU 112 -6.023 -4.018 4.176 285 H GLY 113 H GLY 113 -2.842 -8.784 3.261 286 1HA GLY 113 1HA GLY 113 -3.848 -11.530 3.416 287 2HA GLY 113 2HA GLY 113 -3.531 -10.973 1.773 288 H GLU 114 H GLU 114 -1.247 -9.309 2.447 289 HA GLU 114 HA GLU 114 0.858 -11.155 2.170 290 1HB GLU 114 1HB GLU 114 0.827 -8.332 3.230 291 2HB GLU 114 2HB GLU 114 2.318 -9.248 3.047 292 1HG GLU 114 1HG GLU 114 0.341 -8.583 0.851 293 2HG GLU 114 2HG GLU 114 1.975 -7.942 1.027 294 H LYS 115 H LYS 115 -0.392 -9.631 5.133 295 HA LYS 115 HA LYS 115 0.168 -10.052 7.390 296 1HB LYS 115 1HB LYS 115 -1.352 -11.989 6.465 297 2HB LYS 115 2HB LYS 115 0.110 -12.960 6.639 298 1HG LYS 115 1HG LYS 115 0.061 -11.604 9.026 299 2HG LYS 115 2HG LYS 115 -1.658 -11.839 8.716 300 1HD LYS 115 1HD LYS 115 -1.057 -13.805 9.858 301 2HD LYS 115 2HD LYS 115 -0.990 -14.294 8.164 302 1HE LYS 115 1HE LYS 115 1.291 -14.481 8.168 303 2HE LYS 115 2HE LYS 115 1.501 -13.130 9.281 304 1HZ LYS 115 1HZ LYS 115 0.411 -15.762 10.100 305 2HZ LYS 115 2HZ LYS 115 2.055 -15.361 10.211 306 3HZ LYS 115 3HZ LYS 115 0.906 -14.487 11.108 307 H LEU 116 H LEU 116 2.409 -9.261 7.098 308 HA LEU 116 HA LEU 116 4.384 -11.499 7.262 309 1HB LEU 116 1HB LEU 116 6.033 -9.831 6.331 310 2HB LEU 116 2HB LEU 116 4.749 -10.264 5.201 311 HG LEU 116 HG LEU 116 4.371 -7.902 7.020 312 1HD1 LEU 116 1HD1 LEU 116 6.192 -8.104 4.650 313 2HD1 LEU 116 2HD1 LEU 116 5.269 -6.621 4.884 314 3HD1 LEU 116 3HD1 LEU 116 6.386 -7.171 6.133 315 1HD2 LEU 116 1HD2 LEU 116 3.016 -9.146 4.811 316 2HD2 LEU 116 2HD2 LEU 116 2.492 -7.773 5.786 317 3HD2 LEU 116 3HD2 LEU 116 3.481 -7.508 4.350 318 H THR 117 H THR 117 5.980 -8.659 7.799 319 HA THR 117 HA THR 117 5.334 -8.625 10.710 320 HB THR 117 HB THR 117 8.089 -7.979 10.326 321 HG1 THR 117 HG1 THR 117 8.329 -10.428 9.600 322 1HG2 THR 117 1HG2 THR 117 6.703 -9.127 12.243 323 2HG2 THR 117 2HG2 THR 117 7.121 -10.614 11.394 324 3HG2 THR 117 3HG2 THR 117 8.397 -9.564 12.011 325 H ASP 118 H ASP 118 6.458 -6.512 11.666 326 HA ASP 118 HA ASP 118 5.498 -4.298 9.999 327 1HB ASP 118 1HB ASP 118 6.860 -4.266 12.713 328 2HB ASP 118 2HB ASP 118 6.069 -2.891 11.944 329 H GLU 119 H GLU 119 8.575 -5.711 10.938 330 HA GLU 119 HA GLU 119 10.119 -3.464 9.852 331 1HB GLU 119 1HB GLU 119 12.082 -4.889 10.309 332 2HB GLU 119 2HB GLU 119 11.022 -4.828 11.717 333 1HG GLU 119 1HG GLU 119 10.687 -7.053 11.645 334 2HG GLU 119 2HG GLU 119 10.227 -6.977 9.944 335 H GLU 120 H GLU 120 8.711 -6.414 8.747 336 HA GLU 120 HA GLU 120 10.363 -6.641 6.340 337 1HB GLU 120 1HB GLU 120 9.352 -8.665 7.235 338 2HB GLU 120 2HB GLU 120 7.745 -7.940 7.166 339 1HG GLU 120 1HG GLU 120 7.860 -9.297 5.229 340 2HG GLU 120 2HG GLU 120 8.177 -7.665 4.638 341 H VAL 121 H VAL 121 7.102 -5.509 7.166 342 HA VAL 121 HA VAL 121 6.423 -4.713 4.474 343 HB VAL 121 HB VAL 121 4.603 -5.094 5.984 344 1HG1 VAL 121 1HG1 VAL 121 6.316 -4.070 7.931 345 2HG1 VAL 121 2HG1 VAL 121 5.009 -2.896 7.838 346 3HG1 VAL 121 3HG1 VAL 121 4.650 -4.589 8.171 347 1HG2 VAL 121 1HG2 VAL 121 4.821 -2.804 4.511 348 2HG2 VAL 121 2HG2 VAL 121 3.352 -3.306 5.347 349 3HG2 VAL 121 3HG2 VAL 121 4.450 -2.152 6.107 350 H ASP 122 H ASP 122 7.569 -2.903 7.331 351 HA ASP 122 HA ASP 122 7.577 -0.331 6.131 352 1HB ASP 122 1HB ASP 122 8.923 -1.605 8.453 353 2HB ASP 122 2HB ASP 122 9.657 -0.124 7.838 354 H GLU 123 H GLU 123 10.264 -2.691 6.399 355 HA GLU 123 HA GLU 123 12.132 -1.133 4.905 356 1HB GLU 123 1HB GLU 123 11.998 -3.808 6.008 357 2HB GLU 123 2HB GLU 123 12.724 -3.840 4.400 358 1HG GLU 123 1HG GLU 123 14.530 -3.447 5.911 359 2HG GLU 123 2HG GLU 123 14.178 -1.883 5.174 360 H MET 124 H MET 124 9.789 -3.614 3.881 361 HA MET 124 HA MET 124 10.569 -3.650 1.126 362 1HB MET 124 1HB MET 124 9.132 -5.396 2.074 363 2HB MET 124 2HB MET 124 7.872 -4.205 2.405 364 1HG MET 124 1HG MET 124 7.342 -5.378 0.334 365 2HG MET 124 2HG MET 124 7.755 -3.703 -0.032 366 1HE MET 124 1HE MET 124 9.200 -6.931 0.884 367 2HE MET 124 2HE MET 124 10.312 -7.424 -0.390 368 3HE MET 124 3HE MET 124 10.853 -6.303 0.856 369 H ILE 125 H ILE 125 8.912 -1.332 3.033 370 HA ILE 125 HA ILE 125 7.320 -0.092 0.983 371 HB ILE 125 HB ILE 125 7.839 0.266 3.753 372 1HG1 ILE 125 1HG1 ILE 125 5.957 2.174 3.015 373 2HG1 ILE 125 2HG1 ILE 125 5.849 0.955 1.742 374 1HG2 ILE 125 1HG2 ILE 125 8.510 2.715 2.121 375 2HG2 ILE 125 2HG2 ILE 125 7.846 2.846 3.748 376 3HG2 ILE 125 3HG2 ILE 125 9.387 2.029 3.488 377 1HD1 ILE 125 1HD1 ILE 125 6.121 -0.348 4.295 378 2HD1 ILE 125 2HD1 ILE 125 4.789 0.806 4.365 379 3HD1 ILE 125 3HD1 ILE 125 4.796 -0.460 3.137 380 H ARG 126 H ARG 126 10.703 0.114 1.866 381 HA ARG 126 HA ARG 126 11.538 2.520 0.778 382 1HB ARG 126 1HB ARG 126 12.865 -0.171 0.322 383 2HB ARG 126 2HB ARG 126 13.650 1.403 0.180 384 1HG ARG 126 1HG ARG 126 13.471 1.830 2.503 385 2HG ARG 126 2HG ARG 126 12.279 0.551 2.732 386 1HD ARG 126 1HD ARG 126 13.882 -1.006 3.019 387 2HD ARG 126 2HD ARG 126 14.738 -0.482 1.568 388 HE ARG 126 HE ARG 126 15.088 1.310 3.851 389 1HH1 ARG 126 1HH1 ARG 126 16.641 -0.349 1.436 390 2HH1 ARG 126 2HH1 ARG 126 18.041 -0.777 2.361 391 1HH2 ARG 126 1HH2 ARG 126 16.693 0.269 5.381 392 2HH2 ARG 126 2HH2 ARG 126 18.071 -0.428 4.594 393 H GLU 127 H GLU 127 10.230 -0.241 -0.901 394 HA GLU 127 HA GLU 127 11.059 0.623 -3.556 395 1HB GLU 127 1HB GLU 127 10.606 -1.734 -3.157 396 2HB GLU 127 2HB GLU 127 8.968 -1.361 -2.617 397 1HG GLU 127 1HG GLU 127 8.656 -2.029 -4.855 398 2HG GLU 127 2HG GLU 127 8.684 -0.268 -4.962 399 H ALA 128 H ALA 128 7.953 0.630 -1.782 400 HA ALA 128 HA ALA 128 6.778 2.396 -3.839 401 1HB ALA 128 1HB ALA 128 5.752 0.838 -1.495 402 2HB ALA 128 2HB ALA 128 4.813 2.223 -2.058 403 3HB ALA 128 3HB ALA 128 5.152 0.884 -3.157 404 H ASP 129 H ASP 129 6.788 2.523 -0.262 405 HA ASP 129 HA ASP 129 6.410 5.368 -0.183 406 1HB ASP 129 1HB ASP 129 6.778 3.190 1.708 407 2HB ASP 129 2HB ASP 129 7.643 4.639 2.222 408 H ILE 130 H ILE 130 7.906 6.876 -0.736 409 HA ILE 130 HA ILE 130 10.675 6.611 0.193 410 HB ILE 130 HB ILE 130 11.600 6.946 -2.130 411 1HG1 ILE 130 1HG1 ILE 130 8.827 6.052 -2.973 412 2HG1 ILE 130 2HG1 ILE 130 9.407 7.714 -3.096 413 1HG2 ILE 130 1HG2 ILE 130 11.247 4.680 -0.826 414 2HG2 ILE 130 2HG2 ILE 130 10.061 4.369 -2.094 415 3HG2 ILE 130 3HG2 ILE 130 11.749 4.653 -2.516 416 1HD1 ILE 130 1HD1 ILE 130 11.313 5.827 -4.233 417 2HD1 ILE 130 2HD1 ILE 130 9.736 5.709 -5.014 418 3HD1 ILE 130 3HD1 ILE 130 10.584 7.255 -4.966 419 H ASP 131 H ASP 131 8.968 8.495 1.043 420 HA ASP 131 HA ASP 131 8.586 10.805 1.176 421 1HB ASP 131 1HB ASP 131 11.351 10.564 0.020 422 2HB ASP 131 2HB ASP 131 10.611 12.154 0.209 423 H GLY 132 H GLY 132 10.454 11.229 -1.755 424 1HA GLY 132 1HA GLY 132 9.798 12.333 -3.741 425 2HA GLY 132 2HA GLY 132 8.641 11.002 -3.813 426 H ASP 133 H ASP 133 6.721 11.923 -4.358 427 HA ASP 133 HA ASP 133 5.894 14.401 -2.904 428 1HB ASP 133 1HB ASP 133 5.989 14.334 -5.490 429 2HB ASP 133 2HB ASP 133 4.563 13.300 -5.382 430 H GLY 134 H GLY 134 4.947 11.129 -3.813 431 1HA GLY 134 1HA GLY 134 2.831 11.253 -1.708 432 2HA GLY 134 2HA GLY 134 2.498 10.498 -3.269 433 H GLN 135 H GLN 135 3.329 9.777 -0.169 434 HA GLN 135 HA GLN 135 5.415 7.867 -0.391 435 1HB GLN 135 1HB GLN 135 3.030 7.719 1.476 436 2HB GLN 135 2HB GLN 135 4.622 7.006 1.730 437 1HG GLN 135 1HG GLN 135 5.380 9.551 1.350 438 2HG GLN 135 2HG GLN 135 3.759 9.846 1.979 439 1HE2 GLN 135 1HE2 GLN 135 4.848 9.322 5.275 440 2HE2 GLN 135 2HE2 GLN 135 3.827 10.153 4.205 441 H VAL 136 H VAL 136 2.957 5.931 0.793 442 HA VAL 136 HA VAL 136 2.888 4.443 -1.776 443 HB VAL 136 HB VAL 136 3.546 3.143 0.171 444 1HG1 VAL 136 1HG1 VAL 136 1.359 4.661 1.399 445 2HG1 VAL 136 2HG1 VAL 136 1.308 2.944 1.789 446 3HG1 VAL 136 3HG1 VAL 136 2.749 3.887 2.155 447 1HG2 VAL 136 1HG2 VAL 136 1.016 2.655 -1.261 448 2HG2 VAL 136 2HG2 VAL 136 2.410 1.598 -1.052 449 3HG2 VAL 136 3HG2 VAL 136 1.202 1.726 0.226 450 H ASN 137 H ASN 137 1.334 5.625 -2.925 451 HA ASN 137 HA ASN 137 -1.294 6.114 -1.665 452 1HB ASN 137 1HB ASN 137 -1.765 7.326 -3.813 453 2HB ASN 137 2HB ASN 137 -0.442 7.979 -2.860 454 1HD2 ASN 137 1HD2 ASN 137 1.260 5.659 -5.714 455 2HD2 ASN 137 2HD2 ASN 137 0.407 4.994 -4.413 456 H TYR 138 H TYR 138 -0.901 3.363 -2.112 457 HA TYR 138 HA TYR 138 -2.275 1.633 -2.937 458 1HB TYR 138 1HB TYR 138 -3.673 3.686 -4.649 459 2HB TYR 138 2HB TYR 138 -4.303 2.159 -4.030 460 HD1 TYR 138 HD1 TYR 138 -3.205 2.268 -1.269 461 HD2 TYR 138 HD2 TYR 138 -5.157 5.269 -3.616 462 HE1 TYR 138 HE1 TYR 138 -4.019 3.347 0.804 463 HE2 TYR 138 HE2 TYR 138 -5.987 6.347 -1.545 464 HH TYR 138 HH TYR 138 -6.119 6.225 0.667 465 H GLU 139 H GLU 139 -2.158 3.835 -5.761 466 HA GLU 139 HA GLU 139 -1.606 1.911 -7.656 467 1HB GLU 139 1HB GLU 139 -0.252 4.620 -7.658 468 2HB GLU 139 2HB GLU 139 -0.726 3.656 -9.057 469 1HG GLU 139 1HG GLU 139 -3.050 4.025 -7.450 470 2HG GLU 139 2HG GLU 139 -2.279 5.601 -7.638 471 H GLU 140 H GLU 140 0.494 3.287 -5.243 472 HA GLU 140 HA GLU 140 2.863 1.875 -6.339 473 1HB GLU 140 1HB GLU 140 2.556 4.296 -4.983 474 2HB GLU 140 2HB GLU 140 3.216 3.207 -3.764 475 1HG GLU 140 1HG GLU 140 5.238 3.593 -4.692 476 2HG GLU 140 2HG GLU 140 4.689 2.614 -6.054 477 H PHE 141 H PHE 141 0.520 1.798 -3.761 478 HA PHE 141 HA PHE 141 1.801 -0.032 -1.964 479 1HB PHE 141 1HB PHE 141 -0.267 1.331 -1.489 480 2HB PHE 141 2HB PHE 141 -1.160 0.259 -2.559 481 HD1 PHE 141 HD1 PHE 141 1.434 -1.524 -0.906 482 HD2 PHE 141 HD2 PHE 141 -2.522 0.024 -0.338 483 HE1 PHE 141 HE1 PHE 141 1.075 -3.121 0.933 484 HE2 PHE 141 HE2 PHE 141 -2.888 -1.560 1.515 485 HZ PHE 141 HZ PHE 141 -1.089 -3.146 2.160 486 H VAL 142 H VAL 142 0.249 -0.496 -5.050 487 HA VAL 142 HA VAL 142 -0.381 -3.283 -4.733 488 HB VAL 142 HB VAL 142 -1.501 -2.185 -6.510 489 1HG1 VAL 142 1HG1 VAL 142 1.218 -1.050 -7.078 490 2HG1 VAL 142 2HG1 VAL 142 0.032 -1.134 -8.379 491 3HG1 VAL 142 3HG1 VAL 142 -0.327 -0.215 -6.916 492 1HG2 VAL 142 1HG2 VAL 142 -0.142 -4.443 -7.020 493 2HG2 VAL 142 2HG2 VAL 142 -1.099 -3.636 -8.260 494 3HG2 VAL 142 3HG2 VAL 142 0.646 -3.394 -8.197 495 H GLN 143 H GLN 143 2.513 -1.485 -5.491 496 HA GLN 143 HA GLN 143 3.998 -3.708 -6.615 497 1HB GLN 143 1HB GLN 143 4.877 -1.538 -7.073 498 2HB GLN 143 2HB GLN 143 4.803 -1.067 -5.375 499 1HG GLN 143 1HG GLN 143 6.750 -2.146 -4.849 500 2HG GLN 143 2HG GLN 143 6.443 -3.464 -5.982 501 1HE2 GLN 143 1HE2 GLN 143 7.752 -0.058 -7.855 502 2HE2 GLN 143 2HE2 GLN 143 6.427 0.019 -6.798 503 H MET 144 H MET 144 2.876 -2.943 -3.521 504 HA MET 144 HA MET 144 5.008 -4.280 -2.014 505 1HB MET 144 1HB MET 144 2.305 -3.118 -1.327 506 2HB MET 144 2HB MET 144 3.223 -4.052 -0.155 507 1HG MET 144 1HG MET 144 3.475 -1.465 -0.183 508 2HG MET 144 2HG MET 144 4.921 -2.461 -0.016 509 1HE MET 144 1HE MET 144 6.607 -2.672 -1.233 510 2HE MET 144 2HE MET 144 6.230 -3.181 -2.885 511 3HE MET 144 3HE MET 144 7.139 -1.701 -2.602 512 H MET 145 H MET 145 1.543 -4.835 -2.539 513 HA MET 145 HA MET 145 1.412 -7.428 -1.462 514 1HB MET 145 1HB MET 145 -0.369 -7.611 -3.565 515 2HB MET 145 2HB MET 145 -0.746 -6.933 -1.991 516 1HG MET 145 1HG MET 145 0.514 -5.116 -4.008 517 2HG MET 145 2HG MET 145 -1.173 -5.563 -4.245 518 1HE MET 145 1HE MET 145 -2.802 -5.702 -2.354 519 2HE MET 145 2HE MET 145 -1.878 -5.970 -0.879 520 3HE MET 145 3HE MET 145 -2.923 -4.552 -1.026 521 H THR 146 H THR 146 2.674 -6.342 -4.544 522 HA THR 146 HA THR 146 3.365 -9.183 -5.163 523 HB THR 146 HB THR 146 1.730 -8.703 -6.782 524 HG1 THR 146 HG1 THR 146 3.283 -9.360 -8.069 525 1HG2 THR 146 1HG2 THR 146 2.873 -5.927 -6.657 526 2HG2 THR 146 2HG2 THR 146 1.941 -6.432 -8.067 527 3HG2 THR 146 3HG2 THR 146 1.198 -6.447 -6.467 528 H ALA 147 H ALA 147 4.895 -6.926 -3.855 529 HA ALA 147 HA ALA 147 6.794 -5.707 -5.482 530 1HB ALA 147 1HB ALA 147 6.614 -6.465 -2.704 531 2HB ALA 147 2HB ALA 147 8.253 -6.746 -3.290 532 3HB ALA 147 3HB ALA 147 7.529 -5.144 -3.429 533 H LYS 148 H LYS 148 7.890 -8.574 -3.705 534 HA LYS 148 HA LYS 148 8.648 -9.918 -6.222 535 1HB LYS 148 1HB LYS 148 11.035 -10.104 -5.492 536 2HB LYS 148 2HB LYS 148 10.558 -8.447 -5.860 537 1HG LYS 148 1HG LYS 148 9.927 -8.466 -3.257 538 2HG LYS 148 2HG LYS 148 11.191 -9.697 -3.228 539 1HD LYS 148 1HD LYS 148 12.847 -8.201 -3.730 540 2HD LYS 148 2HD LYS 148 11.805 -7.249 -4.789 541 1HE LYS 148 1HE LYS 148 10.604 -6.444 -2.702 542 2HE LYS 148 2HE LYS 148 11.894 -7.198 -1.764 543 1HZ LYS 148 1HZ LYS 148 13.498 -5.845 -2.999 544 2HZ LYS 148 2HZ LYS 148 12.222 -5.080 -3.820 545 3HZ LYS 148 3HZ LYS 148 12.391 -4.887 -2.140 No H/Q in entry = 545 Start of MODEL 9 Raw file had 555 H/Q atoms Start of MODEL 9 1 1H MET 76 1H MET 76 -10.107 -6.621 -19.278 2 2H MET 76 2H MET 76 -10.574 -6.959 -20.873 3 3H MET 76 3H MET 76 -9.016 -7.375 -20.340 4 HA MET 76 HA MET 76 -8.853 -5.419 -21.686 5 1HB MET 76 1HB MET 76 -10.049 -3.350 -20.921 6 2HB MET 76 2HB MET 76 -11.141 -4.620 -21.478 7 1HG MET 76 1HG MET 76 -11.832 -5.161 -19.308 8 2HG MET 76 2HG MET 76 -10.395 -4.452 -18.570 9 1HE MET 76 1HE MET 76 -13.739 -4.443 -19.227 10 2HE MET 76 2HE MET 76 -13.718 -3.627 -17.667 11 3HE MET 76 3HE MET 76 -14.413 -2.823 -19.081 12 H LYS 77 H LYS 77 -7.977 -3.143 -20.687 13 HA LYS 77 HA LYS 77 -6.026 -3.983 -18.646 14 1HB LYS 77 1HB LYS 77 -6.354 -1.392 -20.191 15 2HB LYS 77 2HB LYS 77 -5.029 -1.731 -19.076 16 1HG LYS 77 1HG LYS 77 -4.573 -3.820 -20.484 17 2HG LYS 77 2HG LYS 77 -5.666 -3.125 -21.681 18 1HD LYS 77 1HD LYS 77 -3.684 -1.202 -20.698 19 2HD LYS 77 2HD LYS 77 -2.954 -2.597 -21.493 20 1HE LYS 77 1HE LYS 77 -4.541 -2.244 -23.415 21 2HE LYS 77 2HE LYS 77 -5.062 -0.747 -22.640 22 1HZ LYS 77 1HZ LYS 77 -2.598 -0.169 -22.609 23 2HZ LYS 77 2HZ LYS 77 -2.406 -1.420 -23.741 24 3HZ LYS 77 3HZ LYS 77 -3.398 -0.094 -24.106 25 H ASP 78 H ASP 78 -6.219 -3.488 -16.508 26 HA ASP 78 HA ASP 78 -7.516 -1.076 -15.567 27 1HB ASP 78 1HB ASP 78 -9.332 -2.328 -14.297 28 2HB ASP 78 2HB ASP 78 -9.574 -2.218 -16.040 29 H THR 79 H THR 79 -7.730 -1.228 -13.060 30 HA THR 79 HA THR 79 -5.237 -2.460 -12.072 31 HB THR 79 HB THR 79 -6.898 -1.136 -10.070 32 HG1 THR 79 HG1 THR 79 -6.158 0.267 -12.420 33 1HG2 THR 79 1HG2 THR 79 -4.409 -1.613 -10.026 34 2HG2 THR 79 2HG2 THR 79 -4.220 -0.345 -11.236 35 3HG2 THR 79 3HG2 THR 79 -4.855 0.049 -9.638 36 H ASP 80 H ASP 80 -5.978 -4.701 -12.216 37 HA ASP 80 HA ASP 80 -8.227 -5.492 -10.480 38 1HB ASP 80 1HB ASP 80 -7.921 -7.700 -11.382 39 2HB ASP 80 2HB ASP 80 -7.742 -6.574 -12.728 40 H SER 81 H SER 81 -6.019 -4.259 -9.130 41 HA SER 81 HA SER 81 -5.208 -6.548 -7.407 42 1HB SER 81 1HB SER 81 -3.329 -5.938 -8.973 43 2HB SER 81 2HB SER 81 -3.315 -4.334 -8.245 44 HG SER 81 HG SER 81 -3.253 -6.540 -6.540 45 H GLU 82 H GLU 82 -5.391 -2.997 -7.751 46 HA GLU 82 HA GLU 82 -5.320 -2.660 -4.836 47 1HB GLU 82 1HB GLU 82 -6.099 -0.488 -6.765 48 2HB GLU 82 2HB GLU 82 -5.221 -0.353 -5.238 49 1HG GLU 82 1HG GLU 82 -3.395 -1.779 -6.407 50 2HG GLU 82 2HG GLU 82 -4.214 -1.340 -7.906 51 H GLU 83 H GLU 83 -7.650 -3.751 -6.858 52 HA GLU 83 HA GLU 83 -9.964 -2.233 -6.297 53 1HB GLU 83 1HB GLU 83 -9.448 -5.110 -6.947 54 2HB GLU 83 2HB GLU 83 -11.060 -4.653 -6.395 55 1HG GLU 83 1HG GLU 83 -11.315 -3.069 -8.185 56 2HG GLU 83 2HG GLU 83 -9.618 -3.228 -8.644 57 H GLU 84 H GLU 84 -8.354 -4.737 -4.367 58 HA GLU 84 HA GLU 84 -10.353 -4.313 -2.202 59 1HB GLU 84 1HB GLU 84 -9.608 -6.650 -3.013 60 2HB GLU 84 2HB GLU 84 -8.098 -6.320 -2.166 61 1HG GLU 84 1HG GLU 84 -9.505 -5.781 -0.115 62 2HG GLU 84 2HG GLU 84 -10.883 -6.449 -0.990 63 H ILE 85 H ILE 85 -7.090 -3.567 -3.097 64 HA ILE 85 HA ILE 85 -6.071 -3.117 -0.420 65 HB ILE 85 HB ILE 85 -5.169 -2.060 -3.111 66 1HG1 ILE 85 1HG1 ILE 85 -3.807 -4.131 -1.396 67 2HG1 ILE 85 2HG1 ILE 85 -5.100 -4.594 -2.502 68 1HG2 ILE 85 1HG2 ILE 85 -4.529 -0.685 -1.054 69 2HG2 ILE 85 2HG2 ILE 85 -3.601 -2.090 -0.528 70 3HG2 ILE 85 3HG2 ILE 85 -3.190 -1.276 -2.038 71 1HD1 ILE 85 1HD1 ILE 85 -2.933 -2.847 -3.576 72 2HD1 ILE 85 2HD1 ILE 85 -2.542 -4.541 -3.282 73 3HD1 ILE 85 3HD1 ILE 85 -3.853 -4.116 -4.382 74 H ARG 86 H ARG 86 -6.891 -0.756 -3.000 75 HA ARG 86 HA ARG 86 -6.744 1.584 -1.619 76 1HB ARG 86 1HB ARG 86 -7.905 0.821 -3.995 77 2HB ARG 86 2HB ARG 86 -9.275 1.452 -3.077 78 1HG ARG 86 1HG ARG 86 -6.642 2.876 -3.517 79 2HG ARG 86 2HG ARG 86 -8.152 3.245 -4.352 80 1HD ARG 86 1HD ARG 86 -8.728 3.212 -1.565 81 2HD ARG 86 2HD ARG 86 -7.264 4.174 -1.781 82 HE ARG 86 HE ARG 86 -8.529 5.757 -3.046 83 1HH1 ARG 86 1HH1 ARG 86 -10.129 3.701 -4.608 84 2HH1 ARG 86 2HH1 ARG 86 -11.733 4.008 -4.032 85 1HH2 ARG 86 1HH2 ARG 86 -10.680 5.825 -1.273 86 2HH2 ARG 86 2HH2 ARG 86 -12.046 5.210 -2.143 87 H GLU 87 H GLU 87 -9.566 -0.601 -1.481 88 HA GLU 87 HA GLU 87 -10.933 1.042 0.476 89 1HB GLU 87 1HB GLU 87 -12.289 -0.487 -0.784 90 2HB GLU 87 2HB GLU 87 -11.246 -1.851 -0.379 91 1HG GLU 87 1HG GLU 87 -11.964 -1.865 1.886 92 2HG GLU 87 2HG GLU 87 -12.703 -0.270 1.743 93 H ALA 88 H ALA 88 -8.780 -1.765 0.610 94 HA ALA 88 HA ALA 88 -8.790 -1.676 3.573 95 1HB ALA 88 1HB ALA 88 -7.700 -3.579 1.507 96 2HB ALA 88 2HB ALA 88 -7.078 -3.614 3.157 97 3HB ALA 88 3HB ALA 88 -8.789 -3.914 2.855 98 H PHE 89 H PHE 89 -7.871 0.594 3.159 99 HA PHE 89 HA PHE 89 -5.218 0.828 4.005 100 1HB PHE 89 1HB PHE 89 -5.134 -0.062 1.394 101 2HB PHE 89 2HB PHE 89 -5.058 1.682 1.189 102 HD1 PHE 89 HD1 PHE 89 -3.591 -1.011 3.324 103 HD2 PHE 89 HD2 PHE 89 -2.961 2.752 1.351 104 HE1 PHE 89 HE1 PHE 89 -1.204 -1.028 4.026 105 HE2 PHE 89 HE2 PHE 89 -0.602 2.711 2.065 106 HZ PHE 89 HZ PHE 89 0.277 0.843 3.384 107 H ARG 90 H ARG 90 -7.916 2.055 2.176 108 HA ARG 90 HA ARG 90 -7.315 4.809 2.126 109 1HB ARG 90 1HB ARG 90 -9.776 5.110 2.014 110 2HB ARG 90 2HB ARG 90 -9.241 3.823 0.931 111 1HG ARG 90 1HG ARG 90 -10.188 2.167 2.195 112 2HG ARG 90 2HG ARG 90 -9.946 3.036 3.712 113 1HD ARG 90 1HD ARG 90 -12.312 3.037 3.291 114 2HD ARG 90 2HD ARG 90 -11.734 4.666 2.935 115 HE ARG 90 HE ARG 90 -11.639 3.745 0.478 116 1HH1 ARG 90 1HH1 ARG 90 -12.873 1.660 -0.268 117 2HH1 ARG 90 2HH1 ARG 90 -14.573 1.770 0.038 118 1HH2 ARG 90 1HH2 ARG 90 -14.272 4.411 2.263 119 2HH2 ARG 90 2HH2 ARG 90 -15.365 3.328 1.471 120 H VAL 91 H VAL 91 -8.101 2.633 4.630 121 HA VAL 91 HA VAL 91 -9.325 4.040 6.606 122 HB VAL 91 HB VAL 91 -6.821 2.363 6.922 123 1HG1 VAL 91 1HG1 VAL 91 -8.815 3.501 8.856 124 2HG1 VAL 91 2HG1 VAL 91 -8.082 1.933 9.196 125 3HG1 VAL 91 3HG1 VAL 91 -7.063 3.361 9.010 126 1HG2 VAL 91 1HG2 VAL 91 -9.186 1.600 5.817 127 2HG2 VAL 91 2HG2 VAL 91 -8.153 0.513 6.746 128 3HG2 VAL 91 3HG2 VAL 91 -9.526 1.302 7.523 129 H PHE 92 H PHE 92 -6.064 4.572 5.406 130 HA PHE 92 HA PHE 92 -5.679 6.710 7.441 131 1HB PHE 92 1HB PHE 92 -3.666 5.504 5.532 132 2HB PHE 92 2HB PHE 92 -3.328 6.532 6.925 133 HD1 PHE 92 HD1 PHE 92 -3.637 5.703 9.215 134 HD2 PHE 92 HD2 PHE 92 -4.293 3.156 5.817 135 HE1 PHE 92 HE1 PHE 92 -3.593 3.714 10.698 136 HE2 PHE 92 HE2 PHE 92 -4.248 1.170 7.301 137 HZ PHE 92 HZ PHE 92 -3.898 1.449 9.739 138 H ASP 93 H ASP 93 -5.503 6.126 3.919 139 HA ASP 93 HA ASP 93 -5.226 9.036 3.468 140 1HB ASP 93 1HB ASP 93 -4.938 6.579 1.767 141 2HB ASP 93 2HB ASP 93 -5.241 8.134 0.992 142 H LYS 94 H LYS 94 -7.758 7.750 4.504 143 HA LYS 94 HA LYS 94 -9.802 7.477 2.639 144 1HB LYS 94 1HB LYS 94 -9.863 9.000 5.266 145 2HB LYS 94 2HB LYS 94 -11.304 8.569 4.345 146 1HG LYS 94 1HG LYS 94 -10.282 6.146 4.428 147 2HG LYS 94 2HG LYS 94 -9.392 6.780 5.813 148 1HD LYS 94 1HD LYS 94 -12.390 7.080 5.553 149 2HD LYS 94 2HD LYS 94 -11.649 5.681 6.328 150 1HE LYS 94 1HE LYS 94 -10.412 7.260 7.844 151 2HE LYS 94 2HE LYS 94 -11.347 8.583 7.145 152 1HZ LYS 94 1HZ LYS 94 -13.374 7.465 7.849 153 2HZ LYS 94 2HZ LYS 94 -12.462 6.209 8.539 154 3HZ LYS 94 3HZ LYS 94 -12.365 7.782 9.174 155 H ASP 95 H ASP 95 -9.571 10.596 4.297 156 HA ASP 95 HA ASP 95 -9.918 11.926 1.641 157 1HB ASP 95 1HB ASP 95 -11.603 12.089 3.793 158 2HB ASP 95 2HB ASP 95 -10.540 13.465 4.091 159 H GLY 96 H GLY 96 -7.481 11.087 3.329 160 1HA GLY 96 1HA GLY 96 -6.248 13.589 4.152 161 2HA GLY 96 2HA GLY 96 -5.444 12.023 4.050 162 H ASN 97 H ASN 97 -4.934 11.257 1.763 163 HA ASN 97 HA ASN 97 -4.830 13.343 -0.300 164 1HB ASN 97 1HB ASN 97 -2.886 13.770 1.336 165 2HB ASN 97 2HB ASN 97 -2.184 12.283 0.697 166 1HD2 ASN 97 1HD2 ASN 97 -1.374 15.511 -1.335 167 2HD2 ASN 97 2HD2 ASN 97 -1.587 15.369 0.343 168 H GLY 98 H GLY 98 -3.774 10.139 0.787 169 1HA GLY 98 1HA GLY 98 -4.595 8.337 -0.869 170 2HA GLY 98 2HA GLY 98 -3.689 9.270 -2.067 171 H TYR 99 H TYR 99 -1.557 10.002 -0.239 172 HA TYR 99 HA TYR 99 -0.133 7.392 -0.179 173 1HB TYR 99 1HB TYR 99 1.909 8.639 -0.262 174 2HB TYR 99 2HB TYR 99 0.832 9.411 -1.426 175 HD1 TYR 99 HD1 TYR 99 2.401 9.697 1.900 176 HD2 TYR 99 HD2 TYR 99 -0.132 11.606 -0.997 177 HE1 TYR 99 HE1 TYR 99 2.606 11.839 3.133 178 HE2 TYR 99 HE2 TYR 99 0.073 13.748 0.236 179 HH TYR 99 HH TYR 99 2.367 14.439 2.349 180 H ILE 100 H ILE 100 0.958 6.728 1.717 181 HA ILE 100 HA ILE 100 0.323 8.309 4.151 182 HB ILE 100 HB ILE 100 -0.049 5.898 5.179 183 1HG1 ILE 100 1HG1 ILE 100 -0.663 5.553 2.233 184 2HG1 ILE 100 2HG1 ILE 100 0.408 4.563 3.224 185 1HG2 ILE 100 1HG2 ILE 100 -1.673 8.013 4.298 186 2HG2 ILE 100 2HG2 ILE 100 -2.454 6.550 3.700 187 3HG2 ILE 100 3HG2 ILE 100 -2.130 6.735 5.422 188 1HD1 ILE 100 1HD1 ILE 100 -2.290 4.735 4.328 189 2HD1 ILE 100 2HD1 ILE 100 -2.250 4.045 2.708 190 3HD1 ILE 100 3HD1 ILE 100 -1.291 3.319 4.001 191 H SER 101 H SER 101 1.471 6.919 6.086 192 HA SER 101 HA SER 101 4.324 6.963 5.341 193 1HB SER 101 1HB SER 101 2.874 6.685 7.981 194 2HB SER 101 2HB SER 101 4.630 6.682 7.829 195 HG SER 101 HG SER 101 3.447 8.771 8.235 196 H ALA 102 H ALA 102 5.664 5.193 6.618 197 HA ALA 102 HA ALA 102 4.941 2.623 5.508 198 1HB ALA 102 1HB ALA 102 7.137 3.709 7.204 199 2HB ALA 102 2HB ALA 102 6.829 1.977 7.332 200 3HB ALA 102 3HB ALA 102 7.227 2.687 5.768 201 H ALA 103 H ALA 103 4.572 4.174 8.649 202 HA ALA 103 HA ALA 103 3.813 1.847 10.123 203 1HB ALA 103 1HB ALA 103 4.030 4.603 10.647 204 2HB ALA 103 2HB ALA 103 2.336 4.210 10.943 205 3HB ALA 103 3HB ALA 103 3.606 3.343 11.807 206 H GLU 104 H GLU 104 2.258 3.652 7.661 207 HA GLU 104 HA GLU 104 -0.471 2.908 8.339 208 1HB GLU 104 1HB GLU 104 0.890 4.443 6.267 209 2HB GLU 104 2HB GLU 104 -0.332 3.373 5.558 210 1HG GLU 104 1HG GLU 104 -1.772 5.047 6.126 211 2HG GLU 104 2HG GLU 104 -1.672 4.337 7.737 212 H LEU 105 H LEU 105 1.858 1.850 5.874 213 HA LEU 105 HA LEU 105 0.407 -0.338 4.832 214 1HB LEU 105 1HB LEU 105 2.997 0.775 4.598 215 2HB LEU 105 2HB LEU 105 3.212 -0.936 4.946 216 HG LEU 105 HG LEU 105 1.066 -0.661 3.074 217 1HD1 LEU 105 1HD1 LEU 105 2.382 1.547 2.705 218 2HD1 LEU 105 2HD1 LEU 105 3.630 0.511 2.012 219 3HD1 LEU 105 3HD1 LEU 105 2.019 0.549 1.297 220 1HD2 LEU 105 1HD2 LEU 105 3.805 -1.889 3.200 221 2HD2 LEU 105 2HD2 LEU 105 2.241 -2.678 3.005 222 3HD2 LEU 105 3HD2 LEU 105 2.978 -1.830 1.645 223 H ARG 106 H ARG 106 3.014 -0.466 7.326 224 HA ARG 106 HA ARG 106 2.972 -3.152 7.946 225 1HB ARG 106 1HB ARG 106 3.485 -2.542 10.293 226 2HB ARG 106 2HB ARG 106 4.404 -1.574 9.144 227 1HG ARG 106 1HG ARG 106 3.638 0.096 10.532 228 2HG ARG 106 2HG ARG 106 2.307 0.043 9.377 229 1HD ARG 106 1HD ARG 106 0.899 -0.452 11.061 230 2HD ARG 106 2HD ARG 106 1.794 -1.946 11.345 231 HE ARG 106 HE ARG 106 3.330 -0.429 12.794 232 1HH1 ARG 106 1HH1 ARG 106 0.010 -0.870 12.963 233 2HH1 ARG 106 2HH1 ARG 106 -0.279 0.399 14.106 234 1HH2 ARG 106 1HH2 ARG 106 2.955 1.640 13.952 235 2HH2 ARG 106 2HH2 ARG 106 1.387 1.819 14.666 236 H HIS 107 H HIS 107 0.624 -0.762 9.097 237 HA HIS 107 HA HIS 107 -0.879 -2.660 10.673 238 1HB HIS 107 1HB HIS 107 -0.962 -0.263 11.154 239 2HB HIS 107 2HB HIS 107 -1.675 0.048 9.570 240 HD1 HIS 107 HD1 HIS 107 -2.711 -0.216 12.916 241 HD2 HIS 107 HD2 HIS 107 -4.183 -1.842 9.367 242 HE1 HIS 107 HE1 HIS 107 -5.117 -0.863 13.367 243 H VAL 108 H VAL 108 -1.227 -1.486 7.323 244 HA VAL 108 HA VAL 108 -3.748 -3.016 7.069 245 HB VAL 108 HB VAL 108 -2.669 -1.918 4.593 246 1HG1 VAL 108 1HG1 VAL 108 -5.177 -2.173 6.085 247 2HG1 VAL 108 2HG1 VAL 108 -5.031 -0.635 5.232 248 3HG1 VAL 108 3HG1 VAL 108 -4.897 -2.151 4.346 249 1HG2 VAL 108 1HG2 VAL 108 -2.854 -0.209 7.059 250 2HG2 VAL 108 2HG2 VAL 108 -1.693 -0.133 5.738 251 3HG2 VAL 108 3HG2 VAL 108 -3.329 0.474 5.504 252 H MET 109 H MET 109 -0.672 -2.960 5.165 253 HA MET 109 HA MET 109 -1.243 -5.331 3.741 254 1HB MET 109 1HB MET 109 0.753 -3.579 3.628 255 2HB MET 109 2HB MET 109 1.570 -4.821 4.579 256 1HG MET 109 1HG MET 109 1.010 -6.507 2.872 257 2HG MET 109 2HG MET 109 0.180 -5.274 1.922 258 1HE MET 109 1HE MET 109 3.243 -5.736 4.021 259 2HE MET 109 2HE MET 109 4.590 -5.043 3.121 260 3HE MET 109 3HE MET 109 3.390 -3.981 3.856 261 H THR 110 H THR 110 -0.752 -5.114 7.108 262 HA THR 110 HA THR 110 0.531 -7.748 7.366 263 HB THR 110 HB THR 110 1.022 -5.905 8.963 264 HG1 THR 110 HG1 THR 110 0.824 -8.330 9.464 265 1HG2 THR 110 1HG2 THR 110 -1.586 -5.320 8.857 266 2HG2 THR 110 2HG2 THR 110 -1.605 -6.345 10.292 267 3HG2 THR 110 3HG2 THR 110 -0.593 -4.901 10.253 268 H ASN 111 H ASN 111 -2.680 -6.577 7.103 269 HA ASN 111 HA ASN 111 -3.705 -9.203 8.088 270 1HB ASN 111 1HB ASN 111 -5.897 -7.804 8.412 271 2HB ASN 111 2HB ASN 111 -4.623 -7.691 9.626 272 1HD2 ASN 111 1HD2 ASN 111 -4.725 -4.184 9.212 273 2HD2 ASN 111 2HD2 ASN 111 -4.872 -5.501 10.274 274 H LEU 112 H LEU 112 -3.856 -6.687 5.662 275 HA LEU 112 HA LEU 112 -6.016 -7.236 4.080 276 1HB LEU 112 1HB LEU 112 -3.192 -6.505 3.492 277 2HB LEU 112 2HB LEU 112 -4.160 -7.056 2.128 278 HG LEU 112 HG LEU 112 -4.120 -4.497 2.762 279 1HD1 LEU 112 1HD1 LEU 112 -5.736 -6.054 1.247 280 2HD1 LEU 112 2HD1 LEU 112 -6.910 -5.462 2.422 281 3HD1 LEU 112 3HD1 LEU 112 -5.985 -4.320 1.448 282 1HD2 LEU 112 1HD2 LEU 112 -4.793 -5.098 5.174 283 2HD2 LEU 112 2HD2 LEU 112 -5.719 -3.818 4.398 284 3HD2 LEU 112 3HD2 LEU 112 -6.396 -5.438 4.526 285 H GLY 113 H GLY 113 -3.194 -8.628 2.594 286 1HA GLY 113 1HA GLY 113 -4.284 -11.370 2.888 287 2HA GLY 113 2HA GLY 113 -4.110 -10.723 1.254 288 H GLU 114 H GLU 114 -1.793 -9.532 3.445 289 HA GLU 114 HA GLU 114 0.240 -11.413 2.318 290 1HB GLU 114 1HB GLU 114 0.445 -8.510 3.157 291 2HB GLU 114 2HB GLU 114 1.854 -9.514 2.809 292 1HG GLU 114 1HG GLU 114 -0.417 -9.226 0.839 293 2HG GLU 114 2HG GLU 114 0.939 -8.099 0.867 294 H LYS 115 H LYS 115 -0.562 -9.471 5.214 295 HA LYS 115 HA LYS 115 0.188 -9.737 7.434 296 1HB LYS 115 1HB LYS 115 0.047 -12.427 7.919 297 2HB LYS 115 2HB LYS 115 -1.342 -11.344 7.938 298 1HG LYS 115 1HG LYS 115 -1.566 -11.816 5.435 299 2HG LYS 115 2HG LYS 115 -0.405 -13.121 5.679 300 1HD LYS 115 1HD LYS 115 -2.186 -13.554 7.730 301 2HD LYS 115 2HD LYS 115 -3.242 -12.974 6.441 302 1HE LYS 115 1HE LYS 115 -2.386 -14.666 4.914 303 2HE LYS 115 2HE LYS 115 -1.204 -15.193 6.113 304 1HZ LYS 115 1HZ LYS 115 -3.323 -15.490 7.570 305 2HZ LYS 115 2HZ LYS 115 -4.112 -15.588 6.071 306 3HZ LYS 115 3HZ LYS 115 -2.876 -16.690 6.454 307 H LEU 116 H LEU 116 2.370 -9.182 7.348 308 HA LEU 116 HA LEU 116 4.242 -11.505 7.261 309 1HB LEU 116 1HB LEU 116 5.923 -9.832 6.282 310 2HB LEU 116 2HB LEU 116 4.636 -10.362 5.199 311 HG LEU 116 HG LEU 116 4.314 -7.880 6.887 312 1HD1 LEU 116 1HD1 LEU 116 6.085 -8.302 4.581 313 2HD1 LEU 116 2HD1 LEU 116 4.935 -6.983 4.351 314 3HD1 LEU 116 3HD1 LEU 116 6.034 -6.967 5.731 315 1HD2 LEU 116 1HD2 LEU 116 2.809 -9.311 4.849 316 2HD2 LEU 116 2HD2 LEU 116 2.290 -7.983 5.887 317 3HD2 LEU 116 3HD2 LEU 116 3.107 -7.643 4.361 318 H THR 117 H THR 117 5.872 -8.586 7.701 319 HA THR 117 HA THR 117 5.464 -8.626 10.646 320 HB THR 117 HB THR 117 8.239 -8.256 9.594 321 HG1 THR 117 HG1 THR 117 7.381 -10.165 8.594 322 1HG2 THR 117 1HG2 THR 117 7.102 -8.292 12.081 323 2HG2 THR 117 2HG2 THR 117 7.659 -9.960 11.928 324 3HG2 THR 117 3HG2 THR 117 8.804 -8.628 11.762 325 H ASP 118 H ASP 118 6.504 -6.566 11.611 326 HA ASP 118 HA ASP 118 5.631 -4.306 9.981 327 1HB ASP 118 1HB ASP 118 5.220 -4.174 12.353 328 2HB ASP 118 2HB ASP 118 6.916 -4.492 12.724 329 H GLU 119 H GLU 119 8.693 -5.814 10.812 330 HA GLU 119 HA GLU 119 10.267 -3.554 9.818 331 1HB GLU 119 1HB GLU 119 12.201 -5.007 10.171 332 2HB GLU 119 2HB GLU 119 11.137 -5.109 11.573 333 1HG GLU 119 1HG GLU 119 10.154 -7.187 10.688 334 2HG GLU 119 2HG GLU 119 11.204 -7.087 9.274 335 H GLU 120 H GLU 120 8.707 -6.316 8.476 336 HA GLU 120 HA GLU 120 10.367 -6.315 6.038 337 1HB GLU 120 1HB GLU 120 7.741 -7.760 6.500 338 2HB GLU 120 2HB GLU 120 8.978 -8.138 5.300 339 1HG GLU 120 1HG GLU 120 9.916 -8.080 8.109 340 2HG GLU 120 2HG GLU 120 8.801 -9.385 7.711 341 H VAL 121 H VAL 121 7.031 -5.503 6.979 342 HA VAL 121 HA VAL 121 6.211 -4.502 4.425 343 HB VAL 121 HB VAL 121 4.491 -4.951 6.027 344 1HG1 VAL 121 1HG1 VAL 121 6.383 -4.042 7.891 345 2HG1 VAL 121 2HG1 VAL 121 5.023 -2.930 8.019 346 3HG1 VAL 121 3HG1 VAL 121 4.769 -4.661 8.231 347 1HG2 VAL 121 1HG2 VAL 121 4.682 -2.518 4.752 348 2HG2 VAL 121 2HG2 VAL 121 3.240 -3.114 5.574 349 3HG2 VAL 121 3HG2 VAL 121 4.359 -2.044 6.420 350 H ASP 122 H ASP 122 7.730 -2.978 7.238 351 HA ASP 122 HA ASP 122 7.674 -0.307 6.080 352 1HB ASP 122 1HB ASP 122 7.731 -0.587 8.503 353 2HB ASP 122 2HB ASP 122 9.254 -1.468 8.392 354 H GLU 123 H GLU 123 10.127 -2.873 6.345 355 HA GLU 123 HA GLU 123 12.211 -1.263 5.121 356 1HB GLU 123 1HB GLU 123 12.591 -3.274 6.616 357 2HB GLU 123 2HB GLU 123 12.076 -4.285 5.264 358 1HG GLU 123 1HG GLU 123 14.372 -4.245 4.913 359 2HG GLU 123 2HG GLU 123 13.869 -2.867 3.932 360 H MET 124 H MET 124 9.501 -2.968 3.897 361 HA MET 124 HA MET 124 10.727 -3.325 1.224 362 1HB MET 124 1HB MET 124 9.265 -5.109 2.143 363 2HB MET 124 2HB MET 124 7.924 -3.964 2.192 364 1HG MET 124 1HG MET 124 7.474 -4.386 0.031 365 2HG MET 124 2HG MET 124 9.096 -3.856 -0.415 366 1HE MET 124 1HE MET 124 10.549 -4.840 -1.323 367 2HE MET 124 2HE MET 124 11.082 -6.519 -1.289 368 3HE MET 124 3HE MET 124 9.810 -6.029 -2.406 369 H ILE 125 H ILE 125 8.805 -1.053 2.957 370 HA ILE 125 HA ILE 125 7.395 0.065 0.690 371 HB ILE 125 HB ILE 125 7.663 0.603 3.540 372 1HG1 ILE 125 1HG1 ILE 125 5.540 1.953 2.044 373 2HG1 ILE 125 2HG1 ILE 125 5.692 0.244 1.644 374 1HG2 ILE 125 1HG2 ILE 125 8.905 2.625 2.732 375 2HG2 ILE 125 2HG2 ILE 125 7.493 3.061 1.769 376 3HG2 ILE 125 3HG2 ILE 125 7.383 3.021 3.529 377 1HD1 ILE 125 1HD1 ILE 125 5.981 0.405 4.447 378 2HD1 ILE 125 2HD1 ILE 125 4.621 1.451 4.041 379 3HD1 ILE 125 3HD1 ILE 125 4.607 -0.244 3.555 380 H ARG 126 H ARG 126 10.665 -0.005 1.433 381 HA ARG 126 HA ARG 126 11.401 2.667 0.589 382 1HB ARG 126 1HB ARG 126 13.148 0.215 0.313 383 2HB ARG 126 2HB ARG 126 13.643 1.883 0.605 384 1HG ARG 126 1HG ARG 126 12.345 1.728 2.807 385 2HG ARG 126 2HG ARG 126 12.277 -0.012 2.523 386 1HD ARG 126 1HD ARG 126 14.736 1.710 2.894 387 2HD ARG 126 2HD ARG 126 14.210 0.343 3.879 388 HE ARG 126 HE ARG 126 14.591 -0.626 1.248 389 1HH1 ARG 126 1HH1 ARG 126 16.227 0.366 4.096 390 2HH1 ARG 126 2HH1 ARG 126 17.769 -0.240 3.591 391 1HH2 ARG 126 1HH2 ARG 126 16.649 -1.237 0.463 392 2HH2 ARG 126 2HH2 ARG 126 18.008 -1.147 1.534 393 H GLU 127 H GLU 127 9.958 0.167 -1.058 394 HA GLU 127 HA GLU 127 11.304 0.754 -3.637 395 1HB GLU 127 1HB GLU 127 9.546 -1.455 -2.598 396 2HB GLU 127 2HB GLU 127 9.706 -1.196 -4.338 397 1HG GLU 127 1HG GLU 127 11.380 -2.817 -3.649 398 2HG GLU 127 2HG GLU 127 12.200 -1.312 -4.069 399 H ALA 128 H ALA 128 8.175 1.013 -1.976 400 HA ALA 128 HA ALA 128 6.937 2.055 -4.469 401 1HB ALA 128 1HB ALA 128 5.995 0.842 -1.963 402 2HB ALA 128 2HB ALA 128 5.016 2.206 -2.507 403 3HB ALA 128 3HB ALA 128 5.262 0.818 -3.568 404 H ASP 129 H ASP 129 8.169 3.152 -1.410 405 HA ASP 129 HA ASP 129 6.868 5.782 -1.666 406 1HB ASP 129 1HB ASP 129 6.967 5.017 0.574 407 2HB ASP 129 2HB ASP 129 8.646 4.500 0.408 408 H ILE 130 H ILE 130 10.273 4.863 -1.038 409 HA ILE 130 HA ILE 130 12.229 6.049 -1.636 410 HB ILE 130 HB ILE 130 12.520 6.165 -4.088 411 1HG1 ILE 130 1HG1 ILE 130 9.629 5.279 -4.271 412 2HG1 ILE 130 2HG1 ILE 130 10.129 6.958 -4.479 413 1HG2 ILE 130 1HG2 ILE 130 12.749 3.997 -2.916 414 2HG2 ILE 130 2HG2 ILE 130 11.033 3.684 -3.174 415 3HG2 ILE 130 3HG2 ILE 130 12.129 3.782 -4.553 416 1HD1 ILE 130 1HD1 ILE 130 11.806 6.024 -6.223 417 2HD1 ILE 130 2HD1 ILE 130 10.804 4.573 -6.194 418 3HD1 ILE 130 3HD1 ILE 130 10.106 6.116 -6.682 419 H ASP 131 H ASP 131 10.343 7.819 -0.555 420 HA ASP 131 HA ASP 131 9.916 10.120 -0.425 421 1HB ASP 131 1HB ASP 131 12.394 9.878 -2.023 422 2HB ASP 131 2HB ASP 131 11.519 11.398 -2.219 423 H GLY 132 H GLY 132 10.903 10.398 -3.779 424 1HA GLY 132 1HA GLY 132 9.664 11.181 -5.624 425 2HA GLY 132 2HA GLY 132 8.543 9.895 -5.170 426 H ASP 133 H ASP 133 6.554 10.859 -5.295 427 HA ASP 133 HA ASP 133 6.197 13.585 -4.179 428 1HB ASP 133 1HB ASP 133 5.203 12.967 -6.406 429 2HB ASP 133 2HB ASP 133 4.166 11.811 -5.569 430 H GLY 134 H GLY 134 4.062 10.724 -4.054 431 1HA GLY 134 1HA GLY 134 3.614 11.332 -1.168 432 2HA GLY 134 2HA GLY 134 2.503 10.417 -2.193 433 H GLN 135 H GLN 135 4.374 9.910 0.345 434 HA GLN 135 HA GLN 135 6.251 7.940 -0.108 435 1HB GLN 135 1HB GLN 135 4.099 7.993 2.026 436 2HB GLN 135 2HB GLN 135 5.484 6.900 2.057 437 1HG GLN 135 1HG GLN 135 6.242 9.690 1.569 438 2HG GLN 135 2HG GLN 135 5.437 9.457 3.121 439 1HE2 GLN 135 1HE2 GLN 135 9.243 8.534 3.004 440 2HE2 GLN 135 2HE2 GLN 135 8.454 9.717 2.076 441 H VAL 136 H VAL 136 3.304 6.529 1.143 442 HA VAL 136 HA VAL 136 3.383 4.582 -1.119 443 HB VAL 136 HB VAL 136 3.414 3.107 0.602 444 1HG1 VAL 136 1HG1 VAL 136 3.941 5.051 2.140 445 2HG1 VAL 136 2HG1 VAL 136 2.217 5.129 2.501 446 3HG1 VAL 136 3HG1 VAL 136 3.139 3.684 2.912 447 1HG2 VAL 136 1HG2 VAL 136 0.877 3.311 -0.151 448 2HG2 VAL 136 2HG2 VAL 136 1.321 2.298 1.217 449 3HG2 VAL 136 3HG2 VAL 136 0.674 3.913 1.490 450 H ASN 137 H ASN 137 2.065 5.612 -2.630 451 HA ASN 137 HA ASN 137 -0.592 6.531 -1.675 452 1HB ASN 137 1HB ASN 137 -0.693 7.958 -3.513 453 2HB ASN 137 2HB ASN 137 0.990 8.027 -3.000 454 1HD2 ASN 137 1HD2 ASN 137 1.485 5.430 -5.862 455 2HD2 ASN 137 2HD2 ASN 137 1.310 5.147 -4.200 456 H TYR 138 H TYR 138 -0.527 3.800 -1.822 457 HA TYR 138 HA TYR 138 -1.797 2.041 -2.705 458 1HB TYR 138 1HB TYR 138 -3.143 4.351 -4.123 459 2HB TYR 138 2HB TYR 138 -3.762 2.701 -4.075 460 HD1 TYR 138 HD1 TYR 138 -2.390 5.261 -1.685 461 HD2 TYR 138 HD2 TYR 138 -5.266 2.189 -2.450 462 HE1 TYR 138 HE1 TYR 138 -3.357 5.638 0.557 463 HE2 TYR 138 HE2 TYR 138 -6.257 2.566 -0.195 464 HH TYR 138 HH TYR 138 -4.687 4.501 2.185 465 H GLU 139 H GLU 139 -1.922 4.066 -5.608 466 HA GLU 139 HA GLU 139 -1.589 2.171 -7.504 467 1HB GLU 139 1HB GLU 139 0.078 4.673 -7.730 468 2HB GLU 139 2HB GLU 139 -0.808 3.825 -8.997 469 1HG GLU 139 1HG GLU 139 -2.925 4.406 -7.617 470 2HG GLU 139 2HG GLU 139 -1.892 5.581 -6.800 471 H GLU 140 H GLU 140 0.949 3.400 -5.399 472 HA GLU 140 HA GLU 140 2.929 1.630 -6.736 473 1HB GLU 140 1HB GLU 140 3.096 4.038 -4.982 474 2HB GLU 140 2HB GLU 140 4.407 2.863 -4.880 475 1HG GLU 140 1HG GLU 140 3.458 3.765 -7.581 476 2HG GLU 140 2HG GLU 140 4.532 4.811 -6.650 477 H PHE 141 H PHE 141 1.071 2.017 -3.820 478 HA PHE 141 HA PHE 141 2.612 0.278 -2.114 479 1HB PHE 141 1HB PHE 141 1.133 1.728 -1.028 480 2HB PHE 141 2HB PHE 141 -0.203 1.335 -2.100 481 HD1 PHE 141 HD1 PHE 141 2.092 -1.065 -0.398 482 HD2 PHE 141 HD2 PHE 141 -1.848 0.623 -0.562 483 HE1 PHE 141 HE1 PHE 141 1.301 -2.752 1.222 484 HE2 PHE 141 HE2 PHE 141 -2.641 -1.065 1.058 485 HZ PHE 141 HZ PHE 141 -1.071 -2.750 1.966 486 H VAL 142 H VAL 142 0.046 -0.385 -4.464 487 HA VAL 142 HA VAL 142 -0.518 -3.054 -3.608 488 HB VAL 142 HB VAL 142 -2.067 -2.038 -5.116 489 1HG1 VAL 142 1HG1 VAL 142 0.420 -1.405 -6.669 490 2HG1 VAL 142 2HG1 VAL 142 -1.111 -1.551 -7.532 491 3HG1 VAL 142 3HG1 VAL 142 -0.932 -0.354 -6.250 492 1HG2 VAL 142 1HG2 VAL 142 -1.049 -4.519 -5.580 493 2HG2 VAL 142 2HG2 VAL 142 -2.395 -3.837 -6.493 494 3HG2 VAL 142 3HG2 VAL 142 -0.757 -3.761 -7.145 495 H GLN 143 H GLN 143 2.256 -1.679 -4.992 496 HA GLN 143 HA GLN 143 3.171 -3.898 -6.583 497 1HB GLN 143 1HB GLN 143 4.095 -1.554 -6.680 498 2HB GLN 143 2HB GLN 143 4.869 -1.856 -5.123 499 1HG GLN 143 1HG GLN 143 6.153 -3.695 -6.057 500 2HG GLN 143 2HG GLN 143 5.298 -3.559 -7.593 501 1HE2 GLN 143 1HE2 GLN 143 6.918 -0.303 -8.276 502 2HE2 GLN 143 2HE2 GLN 143 5.334 -0.911 -8.220 503 H MET 144 H MET 144 3.446 -3.066 -3.153 504 HA MET 144 HA MET 144 5.310 -5.237 -2.583 505 1HB MET 144 1HB MET 144 3.710 -4.447 -0.283 506 2HB MET 144 2HB MET 144 5.449 -4.319 -0.523 507 1HG MET 144 1HG MET 144 4.856 -2.325 -2.068 508 2HG MET 144 2HG MET 144 3.294 -2.354 -1.248 509 1HE MET 144 1HE MET 144 4.295 -0.133 -1.400 510 2HE MET 144 2HE MET 144 3.585 0.178 0.181 511 3HE MET 144 3HE MET 144 5.252 0.651 -0.130 512 H MET 145 H MET 145 1.811 -4.811 -2.481 513 HA MET 145 HA MET 145 1.106 -7.186 -1.108 514 1HB MET 145 1HB MET 145 -0.399 -5.974 -3.444 515 2HB MET 145 2HB MET 145 -1.069 -6.963 -2.145 516 1HG MET 145 1HG MET 145 0.416 -4.548 -1.277 517 2HG MET 145 2HG MET 145 -1.104 -4.246 -2.118 518 1HE MET 145 1HE MET 145 -2.900 -5.895 -1.895 519 2HE MET 145 2HE MET 145 -2.752 -7.275 -0.798 520 3HE MET 145 3HE MET 145 -3.776 -5.908 -0.366 521 H THR 146 H THR 146 1.126 -6.726 -4.664 522 HA THR 146 HA THR 146 1.332 -9.659 -4.986 523 HB THR 146 HB THR 146 -0.233 -8.712 -6.493 524 HG1 THR 146 HG1 THR 146 0.864 -9.993 -7.791 525 1HG2 THR 146 1HG2 THR 146 1.853 -6.563 -6.855 526 2HG2 THR 146 2HG2 THR 146 0.525 -6.766 -7.998 527 3HG2 THR 146 3HG2 THR 146 0.185 -6.387 -6.309 528 H ALA 147 H ALA 147 3.586 -8.004 -3.934 529 HA ALA 147 HA ALA 147 5.565 -8.022 -6.113 530 1HB ALA 147 1HB ALA 147 5.379 -6.947 -3.389 531 2HB ALA 147 2HB ALA 147 6.961 -7.636 -3.757 532 3HB ALA 147 3HB ALA 147 6.301 -6.352 -4.770 533 H LYS 148 H LYS 148 4.495 -10.581 -5.696 534 HA LYS 148 HA LYS 148 5.731 -12.304 -3.895 535 1HB LYS 148 1HB LYS 148 5.419 -14.078 -5.532 536 2HB LYS 148 2HB LYS 148 4.048 -12.973 -5.630 537 1HG LYS 148 1HG LYS 148 6.269 -12.170 -7.361 538 2HG LYS 148 2HG LYS 148 5.629 -13.764 -7.765 539 1HD LYS 148 1HD LYS 148 3.913 -11.294 -7.385 540 2HD LYS 148 2HD LYS 148 4.457 -11.890 -8.955 541 1HE LYS 148 1HE LYS 148 3.297 -14.004 -8.604 542 2HE LYS 148 2HE LYS 148 2.837 -13.515 -6.973 543 1HZ LYS 148 1HZ LYS 148 1.909 -11.465 -8.387 544 2HZ LYS 148 2HZ LYS 148 1.736 -12.707 -9.533 545 3HZ LYS 148 3HZ LYS 148 0.983 -12.836 -8.016 No H/Q in entry = 545 Start of MODEL 10 Raw file had 555 H/Q atoms Start of MODEL 10 1 1H MET 76 1H MET 76 -3.726 3.205 -17.859 2 2H MET 76 2H MET 76 -3.865 1.723 -17.041 3 3H MET 76 3H MET 76 -3.138 1.780 -18.572 4 HA MET 76 HA MET 76 -5.175 2.274 -19.642 5 1HB MET 76 1HB MET 76 -4.968 -0.009 -17.780 6 2HB MET 76 2HB MET 76 -6.608 0.351 -18.321 7 1HG MET 76 1HG MET 76 -6.041 -0.889 -20.142 8 2HG MET 76 2HG MET 76 -5.213 0.577 -20.665 9 1HE MET 76 1HE MET 76 -4.630 -1.622 -21.935 10 2HE MET 76 2HE MET 76 -2.949 -2.138 -21.823 11 3HE MET 76 3HE MET 76 -4.218 -3.058 -21.002 12 H LYS 77 H LYS 77 -7.754 1.769 -18.754 13 HA LYS 77 HA LYS 77 -8.265 4.214 -17.167 14 1HB LYS 77 1HB LYS 77 -9.510 3.243 -19.371 15 2HB LYS 77 2HB LYS 77 -10.530 2.545 -18.113 16 1HG LYS 77 1HG LYS 77 -11.047 4.683 -17.198 17 2HG LYS 77 2HG LYS 77 -9.761 5.468 -18.118 18 1HD LYS 77 1HD LYS 77 -11.978 5.902 -19.127 19 2HD LYS 77 2HD LYS 77 -10.947 4.974 -20.218 20 1HE LYS 77 1HE LYS 77 -12.098 2.952 -19.768 21 2HE LYS 77 2HE LYS 77 -12.865 3.614 -18.325 22 1HZ LYS 77 1HZ LYS 77 -13.941 5.259 -19.904 23 2HZ LYS 77 2HZ LYS 77 -13.448 4.225 -21.159 24 3HZ LYS 77 3HZ LYS 77 -14.511 3.663 -19.958 25 H ASP 78 H ASP 78 -8.542 4.039 -15.002 26 HA ASP 78 HA ASP 78 -9.213 3.168 -12.926 27 1HB ASP 78 1HB ASP 78 -11.142 2.272 -14.733 28 2HB ASP 78 2HB ASP 78 -10.623 0.806 -13.899 29 H THR 79 H THR 79 -8.948 1.082 -11.599 30 HA THR 79 HA THR 79 -6.805 -0.619 -12.808 31 HB THR 79 HB THR 79 -6.786 -0.249 -9.868 32 HG1 THR 79 HG1 THR 79 -6.127 1.810 -11.699 33 1HG2 THR 79 1HG2 THR 79 -5.099 -1.273 -11.808 34 2HG2 THR 79 2HG2 THR 79 -4.374 0.291 -11.437 35 3HG2 THR 79 3HG2 THR 79 -4.636 -0.886 -10.150 36 H ASP 80 H ASP 80 -7.206 -2.785 -12.678 37 HA ASP 80 HA ASP 80 -9.574 -3.639 -11.088 38 1HB ASP 80 1HB ASP 80 -8.123 -4.790 -13.466 39 2HB ASP 80 2HB ASP 80 -9.186 -5.801 -12.485 40 H SER 81 H SER 81 -6.587 -3.208 -10.258 41 HA SER 81 HA SER 81 -6.278 -5.891 -8.965 42 1HB SER 81 1HB SER 81 -4.470 -4.640 -10.645 43 2HB SER 81 2HB SER 81 -3.881 -4.197 -9.045 44 HG SER 81 HG SER 81 -3.625 -6.303 -8.548 45 H GLU 82 H GLU 82 -6.224 -2.398 -8.559 46 HA GLU 82 HA GLU 82 -5.526 -2.635 -5.703 47 1HB GLU 82 1HB GLU 82 -6.443 -0.140 -7.146 48 2HB GLU 82 2HB GLU 82 -5.464 -0.252 -5.682 49 1HG GLU 82 1HG GLU 82 -3.562 -0.998 -6.866 50 2HG GLU 82 2HG GLU 82 -4.512 -1.442 -8.285 51 H GLU 83 H GLU 83 -8.158 -3.568 -7.135 52 HA GLU 83 HA GLU 83 -10.286 -1.992 -6.027 53 1HB GLU 83 1HB GLU 83 -10.138 -4.880 -6.924 54 2HB GLU 83 2HB GLU 83 -11.632 -4.129 -6.364 55 1HG GLU 83 1HG GLU 83 -9.999 -2.786 -8.500 56 2HG GLU 83 2HG GLU 83 -11.081 -4.113 -8.927 57 H GLU 84 H GLU 84 -8.328 -4.629 -4.757 58 HA GLU 84 HA GLU 84 -9.947 -4.635 -2.258 59 1HB GLU 84 1HB GLU 84 -8.233 -6.583 -3.652 60 2HB GLU 84 2HB GLU 84 -7.964 -6.516 -1.909 61 1HG GLU 84 1HG GLU 84 -10.011 -7.391 -1.433 62 2HG GLU 84 2HG GLU 84 -10.804 -6.476 -2.716 63 H ILE 85 H ILE 85 -6.989 -3.489 -3.590 64 HA ILE 85 HA ILE 85 -5.479 -3.288 -1.116 65 HB ILE 85 HB ILE 85 -5.203 -1.719 -3.697 66 1HG1 ILE 85 1HG1 ILE 85 -3.811 -4.252 -2.772 67 2HG1 ILE 85 2HG1 ILE 85 -5.068 -4.184 -4.006 68 1HG2 ILE 85 1HG2 ILE 85 -4.060 -0.717 -1.744 69 2HG2 ILE 85 2HG2 ILE 85 -3.243 -2.251 -1.445 70 3HG2 ILE 85 3HG2 ILE 85 -2.901 -1.342 -2.918 71 1HD1 ILE 85 1HD1 ILE 85 -2.443 -2.676 -4.158 72 2HD1 ILE 85 2HD1 ILE 85 -2.761 -4.207 -4.973 73 3HD1 ILE 85 3HD1 ILE 85 -3.677 -2.766 -5.413 74 H ARG 86 H ARG 86 -6.875 -0.685 -3.155 75 HA ARG 86 HA ARG 86 -6.622 1.399 -1.363 76 1HB ARG 86 1HB ARG 86 -7.819 2.528 -2.911 77 2HB ARG 86 2HB ARG 86 -7.981 1.005 -3.769 78 1HG ARG 86 1HG ARG 86 -10.186 1.877 -3.519 79 2HG ARG 86 2HG ARG 86 -10.046 0.565 -2.350 80 1HD ARG 86 1HD ARG 86 -10.495 1.985 -0.666 81 2HD ARG 86 2HD ARG 86 -9.129 2.999 -1.124 82 HE ARG 86 HE ARG 86 -10.770 4.518 -1.849 83 1HH1 ARG 86 1HH1 ARG 86 -12.441 1.673 -1.368 84 2HH1 ARG 86 2HH1 ARG 86 -13.598 1.920 -2.633 85 1HH2 ARG 86 1HH2 ARG 86 -11.961 4.675 -3.956 86 2HH2 ARG 86 2HH2 ARG 86 -13.326 3.620 -4.099 87 H GLU 87 H GLU 87 -9.124 -1.118 -1.324 88 HA GLU 87 HA GLU 87 -10.688 0.023 0.788 89 1HB GLU 87 1HB GLU 87 -10.284 -2.951 0.497 90 2HB GLU 87 2HB GLU 87 -11.749 -2.074 0.942 91 1HG GLU 87 1HG GLU 87 -11.638 -1.049 -1.421 92 2HG GLU 87 2HG GLU 87 -10.479 -2.328 -1.782 93 H ALA 88 H ALA 88 -7.976 -2.287 0.816 94 HA ALA 88 HA ALA 88 -7.792 -2.117 3.755 95 1HB ALA 88 1HB ALA 88 -7.329 -4.270 2.611 96 2HB ALA 88 2HB ALA 88 -6.000 -3.511 1.734 97 3HB ALA 88 3HB ALA 88 -5.911 -3.695 3.487 98 H PHE 89 H PHE 89 -7.519 0.335 3.293 99 HA PHE 89 HA PHE 89 -4.982 1.229 4.008 100 1HB PHE 89 1HB PHE 89 -4.927 0.365 1.325 101 2HB PHE 89 2HB PHE 89 -4.997 2.124 1.244 102 HD1 PHE 89 HD1 PHE 89 -3.497 0.115 3.987 103 HD2 PHE 89 HD2 PHE 89 -2.741 2.623 0.591 104 HE1 PHE 89 HE1 PHE 89 -1.115 0.255 4.616 105 HE2 PHE 89 HE2 PHE 89 -0.366 2.739 1.205 106 HZ PHE 89 HZ PHE 89 0.470 1.552 3.218 107 H ARG 90 H ARG 90 -8.043 1.769 2.461 108 HA ARG 90 HA ARG 90 -7.935 4.609 2.308 109 1HB ARG 90 1HB ARG 90 -10.301 4.520 1.995 110 2HB ARG 90 2HB ARG 90 -9.673 3.054 1.244 111 1HG ARG 90 1HG ARG 90 -10.307 1.713 3.127 112 2HG ARG 90 2HG ARG 90 -10.674 3.136 4.098 113 1HD ARG 90 1HD ARG 90 -12.514 1.694 2.611 114 2HD ARG 90 2HD ARG 90 -12.750 3.330 3.219 115 HE ARG 90 HE ARG 90 -11.519 2.932 0.530 116 1HH1 ARG 90 1HH1 ARG 90 -11.893 5.609 0.639 117 2HH1 ARG 90 2HH1 ARG 90 -13.560 5.931 0.297 118 1HH2 ARG 90 1HH2 ARG 90 -14.595 2.684 0.940 119 2HH2 ARG 90 2HH2 ARG 90 -15.089 4.276 0.468 120 H VAL 91 H VAL 91 -8.148 2.372 4.860 121 HA VAL 91 HA VAL 91 -9.582 3.670 6.844 122 HB VAL 91 HB VAL 91 -6.911 2.281 7.182 123 1HG1 VAL 91 1HG1 VAL 91 -9.036 3.229 9.042 124 2HG1 VAL 91 2HG1 VAL 91 -8.310 1.659 9.387 125 3HG1 VAL 91 3HG1 VAL 91 -7.294 3.097 9.294 126 1HG2 VAL 91 1HG2 VAL 91 -9.136 1.227 6.001 127 2HG2 VAL 91 2HG2 VAL 91 -7.965 0.276 6.917 128 3HG2 VAL 91 3HG2 VAL 91 -9.444 0.841 7.696 129 H PHE 92 H PHE 92 -6.432 4.425 5.520 130 HA PHE 92 HA PHE 92 -6.161 6.703 7.426 131 1HB PHE 92 1HB PHE 92 -4.127 5.413 5.580 132 2HB PHE 92 2HB PHE 92 -3.800 6.719 6.720 133 HD1 PHE 92 HD1 PHE 92 -3.840 6.328 9.139 134 HD2 PHE 92 HD2 PHE 92 -4.568 3.136 6.360 135 HE1 PHE 92 HE1 PHE 92 -3.523 4.671 10.959 136 HE2 PHE 92 HE2 PHE 92 -4.254 1.482 8.181 137 HZ PHE 92 HZ PHE 92 -3.734 2.244 10.477 138 H ASP 93 H ASP 93 -6.285 5.797 4.025 139 HA ASP 93 HA ASP 93 -6.015 8.584 3.122 140 1HB ASP 93 1HB ASP 93 -5.013 6.895 1.707 141 2HB ASP 93 2HB ASP 93 -6.505 5.958 1.685 142 H LYS 94 H LYS 94 -8.119 8.473 4.837 143 HA LYS 94 HA LYS 94 -10.620 7.993 3.349 144 1HB LYS 94 1HB LYS 94 -10.120 9.112 6.125 145 2HB LYS 94 2HB LYS 94 -11.703 8.698 5.463 146 1HG LYS 94 1HG LYS 94 -10.719 6.349 5.052 147 2HG LYS 94 2HG LYS 94 -9.422 6.842 6.143 148 1HD LYS 94 1HD LYS 94 -10.760 6.229 7.852 149 2HD LYS 94 2HD LYS 94 -11.774 7.615 7.450 150 1HE LYS 94 1HE LYS 94 -13.326 6.333 6.321 151 2HE LYS 94 2HE LYS 94 -12.132 5.130 5.836 152 1HZ LYS 94 1HZ LYS 94 -12.441 5.267 8.671 153 2HZ LYS 94 2HZ LYS 94 -13.907 4.899 7.894 154 3HZ LYS 94 3HZ LYS 94 -12.539 3.924 7.640 155 H ASP 95 H ASP 95 -8.569 10.655 4.288 156 HA ASP 95 HA ASP 95 -10.612 12.652 3.582 157 1HB ASP 95 1HB ASP 95 -9.098 14.259 4.441 158 2HB ASP 95 2HB ASP 95 -8.881 12.847 5.479 159 H GLY 96 H GLY 96 -8.641 10.695 1.835 160 1HA GLY 96 1HA GLY 96 -8.375 10.808 -0.531 161 2HA GLY 96 2HA GLY 96 -8.737 12.532 -0.468 162 H ASN 97 H ASN 97 -6.293 10.693 1.378 163 HA ASN 97 HA ASN 97 -4.278 12.691 0.564 164 1HB ASN 97 1HB ASN 97 -4.662 11.011 2.821 165 2HB ASN 97 2HB ASN 97 -3.167 10.485 2.047 166 1HD2 ASN 97 1HD2 ASN 97 -3.141 13.879 4.168 167 2HD2 ASN 97 2HD2 ASN 97 -4.406 12.750 4.231 168 H GLY 98 H GLY 98 -4.771 9.177 0.318 169 1HA GLY 98 1HA GLY 98 -4.224 7.823 -1.575 170 2HA GLY 98 2HA GLY 98 -3.278 9.165 -2.226 171 H TYR 99 H TYR 99 -1.427 9.794 -0.608 172 HA TYR 99 HA TYR 99 0.167 7.354 -0.193 173 1HB TYR 99 1HB TYR 99 2.034 8.706 -0.355 174 2HB TYR 99 2HB TYR 99 0.889 9.668 -1.286 175 HD1 TYR 99 HD1 TYR 99 2.643 9.340 1.946 176 HD2 TYR 99 HD2 TYR 99 -0.020 11.748 -0.411 177 HE1 TYR 99 HE1 TYR 99 2.936 11.219 3.537 178 HE2 TYR 99 HE2 TYR 99 0.270 13.628 1.181 179 HH TYR 99 HH TYR 99 2.723 13.688 3.522 180 H ILE 100 H ILE 100 0.902 6.666 1.800 181 HA ILE 100 HA ILE 100 0.022 8.267 4.142 182 HB ILE 100 HB ILE 100 -0.374 5.828 5.133 183 1HG1 ILE 100 1HG1 ILE 100 -0.863 5.554 2.157 184 2HG1 ILE 100 2HG1 ILE 100 0.135 4.518 3.178 185 1HG2 ILE 100 1HG2 ILE 100 -1.915 7.972 4.482 186 2HG2 ILE 100 2HG2 ILE 100 -2.634 6.727 3.460 187 3HG2 ILE 100 3HG2 ILE 100 -2.551 6.494 5.206 188 1HD1 ILE 100 1HD1 ILE 100 -2.581 4.700 4.198 189 2HD1 ILE 100 2HD1 ILE 100 -2.550 4.124 2.535 190 3HD1 ILE 100 3HD1 ILE 100 -1.635 3.276 3.783 191 H SER 101 H SER 101 1.102 7.328 6.197 192 HA SER 101 HA SER 101 3.960 7.331 5.738 193 1HB SER 101 1HB SER 101 2.947 8.337 7.746 194 2HB SER 101 2HB SER 101 2.358 6.752 8.244 195 HG SER 101 HG SER 101 4.969 7.779 8.182 196 H ALA 102 H ALA 102 5.374 5.608 6.788 197 HA ALA 102 HA ALA 102 4.855 3.046 5.623 198 1HB ALA 102 1HB ALA 102 7.077 4.197 6.623 199 2HB ALA 102 2HB ALA 102 6.630 3.211 8.015 200 3HB ALA 102 3HB ALA 102 6.923 2.449 6.452 201 H ALA 103 H ALA 103 4.273 4.394 8.839 202 HA ALA 103 HA ALA 103 3.547 2.000 10.174 203 1HB ALA 103 1HB ALA 103 3.600 4.670 10.849 204 2HB ALA 103 2HB ALA 103 1.868 4.336 10.815 205 3HB ALA 103 3HB ALA 103 2.928 3.395 11.864 206 H GLU 104 H GLU 104 1.824 4.007 7.864 207 HA GLU 104 HA GLU 104 -0.783 2.861 8.263 208 1HB GLU 104 1HB GLU 104 0.528 4.610 6.304 209 2HB GLU 104 2HB GLU 104 -0.673 3.529 5.576 210 1HG GLU 104 1HG GLU 104 -2.236 4.998 6.288 211 2HG GLU 104 2HG GLU 104 -1.903 4.413 7.917 212 H LEU 105 H LEU 105 2.021 1.938 6.317 213 HA LEU 105 HA LEU 105 0.589 -0.180 4.935 214 1HB LEU 105 1HB LEU 105 3.131 1.076 4.717 215 2HB LEU 105 2HB LEU 105 3.414 -0.649 4.953 216 HG LEU 105 HG LEU 105 1.193 -0.157 3.136 217 1HD1 LEU 105 1HD1 LEU 105 3.525 1.534 2.874 218 2HD1 LEU 105 2HD1 LEU 105 3.383 0.458 1.483 219 3HD1 LEU 105 3HD1 LEU 105 2.044 1.518 1.921 220 1HD2 LEU 105 1HD2 LEU 105 3.703 -1.771 3.296 221 2HD2 LEU 105 2HD2 LEU 105 2.057 -2.288 2.953 222 3HD2 LEU 105 3HD2 LEU 105 3.011 -1.509 1.696 223 H ARG 106 H ARG 106 3.266 -0.286 7.339 224 HA ARG 106 HA ARG 106 3.239 -2.993 7.935 225 1HB ARG 106 1HB ARG 106 3.909 -2.366 10.237 226 2HB ARG 106 2HB ARG 106 4.759 -1.405 9.030 227 1HG ARG 106 1HG ARG 106 4.076 0.257 10.493 228 2HG ARG 106 2HG ARG 106 2.716 0.238 9.369 229 1HD ARG 106 1HD ARG 106 1.368 -0.183 11.123 230 2HD ARG 106 2HD ARG 106 2.144 -1.760 11.267 231 HE ARG 106 HE ARG 106 3.879 -0.091 12.606 232 1HH1 ARG 106 1HH1 ARG 106 1.999 1.835 13.455 233 2HH1 ARG 106 2HH1 ARG 106 1.176 1.119 14.801 234 1HH2 ARG 106 1HH2 ARG 106 2.167 -2.112 14.026 235 2HH2 ARG 106 2HH2 ARG 106 1.271 -1.116 15.123 236 H HIS 107 H HIS 107 0.967 -0.541 9.024 237 HA HIS 107 HA HIS 107 -0.508 -2.317 10.786 238 1HB HIS 107 1HB HIS 107 -0.471 0.105 11.161 239 2HB HIS 107 2HB HIS 107 -1.273 0.369 9.612 240 HD1 HIS 107 HD1 HIS 107 -2.125 0.348 13.003 241 HD2 HIS 107 HD2 HIS 107 -3.817 -1.497 9.668 242 HE1 HIS 107 HE1 HIS 107 -4.515 -0.211 13.628 243 H VAL 108 H VAL 108 -1.150 -1.080 7.475 244 HA VAL 108 HA VAL 108 -3.643 -2.660 7.378 245 HB VAL 108 HB VAL 108 -2.431 -1.171 5.057 246 1HG1 VAL 108 1HG1 VAL 108 -5.120 -2.195 5.893 247 2HG1 VAL 108 2HG1 VAL 108 -5.041 -0.767 4.863 248 3HG1 VAL 108 3HG1 VAL 108 -4.330 -2.287 4.320 249 1HG2 VAL 108 1HG2 VAL 108 -3.006 -0.024 7.565 250 2HG2 VAL 108 2HG2 VAL 108 -2.782 0.831 6.040 251 3HG2 VAL 108 3HG2 VAL 108 -4.399 0.350 6.551 252 H MET 109 H MET 109 -0.580 -2.591 5.527 253 HA MET 109 HA MET 109 -1.180 -4.833 3.913 254 1HB MET 109 1HB MET 109 0.912 -3.099 4.098 255 2HB MET 109 2HB MET 109 1.626 -4.574 4.751 256 1HG MET 109 1HG MET 109 0.714 -5.800 2.740 257 2HG MET 109 2HG MET 109 0.262 -4.236 2.071 258 1HE MET 109 1HE MET 109 3.053 -3.436 4.139 259 2HE MET 109 2HE MET 109 3.553 -5.124 4.205 260 3HE MET 109 3HE MET 109 4.561 -3.944 3.370 261 H THR 110 H THR 110 -0.643 -4.737 7.287 262 HA THR 110 HA THR 110 0.476 -7.470 7.392 263 HB THR 110 HB THR 110 1.257 -5.767 9.014 264 HG1 THR 110 HG1 THR 110 1.195 -7.995 9.583 265 1HG2 THR 110 1HG2 THR 110 -1.168 -4.779 9.077 266 2HG2 THR 110 2HG2 THR 110 -1.407 -5.947 10.375 267 3HG2 THR 110 3HG2 THR 110 -0.162 -4.706 10.524 268 H ASN 111 H ASN 111 -2.563 -6.076 7.142 269 HA ASN 111 HA ASN 111 -3.865 -8.461 8.367 270 1HB ASN 111 1HB ASN 111 -5.765 -6.391 7.731 271 2HB ASN 111 2HB ASN 111 -5.392 -7.093 9.301 272 1HD2 ASN 111 1HD2 ASN 111 -4.469 -3.335 8.922 273 2HD2 ASN 111 2HD2 ASN 111 -5.788 -4.164 8.245 274 H LEU 112 H LEU 112 -4.120 -6.162 5.610 275 HA LEU 112 HA LEU 112 -6.066 -7.521 4.142 276 1HB LEU 112 1HB LEU 112 -4.862 -6.689 2.050 277 2HB LEU 112 2HB LEU 112 -5.334 -5.466 3.219 278 HG LEU 112 HG LEU 112 -3.148 -4.954 3.773 279 1HD1 LEU 112 1HD1 LEU 112 -2.432 -7.809 3.025 280 2HD1 LEU 112 2HD1 LEU 112 -1.254 -6.602 3.506 281 3HD1 LEU 112 3HD1 LEU 112 -2.483 -7.133 4.648 282 1HD2 LEU 112 1HD2 LEU 112 -3.529 -5.662 0.996 283 2HD2 LEU 112 2HD2 LEU 112 -2.614 -4.323 1.689 284 3HD2 LEU 112 3HD2 LEU 112 -1.844 -5.894 1.462 285 H GLY 113 H GLY 113 -5.478 -8.753 1.955 286 1HA GLY 113 1HA GLY 113 -4.806 -11.358 2.483 287 2HA GLY 113 2HA GLY 113 -4.453 -10.621 0.921 288 H GLU 114 H GLU 114 -2.446 -8.862 1.492 289 HA GLU 114 HA GLU 114 -0.094 -10.284 1.412 290 1HB GLU 114 1HB GLU 114 -0.822 -7.565 1.902 291 2HB GLU 114 2HB GLU 114 0.440 -8.007 3.052 292 1HG GLU 114 1HG GLU 114 0.587 -8.481 0.061 293 2HG GLU 114 2HG GLU 114 1.371 -7.145 0.905 294 H LYS 115 H LYS 115 -0.909 -8.619 4.462 295 HA LYS 115 HA LYS 115 -0.412 -9.220 6.678 296 1HB LYS 115 1HB LYS 115 -2.278 -10.786 6.196 297 2HB LYS 115 2HB LYS 115 -1.112 -11.974 5.610 298 1HG LYS 115 1HG LYS 115 -0.062 -12.107 7.795 299 2HG LYS 115 2HG LYS 115 -1.077 -10.797 8.403 300 1HD LYS 115 1HD LYS 115 -2.600 -12.331 9.017 301 2HD LYS 115 2HD LYS 115 -2.850 -12.702 7.311 302 1HE LYS 115 1HE LYS 115 -2.270 -14.760 8.447 303 2HE LYS 115 2HE LYS 115 -0.903 -14.288 7.441 304 1HZ LYS 115 1HZ LYS 115 -0.740 -13.100 10.016 305 2HZ LYS 115 2HZ LYS 115 -0.864 -14.790 10.144 306 3HZ LYS 115 3HZ LYS 115 0.380 -14.100 9.220 307 H LEU 116 H LEU 116 1.881 -8.771 6.546 308 HA LEU 116 HA LEU 116 3.539 -11.250 6.367 309 1HB LEU 116 1HB LEU 116 5.385 -9.734 5.523 310 2HB LEU 116 2HB LEU 116 4.035 -9.922 4.403 311 HG LEU 116 HG LEU 116 4.025 -7.665 6.396 312 1HD1 LEU 116 1HD1 LEU 116 5.660 -7.912 3.888 313 2HD1 LEU 116 2HD1 LEU 116 4.985 -6.345 4.335 314 3HD1 LEU 116 3HD1 LEU 116 6.091 -7.174 5.431 315 1HD2 LEU 116 1HD2 LEU 116 2.337 -8.587 4.318 316 2HD2 LEU 116 2HD2 LEU 116 2.176 -7.093 5.241 317 3HD2 LEU 116 3HD2 LEU 116 3.078 -7.101 3.725 318 H THR 117 H THR 117 5.515 -8.668 7.076 319 HA THR 117 HA THR 117 5.018 -8.918 10.012 320 HB THR 117 HB THR 117 7.802 -8.457 9.099 321 HG1 THR 117 HG1 THR 117 7.149 -10.043 7.643 322 1HG2 THR 117 1HG2 THR 117 6.424 -10.146 11.197 323 2HG2 THR 117 2HG2 THR 117 8.167 -10.191 10.919 324 3HG2 THR 117 3HG2 THR 117 7.398 -8.697 11.448 325 H ASP 118 H ASP 118 6.039 -7.014 11.223 326 HA ASP 118 HA ASP 118 5.306 -4.536 9.856 327 1HB ASP 118 1HB ASP 118 6.468 -5.095 12.601 328 2HB ASP 118 2HB ASP 118 6.024 -3.483 12.037 329 H GLU 119 H GLU 119 8.361 -6.050 10.907 330 HA GLU 119 HA GLU 119 9.940 -3.744 10.089 331 1HB GLU 119 1HB GLU 119 10.606 -6.598 10.828 332 2HB GLU 119 2HB GLU 119 11.842 -5.503 10.205 333 1HG GLU 119 1HG GLU 119 10.099 -4.504 12.413 334 2HG GLU 119 2HG GLU 119 11.338 -5.692 12.823 335 H GLU 120 H GLU 120 8.669 -6.604 8.573 336 HA GLU 120 HA GLU 120 10.359 -6.511 6.212 337 1HB GLU 120 1HB GLU 120 9.251 -8.592 6.798 338 2HB GLU 120 2HB GLU 120 7.671 -7.810 6.767 339 1HG GLU 120 1HG GLU 120 7.631 -8.697 4.655 340 2HG GLU 120 2HG GLU 120 8.494 -7.206 4.274 341 H VAL 121 H VAL 121 6.956 -5.640 6.823 342 HA VAL 121 HA VAL 121 6.411 -4.399 4.349 343 HB VAL 121 HB VAL 121 4.543 -4.712 5.787 344 1HG1 VAL 121 1HG1 VAL 121 6.383 -4.245 7.837 345 2HG1 VAL 121 2HG1 VAL 121 5.217 -2.933 7.982 346 3HG1 VAL 121 3HG1 VAL 121 4.669 -4.607 8.028 347 1HG2 VAL 121 1HG2 VAL 121 4.867 -2.354 4.635 348 2HG2 VAL 121 2HG2 VAL 121 3.518 -2.626 5.739 349 3HG2 VAL 121 3HG2 VAL 121 4.965 -1.793 6.303 350 H ASP 122 H ASP 122 7.663 -2.955 7.362 351 HA ASP 122 HA ASP 122 7.941 -0.306 6.335 352 1HB ASP 122 1HB ASP 122 8.996 -1.830 8.655 353 2HB ASP 122 2HB ASP 122 9.918 -0.402 8.186 354 H GLU 123 H GLU 123 10.192 -3.066 6.271 355 HA GLU 123 HA GLU 123 12.282 -1.455 4.987 356 1HB GLU 123 1HB GLU 123 12.162 -3.965 6.313 357 2HB GLU 123 2HB GLU 123 12.711 -4.278 4.666 358 1HG GLU 123 1HG GLU 123 14.680 -3.178 4.975 359 2HG GLU 123 2HG GLU 123 13.933 -1.917 5.957 360 H MET 124 H MET 124 9.435 -2.905 3.935 361 HA MET 124 HA MET 124 10.508 -3.517 1.238 362 1HB MET 124 1HB MET 124 8.610 -4.788 2.758 363 2HB MET 124 2HB MET 124 7.609 -3.787 1.704 364 1HG MET 124 1HG MET 124 7.887 -5.423 0.167 365 2HG MET 124 2HG MET 124 9.513 -4.772 -0.032 366 1HE MET 124 1HE MET 124 11.377 -5.394 0.663 367 2HE MET 124 2HE MET 124 11.526 -5.949 2.327 368 3HE MET 124 3HE MET 124 11.875 -7.052 0.989 369 H ILE 125 H ILE 125 8.811 -1.035 2.955 370 HA ILE 125 HA ILE 125 7.389 0.072 0.707 371 HB ILE 125 HB ILE 125 7.872 0.768 3.495 372 1HG1 ILE 125 1HG1 ILE 125 5.684 2.164 2.338 373 2HG1 ILE 125 2HG1 ILE 125 5.779 0.588 1.550 374 1HG2 ILE 125 1HG2 ILE 125 8.096 2.949 1.425 375 2HG2 ILE 125 2HG2 ILE 125 7.373 3.279 2.999 376 3HG2 ILE 125 3HG2 ILE 125 9.044 2.724 2.895 377 1HD1 ILE 125 1HD1 ILE 125 6.258 0.058 4.261 378 2HD1 ILE 125 2HD1 ILE 125 4.948 1.240 4.262 379 3HD1 ILE 125 3HD1 ILE 125 4.770 -0.273 3.375 380 H ARG 126 H ARG 126 10.720 0.166 1.669 381 HA ARG 126 HA ARG 126 11.553 2.578 0.436 382 1HB ARG 126 1HB ARG 126 13.121 -0.005 0.298 383 2HB ARG 126 2HB ARG 126 13.746 1.641 0.401 384 1HG ARG 126 1HG ARG 126 12.499 1.765 2.662 385 2HG ARG 126 2HG ARG 126 12.410 0.006 2.554 386 1HD ARG 126 1HD ARG 126 14.762 -0.233 2.600 387 2HD ARG 126 2HD ARG 126 15.027 1.464 2.197 388 HE ARG 126 HE ARG 126 13.641 1.441 4.647 389 1HH1 ARG 126 1HH1 ARG 126 16.719 1.636 3.376 390 2HH1 ARG 126 2HH1 ARG 126 17.549 1.179 4.826 391 1HH2 ARG 126 1HH2 ARG 126 14.657 0.274 6.511 392 2HH2 ARG 126 2HH2 ARG 126 16.382 0.407 6.601 393 H GLU 127 H GLU 127 10.251 -0.297 -0.904 394 HA GLU 127 HA GLU 127 11.388 0.102 -3.580 395 1HB GLU 127 1HB GLU 127 9.511 -1.871 -2.306 396 2HB GLU 127 2HB GLU 127 9.640 -1.781 -4.065 397 1HG GLU 127 1HG GLU 127 12.202 -1.915 -3.675 398 2HG GLU 127 2HG GLU 127 11.780 -2.488 -2.061 399 H ALA 128 H ALA 128 8.242 0.598 -1.950 400 HA ALA 128 HA ALA 128 7.129 1.612 -4.509 401 1HB ALA 128 1HB ALA 128 6.023 0.604 -1.961 402 2HB ALA 128 2HB ALA 128 5.129 1.940 -2.689 403 3HB ALA 128 3HB ALA 128 5.392 0.453 -3.602 404 H ASP 129 H ASP 129 7.339 2.758 -1.123 405 HA ASP 129 HA ASP 129 6.589 5.446 -1.797 406 1HB ASP 129 1HB ASP 129 8.229 4.620 0.608 407 2HB ASP 129 2HB ASP 129 7.140 5.998 0.465 408 H ILE 130 H ILE 130 9.789 3.992 -1.102 409 HA ILE 130 HA ILE 130 11.939 4.917 -1.441 410 HB ILE 130 HB ILE 130 12.371 5.397 -3.766 411 1HG1 ILE 130 1HG1 ILE 130 9.376 5.629 -4.173 412 2HG1 ILE 130 2HG1 ILE 130 10.429 7.027 -3.952 413 1HG2 ILE 130 1HG2 ILE 130 10.552 3.222 -2.983 414 2HG2 ILE 130 2HG2 ILE 130 10.522 3.583 -4.709 415 3HG2 ILE 130 3HG2 ILE 130 12.043 3.157 -3.922 416 1HD1 ILE 130 1HD1 ILE 130 11.790 5.648 -5.880 417 2HD1 ILE 130 2HD1 ILE 130 10.122 5.252 -6.294 418 3HD1 ILE 130 3HD1 ILE 130 10.635 6.938 -6.219 419 H ASP 131 H ASP 131 9.970 6.724 -0.178 420 HA ASP 131 HA ASP 131 9.884 8.958 0.503 421 1HB ASP 131 1HB ASP 131 12.579 8.734 -0.782 422 2HB ASP 131 2HB ASP 131 11.961 10.343 -0.409 423 H GLY 132 H GLY 132 11.609 9.950 -2.359 424 1HA GLY 132 1HA GLY 132 10.872 11.499 -4.000 425 2HA GLY 132 2HA GLY 132 9.790 10.160 -4.382 426 H ASP 133 H ASP 133 7.748 10.917 -4.581 427 HA ASP 133 HA ASP 133 6.872 13.297 -3.094 428 1HB ASP 133 1HB ASP 133 6.222 12.491 -5.542 429 2HB ASP 133 2HB ASP 133 4.989 11.578 -4.673 430 H GLY 134 H GLY 134 4.063 12.002 -2.989 431 1HA GLY 134 1HA GLY 134 3.916 11.389 -0.282 432 2HA GLY 134 2HA GLY 134 2.821 10.683 -1.474 433 H GLN 135 H GLN 135 4.460 9.617 0.976 434 HA GLN 135 HA GLN 135 6.397 7.769 0.137 435 1HB GLN 135 1HB GLN 135 4.322 7.502 2.331 436 2HB GLN 135 2HB GLN 135 5.702 6.419 2.140 437 1HG GLN 135 1HG GLN 135 6.196 9.374 2.213 438 2HG GLN 135 2HG GLN 135 5.871 8.531 3.728 439 1HE2 GLN 135 1HE2 GLN 135 9.544 8.351 3.199 440 2HE2 GLN 135 2HE2 GLN 135 8.409 9.579 3.494 441 H VAL 136 H VAL 136 3.675 5.982 1.314 442 HA VAL 136 HA VAL 136 3.620 4.475 -1.244 443 HB VAL 136 HB VAL 136 3.857 3.286 0.932 444 1HG1 VAL 136 1HG1 VAL 136 2.277 5.016 2.058 445 2HG1 VAL 136 2HG1 VAL 136 0.981 3.987 1.464 446 3HG1 VAL 136 3HG1 VAL 136 2.178 3.338 2.581 447 1HG2 VAL 136 1HG2 VAL 136 1.987 2.787 -1.198 448 2HG2 VAL 136 2HG2 VAL 136 2.915 1.617 -0.263 449 3HG2 VAL 136 3HG2 VAL 136 1.334 2.147 0.306 450 H ASN 137 H ASN 137 2.173 5.375 -2.707 451 HA ASN 137 HA ASN 137 -0.387 6.391 -1.577 452 1HB ASN 137 1HB ASN 137 -0.499 7.488 -3.932 453 2HB ASN 137 2HB ASN 137 0.565 8.169 -2.701 454 1HD2 ASN 137 1HD2 ASN 137 2.485 5.768 -5.448 455 2HD2 ASN 137 2HD2 ASN 137 1.030 5.238 -4.757 456 H TYR 138 H TYR 138 -0.791 3.841 -1.667 457 HA TYR 138 HA TYR 138 -2.169 2.181 -2.609 458 1HB TYR 138 1HB TYR 138 -3.048 4.701 -3.989 459 2HB TYR 138 2HB TYR 138 -3.771 3.149 -4.407 460 HD1 TYR 138 HD1 TYR 138 -2.515 4.195 -1.049 461 HD2 TYR 138 HD2 TYR 138 -5.971 3.398 -3.479 462 HE1 TYR 138 HE1 TYR 138 -3.945 4.316 0.953 463 HE2 TYR 138 HE2 TYR 138 -7.398 3.537 -1.461 464 HH TYR 138 HH TYR 138 -7.446 3.733 0.728 465 H GLU 139 H GLU 139 -1.991 4.044 -5.572 466 HA GLU 139 HA GLU 139 -1.570 2.014 -7.346 467 1HB GLU 139 1HB GLU 139 -1.780 4.008 -8.472 468 2HB GLU 139 2HB GLU 139 -0.822 4.894 -7.288 469 1HG GLU 139 1HG GLU 139 1.218 4.154 -8.226 470 2HG GLU 139 2HG GLU 139 0.423 2.889 -9.161 471 H GLU 140 H GLU 140 0.753 3.390 -5.122 472 HA GLU 140 HA GLU 140 2.952 1.745 -6.249 473 1HB GLU 140 1HB GLU 140 2.746 4.054 -4.390 474 2HB GLU 140 2HB GLU 140 4.000 2.874 -4.004 475 1HG GLU 140 1HG GLU 140 3.686 3.915 -6.814 476 2HG GLU 140 2HG GLU 140 4.608 4.823 -5.615 477 H PHE 141 H PHE 141 0.818 2.059 -3.491 478 HA PHE 141 HA PHE 141 1.963 0.084 -1.765 479 1HB PHE 141 1HB PHE 141 0.191 1.702 -1.099 480 2HB PHE 141 2HB PHE 141 -0.950 0.859 -2.136 481 HD1 PHE 141 HD1 PHE 141 1.600 -1.095 -0.386 482 HD2 PHE 141 HD2 PHE 141 -2.404 0.434 -0.181 483 HE1 PHE 141 HE1 PHE 141 1.079 -2.692 1.424 484 HE2 PHE 141 HE2 PHE 141 -2.919 -1.152 1.644 485 HZ PHE 141 HZ PHE 141 -1.187 -2.726 2.442 486 H VAL 142 H VAL 142 0.445 -0.278 -4.819 487 HA VAL 142 HA VAL 142 -0.605 -2.959 -4.285 488 HB VAL 142 HB VAL 142 -1.797 -1.714 -5.952 489 1HG1 VAL 142 1HG1 VAL 142 0.875 -0.826 -6.653 490 2HG1 VAL 142 2HG1 VAL 142 -0.007 -1.358 -8.084 491 3HG1 VAL 142 3HG1 VAL 142 -0.680 -0.096 -7.050 492 1HG2 VAL 142 1HG2 VAL 142 -0.994 -4.207 -6.393 493 2HG2 VAL 142 2HG2 VAL 142 -1.874 -3.313 -7.632 494 3HG2 VAL 142 3HG2 VAL 142 -0.118 -3.450 -7.723 495 H GLN 143 H GLN 143 2.300 -1.496 -5.677 496 HA GLN 143 HA GLN 143 3.404 -3.883 -6.809 497 1HB GLN 143 1HB GLN 143 4.528 -1.849 -7.344 498 2HB GLN 143 2HB GLN 143 4.649 -1.378 -5.648 499 1HG GLN 143 1HG GLN 143 6.471 -2.711 -5.268 500 2HG GLN 143 2HG GLN 143 5.916 -3.962 -6.380 501 1HE2 GLN 143 1HE2 GLN 143 7.366 -0.781 -8.476 502 2HE2 GLN 143 2HE2 GLN 143 6.043 -0.596 -7.428 503 H MET 144 H MET 144 2.799 -2.859 -3.608 504 HA MET 144 HA MET 144 4.775 -4.474 -2.228 505 1HB MET 144 1HB MET 144 2.243 -3.028 -1.474 506 2HB MET 144 2HB MET 144 3.015 -4.115 -0.333 507 1HG MET 144 1HG MET 144 3.636 -1.614 -0.240 508 2HG MET 144 2HG MET 144 4.947 -2.796 -0.188 509 1HE MET 144 1HE MET 144 6.514 -3.177 -1.451 510 2HE MET 144 2HE MET 144 6.134 -3.475 -3.153 511 3HE MET 144 3HE MET 144 7.191 -2.140 -2.704 512 H MET 145 H MET 145 1.246 -4.708 -2.432 513 HA MET 145 HA MET 145 1.044 -7.351 -1.455 514 1HB MET 145 1HB MET 145 -1.142 -7.291 -3.021 515 2HB MET 145 2HB MET 145 -1.059 -6.430 -1.489 516 1HG MET 145 1HG MET 145 0.037 -4.841 -3.692 517 2HG MET 145 2HG MET 145 -1.630 -5.312 -3.976 518 1HE MET 145 1HE MET 145 0.195 -5.179 -0.826 519 2HE MET 145 2HE MET 145 0.533 -3.448 -0.760 520 3HE MET 145 3HE MET 145 -0.741 -4.139 0.238 521 H THR 146 H THR 146 2.246 -6.260 -4.466 522 HA THR 146 HA THR 146 2.253 -9.085 -5.423 523 HB THR 146 HB THR 146 0.541 -8.031 -6.745 524 HG1 THR 146 HG1 THR 146 1.714 -9.189 -8.121 525 1HG2 THR 146 1HG2 THR 146 2.356 -5.732 -6.522 526 2HG2 THR 146 2HG2 THR 146 1.679 -5.944 -8.137 527 3HG2 THR 146 3HG2 THR 146 0.607 -5.768 -6.748 528 H ALA 147 H ALA 147 4.237 -7.156 -4.141 529 HA ALA 147 HA ALA 147 6.186 -6.268 -5.959 530 1HB ALA 147 1HB ALA 147 6.019 -6.304 -3.259 531 2HB ALA 147 2HB ALA 147 7.189 -7.602 -3.499 532 3HB ALA 147 3HB ALA 147 7.526 -5.985 -4.120 533 H LYS 148 H LYS 148 6.363 -7.773 -7.699 534 HA LYS 148 HA LYS 148 7.567 -10.412 -6.983 535 1HB LYS 148 1HB LYS 148 6.844 -11.168 -9.197 536 2HB LYS 148 2HB LYS 148 5.471 -10.485 -8.327 537 1HG LYS 148 1HG LYS 148 6.033 -8.270 -9.491 538 2HG LYS 148 2HG LYS 148 7.083 -9.217 -10.545 539 1HD LYS 148 1HD LYS 148 5.334 -10.092 -11.688 540 2HD LYS 148 2HD LYS 148 4.414 -10.391 -10.212 541 1HE LYS 148 1HE LYS 148 3.087 -8.714 -11.009 542 2HE LYS 148 2HE LYS 148 4.323 -7.676 -10.300 543 1HZ LYS 148 1HZ LYS 148 5.319 -8.361 -12.750 544 2HZ LYS 148 2HZ LYS 148 3.667 -8.096 -13.045 545 3HZ LYS 148 3HZ LYS 148 4.612 -6.876 -12.336 No H/Q in entry = 545 Start of MODEL 11 Raw file had 555 H/Q atoms Start of MODEL 11 1 1H MET 76 1H MET 76 -9.542 -1.680 -16.286 2 2H MET 76 2H MET 76 -11.017 -2.437 -16.640 3 3H MET 76 3H MET 76 -9.695 -3.364 -16.110 4 HA MET 76 HA MET 76 -10.001 -3.617 -18.489 5 1HB MET 76 1HB MET 76 -10.441 -0.781 -18.273 6 2HB MET 76 2HB MET 76 -9.111 -1.077 -19.394 7 1HG MET 76 1HG MET 76 -10.956 -1.257 -20.811 8 2HG MET 76 2HG MET 76 -10.704 -2.940 -20.348 9 1HE MET 76 1HE MET 76 -12.153 0.315 -19.597 10 2HE MET 76 2HE MET 76 -13.599 -0.173 -20.479 11 3HE MET 76 3HE MET 76 -13.668 0.083 -18.730 12 H LYS 77 H LYS 77 -7.762 -1.165 -17.137 13 HA LYS 77 HA LYS 77 -5.497 -2.395 -18.535 14 1HB LYS 77 1HB LYS 77 -5.644 -0.167 -16.481 15 2HB LYS 77 2HB LYS 77 -4.169 -0.663 -17.310 16 1HG LYS 77 1HG LYS 77 -5.332 -0.215 -19.497 17 2HG LYS 77 2HG LYS 77 -6.679 0.460 -18.580 18 1HD LYS 77 1HD LYS 77 -5.417 2.371 -19.038 19 2HD LYS 77 2HD LYS 77 -4.817 1.919 -17.441 20 1HE LYS 77 1HE LYS 77 -2.885 2.350 -18.802 21 2HE LYS 77 2HE LYS 77 -2.996 0.599 -18.619 22 1HZ LYS 77 1HZ LYS 77 -4.501 1.562 -20.851 23 2HZ LYS 77 2HZ LYS 77 -2.853 1.959 -20.976 24 3HZ LYS 77 3HZ LYS 77 -3.322 0.341 -20.789 25 H ASP 78 H ASP 78 -3.492 -2.235 -16.575 26 HA ASP 78 HA ASP 78 -4.047 -4.696 -15.082 27 1HB ASP 78 1HB ASP 78 -1.819 -4.056 -16.209 28 2HB ASP 78 2HB ASP 78 -1.572 -2.983 -14.830 29 H THR 79 H THR 79 -5.824 -3.524 -13.825 30 HA THR 79 HA THR 79 -4.681 -2.629 -11.259 31 HB THR 79 HB THR 79 -6.596 -0.899 -12.854 32 HG1 THR 79 HG1 THR 79 -3.980 -0.388 -11.892 33 1HG2 THR 79 1HG2 THR 79 -6.127 -1.163 -10.016 34 2HG2 THR 79 2HG2 THR 79 -5.626 0.436 -10.567 35 3HG2 THR 79 3HG2 THR 79 -7.274 -0.120 -10.858 36 H ASP 80 H ASP 80 -6.368 -4.859 -12.448 37 HA ASP 80 HA ASP 80 -8.955 -4.474 -11.078 38 1HB ASP 80 1HB ASP 80 -7.784 -6.687 -12.773 39 2HB ASP 80 2HB ASP 80 -9.308 -6.882 -11.909 40 H SER 81 H SER 81 -6.254 -4.706 -9.667 41 HA SER 81 HA SER 81 -6.984 -7.019 -7.920 42 1HB SER 81 1HB SER 81 -4.227 -5.861 -8.419 43 2HB SER 81 2HB SER 81 -4.599 -7.229 -7.374 44 HG SER 81 HG SER 81 -4.124 -8.193 -9.241 45 H GLU 82 H GLU 82 -6.499 -3.627 -8.119 46 HA GLU 82 HA GLU 82 -5.942 -3.312 -5.250 47 1HB GLU 82 1HB GLU 82 -6.830 -1.012 -6.942 48 2HB GLU 82 2HB GLU 82 -5.588 -1.068 -5.691 49 1HG GLU 82 1HG GLU 82 -4.239 -2.547 -7.269 50 2HG GLU 82 2HG GLU 82 -5.406 -2.123 -8.523 51 H GLU 83 H GLU 83 -8.672 -4.002 -7.044 52 HA GLU 83 HA GLU 83 -10.716 -2.370 -6.121 53 1HB GLU 83 1HB GLU 83 -12.212 -4.131 -6.544 54 2HB GLU 83 2HB GLU 83 -10.834 -4.522 -7.573 55 1HG GLU 83 1HG GLU 83 -9.970 -6.055 -5.885 56 2HG GLU 83 2HG GLU 83 -11.281 -5.621 -4.792 57 H GLU 84 H GLU 84 -9.019 -4.908 -4.344 58 HA GLU 84 HA GLU 84 -10.569 -4.206 -1.901 59 1HB GLU 84 1HB GLU 84 -9.624 -6.650 -2.924 60 2HB GLU 84 2HB GLU 84 -8.591 -6.295 -1.537 61 1HG GLU 84 1HG GLU 84 -10.692 -5.820 -0.211 62 2HG GLU 84 2HG GLU 84 -11.614 -6.450 -1.576 63 H ILE 85 H ILE 85 -7.513 -3.728 -3.420 64 HA ILE 85 HA ILE 85 -5.879 -3.362 -1.083 65 HB ILE 85 HB ILE 85 -5.666 -2.127 -3.847 66 1HG1 ILE 85 1HG1 ILE 85 -4.133 -4.423 -2.578 67 2HG1 ILE 85 2HG1 ILE 85 -5.502 -4.642 -3.668 68 1HG2 ILE 85 1HG2 ILE 85 -4.509 -0.879 -1.971 69 2HG2 ILE 85 2HG2 ILE 85 -3.536 -2.326 -1.707 70 3HG2 ILE 85 3HG2 ILE 85 -3.440 -1.468 -3.244 71 1HD1 ILE 85 1HD1 ILE 85 -3.500 -2.786 -4.727 72 2HD1 ILE 85 2HD1 ILE 85 -2.853 -4.402 -4.445 73 3HD1 ILE 85 3HD1 ILE 85 -4.252 -4.184 -5.495 74 H ARG 86 H ARG 86 -7.401 -0.905 -3.205 75 HA ARG 86 HA ARG 86 -6.810 1.304 -1.598 76 1HB ARG 86 1HB ARG 86 -7.851 2.329 -3.319 77 2HB ARG 86 2HB ARG 86 -8.416 0.768 -3.892 78 1HG ARG 86 1HG ARG 86 -10.384 2.054 -3.598 79 2HG ARG 86 2HG ARG 86 -10.318 1.008 -2.181 80 1HD ARG 86 1HD ARG 86 -10.841 3.231 -1.403 81 2HD ARG 86 2HD ARG 86 -9.169 2.905 -0.950 82 HE ARG 86 HE ARG 86 -8.542 4.682 -2.355 83 1HH1 ARG 86 1HH1 ARG 86 -8.788 4.471 -4.941 84 2HH1 ARG 86 2HH1 ARG 86 -10.291 5.159 -5.456 85 1HH2 ARG 86 1HH2 ARG 86 -11.704 5.110 -2.290 86 2HH2 ARG 86 2HH2 ARG 86 -11.942 5.523 -3.956 87 H GLU 87 H GLU 87 -9.571 -0.922 -1.388 88 HA GLU 87 HA GLU 87 -10.927 0.453 0.723 89 1HB GLU 87 1HB GLU 87 -12.078 -1.321 -0.450 90 2HB GLU 87 2HB GLU 87 -10.817 -2.484 -0.036 91 1HG GLU 87 1HG GLU 87 -12.557 -2.923 1.509 92 2HG GLU 87 2HG GLU 87 -11.391 -1.964 2.418 93 H ALA 88 H ALA 88 -8.270 -1.837 0.629 94 HA ALA 88 HA ALA 88 -8.032 -1.772 3.587 95 1HB ALA 88 1HB ALA 88 -7.373 -3.665 1.507 96 2HB ALA 88 2HB ALA 88 -5.931 -3.278 2.446 97 3HB ALA 88 3HB ALA 88 -7.373 -3.898 3.254 98 H PHE 89 H PHE 89 -7.535 0.591 3.192 99 HA PHE 89 HA PHE 89 -4.910 1.300 3.758 100 1HB PHE 89 1HB PHE 89 -4.905 0.431 1.126 101 2HB PHE 89 2HB PHE 89 -5.157 2.162 0.938 102 HD1 PHE 89 HD1 PHE 89 -3.272 0.468 3.677 103 HD2 PHE 89 HD2 PHE 89 -3.027 2.865 0.133 104 HE1 PHE 89 HE1 PHE 89 -0.878 0.896 4.127 105 HE2 PHE 89 HE2 PHE 89 -0.636 3.288 0.574 106 HZ PHE 89 HZ PHE 89 0.447 2.300 2.574 107 H ARG 90 H ARG 90 -7.969 1.993 2.254 108 HA ARG 90 HA ARG 90 -7.850 4.833 2.184 109 1HB ARG 90 1HB ARG 90 -10.259 4.737 2.000 110 2HB ARG 90 2HB ARG 90 -9.610 3.371 1.091 111 1HG ARG 90 1HG ARG 90 -10.081 1.848 2.898 112 2HG ARG 90 2HG ARG 90 -10.512 3.177 3.975 113 1HD ARG 90 1HD ARG 90 -12.419 1.834 2.780 114 2HD ARG 90 2HD ARG 90 -12.532 3.590 2.874 115 HE ARG 90 HE ARG 90 -11.358 2.324 0.443 116 1HH1 ARG 90 1HH1 ARG 90 -12.248 5.285 1.258 117 2HH1 ARG 90 2HH1 ARG 90 -13.573 5.466 0.158 118 1HH2 ARG 90 1HH2 ARG 90 -13.711 2.096 -0.647 119 2HH2 ARG 90 2HH2 ARG 90 -14.402 3.661 -0.920 120 H VAL 91 H VAL 91 -8.194 2.503 4.674 121 HA VAL 91 HA VAL 91 -9.583 3.758 6.682 122 HB VAL 91 HB VAL 91 -6.933 2.307 6.952 123 1HG1 VAL 91 1HG1 VAL 91 -9.052 3.088 8.968 124 2HG1 VAL 91 2HG1 VAL 91 -7.867 1.819 9.274 125 3HG1 VAL 91 3HG1 VAL 91 -7.331 3.479 9.002 126 1HG2 VAL 91 1HG2 VAL 91 -9.220 1.325 5.899 127 2HG2 VAL 91 2HG2 VAL 91 -8.122 0.344 6.870 128 3HG2 VAL 91 3HG2 VAL 91 -9.554 1.059 7.611 129 H PHE 92 H PHE 92 -6.456 4.605 5.384 130 HA PHE 92 HA PHE 92 -6.231 6.824 7.358 131 1HB PHE 92 1HB PHE 92 -4.122 5.737 5.469 132 2HB PHE 92 2HB PHE 92 -3.874 6.845 6.820 133 HD1 PHE 92 HD1 PHE 92 -4.603 6.023 9.176 134 HD2 PHE 92 HD2 PHE 92 -4.006 3.402 5.822 135 HE1 PHE 92 HE1 PHE 92 -4.389 4.094 10.721 136 HE2 PHE 92 HE2 PHE 92 -3.797 1.479 7.373 137 HZ PHE 92 HZ PHE 92 -3.988 1.816 9.816 138 H ASP 93 H ASP 93 -6.129 6.071 3.881 139 HA ASP 93 HA ASP 93 -6.122 8.954 3.216 140 1HB ASP 93 1HB ASP 93 -4.733 7.538 1.814 141 2HB ASP 93 2HB ASP 93 -6.087 6.454 1.494 142 H LYS 94 H LYS 94 -8.403 7.755 4.631 143 HA LYS 94 HA LYS 94 -10.621 7.107 3.051 144 1HB LYS 94 1HB LYS 94 -10.580 8.935 5.476 145 2HB LYS 94 2HB LYS 94 -12.014 8.142 4.821 146 1HG LYS 94 1HG LYS 94 -10.855 5.931 5.166 147 2HG LYS 94 2HG LYS 94 -9.571 6.800 6.008 148 1HD LYS 94 1HD LYS 94 -10.948 6.197 7.788 149 2HD LYS 94 2HD LYS 94 -11.567 7.804 7.404 150 1HE LYS 94 1HE LYS 94 -13.554 6.994 6.659 151 2HE LYS 94 2HE LYS 94 -12.794 5.635 5.830 152 1HZ LYS 94 1HZ LYS 94 -13.229 5.828 8.761 153 2HZ LYS 94 2HZ LYS 94 -14.177 4.916 7.688 154 3HZ LYS 94 3HZ LYS 94 -12.546 4.511 7.939 155 H ASP 95 H ASP 95 -8.971 10.129 3.432 156 HA ASP 95 HA ASP 95 -10.058 11.276 1.057 157 1HB ASP 95 1HB ASP 95 -11.652 11.621 3.463 158 2HB ASP 95 2HB ASP 95 -11.075 13.177 2.866 159 H GLY 96 H GLY 96 -7.555 10.867 2.491 160 1HA GLY 96 1HA GLY 96 -6.740 13.629 3.208 161 2HA GLY 96 2HA GLY 96 -5.810 12.169 3.544 162 H ASN 97 H ASN 97 -5.061 10.964 1.461 163 HA ASN 97 HA ASN 97 -4.749 12.689 -0.899 164 1HB ASN 97 1HB ASN 97 -2.648 12.489 1.166 165 2HB ASN 97 2HB ASN 97 -2.093 12.247 -0.491 166 1HD2 ASN 97 1HD2 ASN 97 -3.346 15.587 -1.466 167 2HD2 ASN 97 2HD2 ASN 97 -3.517 13.989 -2.013 168 H GLY 98 H GLY 98 -3.876 9.697 0.778 169 1HA GLY 98 1HA GLY 98 -4.307 7.609 -0.578 170 2HA GLY 98 2HA GLY 98 -3.492 8.436 -1.909 171 H TYR 99 H TYR 99 -1.349 9.595 -0.658 172 HA TYR 99 HA TYR 99 0.348 7.271 -0.144 173 1HB TYR 99 1HB TYR 99 2.128 8.691 -0.525 174 2HB TYR 99 2HB TYR 99 0.874 9.611 -1.350 175 HD1 TYR 99 HD1 TYR 99 2.690 9.258 1.879 176 HD2 TYR 99 HD2 TYR 99 0.236 11.779 -0.587 177 HE1 TYR 99 HE1 TYR 99 3.092 11.152 3.422 178 HE2 TYR 99 HE2 TYR 99 0.636 13.677 0.960 179 HH TYR 99 HH TYR 99 1.258 13.939 3.423 180 H ILE 100 H ILE 100 0.403 6.381 1.876 181 HA ILE 100 HA ILE 100 -0.271 8.144 4.168 182 HB ILE 100 HB ILE 100 0.060 5.454 5.019 183 1HG1 ILE 100 1HG1 ILE 100 -1.632 5.735 2.514 184 2HG1 ILE 100 2HG1 ILE 100 -0.230 4.682 2.725 185 1HG2 ILE 100 1HG2 ILE 100 -1.525 7.456 5.665 186 2HG2 ILE 100 2HG2 ILE 100 -2.611 6.699 4.500 187 3HG2 ILE 100 3HG2 ILE 100 -2.055 5.791 5.907 188 1HD1 ILE 100 1HD1 ILE 100 -2.689 4.495 4.468 189 2HD1 ILE 100 2HD1 ILE 100 -2.486 3.556 2.993 190 3HD1 ILE 100 3HD1 ILE 100 -1.365 3.334 4.334 191 H SER 101 H SER 101 1.743 5.224 4.300 192 HA SER 101 HA SER 101 4.295 6.376 4.387 193 1HB SER 101 1HB SER 101 3.740 7.826 6.157 194 2HB SER 101 2HB SER 101 2.733 6.615 6.946 195 HG SER 101 HG SER 101 5.555 6.752 6.769 196 H ALA 102 H ALA 102 5.830 4.992 5.842 197 HA ALA 102 HA ALA 102 5.328 2.216 5.267 198 1HB ALA 102 1HB ALA 102 7.580 3.587 5.739 199 2HB ALA 102 2HB ALA 102 7.306 2.979 7.372 200 3HB ALA 102 3HB ALA 102 7.478 1.850 6.028 201 H ALA 103 H ALA 103 4.841 4.253 8.090 202 HA ALA 103 HA ALA 103 4.342 2.071 9.923 203 1HB ALA 103 1HB ALA 103 4.633 4.854 10.129 204 2HB ALA 103 2HB ALA 103 2.968 4.537 10.617 205 3HB ALA 103 3HB ALA 103 4.300 3.735 11.450 206 H GLU 104 H GLU 104 2.513 3.613 7.459 207 HA GLU 104 HA GLU 104 -0.094 2.831 8.573 208 1HB GLU 104 1HB GLU 104 0.803 4.056 5.956 209 2HB GLU 104 2HB GLU 104 -0.871 3.563 6.235 210 1HG GLU 104 1HG GLU 104 0.535 5.323 8.235 211 2HG GLU 104 2HG GLU 104 -0.170 6.029 6.781 212 H LEU 105 H LEU 105 1.955 1.919 5.806 213 HA LEU 105 HA LEU 105 0.358 -0.224 4.860 214 1HB LEU 105 1HB LEU 105 2.825 0.911 4.201 215 2HB LEU 105 2HB LEU 105 3.205 -0.759 4.629 216 HG LEU 105 HG LEU 105 0.787 -0.655 3.044 217 1HD1 LEU 105 1HD1 LEU 105 2.992 1.101 2.226 218 2HD1 LEU 105 2HD1 LEU 105 2.554 -0.091 1.002 219 3HD1 LEU 105 3HD1 LEU 105 1.331 1.015 1.625 220 1HD2 LEU 105 1HD2 LEU 105 3.329 -2.101 3.267 221 2HD2 LEU 105 2HD2 LEU 105 1.753 -2.692 2.750 222 3HD2 LEU 105 3HD2 LEU 105 2.818 -1.900 1.592 223 H ARG 106 H ARG 106 2.948 -0.185 7.324 224 HA ARG 106 HA ARG 106 3.157 -2.936 7.796 225 1HB ARG 106 1HB ARG 106 3.551 -2.275 10.221 226 2HB ARG 106 2HB ARG 106 4.573 -1.459 9.040 227 1HG ARG 106 1HG ARG 106 3.871 0.363 10.255 228 2HG ARG 106 2HG ARG 106 2.566 0.294 9.071 229 1HD ARG 106 1HD ARG 106 1.071 -0.052 10.714 230 2HD ARG 106 2HD ARG 106 1.948 -1.492 11.228 231 HE ARG 106 HE ARG 106 3.445 0.506 12.341 232 1HH1 ARG 106 1HH1 ARG 106 1.354 2.461 12.454 233 2HH1 ARG 106 2HH1 ARG 106 0.452 2.056 13.876 234 1HH2 ARG 106 1HH2 ARG 106 1.729 -1.161 14.090 235 2HH2 ARG 106 2HH2 ARG 106 0.663 0.004 14.801 236 H HIS 107 H HIS 107 0.664 -0.695 8.893 237 HA HIS 107 HA HIS 107 -0.720 -2.773 10.425 238 1HB HIS 107 1HB HIS 107 -0.744 -0.380 11.113 239 2HB HIS 107 2HB HIS 107 -1.672 0.001 9.661 240 HD1 HIS 107 HD1 HIS 107 -2.141 -0.865 13.119 241 HD2 HIS 107 HD2 HIS 107 -4.195 -1.719 9.591 242 HE1 HIS 107 HE1 HIS 107 -4.461 -1.616 13.804 243 H VAL 108 H VAL 108 -0.929 -1.507 7.148 244 HA VAL 108 HA VAL 108 -3.613 -2.711 6.815 245 HB VAL 108 HB VAL 108 -1.970 -1.508 4.592 246 1HG1 VAL 108 1HG1 VAL 108 -4.721 -2.411 5.049 247 2HG1 VAL 108 2HG1 VAL 108 -4.635 -0.785 4.376 248 3HG1 VAL 108 3HG1 VAL 108 -3.868 -2.130 3.532 249 1HG2 VAL 108 1HG2 VAL 108 -2.726 -0.202 7.002 250 2HG2 VAL 108 2HG2 VAL 108 -2.082 0.535 5.535 251 3HG2 VAL 108 3HG2 VAL 108 -3.825 0.361 5.744 252 H MET 109 H MET 109 -0.495 -3.088 5.047 253 HA MET 109 HA MET 109 -1.400 -5.494 3.776 254 1HB MET 109 1HB MET 109 1.028 -3.932 3.859 255 2HB MET 109 2HB MET 109 1.394 -5.656 3.941 256 1HG MET 109 1HG MET 109 -0.046 -6.055 1.971 257 2HG MET 109 2HG MET 109 -0.389 -4.328 1.878 258 1HE MET 109 1HE MET 109 2.605 -6.726 2.433 259 2HE MET 109 2HE MET 109 3.957 -5.795 1.794 260 3HE MET 109 3HE MET 109 3.074 -5.218 3.215 261 H THR 110 H THR 110 -0.664 -4.975 7.009 262 HA THR 110 HA THR 110 0.508 -7.640 7.491 263 HB THR 110 HB THR 110 -0.202 -5.286 9.237 264 HG1 THR 110 HG1 THR 110 2.208 -6.735 9.087 265 1HG2 THR 110 1HG2 THR 110 0.370 -8.124 10.047 266 2HG2 THR 110 2HG2 THR 110 0.840 -6.780 11.088 267 3HG2 THR 110 3HG2 THR 110 -0.856 -7.020 10.669 268 H ASN 111 H ASN 111 -2.540 -6.475 6.938 269 HA ASN 111 HA ASN 111 -3.778 -8.741 8.438 270 1HB ASN 111 1HB ASN 111 -5.479 -6.374 7.835 271 2HB ASN 111 2HB ASN 111 -5.495 -7.435 9.240 272 1HD2 ASN 111 1HD2 ASN 111 -4.144 -4.037 10.200 273 2HD2 ASN 111 2HD2 ASN 111 -5.565 -4.540 9.420 274 H LEU 112 H LEU 112 -3.857 -6.563 5.685 275 HA LEU 112 HA LEU 112 -5.934 -7.358 4.111 276 1HB LEU 112 1HB LEU 112 -3.095 -6.661 3.535 277 2HB LEU 112 2HB LEU 112 -4.012 -7.387 2.219 278 HG LEU 112 HG LEU 112 -4.001 -4.755 2.588 279 1HD1 LEU 112 1HD1 LEU 112 -5.531 -6.559 1.177 280 2HD1 LEU 112 2HD1 LEU 112 -6.754 -5.677 2.093 281 3HD1 LEU 112 3HD1 LEU 112 -5.648 -4.806 1.030 282 1HD2 LEU 112 1HD2 LEU 112 -5.026 -5.359 4.995 283 2HD2 LEU 112 2HD2 LEU 112 -5.504 -3.904 4.128 284 3HD2 LEU 112 3HD2 LEU 112 -6.529 -5.337 4.078 285 H GLY 113 H GLY 113 -3.141 -9.284 4.942 286 1HA GLY 113 1HA GLY 113 -3.900 -11.794 4.929 287 2HA GLY 113 2HA GLY 113 -4.103 -11.495 3.200 288 H GLU 114 H GLU 114 -1.768 -9.563 3.346 289 HA GLU 114 HA GLU 114 0.281 -11.384 2.519 290 1HB GLU 114 1HB GLU 114 0.350 -8.465 3.327 291 2HB GLU 114 2HB GLU 114 1.782 -9.329 2.766 292 1HG GLU 114 1HG GLU 114 0.949 -8.380 0.788 293 2HG GLU 114 2HG GLU 114 0.284 -10.013 0.743 294 H LYS 115 H LYS 115 -0.308 -9.684 5.614 295 HA LYS 115 HA LYS 115 0.707 -10.014 7.716 296 1HB LYS 115 1HB LYS 115 -0.357 -12.308 7.136 297 2HB LYS 115 2HB LYS 115 1.294 -12.823 6.784 298 1HG LYS 115 1HG LYS 115 2.011 -12.410 9.016 299 2HG LYS 115 2HG LYS 115 0.557 -11.483 9.390 300 1HD LYS 115 1HD LYS 115 0.304 -14.356 8.542 301 2HD LYS 115 2HD LYS 115 0.742 -13.973 10.208 302 1HE LYS 115 1HE LYS 115 -1.491 -12.361 9.180 303 2HE LYS 115 2HE LYS 115 -1.838 -14.088 9.245 304 1HZ LYS 115 1HZ LYS 115 -0.780 -12.458 11.492 305 2HZ LYS 115 2HZ LYS 115 -2.386 -12.985 11.328 306 3HZ LYS 115 3HZ LYS 115 -1.138 -14.116 11.552 307 H LEU 116 H LEU 116 2.597 -8.788 7.649 308 HA LEU 116 HA LEU 116 5.096 -10.289 7.246 309 1HB LEU 116 1HB LEU 116 5.994 -8.767 5.583 310 2HB LEU 116 2HB LEU 116 4.466 -9.403 4.986 311 HG LEU 116 HG LEU 116 4.453 -6.861 6.577 312 1HD1 LEU 116 1HD1 LEU 116 5.190 -7.155 3.647 313 2HD1 LEU 116 2HD1 LEU 116 4.709 -5.630 4.388 314 3HD1 LEU 116 3HD1 LEU 116 6.182 -6.445 4.919 315 1HD2 LEU 116 1HD2 LEU 116 2.617 -8.459 5.056 316 2HD2 LEU 116 2HD2 LEU 116 2.287 -6.993 5.977 317 3HD2 LEU 116 3HD2 LEU 116 2.762 -6.881 4.283 318 H THR 117 H THR 117 4.058 -9.333 9.540 319 HA THR 117 HA THR 117 4.274 -7.799 11.324 320 HB THR 117 HB THR 117 6.504 -7.797 12.143 321 HG1 THR 117 HG1 THR 117 8.259 -8.101 10.769 322 1HG2 THR 117 1HG2 THR 117 5.403 -10.043 11.837 323 2HG2 THR 117 2HG2 THR 117 6.312 -10.220 10.336 324 3HG2 THR 117 3HG2 THR 117 7.165 -10.102 11.874 325 H ASP 118 H ASP 118 6.240 -5.877 11.796 326 HA ASP 118 HA ASP 118 5.384 -3.766 9.884 327 1HB ASP 118 1HB ASP 118 5.038 -3.592 12.445 328 2HB ASP 118 2HB ASP 118 6.777 -3.305 12.520 329 H GLU 119 H GLU 119 8.091 -5.599 10.980 330 HA GLU 119 HA GLU 119 10.097 -3.716 9.954 331 1HB GLU 119 1HB GLU 119 10.244 -6.532 11.060 332 2HB GLU 119 2HB GLU 119 11.658 -5.676 10.442 333 1HG GLU 119 1HG GLU 119 11.426 -3.937 12.086 334 2HG GLU 119 2HG GLU 119 9.849 -4.546 12.590 335 H GLU 120 H GLU 120 8.420 -6.637 8.893 336 HA GLU 120 HA GLU 120 10.106 -7.035 6.553 337 1HB GLU 120 1HB GLU 120 7.275 -7.960 6.521 338 2HB GLU 120 2HB GLU 120 8.729 -8.815 6.034 339 1HG GLU 120 1HG GLU 120 8.973 -8.392 8.822 340 2HG GLU 120 2HG GLU 120 7.308 -8.940 8.552 341 H VAL 121 H VAL 121 7.040 -5.419 7.240 342 HA VAL 121 HA VAL 121 6.521 -4.655 4.496 343 HB VAL 121 HB VAL 121 4.657 -4.772 6.020 344 1HG1 VAL 121 1HG1 VAL 121 6.401 -3.878 7.936 345 2HG1 VAL 121 2HG1 VAL 121 5.397 -2.455 7.669 346 3HG1 VAL 121 3HG1 VAL 121 4.656 -3.984 8.138 347 1HG2 VAL 121 1HG2 VAL 121 5.162 -2.618 4.383 348 2HG2 VAL 121 2HG2 VAL 121 3.617 -2.948 5.166 349 3HG2 VAL 121 3HG2 VAL 121 4.764 -1.837 5.914 350 H ASP 122 H ASP 122 7.780 -2.857 7.323 351 HA ASP 122 HA ASP 122 8.146 -0.364 6.064 352 1HB ASP 122 1HB ASP 122 9.612 -1.770 8.293 353 2HB ASP 122 2HB ASP 122 10.130 -0.179 7.737 354 H GLU 123 H GLU 123 10.199 -3.255 5.997 355 HA GLU 123 HA GLU 123 12.379 -1.950 4.596 356 1HB GLU 123 1HB GLU 123 11.699 -4.694 5.466 357 2HB GLU 123 2HB GLU 123 12.702 -4.595 4.018 358 1HG GLU 123 1HG GLU 123 14.007 -2.792 5.484 359 2HG GLU 123 2HG GLU 123 13.314 -3.726 6.811 360 H MET 124 H MET 124 9.393 -3.491 3.618 361 HA MET 124 HA MET 124 10.276 -3.606 0.795 362 1HB MET 124 1HB MET 124 8.573 -5.190 2.248 363 2HB MET 124 2HB MET 124 7.439 -4.132 1.408 364 1HG MET 124 1HG MET 124 9.705 -5.500 -0.046 365 2HG MET 124 2HG MET 124 8.141 -6.283 0.181 366 1HE MET 124 1HE MET 124 10.342 -4.255 -1.652 367 2HE MET 124 2HE MET 124 9.571 -5.310 -2.834 368 3HE MET 124 3HE MET 124 9.440 -3.553 -2.992 369 H ILE 125 H ILE 125 8.976 -1.315 2.867 370 HA ILE 125 HA ILE 125 7.211 -0.046 0.876 371 HB ILE 125 HB ILE 125 7.461 0.029 3.695 372 1HG1 ILE 125 1HG1 ILE 125 5.627 1.980 3.003 373 2HG1 ILE 125 2HG1 ILE 125 5.705 0.964 1.561 374 1HG2 ILE 125 1HG2 ILE 125 8.131 2.698 2.425 375 2HG2 ILE 125 2HG2 ILE 125 7.461 2.547 4.047 376 3HG2 ILE 125 3HG2 ILE 125 9.035 1.846 3.676 377 1HD1 ILE 125 1HD1 ILE 125 5.677 -0.936 3.512 378 2HD1 ILE 125 2HD1 ILE 125 4.705 0.323 4.271 379 3HD1 ILE 125 3HD1 ILE 125 4.225 -0.342 2.709 380 H ARG 126 H ARG 126 10.477 0.400 2.187 381 HA ARG 126 HA ARG 126 11.055 2.962 1.176 382 1HB ARG 126 1HB ARG 126 13.433 2.028 0.892 383 2HB ARG 126 2HB ARG 126 12.731 1.904 2.505 384 1HG ARG 126 1HG ARG 126 12.152 -0.415 2.151 385 2HG ARG 126 2HG ARG 126 12.609 -0.319 0.451 386 1HD ARG 126 1HD ARG 126 14.381 -1.396 1.803 387 2HD ARG 126 2HD ARG 126 14.944 0.113 1.086 388 HE ARG 126 HE ARG 126 13.868 0.341 3.818 389 1HH1 ARG 126 1HH1 ARG 126 15.710 2.385 2.865 390 2HH1 ARG 126 2HH1 ARG 126 17.239 1.895 3.516 391 1HH2 ARG 126 1HH2 ARG 126 16.218 -1.351 4.178 392 2HH2 ARG 126 2HH2 ARG 126 17.525 -0.220 4.260 393 H GLU 127 H GLU 127 10.388 0.040 -0.502 394 HA GLU 127 HA GLU 127 11.698 0.790 -2.997 395 1HB GLU 127 1HB GLU 127 9.839 -1.407 -2.111 396 2HB GLU 127 2HB GLU 127 10.227 -1.185 -3.821 397 1HG GLU 127 1HG GLU 127 12.719 -1.057 -2.782 398 2HG GLU 127 2HG GLU 127 11.960 -2.116 -1.593 399 H ALA 128 H ALA 128 8.386 0.935 -1.688 400 HA ALA 128 HA ALA 128 7.467 2.078 -4.278 401 1HB ALA 128 1HB ALA 128 6.264 0.519 -2.116 402 2HB ALA 128 2HB ALA 128 5.267 1.895 -2.605 403 3HB ALA 128 3HB ALA 128 5.753 0.690 -3.799 404 H ASP 129 H ASP 129 8.590 3.199 -1.316 405 HA ASP 129 HA ASP 129 6.791 5.538 -1.232 406 1HB ASP 129 1HB ASP 129 7.970 6.120 0.827 407 2HB ASP 129 2HB ASP 129 7.480 4.426 0.885 408 H ILE 130 H ILE 130 8.603 7.475 -0.350 409 HA ILE 130 HA ILE 130 9.777 9.232 -1.405 410 HB ILE 130 HB ILE 130 12.066 8.675 -1.694 411 1HG1 ILE 130 1HG1 ILE 130 11.236 5.790 -2.136 412 2HG1 ILE 130 2HG1 ILE 130 11.619 6.910 -3.441 413 1HG2 ILE 130 1HG2 ILE 130 10.887 8.059 0.556 414 2HG2 ILE 130 2HG2 ILE 130 11.170 6.392 0.053 415 3HG2 ILE 130 3HG2 ILE 130 12.533 7.490 0.277 416 1HD1 ILE 130 1HD1 ILE 130 13.581 6.566 -1.199 417 2HD1 ILE 130 2HD1 ILE 130 13.497 5.336 -2.460 418 3HD1 ILE 130 3HD1 ILE 130 13.876 7.007 -2.881 419 H ASP 131 H ASP 131 7.820 7.880 -3.177 420 HA ASP 131 HA ASP 131 9.096 7.620 -5.785 421 1HB ASP 131 1HB ASP 131 6.611 6.929 -4.676 422 2HB ASP 131 2HB ASP 131 6.246 8.136 -5.910 423 H GLY 132 H GLY 132 9.409 10.242 -4.314 424 1HA GLY 132 1HA GLY 132 9.627 12.461 -5.049 425 2HA GLY 132 2HA GLY 132 8.967 11.961 -6.604 426 H ASP 133 H ASP 133 6.703 10.825 -4.559 427 HA ASP 133 HA ASP 133 5.375 13.328 -3.850 428 1HB ASP 133 1HB ASP 133 4.513 11.705 -6.240 429 2HB ASP 133 2HB ASP 133 3.350 12.672 -5.331 430 H GLY 134 H GLY 134 5.267 12.321 -1.772 431 1HA GLY 134 1HA GLY 134 3.960 11.226 -0.136 432 2HA GLY 134 2HA GLY 134 2.939 10.593 -1.427 433 H GLN 135 H GLN 135 4.286 9.274 0.945 434 HA GLN 135 HA GLN 135 6.375 7.556 0.001 435 1HB GLN 135 1HB GLN 135 4.355 7.220 2.238 436 2HB GLN 135 2HB GLN 135 5.723 6.135 1.978 437 1HG GLN 135 1HG GLN 135 6.288 9.064 2.096 438 2HG GLN 135 2HG GLN 135 5.901 8.247 3.610 439 1HE2 GLN 135 1HE2 GLN 135 9.605 7.917 2.291 440 2HE2 GLN 135 2HE2 GLN 135 8.532 9.182 1.924 441 H VAL 136 H VAL 136 3.572 5.840 1.176 442 HA VAL 136 HA VAL 136 3.434 4.422 -1.446 443 HB VAL 136 HB VAL 136 3.825 2.911 0.360 444 1HG1 VAL 136 1HG1 VAL 136 1.577 4.386 1.759 445 2HG1 VAL 136 2HG1 VAL 136 2.279 2.885 2.354 446 3HG1 VAL 136 3HG1 VAL 136 3.270 4.335 2.238 447 1HG2 VAL 136 1HG2 VAL 136 1.499 2.839 -1.207 448 2HG2 VAL 136 2HG2 VAL 136 2.242 1.475 -0.381 449 3HG2 VAL 136 3HG2 VAL 136 0.968 2.396 0.412 450 H ASN 137 H ASN 137 1.870 5.353 -2.725 451 HA ASN 137 HA ASN 137 -0.659 6.158 -1.358 452 1HB ASN 137 1HB ASN 137 -0.879 7.580 -3.533 453 2HB ASN 137 2HB ASN 137 0.193 8.118 -2.239 454 1HD2 ASN 137 1HD2 ASN 137 2.182 6.165 -5.281 455 2HD2 ASN 137 2HD2 ASN 137 0.789 5.471 -4.612 456 H TYR 138 H TYR 138 -1.041 3.662 -1.799 457 HA TYR 138 HA TYR 138 -2.374 2.110 -2.950 458 1HB TYR 138 1HB TYR 138 -3.229 4.673 -4.303 459 2HB TYR 138 2HB TYR 138 -3.954 3.106 -4.667 460 HD1 TYR 138 HD1 TYR 138 -2.796 4.598 -1.412 461 HD2 TYR 138 HD2 TYR 138 -6.057 3.052 -3.727 462 HE1 TYR 138 HE1 TYR 138 -4.256 4.770 0.557 463 HE2 TYR 138 HE2 TYR 138 -7.528 3.234 -1.750 464 HH TYR 138 HH TYR 138 -6.266 4.405 1.366 465 H GLU 139 H GLU 139 -1.973 4.235 -5.747 466 HA GLU 139 HA GLU 139 -1.368 2.296 -7.594 467 1HB GLU 139 1HB GLU 139 0.167 4.898 -7.615 468 2HB GLU 139 2HB GLU 139 -0.469 3.989 -8.988 469 1HG GLU 139 1HG GLU 139 -2.788 4.436 -7.762 470 2HG GLU 139 2HG GLU 139 -1.899 5.804 -7.088 471 H GLU 140 H GLU 140 0.770 3.702 -5.187 472 HA GLU 140 HA GLU 140 3.081 2.145 -6.186 473 1HB GLU 140 1HB GLU 140 2.670 4.404 -4.310 474 2HB GLU 140 2HB GLU 140 3.950 3.273 -3.872 475 1HG GLU 140 1HG GLU 140 3.676 4.656 -6.557 476 2HG GLU 140 2HG GLU 140 4.826 5.095 -5.293 477 H PHE 141 H PHE 141 0.686 2.202 -3.678 478 HA PHE 141 HA PHE 141 1.823 0.367 -1.804 479 1HB PHE 141 1HB PHE 141 -0.134 1.849 -1.386 480 2HB PHE 141 2HB PHE 141 -1.084 0.873 -2.496 481 HD1 PHE 141 HD1 PHE 141 1.328 -1.042 -0.647 482 HD2 PHE 141 HD2 PHE 141 -2.607 0.650 -0.459 483 HE1 PHE 141 HE1 PHE 141 0.750 -2.587 1.188 484 HE2 PHE 141 HE2 PHE 141 -3.189 -0.877 1.386 485 HZ PHE 141 HZ PHE 141 -1.512 -2.521 2.218 486 H VAL 142 H VAL 142 0.278 -0.176 -4.899 487 HA VAL 142 HA VAL 142 -0.349 -2.972 -4.355 488 HB VAL 142 HB VAL 142 -1.712 -1.907 -5.996 489 1HG1 VAL 142 1HG1 VAL 142 0.926 -0.930 -7.055 490 2HG1 VAL 142 2HG1 VAL 142 -0.466 -1.029 -8.133 491 3HG1 VAL 142 3HG1 VAL 142 -0.536 -0.011 -6.694 492 1HG2 VAL 142 1HG2 VAL 142 -0.807 -4.247 -6.527 493 2HG2 VAL 142 2HG2 VAL 142 -1.452 -3.335 -7.892 494 3HG2 VAL 142 3HG2 VAL 142 0.293 -3.454 -7.654 495 H GLN 143 H GLN 143 2.530 -1.456 -4.609 496 HA GLN 143 HA GLN 143 3.854 -3.427 -6.358 497 1HB GLN 143 1HB GLN 143 4.603 -1.110 -6.495 498 2HB GLN 143 2HB GLN 143 4.931 -1.084 -4.764 499 1HG GLN 143 1HG GLN 143 6.707 -2.682 -4.989 500 2HG GLN 143 2HG GLN 143 6.266 -3.028 -6.661 501 1HE2 GLN 143 1HE2 GLN 143 7.381 0.435 -7.589 502 2HE2 GLN 143 2HE2 GLN 143 5.892 -0.379 -7.634 503 H MET 144 H MET 144 3.402 -2.766 -2.932 504 HA MET 144 HA MET 144 5.475 -4.745 -2.221 505 1HB MET 144 1HB MET 144 3.908 -4.029 0.060 506 2HB MET 144 2HB MET 144 5.586 -3.633 -0.282 507 1HG MET 144 1HG MET 144 4.574 -1.818 -1.844 508 2HG MET 144 2HG MET 144 3.109 -2.042 -0.881 509 1HE MET 144 1HE MET 144 3.931 0.289 -1.266 510 2HE MET 144 2HE MET 144 3.857 1.042 0.331 511 3HE MET 144 3HE MET 144 5.377 1.023 -0.551 512 H MET 145 H MET 145 2.187 -4.794 -3.008 513 HA MET 145 HA MET 145 1.710 -7.232 -1.364 514 1HB MET 145 1HB MET 145 -0.649 -6.797 -2.709 515 2HB MET 145 2HB MET 145 -0.292 -6.203 -1.090 516 1HG MET 145 1HG MET 145 0.682 -4.127 -2.196 517 2HG MET 145 2HG MET 145 -0.014 -4.710 -3.709 518 1HE MET 145 1HE MET 145 -0.491 -3.972 -0.093 519 2HE MET 145 2HE MET 145 -2.191 -3.573 0.144 520 3HE MET 145 3HE MET 145 -1.712 -5.252 -0.089 521 H THR 146 H THR 146 2.654 -6.324 -4.488 522 HA THR 146 HA THR 146 2.400 -9.115 -5.382 523 HB THR 146 HB THR 146 0.241 -8.061 -6.057 524 HG1 THR 146 HG1 THR 146 0.858 -9.623 -7.423 525 1HG2 THR 146 1HG2 THR 146 2.053 -5.946 -6.842 526 2HG2 THR 146 2HG2 THR 146 1.065 -6.452 -8.213 527 3HG2 THR 146 3HG2 THR 146 0.294 -5.913 -6.721 528 H ALA 147 H ALA 147 4.495 -6.998 -4.823 529 HA ALA 147 HA ALA 147 5.721 -5.943 -7.082 530 1HB ALA 147 1HB ALA 147 6.520 -6.565 -4.433 531 2HB ALA 147 2HB ALA 147 7.747 -7.247 -5.501 532 3HB ALA 147 3HB ALA 147 7.357 -5.529 -5.589 533 H LYS 148 H LYS 148 6.944 -6.767 -8.787 534 HA LYS 148 HA LYS 148 7.176 -9.749 -8.908 535 1HB LYS 148 1HB LYS 148 6.811 -9.584 -11.337 536 2HB LYS 148 2HB LYS 148 5.444 -8.898 -10.459 537 1HG LYS 148 1HG LYS 148 6.978 -6.687 -10.687 538 2HG LYS 148 2HG LYS 148 7.481 -7.543 -12.145 539 1HD LYS 148 1HD LYS 148 5.407 -7.382 -13.123 540 2HD LYS 148 2HD LYS 148 4.559 -7.451 -11.579 541 1HE LYS 148 1HE LYS 148 6.021 -5.084 -11.428 542 2HE LYS 148 2HE LYS 148 5.446 -5.121 -13.095 543 1HZ LYS 148 1HZ LYS 148 3.675 -5.646 -10.779 544 2HZ LYS 148 2HZ LYS 148 3.904 -4.093 -11.420 545 3HZ LYS 148 3HZ LYS 148 3.227 -5.316 -12.384 No H/Q in entry = 545 Start of MODEL 12 Raw file had 555 H/Q atoms Start of MODEL 12 1 1H MET 76 1H MET 76 -5.675 2.529 -20.754 2 2H MET 76 2H MET 76 -6.926 1.979 -21.763 3 3H MET 76 3H MET 76 -7.285 2.609 -20.227 4 HA MET 76 HA MET 76 -7.390 0.434 -19.678 5 1HB MET 76 1HB MET 76 -6.066 -1.302 -20.874 6 2HB MET 76 2HB MET 76 -7.056 -0.346 -21.977 7 1HG MET 76 1HG MET 76 -5.167 0.063 -23.141 8 2HG MET 76 2HG MET 76 -4.665 1.084 -21.794 9 1HE MET 76 1HE MET 76 -3.609 -0.756 -24.084 10 2HE MET 76 2HE MET 76 -2.137 -1.564 -23.528 11 3HE MET 76 3HE MET 76 -3.645 -2.465 -23.655 12 H LYS 77 H LYS 77 -5.571 2.582 -18.734 13 HA LYS 77 HA LYS 77 -3.722 0.822 -17.218 14 1HB LYS 77 1HB LYS 77 -2.059 2.898 -17.534 15 2HB LYS 77 2HB LYS 77 -2.084 1.550 -18.670 16 1HG LYS 77 1HG LYS 77 -2.170 3.588 -19.961 17 2HG LYS 77 2HG LYS 77 -3.767 2.843 -20.039 18 1HD LYS 77 1HD LYS 77 -4.079 5.198 -19.595 19 2HD LYS 77 2HD LYS 77 -4.462 4.318 -18.116 20 1HE LYS 77 1HE LYS 77 -3.057 6.240 -17.569 21 2HE LYS 77 2HE LYS 77 -2.146 4.753 -17.298 22 1HZ LYS 77 1HZ LYS 77 -1.981 5.949 -19.952 23 2HZ LYS 77 2HZ LYS 77 -1.186 6.766 -18.697 24 3HZ LYS 77 3HZ LYS 77 -0.788 5.151 -19.042 25 H ASP 78 H ASP 78 -6.133 1.971 -16.328 26 HA ASP 78 HA ASP 78 -5.301 4.336 -14.729 27 1HB ASP 78 1HB ASP 78 -7.699 4.537 -14.180 28 2HB ASP 78 2HB ASP 78 -7.458 4.478 -15.927 29 H THR 79 H THR 79 -4.594 1.355 -14.304 30 HA THR 79 HA THR 79 -4.357 -0.093 -12.471 31 HB THR 79 HB THR 79 -4.930 1.790 -10.355 32 HG1 THR 79 HG1 THR 79 -3.812 3.502 -11.008 33 1HG2 THR 79 1HG2 THR 79 -2.341 0.667 -11.461 34 2HG2 THR 79 2HG2 THR 79 -2.537 1.430 -9.883 35 3HG2 THR 79 3HG2 THR 79 -3.349 -0.096 -10.232 36 H ASP 80 H ASP 80 -6.380 -1.187 -12.994 37 HA ASP 80 HA ASP 80 -8.724 -0.338 -11.363 38 1HB ASP 80 1HB ASP 80 -8.542 -1.219 -13.989 39 2HB ASP 80 2HB ASP 80 -9.096 -2.651 -13.122 40 H SER 81 H SER 81 -6.133 -2.512 -11.307 41 HA SER 81 HA SER 81 -7.546 -4.676 -9.918 42 1HB SER 81 1HB SER 81 -4.555 -4.289 -9.982 43 2HB SER 81 2HB SER 81 -5.464 -5.793 -9.868 44 HG SER 81 HG SER 81 -5.917 -5.695 -11.976 45 H GLU 82 H GLU 82 -6.766 -1.630 -8.989 46 HA GLU 82 HA GLU 82 -5.719 -2.317 -6.319 47 1HB GLU 82 1HB GLU 82 -6.677 0.428 -7.069 48 2HB GLU 82 2HB GLU 82 -5.334 -0.038 -6.023 49 1HG GLU 82 1HG GLU 82 -4.546 -1.139 -8.396 50 2HG GLU 82 2HG GLU 82 -5.403 0.297 -8.959 51 H GLU 83 H GLU 83 -8.536 -2.994 -7.427 52 HA GLU 83 HA GLU 83 -10.414 -1.480 -5.851 53 1HB GLU 83 1HB GLU 83 -10.569 -4.259 -7.059 54 2HB GLU 83 2HB GLU 83 -11.929 -3.455 -6.275 55 1HG GLU 83 1HG GLU 83 -10.803 -1.593 -8.106 56 2HG GLU 83 2HG GLU 83 -10.975 -3.126 -8.962 57 H GLU 84 H GLU 84 -8.285 -4.151 -5.191 58 HA GLU 84 HA GLU 84 -9.588 -4.640 -2.562 59 1HB GLU 84 1HB GLU 84 -8.076 -6.245 -4.432 60 2HB GLU 84 2HB GLU 84 -7.293 -6.266 -2.852 61 1HG GLU 84 1HG GLU 84 -9.806 -6.595 -2.017 62 2HG GLU 84 2HG GLU 84 -9.996 -7.262 -3.640 63 H ILE 85 H ILE 85 -6.458 -3.729 -3.989 64 HA ILE 85 HA ILE 85 -4.955 -3.403 -1.617 65 HB ILE 85 HB ILE 85 -4.893 -1.809 -4.197 66 1HG1 ILE 85 1HG1 ILE 85 -2.653 -3.563 -3.686 67 2HG1 ILE 85 2HG1 ILE 85 -4.162 -4.470 -3.574 68 1HG2 ILE 85 1HG2 ILE 85 -3.879 -0.674 -2.153 69 2HG2 ILE 85 2HG2 ILE 85 -2.723 -2.007 -2.098 70 3HG2 ILE 85 3HG2 ILE 85 -2.775 -0.941 -3.503 71 1HD1 ILE 85 1HD1 ILE 85 -3.680 -2.571 -5.862 72 2HD1 ILE 85 2HD1 ILE 85 -3.051 -4.217 -5.912 73 3HD1 ILE 85 3HD1 ILE 85 -4.788 -3.941 -5.779 74 H ARG 86 H ARG 86 -7.198 -1.138 -3.215 75 HA ARG 86 HA ARG 86 -6.675 1.001 -1.380 76 1HB ARG 86 1HB ARG 86 -8.226 2.194 -2.577 77 2HB ARG 86 2HB ARG 86 -7.989 0.889 -3.735 78 1HG ARG 86 1HG ARG 86 -10.303 0.897 -3.568 79 2HG ARG 86 2HG ARG 86 -9.901 -0.276 -2.314 80 1HD ARG 86 1HD ARG 86 -9.791 1.821 -0.745 81 2HD ARG 86 2HD ARG 86 -10.747 2.595 -2.010 82 HE ARG 86 HE ARG 86 -11.649 0.381 -0.272 83 1HH1 ARG 86 1HH1 ARG 86 -12.992 -0.669 -2.367 84 2HH1 ARG 86 2HH1 ARG 86 -14.313 0.386 -2.742 85 1HH2 ARG 86 1HH2 ARG 86 -12.988 3.091 -1.024 86 2HH2 ARG 86 2HH2 ARG 86 -14.310 2.515 -1.982 87 H GLU 87 H GLU 87 -8.742 -1.810 -1.252 88 HA GLU 87 HA GLU 87 -10.441 -0.910 0.892 89 1HB GLU 87 1HB GLU 87 -11.093 -2.873 -0.368 90 2HB GLU 87 2HB GLU 87 -9.574 -3.684 0.016 91 1HG GLU 87 1HG GLU 87 -10.161 -3.938 2.301 92 2HG GLU 87 2HG GLU 87 -11.483 -2.779 2.171 93 H ALA 88 H ALA 88 -7.401 -2.747 0.786 94 HA ALA 88 HA ALA 88 -7.133 -2.607 3.723 95 1HB ALA 88 1HB ALA 88 -5.391 -3.756 1.521 96 2HB ALA 88 2HB ALA 88 -4.925 -3.760 3.222 97 3HB ALA 88 3HB ALA 88 -6.354 -4.651 2.697 98 H PHE 89 H PHE 89 -7.281 -0.121 3.201 99 HA PHE 89 HA PHE 89 -4.900 1.171 3.867 100 1HB PHE 89 1HB PHE 89 -4.776 0.259 1.192 101 2HB PHE 89 2HB PHE 89 -5.069 1.991 1.095 102 HD1 PHE 89 HD1 PHE 89 -3.288 0.297 3.872 103 HD2 PHE 89 HD2 PHE 89 -2.892 2.693 0.333 104 HE1 PHE 89 HE1 PHE 89 -0.927 0.731 4.425 105 HE2 PHE 89 HE2 PHE 89 -0.515 3.112 0.882 106 HZ PHE 89 HZ PHE 89 0.471 2.129 2.933 107 H ARG 90 H ARG 90 -8.043 1.198 2.422 108 HA ARG 90 HA ARG 90 -8.365 4.011 2.159 109 1HB ARG 90 1HB ARG 90 -10.727 3.547 2.006 110 2HB ARG 90 2HB ARG 90 -9.886 2.238 1.177 111 1HG ARG 90 1HG ARG 90 -10.036 0.861 3.235 112 2HG ARG 90 2HG ARG 90 -10.937 2.160 4.019 113 1HD ARG 90 1HD ARG 90 -11.829 0.204 1.985 114 2HD ARG 90 2HD ARG 90 -12.759 1.034 3.230 115 HE ARG 90 HE ARG 90 -11.971 2.343 0.654 116 1HH1 ARG 90 1HH1 ARG 90 -14.585 0.978 2.179 117 2HH1 ARG 90 2HH1 ARG 90 -15.611 2.370 2.091 118 1HH2 ARG 90 1HH2 ARG 90 -13.088 4.489 1.010 119 2HH2 ARG 90 2HH2 ARG 90 -14.763 4.358 1.429 120 H VAL 91 H VAL 91 -8.006 1.960 4.810 121 HA VAL 91 HA VAL 91 -9.643 3.129 6.764 122 HB VAL 91 HB VAL 91 -6.831 2.038 7.053 123 1HG1 VAL 91 1HG1 VAL 91 -8.925 2.912 9.000 124 2HG1 VAL 91 2HG1 VAL 91 -7.950 1.499 9.405 125 3HG1 VAL 91 3HG1 VAL 91 -7.169 3.052 9.102 126 1HG2 VAL 91 1HG2 VAL 91 -8.980 0.702 6.097 127 2HG2 VAL 91 2HG2 VAL 91 -7.742 -0.067 7.093 128 3HG2 VAL 91 3HG2 VAL 91 -9.247 0.487 7.828 129 H PHE 92 H PHE 92 -6.638 4.207 5.312 130 HA PHE 92 HA PHE 92 -6.646 6.599 7.097 131 1HB PHE 92 1HB PHE 92 -4.469 5.527 5.275 132 2HB PHE 92 2HB PHE 92 -4.316 6.887 6.389 133 HD1 PHE 92 HD1 PHE 92 -4.336 6.539 8.823 134 HD2 PHE 92 HD2 PHE 92 -4.547 3.231 6.094 135 HE1 PHE 92 HE1 PHE 92 -3.786 4.978 10.673 136 HE2 PHE 92 HE2 PHE 92 -3.998 1.672 7.948 137 HZ PHE 92 HZ PHE 92 -3.619 2.541 10.230 138 H ASP 93 H ASP 93 -6.064 5.704 3.679 139 HA ASP 93 HA ASP 93 -6.767 8.433 2.824 140 1HB ASP 93 1HB ASP 93 -4.952 7.531 1.587 141 2HB ASP 93 2HB ASP 93 -5.731 5.962 1.423 142 H LYS 94 H LYS 94 -8.927 7.472 4.065 143 HA LYS 94 HA LYS 94 -10.747 5.779 2.833 144 1HB LYS 94 1HB LYS 94 -11.489 8.506 3.933 145 2HB LYS 94 2HB LYS 94 -12.521 7.079 3.846 146 1HG LYS 94 1HG LYS 94 -11.685 6.251 5.771 147 2HG LYS 94 2HG LYS 94 -10.024 6.515 5.238 148 1HD LYS 94 1HD LYS 94 -10.156 8.871 5.890 149 2HD LYS 94 2HD LYS 94 -11.845 8.667 6.355 150 1HE LYS 94 1HE LYS 94 -11.229 7.103 8.110 151 2HE LYS 94 2HE LYS 94 -9.543 7.133 7.593 152 1HZ LYS 94 1HZ LYS 94 -10.889 9.648 8.305 153 2HZ LYS 94 2HZ LYS 94 -10.320 8.628 9.540 154 3HZ LYS 94 3HZ LYS 94 -9.241 9.251 8.385 155 H ASP 95 H ASP 95 -10.149 9.196 2.031 156 HA ASP 95 HA ASP 95 -10.465 8.896 -0.760 157 1HB ASP 95 1HB ASP 95 -12.712 9.726 -1.161 158 2HB ASP 95 2HB ASP 95 -12.830 8.320 -0.104 159 H GLY 96 H GLY 96 -8.795 10.368 0.989 160 1HA GLY 96 1HA GLY 96 -9.241 13.068 -0.091 161 2HA GLY 96 2HA GLY 96 -9.272 12.950 1.666 162 H ASN 97 H ASN 97 -7.203 10.875 1.840 163 HA ASN 97 HA ASN 97 -4.895 12.668 1.615 164 1HB ASN 97 1HB ASN 97 -5.581 10.387 3.165 165 2HB ASN 97 2HB ASN 97 -4.136 9.969 2.242 166 1HD2 ASN 97 1HD2 ASN 97 -3.688 13.418 4.419 167 2HD2 ASN 97 2HD2 ASN 97 -5.029 13.241 3.395 168 H GLY 98 H GLY 98 -5.182 9.269 0.599 169 1HA GLY 98 1HA GLY 98 -4.932 8.588 -1.759 170 2HA GLY 98 2HA GLY 98 -3.938 10.027 -2.009 171 H TYR 99 H TYR 99 -2.337 9.869 0.282 172 HA TYR 99 HA TYR 99 -0.885 7.294 -0.094 173 1HB TYR 99 1HB TYR 99 1.197 8.402 -0.176 174 2HB TYR 99 2HB TYR 99 0.158 9.424 -1.167 175 HD1 TYR 99 HD1 TYR 99 -0.997 11.430 -0.028 176 HD2 TYR 99 HD2 TYR 99 2.279 9.275 1.726 177 HE1 TYR 99 HE1 TYR 99 -0.547 13.345 1.483 178 HE2 TYR 99 HE2 TYR 99 2.728 11.189 3.238 179 HH TYR 99 HH TYR 99 1.657 13.103 4.145 180 H ILE 100 H ILE 100 0.722 7.010 1.846 181 HA ILE 100 HA ILE 100 -0.226 8.284 4.303 182 HB ILE 100 HB ILE 100 -0.436 5.785 5.230 183 1HG1 ILE 100 1HG1 ILE 100 -1.380 5.601 2.351 184 2HG1 ILE 100 2HG1 ILE 100 -0.053 4.680 3.066 185 1HG2 ILE 100 1HG2 ILE 100 -2.117 7.914 4.731 186 2HG2 ILE 100 2HG2 ILE 100 -2.901 6.590 3.868 187 3HG2 ILE 100 3HG2 ILE 100 -2.568 6.444 5.593 188 1HD1 ILE 100 1HD1 ILE 100 -2.677 4.576 4.463 189 2HD1 ILE 100 2HD1 ILE 100 -2.542 3.711 2.940 190 3HD1 ILE 100 3HD1 ILE 100 -1.454 3.325 4.270 191 H SER 101 H SER 101 1.068 7.516 6.202 192 HA SER 101 HA SER 101 3.869 7.577 5.558 193 1HB SER 101 1HB SER 101 2.928 8.524 7.636 194 2HB SER 101 2HB SER 101 2.474 6.903 8.160 195 HG SER 101 HG SER 101 4.765 8.117 8.534 196 H ALA 102 H ALA 102 5.440 5.926 6.419 197 HA ALA 102 HA ALA 102 4.868 3.312 5.359 198 1HB ALA 102 1HB ALA 102 7.106 4.606 6.830 199 2HB ALA 102 2HB ALA 102 6.991 2.853 6.987 200 3HB ALA 102 3HB ALA 102 7.149 3.587 5.392 201 H ALA 103 H ALA 103 4.319 4.847 8.402 202 HA ALA 103 HA ALA 103 4.104 2.450 10.009 203 1HB ALA 103 1HB ALA 103 4.213 5.038 10.675 204 2HB ALA 103 2HB ALA 103 2.457 4.876 10.618 205 3HB ALA 103 3HB ALA 103 3.401 3.863 11.710 206 H GLU 104 H GLU 104 1.981 4.264 7.883 207 HA GLU 104 HA GLU 104 -0.480 2.986 8.644 208 1HB GLU 104 1HB GLU 104 0.484 4.693 6.425 209 2HB GLU 104 2HB GLU 104 -0.851 3.608 6.004 210 1HG GLU 104 1HG GLU 104 -2.188 5.193 6.914 211 2HG GLU 104 2HG GLU 104 -1.628 4.579 8.469 212 H LEU 105 H LEU 105 1.906 2.300 6.068 213 HA LEU 105 HA LEU 105 0.584 0.006 4.995 214 1HB LEU 105 1HB LEU 105 2.918 1.402 4.454 215 2HB LEU 105 2HB LEU 105 3.490 -0.188 4.975 216 HG LEU 105 HG LEU 105 1.154 -0.399 3.255 217 1HD1 LEU 105 1HD1 LEU 105 3.347 1.408 2.453 218 2HD1 LEU 105 2HD1 LEU 105 2.933 0.172 1.267 219 3HD1 LEU 105 3HD1 LEU 105 1.696 1.295 1.836 220 1HD2 LEU 105 1HD2 LEU 105 3.783 -1.626 3.734 221 2HD2 LEU 105 2HD2 LEU 105 2.284 -2.379 3.208 222 3HD2 LEU 105 3HD2 LEU 105 3.338 -1.607 2.029 223 H ARG 106 H ARG 106 3.258 0.175 7.374 224 HA ARG 106 HA ARG 106 3.409 -2.560 7.978 225 1HB ARG 106 1HB ARG 106 5.010 -1.097 8.986 226 2HB ARG 106 2HB ARG 106 3.747 -0.121 9.737 227 1HG ARG 106 1HG ARG 106 3.778 -3.019 10.419 228 2HG ARG 106 2HG ARG 106 5.078 -2.033 11.082 229 1HD ARG 106 1HD ARG 106 3.310 -0.417 11.905 230 2HD ARG 106 2HD ARG 106 2.099 -1.610 11.438 231 HE ARG 106 HE ARG 106 4.246 -2.485 13.291 232 1HH1 ARG 106 1HH1 ARG 106 1.555 -0.616 13.670 233 2HH1 ARG 106 2HH1 ARG 106 0.681 -1.716 14.681 234 1HH2 ARG 106 1HH2 ARG 106 2.878 -4.350 14.166 235 2HH2 ARG 106 2HH2 ARG 106 1.430 -3.831 14.962 236 H HIS 107 H HIS 107 0.840 -0.332 8.637 237 HA HIS 107 HA HIS 107 -0.341 -2.163 10.653 238 1HB HIS 107 1HB HIS 107 -0.239 0.255 11.170 239 2HB HIS 107 2HB HIS 107 -1.232 0.589 9.749 240 HD1 HIS 107 HD1 HIS 107 -1.555 0.067 13.272 241 HD2 HIS 107 HD2 HIS 107 -3.818 -1.042 9.954 242 HE1 HIS 107 HE1 HIS 107 -3.868 -0.496 14.138 243 H VAL 108 H VAL 108 -0.798 -1.184 7.314 244 HA VAL 108 HA VAL 108 -3.499 -2.436 7.329 245 HB VAL 108 HB VAL 108 -2.303 -1.149 4.898 246 1HG1 VAL 108 1HG1 VAL 108 -5.032 -1.620 6.088 247 2HG1 VAL 108 2HG1 VAL 108 -4.798 -0.406 4.834 248 3HG1 VAL 108 3HG1 VAL 108 -4.422 -2.096 4.504 249 1HG2 VAL 108 1HG2 VAL 108 -2.718 0.148 7.468 250 2HG2 VAL 108 2HG2 VAL 108 -2.042 0.816 5.982 251 3HG2 VAL 108 3HG2 VAL 108 -3.787 0.825 6.238 252 H MET 109 H MET 109 -0.428 -2.626 5.484 253 HA MET 109 HA MET 109 -1.307 -4.932 4.002 254 1HB MET 109 1HB MET 109 0.832 -3.189 3.858 255 2HB MET 109 2HB MET 109 1.583 -4.717 4.321 256 1HG MET 109 1HG MET 109 -0.292 -5.454 2.398 257 2HG MET 109 2HG MET 109 0.374 -3.946 1.775 258 1HE MET 109 1HE MET 109 3.087 -4.077 3.407 259 2HE MET 109 2HE MET 109 4.237 -4.730 2.243 260 3HE MET 109 3HE MET 109 3.072 -3.496 1.744 261 H THR 110 H THR 110 -0.727 -4.671 7.237 262 HA THR 110 HA THR 110 0.571 -7.320 7.469 263 HB THR 110 HB THR 110 1.455 -5.445 8.844 264 HG1 THR 110 HG1 THR 110 0.835 -6.694 10.942 265 1HG2 THR 110 1HG2 THR 110 -0.873 -4.422 9.076 266 2HG2 THR 110 2HG2 THR 110 -1.157 -5.616 10.341 267 3HG2 THR 110 3HG2 THR 110 0.127 -4.422 10.530 268 H ASN 111 H ASN 111 -2.520 -5.932 7.474 269 HA ASN 111 HA ASN 111 -3.597 -8.278 8.987 270 1HB ASN 111 1HB ASN 111 -5.679 -6.404 8.660 271 2HB ASN 111 2HB ASN 111 -4.840 -6.806 10.154 272 1HD2 ASN 111 1HD2 ASN 111 -4.513 -3.099 8.971 273 2HD2 ASN 111 2HD2 ASN 111 -5.832 -4.145 8.742 274 H LEU 112 H LEU 112 -4.032 -6.186 6.163 275 HA LEU 112 HA LEU 112 -6.236 -7.451 4.987 276 1HB LEU 112 1HB LEU 112 -5.420 -6.615 2.831 277 2HB LEU 112 2HB LEU 112 -5.293 -5.399 4.088 278 HG LEU 112 HG LEU 112 -3.178 -5.089 3.349 279 1HD1 LEU 112 1HD1 LEU 112 -2.806 -7.820 4.636 280 2HD1 LEU 112 2HD1 LEU 112 -1.477 -6.865 4.025 281 3HD1 LEU 112 3HD1 LEU 112 -2.461 -6.251 5.324 282 1HD2 LEU 112 1HD2 LEU 112 -3.592 -7.738 1.948 283 2HD2 LEU 112 2HD2 LEU 112 -3.599 -6.121 1.256 284 3HD2 LEU 112 3HD2 LEU 112 -2.090 -6.824 1.825 285 H GLY 113 H GLY 113 -5.324 -8.432 2.454 286 1HA GLY 113 1HA GLY 113 -4.880 -11.195 3.196 287 2HA GLY 113 2HA GLY 113 -4.979 -10.577 1.553 288 H GLU 114 H GLU 114 -2.638 -8.751 3.110 289 HA GLU 114 HA GLU 114 -0.530 -10.425 1.841 290 1HB GLU 114 1HB GLU 114 -0.674 -7.557 2.675 291 2HB GLU 114 2HB GLU 114 0.905 -8.327 2.582 292 1HG GLU 114 1HG GLU 114 -1.121 -8.414 0.330 293 2HG GLU 114 2HG GLU 114 0.144 -7.189 0.451 294 H LYS 115 H LYS 115 -1.264 -8.948 5.024 295 HA LYS 115 HA LYS 115 -0.415 -9.567 7.139 296 1HB LYS 115 1HB LYS 115 0.874 -11.952 5.785 297 2HB LYS 115 2HB LYS 115 0.349 -11.805 7.464 298 1HG LYS 115 1HG LYS 115 -2.018 -11.572 6.613 299 2HG LYS 115 2HG LYS 115 -1.414 -11.976 5.006 300 1HD LYS 115 1HD LYS 115 -1.322 -14.173 5.507 301 2HD LYS 115 2HD LYS 115 -0.447 -13.857 7.006 302 1HE LYS 115 1HE LYS 115 -2.455 -14.779 7.789 303 2HE LYS 115 2HE LYS 115 -2.770 -13.048 7.893 304 1HZ LYS 115 1HZ LYS 115 -3.412 -14.487 5.413 305 2HZ LYS 115 2HZ LYS 115 -4.468 -14.605 6.735 306 3HZ LYS 115 3HZ LYS 115 -4.121 -13.085 6.059 307 H LEU 116 H LEU 116 1.502 -8.773 8.082 308 HA LEU 116 HA LEU 116 4.096 -9.082 6.919 309 1HB LEU 116 1HB LEU 116 2.555 -7.434 5.391 310 2HB LEU 116 2HB LEU 116 3.250 -6.267 6.513 311 HG LEU 116 HG LEU 116 5.503 -6.981 5.929 312 1HD1 LEU 116 1HD1 LEU 116 4.012 -9.038 4.267 313 2HD1 LEU 116 2HD1 LEU 116 5.696 -8.623 3.952 314 3HD1 LEU 116 3HD1 LEU 116 5.241 -9.337 5.495 315 1HD2 LEU 116 1HD2 LEU 116 4.364 -5.290 4.499 316 2HD2 LEU 116 2HD2 LEU 116 5.535 -6.246 3.589 317 3HD2 LEU 116 3HD2 LEU 116 3.809 -6.589 3.441 318 H THR 117 H THR 117 5.056 -9.100 8.914 319 HA THR 117 HA THR 117 4.246 -7.658 11.204 320 HB THR 117 HB THR 117 6.391 -8.191 12.131 321 HG1 THR 117 HG1 THR 117 7.913 -9.037 10.289 322 1HG2 THR 117 1HG2 THR 117 4.862 -10.082 10.746 323 2HG2 THR 117 2HG2 THR 117 6.532 -10.442 10.306 324 3HG2 THR 117 3HG2 THR 117 6.055 -10.411 12.004 325 H ASP 118 H ASP 118 6.248 -5.990 12.076 326 HA ASP 118 HA ASP 118 5.813 -3.646 10.391 327 1HB ASP 118 1HB ASP 118 5.893 -3.534 12.893 328 2HB ASP 118 2HB ASP 118 7.602 -3.955 12.829 329 H GLU 119 H GLU 119 8.308 -6.040 10.782 330 HA GLU 119 HA GLU 119 10.392 -4.420 9.534 331 1HB GLU 119 1HB GLU 119 10.204 -7.380 10.160 332 2HB GLU 119 2HB GLU 119 11.628 -6.622 9.447 333 1HG GLU 119 1HG GLU 119 11.458 -4.965 11.456 334 2HG GLU 119 2HG GLU 119 10.455 -6.218 12.189 335 H GLU 120 H GLU 120 8.836 -7.460 8.445 336 HA GLU 120 HA GLU 120 9.734 -7.323 5.791 337 1HB GLU 120 1HB GLU 120 7.577 -8.664 5.285 338 2HB GLU 120 2HB GLU 120 8.745 -9.363 6.403 339 1HG GLU 120 1HG GLU 120 7.137 -7.838 8.068 340 2HG GLU 120 2HG GLU 120 5.996 -8.477 6.897 341 H VAL 121 H VAL 121 7.273 -5.409 7.327 342 HA VAL 121 HA VAL 121 6.142 -4.624 4.723 343 HB VAL 121 HB VAL 121 4.559 -4.839 6.570 344 1HG1 VAL 121 1HG1 VAL 121 6.420 -4.121 8.257 345 2HG1 VAL 121 2HG1 VAL 121 5.838 -2.490 7.931 346 3HG1 VAL 121 3HG1 VAL 121 4.745 -3.702 8.597 347 1HG2 VAL 121 1HG2 VAL 121 4.800 -2.674 4.858 348 2HG2 VAL 121 2HG2 VAL 121 3.363 -3.104 5.786 349 3HG2 VAL 121 3HG2 VAL 121 4.512 -1.929 6.430 350 H ASP 122 H ASP 122 7.811 -2.969 7.431 351 HA ASP 122 HA ASP 122 7.992 -0.441 6.128 352 1HB ASP 122 1HB ASP 122 9.182 -1.720 8.485 353 2HB ASP 122 2HB ASP 122 10.236 -0.529 7.728 354 H GLU 123 H GLU 123 10.365 -3.109 6.267 355 HA GLU 123 HA GLU 123 12.357 -1.804 4.689 356 1HB GLU 123 1HB GLU 123 12.042 -4.316 5.951 357 2HB GLU 123 2HB GLU 123 12.380 -4.653 4.254 358 1HG GLU 123 1HG GLU 123 14.522 -4.480 5.241 359 2HG GLU 123 2HG GLU 123 14.271 -2.906 4.484 360 H MET 124 H MET 124 9.377 -3.365 3.818 361 HA MET 124 HA MET 124 10.187 -3.691 1.003 362 1HB MET 124 1HB MET 124 8.355 -4.988 2.607 363 2HB MET 124 2HB MET 124 7.328 -3.935 1.634 364 1HG MET 124 1HG MET 124 7.503 -5.480 -0.003 365 2HG MET 124 2HG MET 124 9.172 -4.946 -0.195 366 1HE MET 124 1HE MET 124 10.800 -6.044 -0.259 367 2HE MET 124 2HE MET 124 11.384 -6.559 1.321 368 3HE MET 124 3HE MET 124 11.070 -7.761 0.071 369 H ILE 125 H ILE 125 8.905 -1.217 2.966 370 HA ILE 125 HA ILE 125 7.269 0.048 0.928 371 HB ILE 125 HB ILE 125 7.753 0.403 3.702 372 1HG1 ILE 125 1HG1 ILE 125 5.983 2.394 2.641 373 2HG1 ILE 125 2HG1 ILE 125 5.781 0.902 1.721 374 1HG2 ILE 125 1HG2 ILE 125 8.467 2.843 2.058 375 2HG2 ILE 125 2HG2 ILE 125 7.873 2.958 3.716 376 3HG2 ILE 125 3HG2 ILE 125 9.385 2.115 3.376 377 1HD1 ILE 125 1HD1 ILE 125 6.042 0.219 4.486 378 2HD1 ILE 125 2HD1 ILE 125 4.826 1.490 4.345 379 3HD1 ILE 125 3HD1 ILE 125 4.648 -0.007 3.432 380 H ARG 126 H ARG 126 10.629 0.420 2.034 381 HA ARG 126 HA ARG 126 11.382 2.741 0.691 382 1HB ARG 126 1HB ARG 126 13.594 1.449 0.236 383 2HB ARG 126 2HB ARG 126 13.097 1.670 1.913 384 1HG ARG 126 1HG ARG 126 12.375 -0.553 2.128 385 2HG ARG 126 2HG ARG 126 12.236 -0.775 0.384 386 1HD ARG 126 1HD ARG 126 14.231 -1.932 1.324 387 2HD ARG 126 2HD ARG 126 14.668 -0.694 0.147 388 HE ARG 126 HE ARG 126 14.650 0.203 2.948 389 1HH1 ARG 126 1HH1 ARG 126 16.252 0.826 0.229 390 2HH1 ARG 126 2HH1 ARG 126 17.854 0.529 0.814 391 1HH2 ARG 126 1HH2 ARG 126 16.789 -1.000 3.739 392 2HH2 ARG 126 2HH2 ARG 126 18.159 -0.505 2.801 393 H GLU 127 H GLU 127 10.406 -0.324 -0.628 394 HA GLU 127 HA GLU 127 11.416 0.138 -3.311 395 1HB GLU 127 1HB GLU 127 10.972 -2.136 -2.529 396 2HB GLU 127 2HB GLU 127 9.276 -1.733 -2.253 397 1HG GLU 127 1HG GLU 127 8.751 -1.917 -4.457 398 2HG GLU 127 2HG GLU 127 10.234 -1.114 -4.971 399 H ALA 128 H ALA 128 8.206 0.443 -1.745 400 HA ALA 128 HA ALA 128 7.185 1.771 -4.197 401 1HB ALA 128 1HB ALA 128 5.865 0.788 -1.658 402 2HB ALA 128 2HB ALA 128 5.005 1.746 -2.864 403 3HB ALA 128 3HB ALA 128 5.658 0.166 -3.295 404 H ASP 129 H ASP 129 6.665 2.470 -0.735 405 HA ASP 129 HA ASP 129 6.288 5.262 -1.121 406 1HB ASP 129 1HB ASP 129 5.498 4.480 0.935 407 2HB ASP 129 2HB ASP 129 6.944 3.521 1.238 408 H ILE 130 H ILE 130 7.825 6.532 -2.054 409 HA ILE 130 HA ILE 130 10.491 6.653 -0.793 410 HB ILE 130 HB ILE 130 11.609 6.547 -3.051 411 1HG1 ILE 130 1HG1 ILE 130 9.184 5.118 -4.074 412 2HG1 ILE 130 2HG1 ILE 130 9.194 6.882 -4.125 413 1HG2 ILE 130 1HG2 ILE 130 11.530 4.614 -1.460 414 2HG2 ILE 130 2HG2 ILE 130 10.075 4.048 -2.280 415 3HG2 ILE 130 3HG2 ILE 130 11.607 4.114 -3.150 416 1HD1 ILE 130 1HD1 ILE 130 11.627 6.487 -5.134 417 2HD1 ILE 130 2HD1 ILE 130 10.928 4.932 -5.589 418 3HD1 ILE 130 3HD1 ILE 130 10.194 6.430 -6.162 419 H ASP 131 H ASP 131 8.960 8.653 -0.328 420 HA ASP 131 HA ASP 131 8.731 10.971 -0.572 421 1HB ASP 131 1HB ASP 131 11.123 10.288 -2.164 422 2HB ASP 131 2HB ASP 131 10.322 11.783 -2.649 423 H GLY 132 H GLY 132 9.560 10.683 -3.954 424 1HA GLY 132 1HA GLY 132 8.244 11.340 -5.814 425 2HA GLY 132 2HA GLY 132 7.264 9.979 -5.268 426 H ASP 133 H ASP 133 5.212 10.428 -4.659 427 HA ASP 133 HA ASP 133 4.557 13.169 -3.696 428 1HB ASP 133 1HB ASP 133 2.391 12.893 -5.114 429 2HB ASP 133 2HB ASP 133 3.870 13.376 -5.945 430 H GLY 134 H GLY 134 4.506 11.981 -1.630 431 1HA GLY 134 1HA GLY 134 2.914 11.323 0.063 432 2HA GLY 134 2HA GLY 134 1.863 10.691 -1.211 433 H GLN 135 H GLN 135 4.523 9.997 0.895 434 HA GLN 135 HA GLN 135 6.031 7.979 0.334 435 1HB GLN 135 1HB GLN 135 3.868 7.800 2.432 436 2HB GLN 135 2HB GLN 135 5.130 6.578 2.283 437 1HG GLN 135 1HG GLN 135 6.846 8.380 2.488 438 2HG GLN 135 2HG GLN 135 5.548 9.545 2.753 439 1HE2 GLN 135 1HE2 GLN 135 5.536 8.843 6.195 440 2HE2 GLN 135 2HE2 GLN 135 5.390 9.990 4.953 441 H VAL 136 H VAL 136 3.169 6.249 1.326 442 HA VAL 136 HA VAL 136 3.294 4.765 -1.267 443 HB VAL 136 HB VAL 136 1.748 3.195 0.343 444 1HG1 VAL 136 1HG1 VAL 136 4.222 3.111 -0.900 445 2HG1 VAL 136 2HG1 VAL 136 4.603 2.738 0.782 446 3HG1 VAL 136 3HG1 VAL 136 3.430 1.757 -0.098 447 1HG2 VAL 136 1HG2 VAL 136 2.273 4.890 2.219 448 2HG2 VAL 136 2HG2 VAL 136 2.565 3.192 2.581 449 3HG2 VAL 136 3HG2 VAL 136 3.915 4.249 2.173 450 H ASN 137 H ASN 137 1.589 5.077 -2.634 451 HA ASN 137 HA ASN 137 -0.935 6.072 -1.389 452 1HB ASN 137 1HB ASN 137 -1.156 7.334 -3.659 453 2HB ASN 137 2HB ASN 137 -0.116 7.993 -2.395 454 1HD2 ASN 137 1HD2 ASN 137 1.862 5.951 -5.384 455 2HD2 ASN 137 2HD2 ASN 137 0.421 5.313 -4.757 456 H TYR 138 H TYR 138 -1.086 3.492 -1.684 457 HA TYR 138 HA TYR 138 -2.349 1.807 -2.718 458 1HB TYR 138 1HB TYR 138 -3.464 4.243 -4.131 459 2HB TYR 138 2HB TYR 138 -4.143 2.625 -4.276 460 HD1 TYR 138 HD1 TYR 138 -2.767 4.504 -1.309 461 HD2 TYR 138 HD2 TYR 138 -6.132 2.554 -3.120 462 HE1 TYR 138 HE1 TYR 138 -4.046 4.821 0.769 463 HE2 TYR 138 HE2 TYR 138 -7.435 2.892 -1.034 464 HH TYR 138 HH TYR 138 -7.139 4.811 1.025 465 H GLU 139 H GLU 139 -2.346 3.865 -5.575 466 HA GLU 139 HA GLU 139 -1.717 1.976 -7.444 467 1HB GLU 139 1HB GLU 139 -0.335 4.649 -7.620 468 2HB GLU 139 2HB GLU 139 -1.074 3.704 -8.913 469 1HG GLU 139 1HG GLU 139 -3.273 4.071 -7.485 470 2HG GLU 139 2HG GLU 139 -2.376 5.458 -6.864 471 H GLU 140 H GLU 140 0.475 3.513 -5.188 472 HA GLU 140 HA GLU 140 2.783 2.022 -6.324 473 1HB GLU 140 1HB GLU 140 2.481 4.355 -4.459 474 2HB GLU 140 2HB GLU 140 3.941 3.369 -4.365 475 1HG GLU 140 1HG GLU 140 3.125 4.114 -7.106 476 2HG GLU 140 2HG GLU 140 3.629 5.465 -6.089 477 H PHE 141 H PHE 141 0.624 2.219 -3.597 478 HA PHE 141 HA PHE 141 2.135 0.422 -1.871 479 1HB PHE 141 1HB PHE 141 0.626 1.978 -0.828 480 2HB PHE 141 2HB PHE 141 -0.717 1.442 -1.838 481 HD1 PHE 141 HD1 PHE 141 1.862 -0.598 -0.067 482 HD2 PHE 141 HD2 PHE 141 -2.272 0.525 -0.324 483 HE1 PHE 141 HE1 PHE 141 1.285 -2.313 1.619 484 HE2 PHE 141 HE2 PHE 141 -2.841 -1.185 1.376 485 HZ PHE 141 HZ PHE 141 -1.066 -2.601 2.348 486 H VAL 142 H VAL 142 0.606 -0.150 -4.732 487 HA VAL 142 HA VAL 142 -0.713 -2.672 -3.976 488 HB VAL 142 HB VAL 142 -1.779 -1.465 -5.754 489 1HG1 VAL 142 1HG1 VAL 142 0.953 -0.824 -6.445 490 2HG1 VAL 142 2HG1 VAL 142 0.105 -1.448 -7.859 491 3HG1 VAL 142 3HG1 VAL 142 -0.536 -0.053 -6.992 492 1HG2 VAL 142 1HG2 VAL 142 -1.127 -4.054 -5.998 493 2HG2 VAL 142 2HG2 VAL 142 -2.004 -3.196 -7.264 494 3HG2 VAL 142 3HG2 VAL 142 -0.263 -3.438 -7.406 495 H GLN 143 H GLN 143 2.333 -1.543 -5.267 496 HA GLN 143 HA GLN 143 3.302 -3.954 -6.419 497 1HB GLN 143 1HB GLN 143 4.340 -1.537 -6.323 498 2HB GLN 143 2HB GLN 143 5.115 -2.135 -4.855 499 1HG GLN 143 1HG GLN 143 6.525 -3.486 -6.010 500 2HG GLN 143 2HG GLN 143 5.260 -4.005 -7.124 501 1HE2 GLN 143 1HE2 GLN 143 6.601 -0.303 -8.178 502 2HE2 GLN 143 2HE2 GLN 143 5.889 -0.563 -6.660 503 H MET 144 H MET 144 2.843 -3.000 -3.103 504 HA MET 144 HA MET 144 4.544 -5.155 -2.046 505 1HB MET 144 1HB MET 144 2.516 -3.687 -0.386 506 2HB MET 144 2HB MET 144 4.108 -4.282 0.077 507 1HG MET 144 1HG MET 144 4.199 -2.266 -2.055 508 2HG MET 144 2HG MET 144 3.514 -1.664 -0.545 509 1HE MET 144 1HE MET 144 6.102 -2.858 -2.600 510 2HE MET 144 2HE MET 144 7.638 -2.508 -1.811 511 3HE MET 144 3HE MET 144 6.859 -4.066 -1.553 512 H MET 145 H MET 145 1.202 -4.532 -2.797 513 HA MET 145 HA MET 145 0.186 -6.859 -1.361 514 1HB MET 145 1HB MET 145 -1.255 -5.337 -3.533 515 2HB MET 145 2HB MET 145 -1.949 -6.201 -2.160 516 1HG MET 145 1HG MET 145 -0.050 -4.034 -1.456 517 2HG MET 145 2HG MET 145 -1.557 -3.503 -2.195 518 1HE MET 145 1HE MET 145 -3.586 -4.680 -1.818 519 2HE MET 145 2HE MET 145 -3.628 -6.119 -0.789 520 3HE MET 145 3HE MET 145 -4.328 -4.604 -0.222 521 H THR 146 H THR 146 1.607 -6.264 -4.435 522 HA THR 146 HA THR 146 0.861 -9.035 -5.256 523 HB THR 146 HB THR 146 -0.439 -7.602 -6.683 524 HG1 THR 146 HG1 THR 146 0.821 -9.272 -7.702 525 1HG2 THR 146 1HG2 THR 146 1.745 -5.805 -6.262 526 2HG2 THR 146 2HG2 THR 146 1.539 -6.028 -7.999 527 3HG2 THR 146 3HG2 THR 146 0.186 -5.472 -7.015 528 H ALA 147 H ALA 147 3.262 -7.673 -3.963 529 HA ALA 147 HA ALA 147 5.407 -7.640 -5.873 530 1HB ALA 147 1HB ALA 147 5.132 -7.047 -3.171 531 2HB ALA 147 2HB ALA 147 6.188 -8.460 -3.175 532 3HB ALA 147 3HB ALA 147 6.642 -7.017 -4.082 533 H LYS 148 H LYS 148 7.341 -9.364 -4.849 534 HA LYS 148 HA LYS 148 8.096 -11.555 -5.263 535 1HB LYS 148 1HB LYS 148 5.669 -11.753 -3.550 536 2HB LYS 148 2HB LYS 148 6.242 -13.251 -4.286 537 1HG LYS 148 1HG LYS 148 8.110 -11.378 -2.827 538 2HG LYS 148 2HG LYS 148 7.223 -12.651 -1.987 539 1HD LYS 148 1HD LYS 148 8.876 -14.064 -2.580 540 2HD LYS 148 2HD LYS 148 8.306 -13.912 -4.243 541 1HE LYS 148 1HE LYS 148 10.343 -13.045 -4.705 542 2HE LYS 148 2HE LYS 148 9.784 -11.595 -3.872 543 1HZ LYS 148 1HZ LYS 148 10.919 -13.843 -2.344 544 2HZ LYS 148 2HZ LYS 148 11.946 -12.720 -3.099 545 3HZ LYS 148 3HZ LYS 148 10.837 -12.198 -1.927 No H/Q in entry = 545 Start of MODEL 13 Raw file had 555 H/Q atoms Start of MODEL 13 1 1H MET 76 1H MET 76 -10.430 -7.664 -15.870 2 2H MET 76 2H MET 76 -12.069 -7.792 -16.298 3 3H MET 76 3H MET 76 -10.965 -7.090 -17.377 4 HA MET 76 HA MET 76 -12.200 -5.337 -16.373 5 1HB MET 76 1HB MET 76 -12.018 -5.090 -13.845 6 2HB MET 76 2HB MET 76 -13.030 -6.424 -14.401 7 1HG MET 76 1HG MET 76 -10.114 -6.916 -13.898 8 2HG MET 76 2HG MET 76 -11.222 -6.842 -12.528 9 1HE MET 76 1HE MET 76 -13.401 -7.778 -12.556 10 2HE MET 76 2HE MET 76 -14.039 -8.293 -14.116 11 3HE MET 76 3HE MET 76 -13.686 -9.489 -12.861 12 H LYS 77 H LYS 77 -11.138 -3.337 -15.852 13 HA LYS 77 HA LYS 77 -8.194 -3.542 -15.408 14 1HB LYS 77 1HB LYS 77 -9.417 -1.571 -17.346 15 2HB LYS 77 2HB LYS 77 -7.718 -2.013 -17.167 16 1HG LYS 77 1HG LYS 77 -8.665 -4.443 -17.719 17 2HG LYS 77 2HG LYS 77 -9.933 -3.505 -18.508 18 1HD LYS 77 1HD LYS 77 -8.109 -2.215 -19.697 19 2HD LYS 77 2HD LYS 77 -6.956 -3.386 -19.052 20 1HE LYS 77 1HE LYS 77 -9.285 -3.939 -20.906 21 2HE LYS 77 2HE LYS 77 -7.569 -4.135 -21.259 22 1HZ LYS 77 1HZ LYS 77 -7.662 -5.702 -19.209 23 2HZ LYS 77 2HZ LYS 77 -9.318 -5.779 -19.567 24 3HZ LYS 77 3HZ LYS 77 -8.176 -6.262 -20.729 25 H ASP 78 H ASP 78 -10.993 -2.460 -14.178 26 HA ASP 78 HA ASP 78 -9.850 0.137 -13.242 27 1HB ASP 78 1HB ASP 78 -12.205 0.623 -12.515 28 2HB ASP 78 2HB ASP 78 -12.048 0.386 -14.256 29 H THR 79 H THR 79 -11.570 -2.770 -12.088 30 HA THR 79 HA THR 79 -10.287 -2.315 -9.423 31 HB THR 79 HB THR 79 -12.797 -1.947 -9.469 32 HG1 THR 79 HG1 THR 79 -12.722 -2.631 -7.499 33 1HG2 THR 79 1HG2 THR 79 -12.941 -4.011 -11.137 34 2HG2 THR 79 2HG2 THR 79 -13.109 -4.915 -9.632 35 3HG2 THR 79 3HG2 THR 79 -14.264 -3.642 -10.030 36 H ASP 80 H ASP 80 -8.822 -3.737 -11.142 37 HA ASP 80 HA ASP 80 -9.451 -6.517 -11.389 38 1HB ASP 80 1HB ASP 80 -7.641 -5.159 -12.622 39 2HB ASP 80 2HB ASP 80 -6.643 -5.427 -11.193 40 H SER 81 H SER 81 -6.805 -5.236 -9.343 41 HA SER 81 HA SER 81 -7.690 -7.173 -7.243 42 1HB SER 81 1HB SER 81 -5.671 -7.990 -8.432 43 2HB SER 81 2HB SER 81 -4.834 -6.498 -8.010 44 HG SER 81 HG SER 81 -4.518 -8.363 -6.572 45 H GLU 82 H GLU 82 -6.855 -3.945 -8.004 46 HA GLU 82 HA GLU 82 -5.904 -3.189 -5.360 47 1HB GLU 82 1HB GLU 82 -7.181 -1.160 -7.138 48 2HB GLU 82 2HB GLU 82 -5.685 -1.060 -6.211 49 1HG GLU 82 1HG GLU 82 -5.054 -3.039 -7.980 50 2HG GLU 82 2HG GLU 82 -6.131 -2.046 -8.963 51 H GLU 83 H GLU 83 -8.870 -4.242 -6.364 52 HA GLU 83 HA GLU 83 -10.596 -2.339 -5.044 53 1HB GLU 83 1HB GLU 83 -12.263 -3.608 -5.907 54 2HB GLU 83 2HB GLU 83 -10.985 -4.480 -6.744 55 1HG GLU 83 1HG GLU 83 -10.849 -6.082 -4.874 56 2HG GLU 83 2HG GLU 83 -12.124 -5.203 -4.033 57 H GLU 84 H GLU 84 -8.562 -4.894 -3.956 58 HA GLU 84 HA GLU 84 -9.934 -4.984 -1.317 59 1HB GLU 84 1HB GLU 84 -8.909 -7.021 -2.781 60 2HB GLU 84 2HB GLU 84 -7.498 -6.613 -1.803 61 1HG GLU 84 1HG GLU 84 -8.406 -7.626 -0.015 62 2HG GLU 84 2HG GLU 84 -9.831 -6.592 -0.126 63 H ILE 85 H ILE 85 -6.795 -4.231 -2.811 64 HA ILE 85 HA ILE 85 -5.456 -3.570 -0.360 65 HB ILE 85 HB ILE 85 -4.986 -2.729 -3.226 66 1HG1 ILE 85 1HG1 ILE 85 -2.868 -4.220 -2.540 67 2HG1 ILE 85 2HG1 ILE 85 -4.023 -4.877 -1.383 68 1HG2 ILE 85 1HG2 ILE 85 -3.945 -1.585 -0.787 69 2HG2 ILE 85 2HG2 ILE 85 -2.645 -2.372 -1.683 70 3HG2 ILE 85 3HG2 ILE 85 -3.615 -1.117 -2.455 71 1HD1 ILE 85 1HD1 ILE 85 -4.777 -4.576 -4.282 72 2HD1 ILE 85 2HD1 ILE 85 -3.871 -5.986 -3.732 73 3HD1 ILE 85 3HD1 ILE 85 -5.468 -5.650 -3.066 74 H ARG 86 H ARG 86 -7.017 -1.475 -2.819 75 HA ARG 86 HA ARG 86 -6.623 0.979 -1.543 76 1HB ARG 86 1HB ARG 86 -7.969 1.738 -3.199 77 2HB ARG 86 2HB ARG 86 -8.136 0.068 -3.707 78 1HG ARG 86 1HG ARG 86 -10.337 0.946 -3.483 79 2HG ARG 86 2HG ARG 86 -10.086 -0.118 -2.103 80 1HD ARG 86 1HD ARG 86 -10.200 1.603 -0.607 81 2HD ARG 86 2HD ARG 86 -9.293 2.695 -1.648 82 HE ARG 86 HE ARG 86 -12.200 2.431 -1.567 83 1HH1 ARG 86 1HH1 ARG 86 -12.177 2.161 -4.327 84 2HH1 ARG 86 2HH1 ARG 86 -11.827 3.729 -4.973 85 1HH2 ARG 86 1HH2 ARG 86 -10.558 4.966 -1.992 86 2HH2 ARG 86 2HH2 ARG 86 -10.911 5.317 -3.651 87 H GLU 87 H GLU 87 -8.792 -1.646 -0.691 88 HA GLU 87 HA GLU 87 -10.342 -0.162 1.249 89 1HB GLU 87 1HB GLU 87 -11.240 -2.265 0.493 90 2HB GLU 87 2HB GLU 87 -9.754 -3.117 0.911 91 1HG GLU 87 1HG GLU 87 -10.142 -2.864 3.247 92 2HG GLU 87 2HG GLU 87 -11.408 -1.666 2.980 93 H ALA 88 H ALA 88 -7.461 -2.237 1.418 94 HA ALA 88 HA ALA 88 -6.994 -1.534 4.250 95 1HB ALA 88 1HB ALA 88 -6.102 -3.569 2.424 96 2HB ALA 88 2HB ALA 88 -4.705 -2.743 3.104 97 3HB ALA 88 3HB ALA 88 -5.888 -3.495 4.173 98 H PHE 89 H PHE 89 -7.023 0.784 3.320 99 HA PHE 89 HA PHE 89 -4.523 1.971 3.532 100 1HB PHE 89 1HB PHE 89 -4.749 0.606 1.054 101 2HB PHE 89 2HB PHE 89 -4.902 2.321 0.688 102 HD1 PHE 89 HD1 PHE 89 -3.029 0.706 3.454 103 HD2 PHE 89 HD2 PHE 89 -2.766 2.896 -0.203 104 HE1 PHE 89 HE1 PHE 89 -0.611 1.036 3.817 105 HE2 PHE 89 HE2 PHE 89 -0.354 3.233 0.149 106 HZ PHE 89 HZ PHE 89 0.741 2.290 2.165 107 H ARG 90 H ARG 90 -7.751 1.912 2.233 108 HA ARG 90 HA ARG 90 -7.983 4.734 1.723 109 1HB ARG 90 1HB ARG 90 -10.329 4.297 1.448 110 2HB ARG 90 2HB ARG 90 -9.489 2.899 0.780 111 1HG ARG 90 1HG ARG 90 -9.822 1.673 2.884 112 2HG ARG 90 2HG ARG 90 -10.630 3.075 3.585 113 1HD ARG 90 1HD ARG 90 -11.681 1.041 1.748 114 2HD ARG 90 2HD ARG 90 -12.546 2.137 2.820 115 HE ARG 90 HE ARG 90 -11.557 2.942 0.113 116 1HH1 ARG 90 1HH1 ARG 90 -12.722 4.597 2.621 117 2HH1 ARG 90 2HH1 ARG 90 -14.244 5.048 1.928 118 1HH2 ARG 90 1HH2 ARG 90 -13.979 2.855 -0.744 119 2HH2 ARG 90 2HH2 ARG 90 -14.956 4.062 0.023 120 H VAL 91 H VAL 91 -8.263 2.599 4.411 121 HA VAL 91 HA VAL 91 -9.794 4.046 6.235 122 HB VAL 91 HB VAL 91 -7.299 2.383 6.640 123 1HG1 VAL 91 1HG1 VAL 91 -9.121 3.690 8.672 124 2HG1 VAL 91 2HG1 VAL 91 -8.082 2.319 9.061 125 3HG1 VAL 91 3HG1 VAL 91 -7.369 3.845 8.537 126 1HG2 VAL 91 1HG2 VAL 91 -9.696 1.546 5.843 127 2HG2 VAL 91 2HG2 VAL 91 -8.755 0.617 7.010 128 3HG2 VAL 91 3HG2 VAL 91 -10.057 1.669 7.566 129 H PHE 92 H PHE 92 -6.614 4.673 4.992 130 HA PHE 92 HA PHE 92 -6.295 6.970 6.865 131 1HB PHE 92 1HB PHE 92 -4.261 5.708 4.990 132 2HB PHE 92 2HB PHE 92 -3.949 6.918 6.236 133 HD1 PHE 92 HD1 PHE 92 -4.462 6.317 8.677 134 HD2 PHE 92 HD2 PHE 92 -4.307 3.408 5.522 135 HE1 PHE 92 HE1 PHE 92 -4.202 4.509 10.356 136 HE2 PHE 92 HE2 PHE 92 -4.050 1.604 7.200 137 HZ PHE 92 HZ PHE 92 -3.997 2.148 9.615 138 H ASP 93 H ASP 93 -6.452 6.013 3.495 139 HA ASP 93 HA ASP 93 -6.175 8.779 2.531 140 1HB ASP 93 1HB ASP 93 -5.179 7.058 1.145 141 2HB ASP 93 2HB ASP 93 -6.676 6.126 1.143 142 H LYS 94 H LYS 94 -8.272 8.642 4.278 143 HA LYS 94 HA LYS 94 -10.799 8.052 2.952 144 1HB LYS 94 1HB LYS 94 -10.265 9.690 5.449 145 2HB LYS 94 2HB LYS 94 -11.818 9.013 4.956 146 1HG LYS 94 1HG LYS 94 -9.479 7.162 5.229 147 2HG LYS 94 2HG LYS 94 -10.283 7.726 6.694 148 1HD LYS 94 1HD LYS 94 -11.730 6.457 4.353 149 2HD LYS 94 2HD LYS 94 -11.234 5.580 5.801 150 1HE LYS 94 1HE LYS 94 -12.558 7.221 7.168 151 2HE LYS 94 2HE LYS 94 -13.159 7.917 5.663 152 1HZ LYS 94 1HZ LYS 94 -13.383 5.021 6.095 153 2HZ LYS 94 2HZ LYS 94 -14.487 6.053 6.864 154 3HZ LYS 94 3HZ LYS 94 -14.365 6.052 5.169 155 H ASP 95 H ASP 95 -8.955 10.988 3.702 156 HA ASP 95 HA ASP 95 -10.977 12.766 2.625 157 1HB ASP 95 1HB ASP 95 -9.436 14.509 3.093 158 2HB ASP 95 2HB ASP 95 -9.153 13.309 4.355 159 H GLY 96 H GLY 96 -8.503 10.804 1.302 160 1HA GLY 96 1HA GLY 96 -8.539 10.379 -1.106 161 2HA GLY 96 2HA GLY 96 -8.984 12.067 -1.351 162 H ASN 97 H ASN 97 -6.416 10.838 0.779 163 HA ASN 97 HA ASN 97 -4.522 12.654 -0.566 164 1HB ASN 97 1HB ASN 97 -2.926 11.618 1.203 165 2HB ASN 97 2HB ASN 97 -4.228 12.660 1.776 166 1HD2 ASN 97 1HD2 ASN 97 -4.310 8.663 2.637 167 2HD2 ASN 97 2HD2 ASN 97 -3.186 9.270 1.519 168 H GLY 98 H GLY 98 -4.799 9.158 0.081 169 1HA GLY 98 1HA GLY 98 -4.258 7.444 -1.510 170 2HA GLY 98 2HA GLY 98 -3.353 8.636 -2.445 171 H TYR 99 H TYR 99 -1.449 9.608 -1.100 172 HA TYR 99 HA TYR 99 0.255 7.370 -0.330 173 1HB TYR 99 1HB TYR 99 2.016 8.874 -0.498 174 2HB TYR 99 2HB TYR 99 0.841 9.629 -1.570 175 HD1 TYR 99 HD1 TYR 99 2.082 9.644 1.948 176 HD2 TYR 99 HD2 TYR 99 0.053 11.821 -1.145 177 HE1 TYR 99 HE1 TYR 99 2.120 11.675 3.361 178 HE2 TYR 99 HE2 TYR 99 0.087 13.859 0.269 179 HH TYR 99 HH TYR 99 1.707 14.673 2.279 180 H ILE 100 H ILE 100 0.669 6.681 1.702 181 HA ILE 100 HA ILE 100 -0.365 8.379 3.924 182 HB ILE 100 HB ILE 100 -0.251 5.853 4.987 183 1HG1 ILE 100 1HG1 ILE 100 -1.248 5.585 2.118 184 2HG1 ILE 100 2HG1 ILE 100 0.183 4.795 2.791 185 1HG2 ILE 100 1HG2 ILE 100 -2.173 7.822 4.282 186 2HG2 ILE 100 2HG2 ILE 100 -2.828 6.253 3.814 187 3HG2 ILE 100 3HG2 ILE 100 -2.320 6.537 5.478 188 1HD1 ILE 100 1HD1 ILE 100 -2.440 4.459 4.184 189 2HD1 ILE 100 2HD1 ILE 100 -2.115 3.540 2.723 190 3HD1 ILE 100 3HD1 ILE 100 -1.055 3.368 4.118 191 H SER 101 H SER 101 1.480 5.446 4.462 192 HA SER 101 HA SER 101 4.084 6.609 4.583 193 1HB SER 101 1HB SER 101 2.329 6.959 6.964 194 2HB SER 101 2HB SER 101 4.003 6.501 7.262 195 HG SER 101 HG SER 101 3.275 8.871 6.943 196 H ALA 102 H ALA 102 5.511 5.216 6.181 197 HA ALA 102 HA ALA 102 5.109 2.453 5.466 198 1HB ALA 102 1HB ALA 102 7.270 3.917 6.257 199 2HB ALA 102 2HB ALA 102 6.905 3.045 7.745 200 3HB ALA 102 3HB ALA 102 7.231 2.155 6.258 201 H ALA 103 H ALA 103 4.463 4.363 8.362 202 HA ALA 103 HA ALA 103 3.851 2.143 10.080 203 1HB ALA 103 1HB ALA 103 3.987 4.938 10.340 204 2HB ALA 103 2HB ALA 103 2.310 4.524 10.700 205 3HB ALA 103 3HB ALA 103 3.619 3.780 11.619 206 H GLU 104 H GLU 104 2.141 3.680 7.508 207 HA GLU 104 HA GLU 104 -0.482 2.689 8.408 208 1HB GLU 104 1HB GLU 104 0.511 4.258 6.035 209 2HB GLU 104 2HB GLU 104 -1.081 3.496 5.984 210 1HG GLU 104 1HG GLU 104 -1.646 5.551 6.898 211 2HG GLU 104 2HG GLU 104 -1.331 4.633 8.370 212 H LEU 105 H LEU 105 1.888 2.004 5.842 213 HA LEU 105 HA LEU 105 0.460 -0.130 4.615 214 1HB LEU 105 1HB LEU 105 2.865 1.158 4.185 215 2HB LEU 105 2HB LEU 105 3.357 -0.477 4.639 216 HG LEU 105 HG LEU 105 1.068 -0.568 2.888 217 1HD1 LEU 105 1HD1 LEU 105 2.834 1.560 2.303 218 2HD1 LEU 105 2HD1 LEU 105 3.207 0.280 1.149 219 3HD1 LEU 105 3HD1 LEU 105 1.562 0.911 1.268 220 1HD2 LEU 105 1HD2 LEU 105 3.762 -1.749 3.214 221 2HD2 LEU 105 2HD2 LEU 105 2.241 -2.528 2.786 222 3HD2 LEU 105 3HD2 LEU 105 3.184 -1.696 1.548 223 H ARG 106 H ARG 106 2.668 -0.080 7.385 224 HA ARG 106 HA ARG 106 2.926 -2.905 7.670 225 1HB ARG 106 1HB ARG 106 3.334 -2.361 10.098 226 2HB ARG 106 2HB ARG 106 4.322 -1.422 8.978 227 1HG ARG 106 1HG ARG 106 3.552 0.342 10.189 228 2HG ARG 106 2HG ARG 106 2.131 0.170 9.161 229 1HD ARG 106 1HD ARG 106 0.905 -0.212 11.010 230 2HD ARG 106 2HD ARG 106 1.816 -1.704 11.251 231 HE ARG 106 HE ARG 106 3.503 0.088 12.371 232 1HH1 ARG 106 1HH1 ARG 106 0.626 -1.328 13.259 233 2HH1 ARG 106 2HH1 ARG 106 0.258 -0.224 14.543 234 1HH2 ARG 106 1HH2 ARG 106 2.805 1.983 13.731 235 2HH2 ARG 106 2HH2 ARG 106 1.492 1.650 14.810 236 H HIS 107 H HIS 107 0.475 -0.655 8.778 237 HA HIS 107 HA HIS 107 -1.003 -2.648 10.300 238 1HB HIS 107 1HB HIS 107 -0.943 -0.137 10.730 239 2HB HIS 107 2HB HIS 107 -2.045 0.024 9.362 240 HD1 HIS 107 HD1 HIS 107 -1.907 -0.970 12.927 241 HD2 HIS 107 HD2 HIS 107 -4.623 -1.265 9.777 242 HE1 HIS 107 HE1 HIS 107 -4.137 -1.584 13.959 243 H VAL 108 H VAL 108 -1.176 -1.495 6.968 244 HA VAL 108 HA VAL 108 -3.835 -2.765 6.634 245 HB VAL 108 HB VAL 108 -3.411 -2.000 4.167 246 1HG1 VAL 108 1HG1 VAL 108 -3.790 -0.064 6.464 247 2HG1 VAL 108 2HG1 VAL 108 -4.253 0.242 4.791 248 3HG1 VAL 108 3HG1 VAL 108 -5.054 -1.033 5.706 249 1HG2 VAL 108 1HG2 VAL 108 -0.928 -1.400 5.180 250 2HG2 VAL 108 2HG2 VAL 108 -1.623 -0.683 3.736 251 3HG2 VAL 108 3HG2 VAL 108 -1.747 0.156 5.281 252 H MET 109 H MET 109 -0.585 -3.187 5.105 253 HA MET 109 HA MET 109 -1.457 -5.535 3.706 254 1HB MET 109 1HB MET 109 1.174 -4.301 4.357 255 2HB MET 109 2HB MET 109 1.171 -6.005 3.888 256 1HG MET 109 1HG MET 109 -0.397 -5.249 1.970 257 2HG MET 109 2HG MET 109 0.193 -3.631 2.328 258 1HE MET 109 1HE MET 109 0.069 -5.811 0.130 259 2HE MET 109 2HE MET 109 0.971 -4.571 -0.729 260 3HE MET 109 3HE MET 109 1.617 -6.208 -0.627 261 H THR 110 H THR 110 -1.006 -5.015 7.008 262 HA THR 110 HA THR 110 -0.115 -7.737 7.656 263 HB THR 110 HB THR 110 0.447 -5.741 9.084 264 HG1 THR 110 HG1 THR 110 0.658 -7.496 10.257 265 1HG2 THR 110 1HG2 THR 110 -2.126 -5.032 8.753 266 2HG2 THR 110 2HG2 THR 110 -2.261 -5.871 10.297 267 3HG2 THR 110 3HG2 THR 110 -1.165 -4.499 10.132 268 H ASN 111 H ASN 111 -3.069 -6.133 7.014 269 HA ASN 111 HA ASN 111 -4.644 -8.299 8.309 270 1HB ASN 111 1HB ASN 111 -5.801 -5.856 6.964 271 2HB ASN 111 2HB ASN 111 -6.515 -6.855 8.230 272 1HD2 ASN 111 1HD2 ASN 111 -4.908 -3.609 9.557 273 2HD2 ASN 111 2HD2 ASN 111 -5.842 -3.859 8.161 274 H LEU 112 H LEU 112 -4.401 -6.480 5.232 275 HA LEU 112 HA LEU 112 -6.113 -8.010 3.643 276 1HB LEU 112 1HB LEU 112 -3.429 -6.790 2.967 277 2HB LEU 112 2HB LEU 112 -4.461 -7.532 1.751 278 HG LEU 112 HG LEU 112 -4.579 -4.863 2.761 279 1HD1 LEU 112 1HD1 LEU 112 -6.177 -6.558 0.839 280 2HD1 LEU 112 2HD1 LEU 112 -6.609 -4.875 1.141 281 3HD1 LEU 112 3HD1 LEU 112 -5.021 -5.273 0.487 282 1HD2 LEU 112 1HD2 LEU 112 -7.053 -6.533 3.431 283 2HD2 LEU 112 2HD2 LEU 112 -6.037 -5.678 4.590 284 3HD2 LEU 112 3HD2 LEU 112 -7.017 -4.786 3.426 285 H GLY 113 H GLY 113 -5.573 -9.711 2.020 286 1HA GLY 113 1HA GLY 113 -4.845 -12.135 3.102 287 2HA GLY 113 2HA GLY 113 -4.584 -11.765 1.396 288 H GLU 114 H GLU 114 -2.708 -9.553 2.112 289 HA GLU 114 HA GLU 114 -0.268 -10.994 1.967 290 1HB GLU 114 1HB GLU 114 -0.585 -8.204 3.095 291 2HB GLU 114 2HB GLU 114 0.824 -8.880 2.277 292 1HG GLU 114 1HG GLU 114 -1.868 -8.210 1.072 293 2HG GLU 114 2HG GLU 114 -0.298 -7.531 0.652 294 H LYS 115 H LYS 115 -1.628 -9.190 4.751 295 HA LYS 115 HA LYS 115 -0.961 -9.307 7.025 296 1HB LYS 115 1HB LYS 115 -1.320 -11.846 7.744 297 2HB LYS 115 2HB LYS 115 -2.679 -10.824 7.280 298 1HG LYS 115 1HG LYS 115 -2.467 -11.672 4.941 299 2HG LYS 115 2HG LYS 115 -1.202 -12.772 5.487 300 1HD LYS 115 1HD LYS 115 -4.120 -12.755 6.281 301 2HD LYS 115 2HD LYS 115 -3.210 -14.058 5.516 302 1HE LYS 115 1HE LYS 115 -1.721 -13.916 7.675 303 2HE LYS 115 2HE LYS 115 -3.135 -13.126 8.371 304 1HZ LYS 115 1HZ LYS 115 -4.271 -15.208 7.169 305 2HZ LYS 115 2HZ LYS 115 -2.764 -15.888 7.562 306 3HZ LYS 115 3HZ LYS 115 -3.743 -15.236 8.783 307 H LEU 116 H LEU 116 1.245 -8.848 7.143 308 HA LEU 116 HA LEU 116 2.993 -11.244 7.320 309 1HB LEU 116 1HB LEU 116 4.861 -9.730 6.425 310 2HB LEU 116 2HB LEU 116 3.674 -10.290 5.256 311 HG LEU 116 HG LEU 116 3.569 -7.576 6.626 312 1HD1 LEU 116 1HD1 LEU 116 5.441 -8.299 4.809 313 2HD1 LEU 116 2HD1 LEU 116 4.127 -7.860 3.717 314 3HD1 LEU 116 3HD1 LEU 116 4.745 -6.680 4.870 315 1HD2 LEU 116 1HD2 LEU 116 1.722 -9.092 4.960 316 2HD2 LEU 116 2HD2 LEU 116 1.467 -7.557 5.792 317 3HD2 LEU 116 3HD2 LEU 116 2.182 -7.579 4.180 318 H THR 117 H THR 117 4.758 -8.413 7.809 319 HA THR 117 HA THR 117 4.050 -8.370 10.711 320 HB THR 117 HB THR 117 6.888 -7.923 10.208 321 HG1 THR 117 HG1 THR 117 7.205 -10.239 9.838 322 1HG2 THR 117 1HG2 THR 117 5.202 -9.707 11.959 323 2HG2 THR 117 2HG2 THR 117 6.963 -9.787 11.964 324 3HG2 THR 117 3HG2 THR 117 6.147 -8.295 12.429 325 H ASP 118 H ASP 118 6.104 -6.441 11.339 326 HA ASP 118 HA ASP 118 5.035 -4.109 9.802 327 1HB ASP 118 1HB ASP 118 4.653 -4.362 12.375 328 2HB ASP 118 2HB ASP 118 6.345 -3.880 12.502 329 H GLU 119 H GLU 119 7.812 -5.956 10.507 330 HA GLU 119 HA GLU 119 9.715 -3.778 9.944 331 1HB GLU 119 1HB GLU 119 9.946 -6.702 10.621 332 2HB GLU 119 2HB GLU 119 11.329 -5.844 9.941 333 1HG GLU 119 1HG GLU 119 11.792 -5.065 11.998 334 2HG GLU 119 2HG GLU 119 10.280 -4.158 11.952 335 H GLU 120 H GLU 120 9.060 -6.966 8.471 336 HA GLU 120 HA GLU 120 10.440 -6.468 6.051 337 1HB GLU 120 1HB GLU 120 8.591 -8.188 5.165 338 2HB GLU 120 2HB GLU 120 9.925 -8.702 6.194 339 1HG GLU 120 1HG GLU 120 7.562 -9.470 6.872 340 2HG GLU 120 2HG GLU 120 8.559 -8.746 8.132 341 H VAL 121 H VAL 121 7.390 -5.226 7.129 342 HA VAL 121 HA VAL 121 6.554 -4.577 4.377 343 HB VAL 121 HB VAL 121 4.666 -5.055 5.768 344 1HG1 VAL 121 1HG1 VAL 121 5.936 -4.643 7.945 345 2HG1 VAL 121 2HG1 VAL 121 5.538 -2.940 7.736 346 3HG1 VAL 121 3HG1 VAL 121 4.255 -4.137 7.918 347 1HG2 VAL 121 1HG2 VAL 121 5.004 -2.570 4.539 348 2HG2 VAL 121 2HG2 VAL 121 3.474 -3.311 5.006 349 3HG2 VAL 121 3HG2 VAL 121 4.287 -2.199 6.106 350 H ASP 122 H ASP 122 7.432 -2.786 7.339 351 HA ASP 122 HA ASP 122 7.521 -0.218 6.068 352 1HB ASP 122 1HB ASP 122 7.501 -0.476 8.526 353 2HB ASP 122 2HB ASP 122 9.095 -1.230 8.461 354 H GLU 123 H GLU 123 9.562 -2.951 5.865 355 HA GLU 123 HA GLU 123 11.908 -1.397 4.962 356 1HB GLU 123 1HB GLU 123 11.369 -4.186 5.772 357 2HB GLU 123 2HB GLU 123 12.482 -4.024 4.415 358 1HG GLU 123 1HG GLU 123 13.879 -2.484 5.712 359 2HG GLU 123 2HG GLU 123 12.749 -2.571 7.063 360 H MET 124 H MET 124 9.451 -3.624 3.701 361 HA MET 124 HA MET 124 10.431 -3.622 0.993 362 1HB MET 124 1HB MET 124 8.423 -4.957 2.381 363 2HB MET 124 2HB MET 124 7.531 -3.929 1.261 364 1HG MET 124 1HG MET 124 9.688 -5.942 0.573 365 2HG MET 124 2HG MET 124 7.984 -6.009 0.124 366 1HE MET 124 1HE MET 124 10.408 -6.363 -1.781 367 2HE MET 124 2HE MET 124 10.985 -4.948 -2.659 368 3HE MET 124 3HE MET 124 11.429 -5.184 -0.963 369 H ILE 125 H ILE 125 8.782 -1.300 2.909 370 HA ILE 125 HA ILE 125 7.356 0.058 0.809 371 HB ILE 125 HB ILE 125 7.919 0.462 3.638 372 1HG1 ILE 125 1HG1 ILE 125 5.788 2.063 2.560 373 2HG1 ILE 125 2HG1 ILE 125 5.782 0.479 1.782 374 1HG2 ILE 125 1HG2 ILE 125 8.152 2.849 1.797 375 2HG2 ILE 125 2HG2 ILE 125 7.569 3.013 3.454 376 3HG2 ILE 125 3HG2 ILE 125 9.196 2.404 3.147 377 1HD1 ILE 125 1HD1 ILE 125 6.270 0.311 4.667 378 2HD1 ILE 125 2HD1 ILE 125 4.716 1.054 4.290 379 3HD1 ILE 125 3HD1 ILE 125 5.097 -0.555 3.679 380 H ARG 126 H ARG 126 10.691 0.090 1.898 381 HA ARG 126 HA ARG 126 11.600 2.499 0.753 382 1HB ARG 126 1HB ARG 126 13.045 -0.171 0.650 383 2HB ARG 126 2HB ARG 126 13.783 1.430 0.572 384 1HG ARG 126 1HG ARG 126 12.925 1.922 2.846 385 2HG ARG 126 2HG ARG 126 12.244 0.297 2.927 386 1HD ARG 126 1HD ARG 126 15.183 0.903 2.500 387 2HD ARG 126 2HD ARG 126 14.469 0.468 4.052 388 HE ARG 126 HE ARG 126 13.713 -1.559 2.259 389 1HH1 ARG 126 1HH1 ARG 126 16.166 -0.631 4.382 390 2HH1 ARG 126 2HH1 ARG 126 17.280 -1.867 3.903 391 1HH2 ARG 126 1HH2 ARG 126 15.331 -2.964 1.253 392 2HH2 ARG 126 2HH2 ARG 126 16.807 -3.189 2.131 393 H GLU 127 H GLU 127 10.362 -0.364 -0.714 394 HA GLU 127 HA GLU 127 11.469 0.134 -3.364 395 1HB GLU 127 1HB GLU 127 10.747 -2.134 -2.447 396 2HB GLU 127 2HB GLU 127 9.082 -1.587 -2.656 397 1HG GLU 127 1HG GLU 127 9.435 -2.623 -4.702 398 2HG GLU 127 2HG GLU 127 9.941 -0.979 -5.091 399 H ALA 128 H ALA 128 8.337 0.681 -1.720 400 HA ALA 128 HA ALA 128 7.284 1.998 -4.150 401 1HB ALA 128 1HB ALA 128 6.099 1.417 -1.425 402 2HB ALA 128 2HB ALA 128 5.247 2.333 -2.669 403 3HB ALA 128 3HB ALA 128 5.690 0.651 -2.961 404 H ASP 129 H ASP 129 7.187 3.028 -0.731 405 HA ASP 129 HA ASP 129 7.326 5.828 -1.523 406 1HB ASP 129 1HB ASP 129 6.040 5.106 0.460 407 2HB ASP 129 2HB ASP 129 7.530 4.542 1.219 408 H ILE 130 H ILE 130 9.193 6.922 -1.913 409 HA ILE 130 HA ILE 130 11.648 6.130 -0.436 410 HB ILE 130 HB ILE 130 12.937 6.336 -2.610 411 1HG1 ILE 130 1HG1 ILE 130 10.622 5.610 -4.231 412 2HG1 ILE 130 2HG1 ILE 130 10.465 7.232 -3.555 413 1HG2 ILE 130 1HG2 ILE 130 11.889 4.171 -1.437 414 2HG2 ILE 130 2HG2 ILE 130 10.989 4.102 -2.952 415 3HG2 ILE 130 3HG2 ILE 130 12.752 4.067 -2.971 416 1HD1 ILE 130 1HD1 ILE 130 12.916 6.233 -5.031 417 2HD1 ILE 130 2HD1 ILE 130 11.641 7.203 -5.766 418 3HD1 ILE 130 3HD1 ILE 130 12.625 7.878 -4.466 419 H ASP 131 H ASP 131 9.717 8.460 -0.484 420 HA ASP 131 HA ASP 131 10.048 10.749 0.002 421 1HB ASP 131 1HB ASP 131 12.615 9.784 0.162 422 2HB ASP 131 2HB ASP 131 12.751 10.961 -1.144 423 H GLY 132 H GLY 132 10.444 9.219 -3.012 424 1HA GLY 132 1HA GLY 132 10.896 11.426 -4.747 425 2HA GLY 132 2HA GLY 132 10.004 9.969 -5.194 426 H ASP 133 H ASP 133 7.726 9.900 -4.077 427 HA ASP 133 HA ASP 133 6.518 12.634 -4.240 428 1HB ASP 133 1HB ASP 133 4.556 11.654 -5.286 429 2HB ASP 133 2HB ASP 133 5.977 11.168 -6.211 430 H GLY 134 H GLY 134 3.884 11.502 -3.517 431 1HA GLY 134 1HA GLY 134 3.850 11.845 -0.760 432 2HA GLY 134 2HA GLY 134 2.690 10.810 -1.599 433 H GLN 135 H GLN 135 3.909 10.339 1.042 434 HA GLN 135 HA GLN 135 6.030 8.582 1.184 435 1HB GLN 135 1HB GLN 135 3.362 8.478 2.599 436 2HB GLN 135 2HB GLN 135 4.663 7.348 2.973 437 1HG GLN 135 1HG GLN 135 5.475 10.189 2.862 438 2HG GLN 135 2HG GLN 135 4.377 9.777 4.180 439 1HE2 GLN 135 1HE2 GLN 135 8.230 8.699 4.463 440 2HE2 GLN 135 2HE2 GLN 135 7.652 9.776 3.283 441 H VAL 136 H VAL 136 2.967 6.873 1.454 442 HA VAL 136 HA VAL 136 3.787 5.192 -0.882 443 HB VAL 136 HB VAL 136 2.302 3.770 1.210 444 1HG1 VAL 136 1HG1 VAL 136 4.119 3.274 -0.912 445 2HG1 VAL 136 2HG1 VAL 136 4.879 2.687 0.569 446 3HG1 VAL 136 3HG1 VAL 136 3.287 2.089 0.096 447 1HG2 VAL 136 1HG2 VAL 136 4.831 5.216 1.863 448 2HG2 VAL 136 2HG2 VAL 136 3.496 4.757 2.919 449 3HG2 VAL 136 3HG2 VAL 136 4.686 3.553 2.427 450 H ASN 137 H ASN 137 2.231 5.950 -2.327 451 HA ASN 137 HA ASN 137 -0.555 6.212 -1.420 452 1HB ASN 137 1HB ASN 137 -1.015 7.012 -3.677 453 2HB ASN 137 2HB ASN 137 0.379 7.856 -3.007 454 1HD2 ASN 137 1HD2 ASN 137 2.692 6.403 -5.316 455 2HD2 ASN 137 2HD2 ASN 137 2.547 7.211 -3.828 456 H TYR 138 H TYR 138 -2.032 5.304 -3.539 457 HA TYR 138 HA TYR 138 -1.977 2.445 -3.045 458 1HB TYR 138 1HB TYR 138 -3.615 4.185 -4.901 459 2HB TYR 138 2HB TYR 138 -3.812 2.433 -4.816 460 HD1 TYR 138 HD1 TYR 138 -2.800 4.223 -1.795 461 HD2 TYR 138 HD2 TYR 138 -6.159 2.734 -4.021 462 HE1 TYR 138 HE1 TYR 138 -4.216 4.482 0.190 463 HE2 TYR 138 HE2 TYR 138 -7.576 3.009 -2.016 464 HH TYR 138 HH TYR 138 -7.696 3.754 0.055 465 H GLU 139 H GLU 139 -1.222 4.539 -5.788 466 HA GLU 139 HA GLU 139 -0.625 2.459 -7.609 467 1HB GLU 139 1HB GLU 139 0.982 4.993 -7.662 468 2HB GLU 139 2HB GLU 139 0.262 4.107 -9.004 469 1HG GLU 139 1HG GLU 139 -2.010 4.758 -7.876 470 2HG GLU 139 2HG GLU 139 -1.049 6.000 -7.072 471 H GLU 140 H GLU 140 1.233 3.938 -5.019 472 HA GLU 140 HA GLU 140 3.636 2.354 -5.742 473 1HB GLU 140 1HB GLU 140 3.317 4.861 -4.577 474 2HB GLU 140 2HB GLU 140 3.775 3.828 -3.229 475 1HG GLU 140 1HG GLU 140 5.892 4.242 -3.978 476 2HG GLU 140 2HG GLU 140 5.514 2.949 -5.118 477 H PHE 141 H PHE 141 0.846 2.139 -3.839 478 HA PHE 141 HA PHE 141 2.056 0.380 -1.797 479 1HB PHE 141 1HB PHE 141 0.307 1.976 -1.101 480 2HB PHE 141 2HB PHE 141 -0.819 1.252 -2.247 481 HD1 PHE 141 HD1 PHE 141 1.654 -0.683 -0.319 482 HD2 PHE 141 HD2 PHE 141 -2.453 0.528 -0.592 483 HE1 PHE 141 HE1 PHE 141 1.044 -2.369 1.359 484 HE2 PHE 141 HE2 PHE 141 -3.070 -1.166 1.113 485 HZ PHE 141 HZ PHE 141 -1.317 -2.622 2.094 486 H VAL 142 H VAL 142 0.722 0.163 -4.903 487 HA VAL 142 HA VAL 142 -0.411 -2.519 -4.575 488 HB VAL 142 HB VAL 142 -1.397 -1.015 -6.234 489 1HG1 VAL 142 1HG1 VAL 142 1.369 -0.448 -6.774 490 2HG1 VAL 142 2HG1 VAL 142 0.588 -0.978 -8.264 491 3HG1 VAL 142 3HG1 VAL 142 -0.061 0.396 -7.367 492 1HG2 VAL 142 1HG2 VAL 142 -0.573 -3.646 -6.703 493 2HG2 VAL 142 2HG2 VAL 142 -1.791 -2.759 -7.620 494 3HG2 VAL 142 3HG2 VAL 142 -0.116 -2.780 -8.171 495 H GLN 143 H GLN 143 2.669 -1.124 -5.171 496 HA GLN 143 HA GLN 143 3.817 -3.294 -6.701 497 1HB GLN 143 1HB GLN 143 4.928 -1.155 -6.744 498 2HB GLN 143 2HB GLN 143 5.056 -1.126 -4.985 499 1HG GLN 143 1HG GLN 143 6.645 -2.905 -4.971 500 2HG GLN 143 2HG GLN 143 6.321 -3.302 -6.659 501 1HE2 GLN 143 1HE2 GLN 143 8.161 0.337 -6.238 502 2HE2 GLN 143 2HE2 GLN 143 6.744 0.003 -5.365 503 H MET 144 H MET 144 3.049 -2.848 -3.360 504 HA MET 144 HA MET 144 4.936 -4.916 -2.452 505 1HB MET 144 1HB MET 144 2.669 -3.883 -0.772 506 2HB MET 144 2HB MET 144 4.277 -4.390 -0.270 507 1HG MET 144 1HG MET 144 4.298 -2.110 -2.122 508 2HG MET 144 2HG MET 144 3.468 -1.777 -0.602 509 1HE MET 144 1HE MET 144 6.124 -1.816 -2.587 510 2HE MET 144 2HE MET 144 7.283 -0.936 -1.581 511 3HE MET 144 3HE MET 144 7.504 -2.657 -1.886 512 H MET 145 H MET 145 1.406 -4.530 -2.767 513 HA MET 145 HA MET 145 0.733 -7.177 -1.914 514 1HB MET 145 1HB MET 145 -1.366 -6.691 -3.417 515 2HB MET 145 2HB MET 145 -1.104 -5.736 -1.957 516 1HG MET 145 1HG MET 145 -0.728 -3.833 -3.130 517 2HG MET 145 2HG MET 145 0.266 -4.663 -4.325 518 1HE MET 145 1HE MET 145 -2.352 -2.744 -3.547 519 2HE MET 145 2HE MET 145 -2.299 -2.308 -5.251 520 3HE MET 145 3HE MET 145 -3.757 -3.034 -4.568 521 H THR 146 H THR 146 1.577 -5.863 -5.101 522 HA THR 146 HA THR 146 1.720 -8.688 -6.067 523 HB THR 146 HB THR 146 -0.249 -7.687 -7.081 524 HG1 THR 146 HG1 THR 146 0.586 -8.810 -8.663 525 1HG2 THR 146 1HG2 THR 146 1.645 -5.454 -7.855 526 2HG2 THR 146 2HG2 THR 146 0.007 -5.626 -8.482 527 3HG2 THR 146 3HG2 THR 146 0.266 -5.339 -6.762 528 H ALA 147 H ALA 147 3.879 -7.120 -4.987 529 HA ALA 147 HA ALA 147 5.478 -5.710 -6.780 530 1HB ALA 147 1HB ALA 147 5.905 -6.545 -4.295 531 2HB ALA 147 2HB ALA 147 6.791 -7.829 -5.118 532 3HB ALA 147 3HB ALA 147 7.256 -6.144 -5.353 533 H LYS 148 H LYS 148 5.864 -6.280 -8.874 534 HA LYS 148 HA LYS 148 5.649 -8.803 -10.037 535 1HB LYS 148 1HB LYS 148 6.791 -7.935 -11.911 536 2HB LYS 148 2HB LYS 148 6.097 -6.505 -11.151 537 1HG LYS 148 1HG LYS 148 8.926 -7.482 -10.660 538 2HG LYS 148 2HG LYS 148 8.502 -6.217 -11.813 539 1HD LYS 148 1HD LYS 148 7.939 -6.143 -8.834 540 2HD LYS 148 2HD LYS 148 9.207 -5.240 -9.662 541 1HE LYS 148 1HE LYS 148 6.810 -4.713 -11.071 542 2HE LYS 148 2HE LYS 148 6.423 -4.561 -9.357 543 1HZ LYS 148 1HZ LYS 148 8.839 -3.343 -9.580 544 2HZ LYS 148 2HZ LYS 148 8.055 -2.886 -11.016 545 3HZ LYS 148 3HZ LYS 148 7.340 -2.554 -9.510 No H/Q in entry = 545 Start of MODEL 14 Raw file had 555 H/Q atoms Start of MODEL 14 1 1H MET 76 1H MET 76 -12.888 -5.159 -19.219 2 2H MET 76 2H MET 76 -13.959 -4.001 -18.595 3 3H MET 76 3H MET 76 -13.679 -4.083 -20.268 4 HA MET 76 HA MET 76 -11.431 -3.353 -20.009 5 1HB MET 76 1HB MET 76 -11.864 -1.100 -19.013 6 2HB MET 76 2HB MET 76 -13.105 -1.586 -20.168 7 1HG MET 76 1HG MET 76 -13.680 -2.484 -17.439 8 2HG MET 76 2HG MET 76 -13.574 -0.729 -17.574 9 1HE MET 76 1HE MET 76 -14.537 0.637 -18.943 10 2HE MET 76 2HE MET 76 -15.079 0.111 -20.534 11 3HE MET 76 3HE MET 76 -16.264 0.576 -19.316 12 H LYS 77 H LYS 77 -9.645 -2.925 -18.635 13 HA LYS 77 HA LYS 77 -9.750 -4.331 -16.055 14 1HB LYS 77 1HB LYS 77 -7.300 -3.797 -15.996 15 2HB LYS 77 2HB LYS 77 -7.786 -4.662 -17.454 16 1HG LYS 77 1HG LYS 77 -8.146 -1.917 -18.021 17 2HG LYS 77 2HG LYS 77 -6.578 -2.051 -17.223 18 1HD LYS 77 1HD LYS 77 -5.729 -3.515 -18.851 19 2HD LYS 77 2HD LYS 77 -7.338 -3.971 -19.413 20 1HE LYS 77 1HE LYS 77 -7.167 -1.175 -19.754 21 2HE LYS 77 2HE LYS 77 -5.638 -1.828 -20.342 22 1HZ LYS 77 1HZ LYS 77 -8.316 -2.841 -21.127 23 2HZ LYS 77 2HZ LYS 77 -7.386 -1.762 -22.053 24 3HZ LYS 77 3HZ LYS 77 -6.819 -3.334 -21.762 25 H ASP 78 H ASP 78 -11.087 -2.931 -14.791 26 HA ASP 78 HA ASP 78 -9.670 -0.475 -13.880 27 1HB ASP 78 1HB ASP 78 -11.529 0.056 -15.554 28 2HB ASP 78 2HB ASP 78 -12.660 -0.538 -14.338 29 H THR 79 H THR 79 -9.347 -0.758 -11.731 30 HA THR 79 HA THR 79 -9.672 -1.509 -9.529 31 HB THR 79 HB THR 79 -12.605 -1.147 -10.197 32 HG1 THR 79 HG1 THR 79 -12.301 0.989 -9.792 33 1HG2 THR 79 1HG2 THR 79 -11.095 -1.732 -7.798 34 2HG2 THR 79 2HG2 THR 79 -11.957 -0.202 -7.631 35 3HG2 THR 79 3HG2 THR 79 -12.843 -1.676 -8.024 36 H ASP 80 H ASP 80 -9.117 -3.659 -10.941 37 HA ASP 80 HA ASP 80 -11.263 -5.633 -10.262 38 1HB ASP 80 1HB ASP 80 -10.288 -5.118 -12.779 39 2HB ASP 80 2HB ASP 80 -9.264 -6.460 -12.264 40 H SER 81 H SER 81 -8.866 -4.586 -8.715 41 HA SER 81 HA SER 81 -8.039 -7.120 -7.613 42 1HB SER 81 1HB SER 81 -6.383 -5.901 -9.722 43 2HB SER 81 2HB SER 81 -5.500 -6.275 -8.245 44 HG SER 81 HG SER 81 -5.578 -8.275 -8.852 45 H GLU 82 H GLU 82 -7.268 -3.672 -8.008 46 HA GLU 82 HA GLU 82 -6.078 -3.532 -5.327 47 1HB GLU 82 1HB GLU 82 -6.765 -1.402 -7.373 48 2HB GLU 82 2HB GLU 82 -5.978 -1.068 -5.830 49 1HG GLU 82 1HG GLU 82 -3.999 -2.085 -6.457 50 2HG GLU 82 2HG GLU 82 -4.801 -3.194 -7.572 51 H GLU 83 H GLU 83 -9.128 -4.029 -6.176 52 HA GLU 83 HA GLU 83 -10.515 -1.903 -4.776 53 1HB GLU 83 1HB GLU 83 -12.460 -3.536 -4.925 54 2HB GLU 83 2HB GLU 83 -11.739 -3.065 -6.466 55 1HG GLU 83 1HG GLU 83 -10.930 -5.139 -6.866 56 2HG GLU 83 2HG GLU 83 -10.449 -5.367 -5.187 57 H GLU 84 H GLU 84 -8.840 -4.732 -3.803 58 HA GLU 84 HA GLU 84 -10.280 -4.810 -1.200 59 1HB GLU 84 1HB GLU 84 -8.819 -6.868 -0.836 60 2HB GLU 84 2HB GLU 84 -9.997 -6.994 -2.143 61 1HG GLU 84 1HG GLU 84 -8.394 -7.014 -3.769 62 2HG GLU 84 2HG GLU 84 -7.356 -5.885 -2.900 63 H ILE 85 H ILE 85 -7.146 -4.057 -2.634 64 HA ILE 85 HA ILE 85 -5.843 -3.747 -0.031 65 HB ILE 85 HB ILE 85 -4.979 -2.928 -2.827 66 1HG1 ILE 85 1HG1 ILE 85 -3.283 -4.871 -2.039 67 2HG1 ILE 85 2HG1 ILE 85 -4.696 -5.354 -1.107 68 1HG2 ILE 85 1HG2 ILE 85 -3.631 -2.739 -0.129 69 2HG2 ILE 85 2HG2 ILE 85 -2.693 -2.844 -1.619 70 3HG2 ILE 85 3HG2 ILE 85 -3.794 -1.490 -1.364 71 1HD1 ILE 85 1HD1 ILE 85 -5.639 -4.695 -3.694 72 2HD1 ILE 85 2HD1 ILE 85 -4.206 -5.698 -3.923 73 3HD1 ILE 85 3HD1 ILE 85 -5.553 -6.294 -2.958 74 H ARG 86 H ARG 86 -7.015 -1.548 -2.592 75 HA ARG 86 HA ARG 86 -6.325 0.844 -1.238 76 1HB ARG 86 1HB ARG 86 -7.214 1.815 -3.076 77 2HB ARG 86 2HB ARG 86 -7.590 0.196 -3.651 78 1HG ARG 86 1HG ARG 86 -9.645 1.402 -3.753 79 2HG ARG 86 2HG ARG 86 -9.772 0.387 -2.316 80 1HD ARG 86 1HD ARG 86 -9.966 2.193 -0.978 81 2HD ARG 86 2HD ARG 86 -8.513 2.919 -1.661 82 HE ARG 86 HE ARG 86 -9.929 4.315 -2.909 83 1HH1 ARG 86 1HH1 ARG 86 -11.850 2.105 -1.256 84 2HH1 ARG 86 2HH1 ARG 86 -13.206 2.218 -2.329 85 1HH2 ARG 86 1HH2 ARG 86 -11.531 4.156 -4.666 86 2HH2 ARG 86 2HH2 ARG 86 -13.025 3.379 -4.260 87 H GLU 87 H GLU 87 -8.955 -1.402 -0.749 88 HA GLU 87 HA GLU 87 -10.659 0.364 0.746 89 1HB GLU 87 1HB GLU 87 -11.434 -1.802 -0.178 90 2HB GLU 87 2HB GLU 87 -10.370 -2.652 0.945 91 1HG GLU 87 1HG GLU 87 -11.564 -1.515 2.835 92 2HG GLU 87 2HG GLU 87 -12.702 -0.858 1.659 93 H ALA 88 H ALA 88 -8.195 -2.016 1.769 94 HA ALA 88 HA ALA 88 -8.389 -1.056 4.548 95 1HB ALA 88 1HB ALA 88 -6.749 -3.184 3.162 96 2HB ALA 88 2HB ALA 88 -6.449 -2.724 4.839 97 3HB ALA 88 3HB ALA 88 -8.012 -3.397 4.375 98 H PHE 89 H PHE 89 -7.103 0.265 1.908 99 HA PHE 89 HA PHE 89 -4.678 1.296 3.302 100 1HB PHE 89 1HB PHE 89 -4.624 0.012 0.925 101 2HB PHE 89 2HB PHE 89 -5.021 1.626 0.344 102 HD1 PHE 89 HD1 PHE 89 -2.726 0.205 2.993 103 HD2 PHE 89 HD2 PHE 89 -3.164 2.835 -0.369 104 HE1 PHE 89 HE1 PHE 89 -0.372 0.916 3.236 105 HE2 PHE 89 HE2 PHE 89 -0.813 3.536 -0.134 106 HZ PHE 89 HZ PHE 89 0.596 2.567 1.662 107 H ARG 90 H ARG 90 -7.815 1.901 2.159 108 HA ARG 90 HA ARG 90 -7.440 4.772 1.791 109 1HB ARG 90 1HB ARG 90 -9.678 4.858 1.083 110 2HB ARG 90 2HB ARG 90 -9.188 3.254 0.559 111 1HG ARG 90 1HG ARG 90 -10.101 2.355 2.734 112 2HG ARG 90 2HG ARG 90 -10.755 3.959 3.051 113 1HD ARG 90 1HD ARG 90 -11.638 1.912 1.084 114 2HD ARG 90 2HD ARG 90 -12.590 3.088 1.985 115 HE ARG 90 HE ARG 90 -11.104 3.666 -0.536 116 1HH1 ARG 90 1HH1 ARG 90 -11.389 6.033 1.298 117 2HH1 ARG 90 2HH1 ARG 90 -12.880 6.727 0.755 118 1HH2 ARG 90 1HH2 ARG 90 -13.881 3.889 -0.968 119 2HH2 ARG 90 2HH2 ARG 90 -14.291 5.513 -0.527 120 H VAL 91 H VAL 91 -8.221 2.464 4.154 121 HA VAL 91 HA VAL 91 -9.723 3.820 6.070 122 HB VAL 91 HB VAL 91 -7.495 1.787 6.234 123 1HG1 VAL 91 1HG1 VAL 91 -9.017 3.161 8.439 124 2HG1 VAL 91 2HG1 VAL 91 -8.583 1.462 8.623 125 3HG1 VAL 91 3HG1 VAL 91 -7.323 2.674 8.392 126 1HG2 VAL 91 1HG2 VAL 91 -9.880 1.391 5.256 127 2HG2 VAL 91 2HG2 VAL 91 -9.241 0.223 6.414 128 3HG2 VAL 91 3HG2 VAL 91 -10.407 1.437 6.941 129 H PHE 92 H PHE 92 -6.487 4.482 5.019 130 HA PHE 92 HA PHE 92 -6.057 6.188 7.427 131 1HB PHE 92 1HB PHE 92 -4.127 4.983 5.440 132 2HB PHE 92 2HB PHE 92 -3.658 6.147 6.679 133 HD1 PHE 92 HD1 PHE 92 -4.052 5.602 9.109 134 HD2 PHE 92 HD2 PHE 92 -4.512 2.693 5.984 135 HE1 PHE 92 HE1 PHE 92 -3.927 3.779 10.788 136 HE2 PHE 92 HE2 PHE 92 -4.387 0.870 7.661 137 HZ PHE 92 HZ PHE 92 -4.094 1.412 10.062 138 H ASP 93 H ASP 93 -6.264 6.225 3.914 139 HA ASP 93 HA ASP 93 -5.370 9.018 3.754 140 1HB ASP 93 1HB ASP 93 -5.739 8.817 1.377 141 2HB ASP 93 2HB ASP 93 -4.995 7.308 1.910 142 H LYS 94 H LYS 94 -7.111 9.484 5.462 143 HA LYS 94 HA LYS 94 -9.886 9.410 4.901 144 1HB LYS 94 1HB LYS 94 -8.701 11.700 6.440 145 2HB LYS 94 2HB LYS 94 -10.161 10.770 6.775 146 1HG LYS 94 1HG LYS 94 -8.913 9.622 8.274 147 2HG LYS 94 2HG LYS 94 -8.147 8.855 6.881 148 1HD LYS 94 1HD LYS 94 -6.243 10.116 7.061 149 2HD LYS 94 2HD LYS 94 -7.114 11.538 7.633 150 1HE LYS 94 1HE LYS 94 -7.412 10.466 9.840 151 2HE LYS 94 2HE LYS 94 -6.524 9.053 9.268 152 1HZ LYS 94 1HZ LYS 94 -4.663 10.644 8.755 153 2HZ LYS 94 2HZ LYS 94 -5.511 11.809 9.648 154 3HZ LYS 94 3HZ LYS 94 -4.977 10.385 10.404 155 H ASP 95 H ASP 95 -7.543 12.048 4.307 156 HA ASP 95 HA ASP 95 -9.565 13.685 2.988 157 1HB ASP 95 1HB ASP 95 -7.106 14.210 4.115 158 2HB ASP 95 2HB ASP 95 -6.744 14.281 2.390 159 H GLY 96 H GLY 96 -7.902 10.938 2.097 160 1HA GLY 96 1HA GLY 96 -7.905 9.835 0.020 161 2HA GLY 96 2HA GLY 96 -8.680 11.252 -0.692 162 H ASN 97 H ASN 97 -5.600 10.950 1.079 163 HA ASN 97 HA ASN 97 -4.278 12.570 -0.987 164 1HB ASN 97 1HB ASN 97 -3.174 11.237 1.508 165 2HB ASN 97 2HB ASN 97 -2.297 12.379 0.488 166 1HD2 ASN 97 1HD2 ASN 97 -4.729 13.811 3.330 167 2HD2 ASN 97 2HD2 ASN 97 -4.246 12.185 3.249 168 H GLY 98 H GLY 98 -4.629 9.223 -0.146 169 1HA GLY 98 1HA GLY 98 -4.088 7.383 -1.556 170 2HA GLY 98 2HA GLY 98 -3.125 8.469 -2.560 171 H TYR 99 H TYR 99 -1.266 9.527 -1.007 172 HA TYR 99 HA TYR 99 0.392 7.234 -0.279 173 1HB TYR 99 1HB TYR 99 2.182 8.711 -0.316 174 2HB TYR 99 2HB TYR 99 1.068 9.525 -1.410 175 HD1 TYR 99 HD1 TYR 99 2.218 9.407 2.134 176 HD2 TYR 99 HD2 TYR 99 0.232 11.691 -0.912 177 HE1 TYR 99 HE1 TYR 99 2.220 11.388 3.622 178 HE2 TYR 99 HE2 TYR 99 0.232 13.676 0.577 179 HH TYR 99 HH TYR 99 1.186 13.453 3.932 180 H ILE 100 H ILE 100 0.557 6.385 1.676 181 HA ILE 100 HA ILE 100 -0.313 8.030 4.001 182 HB ILE 100 HB ILE 100 -0.620 5.506 4.911 183 1HG1 ILE 100 1HG1 ILE 100 -1.341 5.386 1.959 184 2HG1 ILE 100 2HG1 ILE 100 -0.034 4.481 2.730 185 1HG2 ILE 100 1HG2 ILE 100 -2.327 7.603 3.820 186 2HG2 ILE 100 2HG2 ILE 100 -3.060 6.007 3.665 187 3HG2 ILE 100 3HG2 ILE 100 -2.566 6.601 5.250 188 1HD1 ILE 100 1HD1 ILE 100 -2.741 4.260 3.944 189 2HD1 ILE 100 2HD1 ILE 100 -2.473 3.446 2.409 190 3HD1 ILE 100 3HD1 ILE 100 -1.470 3.052 3.802 191 H SER 101 H SER 101 0.773 7.147 6.101 192 HA SER 101 HA SER 101 3.623 7.286 5.710 193 1HB SER 101 1HB SER 101 2.031 6.537 8.171 194 2HB SER 101 2HB SER 101 3.740 6.961 8.152 195 HG SER 101 HG SER 101 3.225 9.000 7.928 196 H ALA 102 H ALA 102 5.084 5.628 6.878 197 HA ALA 102 HA ALA 102 4.760 3.060 5.587 198 1HB ALA 102 1HB ALA 102 6.738 4.344 7.395 199 2HB ALA 102 2HB ALA 102 6.652 2.584 7.481 200 3HB ALA 102 3HB ALA 102 7.004 3.376 5.944 201 H ALA 103 H ALA 103 3.957 4.385 8.726 202 HA ALA 103 HA ALA 103 3.504 1.877 10.067 203 1HB ALA 103 1HB ALA 103 3.392 4.557 10.791 204 2HB ALA 103 2HB ALA 103 1.700 4.059 10.843 205 3HB ALA 103 3HB ALA 103 2.901 3.204 11.811 206 H GLU 104 H GLU 104 1.708 3.827 7.796 207 HA GLU 104 HA GLU 104 -0.881 2.644 8.177 208 1HB GLU 104 1HB GLU 104 0.477 4.312 6.143 209 2HB GLU 104 2HB GLU 104 -0.846 3.314 5.531 210 1HG GLU 104 1HG GLU 104 -2.087 5.108 6.233 211 2HG GLU 104 2HG GLU 104 -2.008 4.248 7.770 212 H LEU 105 H LEU 105 1.685 1.980 5.785 213 HA LEU 105 HA LEU 105 0.424 -0.247 4.556 214 1HB LEU 105 1HB LEU 105 2.883 1.112 4.358 215 2HB LEU 105 2HB LEU 105 3.284 -0.580 4.666 216 HG LEU 105 HG LEU 105 1.139 -0.600 2.835 217 1HD1 LEU 105 1HD1 LEU 105 2.226 1.875 2.600 218 2HD1 LEU 105 2HD1 LEU 105 3.271 0.971 1.504 219 3HD1 LEU 105 3HD1 LEU 105 1.526 0.992 1.242 220 1HD2 LEU 105 1HD2 LEU 105 4.127 -1.026 2.465 221 2HD2 LEU 105 2HD2 LEU 105 2.968 -2.249 2.985 222 3HD2 LEU 105 3HD2 LEU 105 2.886 -1.587 1.351 223 H ARG 106 H ARG 106 2.775 -0.117 7.232 224 HA ARG 106 HA ARG 106 3.047 -2.870 7.718 225 1HB ARG 106 1HB ARG 106 4.445 -1.405 8.952 226 2HB ARG 106 2HB ARG 106 3.075 -0.474 9.555 227 1HG ARG 106 1HG ARG 106 3.295 -3.394 10.224 228 2HG ARG 106 2HG ARG 106 4.239 -2.214 11.130 229 1HD ARG 106 1HD ARG 106 1.649 -1.121 10.944 230 2HD ARG 106 2HD ARG 106 1.421 -2.824 11.343 231 HE ARG 106 HE ARG 106 3.198 -1.036 12.958 232 1HH1 ARG 106 1HH1 ARG 106 3.713 -3.227 14.331 233 2HH1 ARG 106 2HH1 ARG 106 2.317 -3.675 15.252 234 1HH2 ARG 106 1HH2 ARG 106 0.135 -1.725 13.392 235 2HH2 ARG 106 2HH2 ARG 106 0.291 -2.825 14.720 236 H HIS 107 H HIS 107 0.251 -0.900 8.105 237 HA HIS 107 HA HIS 107 -1.027 -2.971 9.829 238 1HB HIS 107 1HB HIS 107 -1.045 -0.575 10.608 239 2HB HIS 107 2HB HIS 107 -2.037 -0.185 9.202 240 HD1 HIS 107 HD1 HIS 107 -2.305 -1.275 12.643 241 HD2 HIS 107 HD2 HIS 107 -4.548 -1.863 9.177 242 HE1 HIS 107 HE1 HIS 107 -4.587 -2.075 13.394 243 H VAL 108 H VAL 108 -1.054 -1.631 6.625 244 HA VAL 108 HA VAL 108 -3.757 -2.729 6.085 245 HB VAL 108 HB VAL 108 -1.871 -1.372 4.143 246 1HG1 VAL 108 1HG1 VAL 108 -4.746 -2.223 4.143 247 2HG1 VAL 108 2HG1 VAL 108 -4.277 -0.812 3.202 248 3HG1 VAL 108 3HG1 VAL 108 -3.540 -2.379 2.867 249 1HG2 VAL 108 1HG2 VAL 108 -3.499 -0.300 6.350 250 2HG2 VAL 108 2HG2 VAL 108 -2.196 0.464 5.441 251 3HG2 VAL 108 3HG2 VAL 108 -3.833 0.457 4.794 252 H MET 109 H MET 109 -0.460 -3.115 4.741 253 HA MET 109 HA MET 109 -1.331 -5.569 3.382 254 1HB MET 109 1HB MET 109 0.841 -3.686 3.143 255 2HB MET 109 2HB MET 109 1.502 -5.303 3.326 256 1HG MET 109 1HG MET 109 0.850 -4.292 0.935 257 2HG MET 109 2HG MET 109 0.707 -6.009 1.284 258 1HE MET 109 1HE MET 109 -0.711 -7.080 0.347 259 2HE MET 109 2HE MET 109 -2.004 -7.232 1.532 260 3HE MET 109 3HE MET 109 -2.385 -6.747 -0.118 261 H THR 110 H THR 110 -0.893 -4.998 6.468 262 HA THR 110 HA THR 110 0.783 -7.386 7.047 263 HB THR 110 HB THR 110 -0.172 -5.032 8.667 264 HG1 THR 110 HG1 THR 110 2.329 -6.347 8.508 265 1HG2 THR 110 1HG2 THR 110 0.435 -7.795 9.634 266 2HG2 THR 110 2HG2 THR 110 1.008 -6.429 10.592 267 3HG2 THR 110 3HG2 THR 110 -0.715 -6.614 10.262 268 H ASN 111 H ASN 111 -2.446 -6.302 6.796 269 HA ASN 111 HA ASN 111 -3.423 -8.795 8.133 270 1HB ASN 111 1HB ASN 111 -5.352 -6.583 7.692 271 2HB ASN 111 2HB ASN 111 -5.176 -7.659 9.077 272 1HD2 ASN 111 1HD2 ASN 111 -4.053 -4.111 9.902 273 2HD2 ASN 111 2HD2 ASN 111 -5.453 -4.700 9.144 274 H LEU 112 H LEU 112 -3.534 -6.647 5.386 275 HA LEU 112 HA LEU 112 -5.692 -7.578 3.887 276 1HB LEU 112 1HB LEU 112 -3.026 -6.430 3.263 277 2HB LEU 112 2HB LEU 112 -3.807 -7.299 1.944 278 HG LEU 112 HG LEU 112 -4.300 -4.775 2.141 279 1HD1 LEU 112 1HD1 LEU 112 -6.312 -6.993 1.892 280 2HD1 LEU 112 2HD1 LEU 112 -6.863 -5.319 1.824 281 3HD1 LEU 112 3HD1 LEU 112 -5.687 -5.909 0.650 282 1HD2 LEU 112 1HD2 LEU 112 -5.050 -5.605 4.751 283 2HD2 LEU 112 2HD2 LEU 112 -5.224 -4.007 4.042 284 3HD2 LEU 112 3HD2 LEU 112 -6.539 -5.172 3.915 285 H GLY 113 H GLY 113 -5.146 -8.949 1.701 286 1HA GLY 113 1HA GLY 113 -4.960 -11.653 2.447 287 2HA GLY 113 2HA GLY 113 -4.646 -11.066 0.813 288 H GLU 114 H GLU 114 -2.433 -9.315 2.023 289 HA GLU 114 HA GLU 114 -0.278 -11.197 1.564 290 1HB GLU 114 1HB GLU 114 -0.567 -8.316 1.998 291 2HB GLU 114 2HB GLU 114 0.866 -8.980 2.781 292 1HG GLU 114 1HG GLU 114 0.453 -10.055 0.091 293 2HG GLU 114 2HG GLU 114 0.665 -8.305 0.098 294 H LYS 115 H LYS 115 -0.765 -9.125 4.442 295 HA LYS 115 HA LYS 115 -0.370 -9.592 6.705 296 1HB LYS 115 1HB LYS 115 -2.136 -11.388 6.041 297 2HB LYS 115 2HB LYS 115 -0.774 -12.509 6.073 298 1HG LYS 115 1HG LYS 115 -0.744 -12.540 8.328 299 2HG LYS 115 2HG LYS 115 -0.787 -10.778 8.414 300 1HD LYS 115 1HD LYS 115 -3.093 -10.699 8.534 301 2HD LYS 115 2HD LYS 115 -3.296 -12.201 7.632 302 1HE LYS 115 1HE LYS 115 -2.241 -13.369 9.667 303 2HE LYS 115 2HE LYS 115 -2.523 -11.856 10.530 304 1HZ LYS 115 1HZ LYS 115 -4.884 -12.032 9.788 305 2HZ LYS 115 2HZ LYS 115 -4.540 -13.601 9.235 306 3HZ LYS 115 3HZ LYS 115 -4.399 -13.229 10.886 307 H LEU 116 H LEU 116 1.924 -9.048 6.289 308 HA LEU 116 HA LEU 116 3.674 -11.467 6.296 309 1HB LEU 116 1HB LEU 116 5.466 -9.854 5.516 310 2HB LEU 116 2HB LEU 116 4.151 -10.092 4.365 311 HG LEU 116 HG LEU 116 3.864 -7.864 6.347 312 1HD1 LEU 116 1HD1 LEU 116 6.101 -8.128 4.509 313 2HD1 LEU 116 2HD1 LEU 116 5.106 -6.731 4.103 314 3HD1 LEU 116 3HD1 LEU 116 5.794 -6.883 5.720 315 1HD2 LEU 116 1HD2 LEU 116 2.190 -8.605 4.514 316 2HD2 LEU 116 2HD2 LEU 116 2.582 -6.887 4.601 317 3HD2 LEU 116 3HD2 LEU 116 3.333 -7.902 3.370 318 H THR 117 H THR 117 5.514 -8.835 7.092 319 HA THR 117 HA THR 117 4.949 -9.137 10.008 320 HB THR 117 HB THR 117 7.738 -8.561 9.140 321 HG1 THR 117 HG1 THR 117 6.849 -11.224 9.143 322 1HG2 THR 117 1HG2 THR 117 6.465 -9.169 11.507 323 2HG2 THR 117 2HG2 THR 117 7.164 -10.722 11.045 324 3HG2 THR 117 3HG2 THR 117 8.201 -9.307 11.227 325 H ASP 118 H ASP 118 6.813 -7.209 10.869 326 HA ASP 118 HA ASP 118 5.590 -4.760 9.678 327 1HB ASP 118 1HB ASP 118 5.298 -5.096 12.129 328 2HB ASP 118 2HB ASP 118 7.053 -5.100 12.319 329 H GLU 119 H GLU 119 8.592 -6.450 10.162 330 HA GLU 119 HA GLU 119 10.226 -4.111 9.447 331 1HB GLU 119 1HB GLU 119 10.854 -7.034 9.935 332 2HB GLU 119 2HB GLU 119 12.073 -5.891 9.371 333 1HG GLU 119 1HG GLU 119 12.077 -4.698 11.362 334 2HG GLU 119 2HG GLU 119 10.423 -5.162 11.764 335 H GLU 120 H GLU 120 8.622 -6.754 7.892 336 HA GLU 120 HA GLU 120 10.170 -6.526 5.409 337 1HB GLU 120 1HB GLU 120 7.497 -7.900 5.723 338 2HB GLU 120 2HB GLU 120 8.787 -8.270 4.579 339 1HG GLU 120 1HG GLU 120 9.038 -8.571 7.584 340 2HG GLU 120 2HG GLU 120 8.660 -9.895 6.482 341 H VAL 121 H VAL 121 7.081 -5.414 6.716 342 HA VAL 121 HA VAL 121 6.266 -4.220 4.169 343 HB VAL 121 HB VAL 121 4.507 -4.974 5.641 344 1HG1 VAL 121 1HG1 VAL 121 6.148 -4.221 7.706 345 2HG1 VAL 121 2HG1 VAL 121 4.912 -2.967 7.742 346 3HG1 VAL 121 3HG1 VAL 121 4.451 -4.664 7.876 347 1HG2 VAL 121 1HG2 VAL 121 4.552 -2.536 4.449 348 2HG2 VAL 121 2HG2 VAL 121 3.138 -3.186 5.279 349 3HG2 VAL 121 3HG2 VAL 121 4.217 -2.070 6.116 350 H ASP 122 H ASP 122 7.486 -3.016 7.292 351 HA ASP 122 HA ASP 122 7.451 -0.245 6.429 352 1HB ASP 122 1HB ASP 122 7.403 -1.002 8.835 353 2HB ASP 122 2HB ASP 122 9.097 -1.462 8.662 354 H GLU 123 H GLU 123 10.011 -2.721 6.690 355 HA GLU 123 HA GLU 123 12.074 -0.933 5.716 356 1HB GLU 123 1HB GLU 123 12.375 -3.112 7.069 357 2HB GLU 123 2HB GLU 123 12.173 -3.944 5.526 358 1HG GLU 123 1HG GLU 123 14.000 -1.783 5.124 359 2HG GLU 123 2HG GLU 123 14.524 -2.681 6.550 360 H MET 124 H MET 124 9.671 -2.957 4.207 361 HA MET 124 HA MET 124 11.021 -2.955 1.605 362 1HB MET 124 1HB MET 124 9.561 -4.836 2.226 363 2HB MET 124 2HB MET 124 8.188 -3.735 2.360 364 1HG MET 124 1HG MET 124 7.804 -3.995 0.160 365 2HG MET 124 2HG MET 124 9.375 -3.267 -0.176 366 1HE MET 124 1HE MET 124 11.449 -4.290 -0.130 367 2HE MET 124 2HE MET 124 11.818 -5.911 -0.712 368 3HE MET 124 3HE MET 124 11.050 -4.735 -1.786 369 H ILE 125 H ILE 125 8.899 -0.849 3.352 370 HA ILE 125 HA ILE 125 7.615 0.375 1.107 371 HB ILE 125 HB ILE 125 7.762 0.824 3.953 372 1HG1 ILE 125 1HG1 ILE 125 5.806 2.335 2.384 373 2HG1 ILE 125 2HG1 ILE 125 5.904 0.633 1.927 374 1HG2 ILE 125 1HG2 ILE 125 7.939 3.325 2.240 375 2HG2 ILE 125 2HG2 ILE 125 7.506 3.295 3.949 376 3HG2 ILE 125 3HG2 ILE 125 9.124 2.808 3.441 377 1HD1 ILE 125 1HD1 ILE 125 6.018 0.841 4.791 378 2HD1 ILE 125 2HD1 ILE 125 4.622 1.748 4.209 379 3HD1 ILE 125 3HD1 ILE 125 4.800 0.044 3.799 380 H ARG 126 H ARG 126 10.847 0.341 2.064 381 HA ARG 126 HA ARG 126 11.536 2.945 0.892 382 1HB ARG 126 1HB ARG 126 13.489 0.706 1.396 383 2HB ARG 126 2HB ARG 126 13.753 2.448 1.504 384 1HG ARG 126 1HG ARG 126 11.720 1.999 3.341 385 2HG ARG 126 2HG ARG 126 12.766 0.592 3.541 386 1HD ARG 126 1HD ARG 126 13.882 3.395 3.431 387 2HD ARG 126 2HD ARG 126 13.340 2.669 4.944 388 HE ARG 126 HE ARG 126 15.268 1.088 3.367 389 1HH1 ARG 126 1HH1 ARG 126 15.089 0.378 6.131 390 2HH1 ARG 126 2HH1 ARG 126 16.339 1.295 6.904 391 1HH2 ARG 126 1HH2 ARG 126 16.687 3.533 4.279 392 2HH2 ARG 126 2HH2 ARG 126 17.243 3.081 5.856 393 H GLU 127 H GLU 127 10.113 0.633 -0.558 394 HA GLU 127 HA GLU 127 11.894 0.535 -2.933 395 1HB GLU 127 1HB GLU 127 11.863 -1.663 -1.905 396 2HB GLU 127 2HB GLU 127 10.103 -1.607 -1.752 397 1HG GLU 127 1HG GLU 127 10.016 -2.640 -3.762 398 2HG GLU 127 2HG GLU 127 10.570 -1.120 -4.465 399 H ALA 128 H ALA 128 8.583 0.705 -1.624 400 HA ALA 128 HA ALA 128 7.390 0.828 -4.296 401 1HB ALA 128 1HB ALA 128 6.454 0.493 -1.617 402 2HB ALA 128 2HB ALA 128 5.623 1.885 -2.315 403 3HB ALA 128 3HB ALA 128 5.546 0.316 -3.119 404 H ASP 129 H ASP 129 6.881 3.200 -1.706 405 HA ASP 129 HA ASP 129 6.906 5.339 -3.734 406 1HB ASP 129 1HB ASP 129 5.751 4.905 -1.098 407 2HB ASP 129 2HB ASP 129 6.510 6.493 -1.231 408 H ILE 130 H ILE 130 8.829 4.270 -0.969 409 HA ILE 130 HA ILE 130 10.801 5.173 -0.046 410 HB ILE 130 HB ILE 130 12.567 5.478 -1.678 411 1HG1 ILE 130 1HG1 ILE 130 10.550 5.396 -3.915 412 2HG1 ILE 130 2HG1 ILE 130 10.992 6.933 -3.174 413 1HG2 ILE 130 1HG2 ILE 130 10.915 3.236 -1.525 414 2HG2 ILE 130 2HG2 ILE 130 11.127 3.496 -3.256 415 3HG2 ILE 130 3HG2 ILE 130 12.536 3.289 -2.218 416 1HD1 ILE 130 1HD1 ILE 130 13.431 6.243 -3.570 417 2HD1 ILE 130 2HD1 ILE 130 12.786 4.980 -4.619 418 3HD1 ILE 130 3HD1 ILE 130 12.494 6.677 -5.000 419 H ASP 131 H ASP 131 8.728 6.996 0.099 420 HA ASP 131 HA ASP 131 8.454 9.257 0.632 421 1HB ASP 131 1HB ASP 131 10.866 9.187 1.307 422 2HB ASP 131 2HB ASP 131 11.306 9.629 -0.338 423 H GLY 132 H GLY 132 10.711 9.993 -1.989 424 1HA GLY 132 1HA GLY 132 10.268 11.271 -3.929 425 2HA GLY 132 2HA GLY 132 9.184 9.921 -4.265 426 H ASP 133 H ASP 133 6.964 10.212 -4.005 427 HA ASP 133 HA ASP 133 6.089 12.934 -3.124 428 1HB ASP 133 1HB ASP 133 4.659 11.339 -5.251 429 2HB ASP 133 2HB ASP 133 4.542 13.064 -4.908 430 H GLY 134 H GLY 134 5.797 11.767 -1.023 431 1HA GLY 134 1HA GLY 134 3.792 11.293 0.340 432 2HA GLY 134 2HA GLY 134 3.177 10.328 -1.005 433 H GLN 135 H GLN 135 4.055 9.780 1.947 434 HA GLN 135 HA GLN 135 6.273 8.113 2.103 435 1HB GLN 135 1HB GLN 135 3.634 8.189 3.478 436 2HB GLN 135 2HB GLN 135 4.596 6.722 3.681 437 1HG GLN 135 1HG GLN 135 5.561 9.551 4.202 438 2HG GLN 135 2HG GLN 135 5.114 8.378 5.442 439 1HE2 GLN 135 1HE2 GLN 135 8.857 8.331 4.160 440 2HE2 GLN 135 2HE2 GLN 135 7.805 9.659 4.063 441 H VAL 136 H VAL 136 2.951 6.902 1.358 442 HA VAL 136 HA VAL 136 4.059 5.159 -0.705 443 HB VAL 136 HB VAL 136 2.601 3.506 1.211 444 1HG1 VAL 136 1HG1 VAL 136 4.619 3.305 -0.834 445 2HG1 VAL 136 2HG1 VAL 136 5.164 2.487 0.631 446 3HG1 VAL 136 3HG1 VAL 136 3.635 2.025 -0.121 447 1HG2 VAL 136 1HG2 VAL 136 3.988 5.056 2.700 448 2HG2 VAL 136 2HG2 VAL 136 4.305 3.330 2.885 449 3HG2 VAL 136 3HG2 VAL 136 5.413 4.335 1.951 450 H ASN 137 H ASN 137 2.589 5.868 -2.175 451 HA ASN 137 HA ASN 137 -0.243 6.101 -1.475 452 1HB ASN 137 1HB ASN 137 -0.427 6.552 -4.001 453 2HB ASN 137 2HB ASN 137 0.473 7.714 -3.032 454 1HD2 ASN 137 1HD2 ASN 137 2.408 5.532 -5.868 455 2HD2 ASN 137 2HD2 ASN 137 0.758 5.288 -5.555 456 H TYR 138 H TYR 138 -1.510 5.132 -3.725 457 HA TYR 138 HA TYR 138 -1.450 2.253 -3.142 458 1HB TYR 138 1HB TYR 138 -3.220 3.922 -4.948 459 2HB TYR 138 2HB TYR 138 -3.443 2.206 -4.619 460 HD1 TYR 138 HD1 TYR 138 -2.504 4.996 -2.245 461 HD2 TYR 138 HD2 TYR 138 -5.396 2.050 -3.402 462 HE1 TYR 138 HE1 TYR 138 -3.815 5.519 -0.237 463 HE2 TYR 138 HE2 TYR 138 -6.725 2.591 -1.380 464 HH TYR 138 HH TYR 138 -5.707 5.168 0.841 465 H GLU 139 H GLU 139 -0.893 4.458 -5.808 466 HA GLU 139 HA GLU 139 -0.574 2.605 -7.878 467 1HB GLU 139 1HB GLU 139 1.279 4.968 -7.695 468 2HB GLU 139 2HB GLU 139 0.458 4.312 -9.111 469 1HG GLU 139 1HG GLU 139 -1.723 4.986 -7.789 470 2HG GLU 139 2HG GLU 139 -0.626 6.079 -6.941 471 H GLU 140 H GLU 140 1.622 3.498 -5.288 472 HA GLU 140 HA GLU 140 3.723 1.707 -6.413 473 1HB GLU 140 1HB GLU 140 3.711 3.811 -4.242 474 2HB GLU 140 2HB GLU 140 5.028 2.647 -4.384 475 1HG GLU 140 1HG GLU 140 4.105 4.323 -6.724 476 2HG GLU 140 2HG GLU 140 5.355 4.873 -5.607 477 H PHE 141 H PHE 141 1.496 2.121 -3.737 478 HA PHE 141 HA PHE 141 2.499 -0.077 -2.127 479 1HB PHE 141 1HB PHE 141 1.119 1.702 -1.158 480 2HB PHE 141 2HB PHE 141 -0.211 1.285 -2.231 481 HD1 PHE 141 HD1 PHE 141 2.112 -0.851 -0.220 482 HD2 PHE 141 HD2 PHE 141 -1.931 0.402 -0.937 483 HE1 PHE 141 HE1 PHE 141 1.297 -2.493 1.453 484 HE2 PHE 141 HE2 PHE 141 -2.739 -1.229 0.745 485 HZ PHE 141 HZ PHE 141 -1.122 -2.663 1.948 486 H VAL 142 H VAL 142 0.916 0.051 -5.108 487 HA VAL 142 HA VAL 142 -0.744 -2.309 -4.822 488 HB VAL 142 HB VAL 142 -1.337 -0.781 -6.579 489 1HG1 VAL 142 1HG1 VAL 142 1.458 -0.453 -6.809 490 2HG1 VAL 142 2HG1 VAL 142 0.917 -1.098 -8.358 491 3HG1 VAL 142 3HG1 VAL 142 0.204 0.384 -7.724 492 1HG2 VAL 142 1HG2 VAL 142 -1.384 -3.323 -7.019 493 2HG2 VAL 142 2HG2 VAL 142 -1.492 -2.265 -8.426 494 3HG2 VAL 142 3HG2 VAL 142 0.037 -3.050 -8.026 495 H GLN 143 H GLN 143 2.577 -1.714 -5.198 496 HA GLN 143 HA GLN 143 3.183 -4.350 -6.386 497 1HB GLN 143 1HB GLN 143 4.541 -2.201 -6.802 498 2HB GLN 143 2HB GLN 143 5.140 -2.391 -5.155 499 1HG GLN 143 1HG GLN 143 5.959 -4.659 -5.726 500 2HG GLN 143 2HG GLN 143 5.398 -4.431 -7.383 501 1HE2 GLN 143 1HE2 GLN 143 7.901 -1.463 -7.307 502 2HE2 GLN 143 2HE2 GLN 143 6.226 -1.428 -7.037 503 H MET 144 H MET 144 2.926 -2.732 -3.348 504 HA MET 144 HA MET 144 4.360 -4.620 -1.698 505 1HB MET 144 1HB MET 144 2.278 -2.490 -1.247 506 2HB MET 144 2HB MET 144 2.714 -3.582 0.063 507 1HG MET 144 1HG MET 144 3.977 -1.342 -0.131 508 2HG MET 144 2HG MET 144 4.921 -2.804 0.142 509 1HE MET 144 1HE MET 144 6.332 -3.768 -0.984 510 2HE MET 144 2HE MET 144 5.973 -4.148 -2.667 511 3HE MET 144 3HE MET 144 7.324 -3.085 -2.279 512 H MET 145 H MET 145 1.027 -4.199 -2.727 513 HA MET 145 HA MET 145 -0.286 -6.071 -1.162 514 1HB MET 145 1HB MET 145 -0.937 -6.121 -4.081 515 2HB MET 145 2HB MET 145 -2.018 -6.022 -2.698 516 1HG MET 145 1HG MET 145 -1.184 -3.663 -2.328 517 2HG MET 145 2HG MET 145 -0.330 -3.799 -3.864 518 1HE MET 145 1HE MET 145 -2.039 -1.753 -2.988 519 2HE MET 145 2HE MET 145 -2.490 -1.378 -4.649 520 3HE MET 145 3HE MET 145 -3.744 -1.690 -3.453 521 H THR 146 H THR 146 1.645 -6.669 -4.088 522 HA THR 146 HA THR 146 1.565 -9.583 -3.405 523 HB THR 146 HB THR 146 0.464 -9.319 -5.511 524 HG1 THR 146 HG1 THR 146 2.151 -10.168 -6.965 525 1HG2 THR 146 1HG2 THR 146 2.546 -7.235 -5.895 526 2HG2 THR 146 2HG2 THR 146 2.046 -8.118 -7.337 527 3HG2 THR 146 3HG2 THR 146 0.851 -7.237 -6.383 528 H ALA 147 H ALA 147 3.454 -7.908 -2.187 529 HA ALA 147 HA ALA 147 5.938 -7.892 -3.704 530 1HB ALA 147 1HB ALA 147 5.237 -7.390 -0.809 531 2HB ALA 147 2HB ALA 147 6.911 -7.420 -1.362 532 3HB ALA 147 3HB ALA 147 5.787 -6.229 -2.017 533 H LYS 148 H LYS 148 5.515 -9.420 -0.518 534 HA LYS 148 HA LYS 148 6.108 -12.085 -1.535 535 1HB LYS 148 1HB LYS 148 8.298 -12.352 -0.581 536 2HB LYS 148 2HB LYS 148 8.350 -10.892 -1.567 537 1HG LYS 148 1HG LYS 148 7.717 -9.647 0.621 538 2HG LYS 148 2HG LYS 148 8.231 -11.127 1.435 539 1HD LYS 148 1HD LYS 148 10.125 -9.604 1.312 540 2HD LYS 148 2HD LYS 148 10.421 -10.967 0.232 541 1HE LYS 148 1HE LYS 148 8.967 -8.795 -1.080 542 2HE LYS 148 2HE LYS 148 10.546 -8.287 -0.480 543 1HZ LYS 148 1HZ LYS 148 10.219 -10.799 -1.998 544 2HZ LYS 148 2HZ LYS 148 10.423 -9.313 -2.795 545 3HZ LYS 148 3HZ LYS 148 11.627 -9.889 -1.744 No H/Q in entry = 545 Start of MODEL 15 Raw file had 555 H/Q atoms Start of MODEL 15 1 1H MET 76 1H MET 76 -11.354 -3.378 -15.122 2 2H MET 76 2H MET 76 -12.501 -4.070 -14.077 3 3H MET 76 3H MET 76 -13.000 -2.996 -15.291 4 HA MET 76 HA MET 76 -13.039 -1.625 -13.469 5 1HB MET 76 1HB MET 76 -11.412 -3.655 -12.381 6 2HB MET 76 2HB MET 76 -10.473 -2.167 -12.245 7 1HG MET 76 1HG MET 76 -11.706 -1.859 -10.351 8 2HG MET 76 2HG MET 76 -12.930 -1.275 -11.480 9 1HE MET 76 1HE MET 76 -14.848 -1.934 -11.855 10 2HE MET 76 2HE MET 76 -15.733 -3.384 -11.365 11 3HE MET 76 3HE MET 76 -15.349 -2.141 -10.178 12 H LYS 77 H LYS 77 -11.856 0.412 -13.125 13 HA LYS 77 HA LYS 77 -9.621 0.805 -15.073 14 1HB LYS 77 1HB LYS 77 -12.096 1.762 -15.551 15 2HB LYS 77 2HB LYS 77 -11.473 3.077 -14.554 16 1HG LYS 77 1HG LYS 77 -10.204 3.836 -16.250 17 2HG LYS 77 2HG LYS 77 -9.468 2.246 -16.463 18 1HD LYS 77 1HD LYS 77 -10.542 2.615 -18.525 19 2HD LYS 77 2HD LYS 77 -11.700 1.618 -17.643 20 1HE LYS 77 1HE LYS 77 -13.055 3.505 -17.094 21 2HE LYS 77 2HE LYS 77 -11.801 4.640 -17.595 22 1HZ LYS 77 1HZ LYS 77 -12.102 3.310 -19.844 23 2HZ LYS 77 2HZ LYS 77 -13.662 3.088 -19.218 24 3HZ LYS 77 3HZ LYS 77 -13.060 4.658 -19.457 25 H ASP 78 H ASP 78 -7.885 1.901 -14.234 26 HA ASP 78 HA ASP 78 -6.570 3.077 -12.684 27 1HB ASP 78 1HB ASP 78 -8.734 4.619 -12.941 28 2HB ASP 78 2HB ASP 78 -8.992 4.112 -11.271 29 H THR 79 H THR 79 -8.158 0.434 -12.085 30 HA THR 79 HA THR 79 -7.182 0.257 -9.296 31 HB THR 79 HB THR 79 -10.040 -0.317 -10.130 32 HG1 THR 79 HG1 THR 79 -9.037 1.266 -8.014 33 1HG2 THR 79 1HG2 THR 79 -8.366 -1.374 -7.926 34 2HG2 THR 79 2HG2 THR 79 -9.966 -0.797 -7.461 35 3HG2 THR 79 3HG2 THR 79 -9.805 -2.062 -8.678 36 H ASP 80 H ASP 80 -5.635 -1.043 -10.693 37 HA ASP 80 HA ASP 80 -6.709 -3.615 -11.668 38 1HB ASP 80 1HB ASP 80 -4.846 -2.192 -12.798 39 2HB ASP 80 2HB ASP 80 -3.789 -2.879 -11.563 40 H SER 81 H SER 81 -7.284 -4.763 -9.805 41 HA SER 81 HA SER 81 -6.780 -6.367 -8.145 42 1HB SER 81 1HB SER 81 -3.930 -5.406 -8.060 43 2HB SER 81 2HB SER 81 -4.566 -7.012 -7.718 44 HG SER 81 HG SER 81 -4.655 -7.435 -9.809 45 H GLU 82 H GLU 82 -6.257 -3.006 -7.965 46 HA GLU 82 HA GLU 82 -5.803 -3.040 -5.044 47 1HB GLU 82 1HB GLU 82 -6.461 -0.454 -6.301 48 2HB GLU 82 2HB GLU 82 -5.110 -0.884 -5.253 49 1HG GLU 82 1HG GLU 82 -4.317 -2.239 -7.396 50 2HG GLU 82 2HG GLU 82 -5.327 -1.061 -8.235 51 H GLU 83 H GLU 83 -8.352 -3.932 -6.567 52 HA GLU 83 HA GLU 83 -10.422 -2.081 -5.809 53 1HB GLU 83 1HB GLU 83 -11.968 -3.817 -6.389 54 2HB GLU 83 2HB GLU 83 -10.624 -3.943 -7.526 55 1HG GLU 83 1HG GLU 83 -9.665 -5.524 -5.607 56 2HG GLU 83 2HG GLU 83 -11.381 -5.741 -5.280 57 H GLU 84 H GLU 84 -8.769 -4.705 -4.187 58 HA GLU 84 HA GLU 84 -10.569 -4.419 -1.833 59 1HB GLU 84 1HB GLU 84 -9.992 -6.715 -2.727 60 2HB GLU 84 2HB GLU 84 -8.319 -6.408 -2.258 61 1HG GLU 84 1HG GLU 84 -10.364 -5.892 -0.170 62 2HG GLU 84 2HG GLU 84 -10.121 -7.582 -0.610 63 H ILE 85 H ILE 85 -7.321 -3.814 -2.971 64 HA ILE 85 HA ILE 85 -6.091 -3.332 -0.413 65 HB ILE 85 HB ILE 85 -5.455 -2.386 -3.220 66 1HG1 ILE 85 1HG1 ILE 85 -3.378 -3.922 -2.283 67 2HG1 ILE 85 2HG1 ILE 85 -4.765 -4.686 -1.508 68 1HG2 ILE 85 1HG2 ILE 85 -4.458 -1.429 -0.650 69 2HG2 ILE 85 2HG2 ILE 85 -3.164 -2.093 -1.654 70 3HG2 ILE 85 3HG2 ILE 85 -4.180 -0.785 -2.267 71 1HD1 ILE 85 1HD1 ILE 85 -5.869 -4.591 -3.849 72 2HD1 ILE 85 2HD1 ILE 85 -4.236 -4.304 -4.451 73 3HD1 ILE 85 3HD1 ILE 85 -4.608 -5.795 -3.586 74 H ARG 86 H ARG 86 -7.292 -1.024 -2.885 75 HA ARG 86 HA ARG 86 -7.000 1.367 -1.625 76 1HB ARG 86 1HB ARG 86 -8.421 0.527 -3.780 77 2HB ARG 86 2HB ARG 86 -9.732 0.955 -2.679 78 1HG ARG 86 1HG ARG 86 -7.402 2.752 -3.356 79 2HG ARG 86 2HG ARG 86 -8.992 2.865 -4.102 80 1HD ARG 86 1HD ARG 86 -9.371 2.791 -1.272 81 2HD ARG 86 2HD ARG 86 -8.126 3.993 -1.614 82 HE ARG 86 HE ARG 86 -9.908 5.343 -2.333 83 1HH1 ARG 86 1HH1 ARG 86 -11.596 2.673 -1.715 84 2HH1 ARG 86 2HH1 ARG 86 -12.596 2.683 -3.129 85 1HH2 ARG 86 1HH2 ARG 86 -10.716 5.092 -4.767 86 2HH2 ARG 86 2HH2 ARG 86 -12.098 4.051 -4.856 87 H GLU 87 H GLU 87 -9.701 -0.888 -0.997 88 HA GLU 87 HA GLU 87 -10.963 0.733 0.987 89 1HB GLU 87 1HB GLU 87 -12.206 -1.117 0.100 90 2HB GLU 87 2HB GLU 87 -10.935 -2.263 0.527 91 1HG GLU 87 1HG GLU 87 -11.382 -2.040 2.859 92 2HG GLU 87 2HG GLU 87 -12.395 -0.619 2.601 93 H ALA 88 H ALA 88 -8.708 -2.017 1.372 94 HA ALA 88 HA ALA 88 -8.310 -1.329 4.207 95 1HB ALA 88 1HB ALA 88 -8.149 -3.684 2.790 96 2HB ALA 88 2HB ALA 88 -6.452 -3.242 2.958 97 3HB ALA 88 3HB ALA 88 -7.462 -3.430 4.392 98 H PHE 89 H PHE 89 -7.606 0.861 3.476 99 HA PHE 89 HA PHE 89 -4.870 1.372 3.797 100 1HB PHE 89 1HB PHE 89 -5.165 0.212 1.337 101 2HB PHE 89 2HB PHE 89 -5.413 1.902 0.926 102 HD1 PHE 89 HD1 PHE 89 -3.140 0.246 3.441 103 HD2 PHE 89 HD2 PHE 89 -3.472 2.724 -0.041 104 HE1 PHE 89 HE1 PHE 89 -0.685 0.601 3.439 105 HE2 PHE 89 HE2 PHE 89 -1.046 3.081 -0.041 106 HZ PHE 89 HZ PHE 89 0.361 2.000 1.688 107 H ARG 90 H ARG 90 -7.938 2.165 2.325 108 HA ARG 90 HA ARG 90 -7.551 5.018 2.203 109 1HB ARG 90 1HB ARG 90 -9.834 5.115 1.568 110 2HB ARG 90 2HB ARG 90 -9.289 3.561 0.934 111 1HG ARG 90 1HG ARG 90 -10.199 2.411 2.896 112 2HG ARG 90 2HG ARG 90 -10.709 3.953 3.584 113 1HD ARG 90 1HD ARG 90 -11.875 2.408 1.313 114 2HD ARG 90 2HD ARG 90 -12.686 3.352 2.561 115 HE ARG 90 HE ARG 90 -11.325 4.558 0.186 116 1HH1 ARG 90 1HH1 ARG 90 -11.578 6.747 1.866 117 2HH1 ARG 90 2HH1 ARG 90 -13.229 7.261 1.761 118 1HH2 ARG 90 1HH2 ARG 90 -14.354 4.268 0.419 119 2HH2 ARG 90 2HH2 ARG 90 -14.801 5.857 0.943 120 H VAL 91 H VAL 91 -7.796 2.858 4.726 121 HA VAL 91 HA VAL 91 -9.430 4.416 6.529 122 HB VAL 91 HB VAL 91 -7.377 2.528 7.591 123 1HG1 VAL 91 1HG1 VAL 91 -10.111 3.481 8.206 124 2HG1 VAL 91 2HG1 VAL 91 -9.818 1.775 8.545 125 3HG1 VAL 91 3HG1 VAL 91 -8.809 3.009 9.298 126 1HG2 VAL 91 1HG2 VAL 91 -9.513 1.809 5.609 127 2HG2 VAL 91 2HG2 VAL 91 -7.889 1.145 5.794 128 3HG2 VAL 91 3HG2 VAL 91 -9.163 0.689 6.926 129 H PHE 92 H PHE 92 -6.200 4.593 5.403 130 HA PHE 92 HA PHE 92 -5.422 6.268 7.738 131 1HB PHE 92 1HB PHE 92 -3.735 4.886 5.661 132 2HB PHE 92 2HB PHE 92 -3.111 5.952 6.914 133 HD1 PHE 92 HD1 PHE 92 -3.170 5.344 9.256 134 HD2 PHE 92 HD2 PHE 92 -4.642 2.675 6.234 135 HE1 PHE 92 HE1 PHE 92 -3.161 3.479 10.900 136 HE2 PHE 92 HE2 PHE 92 -4.635 0.810 7.874 137 HZ PHE 92 HZ PHE 92 -3.896 1.214 10.206 138 H ASP 93 H ASP 93 -5.433 6.228 4.162 139 HA ASP 93 HA ASP 93 -4.172 8.600 3.555 140 1HB ASP 93 1HB ASP 93 -5.712 8.815 1.642 141 2HB ASP 93 2HB ASP 93 -5.224 7.131 1.869 142 H LYS 94 H LYS 94 -4.363 10.014 5.308 143 HA LYS 94 HA LYS 94 -6.472 10.962 6.729 144 1HB LYS 94 1HB LYS 94 -4.331 12.692 5.466 145 2HB LYS 94 2HB LYS 94 -5.332 13.152 6.845 146 1HG LYS 94 1HG LYS 94 -4.320 11.596 8.270 147 2HG LYS 94 2HG LYS 94 -3.765 10.582 6.937 148 1HD LYS 94 1HD LYS 94 -2.676 13.303 6.831 149 2HD LYS 94 2HD LYS 94 -2.216 12.436 8.297 150 1HE LYS 94 1HE LYS 94 -1.189 10.687 7.079 151 2HE LYS 94 2HE LYS 94 -2.000 11.141 5.580 152 1HZ LYS 94 1HZ LYS 94 -0.384 13.233 6.728 153 2HZ LYS 94 2HZ LYS 94 0.505 11.862 6.261 154 3HZ LYS 94 3HZ LYS 94 -0.463 12.677 5.127 155 H ASP 95 H ASP 95 -5.988 11.578 3.306 156 HA ASP 95 HA ASP 95 -8.719 12.679 3.193 157 1HB ASP 95 1HB ASP 95 -6.478 14.416 3.286 158 2HB ASP 95 2HB ASP 95 -7.054 14.423 1.619 159 H GLY 96 H GLY 96 -7.995 10.276 2.175 160 1HA GLY 96 1HA GLY 96 -7.707 9.031 0.187 161 2HA GLY 96 2HA GLY 96 -8.784 10.262 -0.480 162 H ASN 97 H ASN 97 -5.480 10.658 0.762 163 HA ASN 97 HA ASN 97 -4.763 12.143 -1.669 164 1HB ASN 97 1HB ASN 97 -2.500 12.271 -0.485 165 2HB ASN 97 2HB ASN 97 -3.855 13.013 0.366 166 1HD2 ASN 97 1HD2 ASN 97 -2.498 11.055 3.071 167 2HD2 ASN 97 2HD2 ASN 97 -2.410 12.587 2.345 168 H GLY 98 H GLY 98 -4.631 8.908 -0.596 169 1HA GLY 98 1HA GLY 98 -4.018 7.076 -2.028 170 2HA GLY 98 2HA GLY 98 -3.034 8.189 -2.984 171 H TYR 99 H TYR 99 -1.287 9.317 -1.394 172 HA TYR 99 HA TYR 99 0.283 7.046 -0.388 173 1HB TYR 99 1HB TYR 99 2.140 8.476 -0.461 174 2HB TYR 99 2HB TYR 99 1.139 9.100 -1.770 175 HD1 TYR 99 HD1 TYR 99 2.076 9.604 1.792 176 HD2 TYR 99 HD2 TYR 99 0.219 11.302 -1.687 177 HE1 TYR 99 HE1 TYR 99 1.989 11.809 2.918 178 HE2 TYR 99 HE2 TYR 99 0.132 13.511 -0.563 179 HH TYR 99 HH TYR 99 0.489 14.625 1.327 180 H ILE 100 H ILE 100 0.410 6.493 1.724 181 HA ILE 100 HA ILE 100 -0.724 8.437 3.677 182 HB ILE 100 HB ILE 100 -0.599 5.852 4.855 183 1HG1 ILE 100 1HG1 ILE 100 -2.482 5.017 3.047 184 2HG1 ILE 100 2HG1 ILE 100 -1.279 5.731 1.978 185 1HG2 ILE 100 1HG2 ILE 100 -2.571 7.912 4.117 186 2HG2 ILE 100 2HG2 ILE 100 -3.234 6.292 4.331 187 3HG2 ILE 100 3HG2 ILE 100 -2.348 7.066 5.646 188 1HD1 ILE 100 1HD1 ILE 100 0.109 4.298 3.976 189 2HD1 ILE 100 2HD1 ILE 100 -1.183 3.266 3.388 190 3HD1 ILE 100 3HD1 ILE 100 -0.005 3.935 2.255 191 H SER 101 H SER 101 1.360 5.559 4.171 192 HA SER 101 HA SER 101 3.789 6.913 4.619 193 1HB SER 101 1HB SER 101 1.846 7.347 6.688 194 2HB SER 101 2HB SER 101 3.170 6.388 7.341 195 HG SER 101 HG SER 101 3.584 8.701 5.761 196 H ALA 102 H ALA 102 5.284 5.497 6.084 197 HA ALA 102 HA ALA 102 5.049 2.759 5.221 198 1HB ALA 102 1HB ALA 102 6.857 4.259 7.089 199 2HB ALA 102 2HB ALA 102 6.870 2.496 7.127 200 3HB ALA 102 3HB ALA 102 7.266 3.350 5.635 201 H ALA 103 H ALA 103 4.745 4.243 8.459 202 HA ALA 103 HA ALA 103 3.952 1.980 9.887 203 1HB ALA 103 1HB ALA 103 3.951 4.771 10.326 204 2HB ALA 103 2HB ALA 103 2.307 4.228 10.660 205 3HB ALA 103 3HB ALA 103 3.665 3.508 11.523 206 H GLU 104 H GLU 104 2.227 3.727 7.427 207 HA GLU 104 HA GLU 104 -0.408 2.727 8.130 208 1HB GLU 104 1HB GLU 104 0.818 4.213 5.873 209 2HB GLU 104 2HB GLU 104 -0.615 3.255 5.484 210 1HG GLU 104 1HG GLU 104 -1.643 5.194 6.171 211 2HG GLU 104 2HG GLU 104 -1.508 4.388 7.732 212 H LEU 105 H LEU 105 2.014 1.834 5.670 213 HA LEU 105 HA LEU 105 0.582 -0.367 4.603 214 1HB LEU 105 1HB LEU 105 3.097 0.826 4.224 215 2HB LEU 105 2HB LEU 105 3.408 -0.874 4.584 216 HG LEU 105 HG LEU 105 1.157 -0.822 2.879 217 1HD1 LEU 105 1HD1 LEU 105 2.413 1.555 2.486 218 2HD1 LEU 105 2HD1 LEU 105 3.304 0.534 1.355 219 3HD1 LEU 105 3HD1 LEU 105 1.552 0.688 1.216 220 1HD2 LEU 105 1HD2 LEU 105 4.068 -1.580 2.558 221 2HD2 LEU 105 2HD2 LEU 105 2.691 -2.640 2.843 222 3HD2 LEU 105 3HD2 LEU 105 2.886 -1.851 1.277 223 H ARG 106 H ARG 106 3.140 -0.326 7.112 224 HA ARG 106 HA ARG 106 3.191 -3.081 7.663 225 1HB ARG 106 1HB ARG 106 3.802 -2.391 10.015 226 2HB ARG 106 2HB ARG 106 4.763 -1.621 8.756 227 1HG ARG 106 1HG ARG 106 4.230 0.236 9.974 228 2HG ARG 106 2HG ARG 106 2.813 0.198 8.925 229 1HD ARG 106 1HD ARG 106 1.440 -0.205 10.673 230 2HD ARG 106 2HD ARG 106 2.465 -1.518 11.251 231 HE ARG 106 HE ARG 106 3.277 1.287 11.822 232 1HH1 ARG 106 1HH1 ARG 106 4.921 0.181 13.495 233 2HH1 ARG 106 2HH1 ARG 106 4.064 -0.436 14.868 234 1HH2 ARG 106 1HH2 ARG 106 0.973 -0.375 13.300 235 2HH2 ARG 106 2HH2 ARG 106 1.828 -0.751 14.758 236 H HIS 107 H HIS 107 0.961 -0.636 8.924 237 HA HIS 107 HA HIS 107 -0.477 -2.502 10.614 238 1HB HIS 107 1HB HIS 107 -0.517 -0.135 11.148 239 2HB HIS 107 2HB HIS 107 -1.218 0.246 9.574 240 HD1 HIS 107 HD1 HIS 107 -2.217 -0.206 12.952 241 HD2 HIS 107 HD2 HIS 107 -3.851 -1.383 9.297 242 HE1 HIS 107 HE1 HIS 107 -4.656 -0.724 13.390 243 H VAL 108 H VAL 108 -0.842 -1.472 7.263 244 HA VAL 108 HA VAL 108 -3.473 -2.799 7.142 245 HB VAL 108 HB VAL 108 -3.342 -2.086 4.661 246 1HG1 VAL 108 1HG1 VAL 108 -4.319 -0.903 6.943 247 2HG1 VAL 108 2HG1 VAL 108 -3.328 0.384 6.257 248 3HG1 VAL 108 3HG1 VAL 108 -4.624 -0.334 5.302 249 1HG2 VAL 108 1HG2 VAL 108 -0.753 -1.302 5.490 250 2HG2 VAL 108 2HG2 VAL 108 -1.530 -0.984 3.948 251 3HG2 VAL 108 3HG2 VAL 108 -1.674 0.181 5.264 252 H MET 109 H MET 109 -0.584 -3.041 4.982 253 HA MET 109 HA MET 109 -1.286 -5.359 3.694 254 1HB MET 109 1HB MET 109 1.160 -3.988 4.156 255 2HB MET 109 2HB MET 109 1.453 -5.718 4.384 256 1HG MET 109 1HG MET 109 0.470 -6.234 2.238 257 2HG MET 109 2HG MET 109 -0.056 -4.563 2.028 258 1HE MET 109 1HE MET 109 0.589 -4.101 0.142 259 2HE MET 109 2HE MET 109 2.200 -3.642 -0.429 260 3HE MET 109 3HE MET 109 1.645 -5.305 -0.578 261 H THR 110 H THR 110 -0.553 -5.155 7.090 262 HA THR 110 HA THR 110 -0.157 -8.059 7.329 263 HB THR 110 HB THR 110 1.021 -6.514 8.862 264 HG1 THR 110 HG1 THR 110 0.375 -8.627 9.559 265 1HG2 THR 110 1HG2 THR 110 -1.171 -5.005 8.830 266 2HG2 THR 110 2HG2 THR 110 -1.541 -5.938 10.279 267 3HG2 THR 110 3HG2 THR 110 -0.062 -4.981 10.200 268 H ASN 111 H ASN 111 -2.717 -6.971 6.207 269 HA ASN 111 HA ASN 111 -4.518 -8.717 7.593 270 1HB ASN 111 1HB ASN 111 -6.142 -6.642 8.053 271 2HB ASN 111 2HB ASN 111 -5.014 -7.230 9.270 272 1HD2 ASN 111 1HD2 ASN 111 -4.725 -3.435 8.331 273 2HD2 ASN 111 2HD2 ASN 111 -6.125 -4.395 8.259 274 H LEU 112 H LEU 112 -4.025 -6.117 5.243 275 HA LEU 112 HA LEU 112 -6.462 -6.088 3.894 276 1HB LEU 112 1HB LEU 112 -3.858 -6.292 2.373 277 2HB LEU 112 2HB LEU 112 -5.303 -5.394 1.933 278 HG LEU 112 HG LEU 112 -3.093 -4.646 3.791 279 1HD1 LEU 112 1HD1 LEU 112 -4.949 -3.216 1.883 280 2HD1 LEU 112 2HD1 LEU 112 -3.753 -2.386 2.876 281 3HD1 LEU 112 3HD1 LEU 112 -3.234 -3.558 1.666 282 1HD2 LEU 112 1HD2 LEU 112 -5.940 -4.439 4.529 283 2HD2 LEU 112 2HD2 LEU 112 -4.511 -4.229 5.529 284 3HD2 LEU 112 3HD2 LEU 112 -5.098 -2.894 4.542 285 H GLY 113 H GLY 113 -4.133 -8.641 4.125 286 1HA GLY 113 1HA GLY 113 -5.581 -10.841 3.602 287 2HA GLY 113 2HA GLY 113 -5.394 -10.212 1.962 288 H GLU 114 H GLU 114 -2.720 -9.053 2.850 289 HA GLU 114 HA GLU 114 -1.101 -11.326 2.029 290 1HB GLU 114 1HB GLU 114 -0.288 -8.595 3.083 291 2HB GLU 114 2HB GLU 114 0.791 -9.755 2.304 292 1HG GLU 114 1HG GLU 114 0.226 -8.433 0.483 293 2HG GLU 114 2HG GLU 114 -1.031 -9.666 0.380 294 H LYS 115 H LYS 115 -1.493 -9.462 5.043 295 HA LYS 115 HA LYS 115 -0.803 -9.954 7.237 296 1HB LYS 115 1HB LYS 115 -2.533 -11.841 6.476 297 2HB LYS 115 2HB LYS 115 -1.112 -12.869 6.665 298 1HG LYS 115 1HG LYS 115 -0.789 -11.899 8.957 299 2HG LYS 115 2HG LYS 115 -2.321 -11.045 8.762 300 1HD LYS 115 1HD LYS 115 -1.914 -14.050 8.711 301 2HD LYS 115 2HD LYS 115 -2.725 -13.120 9.972 302 1HE LYS 115 1HE LYS 115 -3.624 -13.428 7.092 303 2HE LYS 115 2HE LYS 115 -4.413 -14.101 8.520 304 1HZ LYS 115 1HZ LYS 115 -4.620 -11.746 9.318 305 2HZ LYS 115 2HZ LYS 115 -4.145 -11.248 7.768 306 3HZ LYS 115 3HZ LYS 115 -5.575 -12.145 7.971 307 H LEU 116 H LEU 116 1.447 -9.364 6.796 308 HA LEU 116 HA LEU 116 3.221 -11.762 6.686 309 1HB LEU 116 1HB LEU 116 4.911 -10.209 5.620 310 2HB LEU 116 2HB LEU 116 3.495 -10.532 4.622 311 HG LEU 116 HG LEU 116 3.503 -8.155 6.471 312 1HD1 LEU 116 1HD1 LEU 116 5.309 -8.586 4.248 313 2HD1 LEU 116 2HD1 LEU 116 4.207 -7.254 3.894 314 3HD1 LEU 116 3HD1 LEU 116 5.207 -7.210 5.346 315 1HD2 LEU 116 1HD2 LEU 116 1.882 -9.252 4.294 316 2HD2 LEU 116 2HD2 LEU 116 1.462 -8.029 5.494 317 3HD2 LEU 116 3HD2 LEU 116 2.308 -7.562 4.020 318 H THR 117 H THR 117 5.106 -9.074 7.111 319 HA THR 117 HA THR 117 4.815 -9.166 10.075 320 HB THR 117 HB THR 117 6.792 -10.450 9.494 321 HG1 THR 117 HG1 THR 117 8.396 -8.987 10.413 322 1HG2 THR 117 1HG2 THR 117 7.234 -8.109 7.684 323 2HG2 THR 117 2HG2 THR 117 8.627 -9.027 8.258 324 3HG2 THR 117 3HG2 THR 117 7.361 -9.830 7.328 325 H ASP 118 H ASP 118 5.727 -7.150 11.115 326 HA ASP 118 HA ASP 118 4.971 -4.824 9.464 327 1HB ASP 118 1HB ASP 118 5.720 -5.061 12.394 328 2HB ASP 118 2HB ASP 118 5.200 -3.570 11.611 329 H GLU 119 H GLU 119 7.803 -6.510 9.986 330 HA GLU 119 HA GLU 119 9.475 -4.052 9.937 331 1HB GLU 119 1HB GLU 119 11.392 -5.604 10.242 332 2HB GLU 119 2HB GLU 119 10.191 -5.784 11.520 333 1HG GLU 119 1HG GLU 119 10.128 -7.982 11.028 334 2HG GLU 119 2HG GLU 119 9.367 -7.551 9.496 335 H GLU 120 H GLU 120 8.574 -6.831 7.970 336 HA GLU 120 HA GLU 120 10.463 -6.105 5.859 337 1HB GLU 120 1HB GLU 120 9.860 -8.078 4.856 338 2HB GLU 120 2HB GLU 120 9.267 -8.450 6.471 339 1HG GLU 120 1HG GLU 120 7.010 -7.802 5.859 340 2HG GLU 120 2HG GLU 120 7.561 -7.206 4.292 341 H VAL 121 H VAL 121 6.930 -5.923 6.337 342 HA VAL 121 HA VAL 121 6.254 -4.608 3.929 343 HB VAL 121 HB VAL 121 4.477 -5.314 5.402 344 1HG1 VAL 121 1HG1 VAL 121 6.138 -4.663 7.438 345 2HG1 VAL 121 2HG1 VAL 121 5.040 -3.284 7.487 346 3HG1 VAL 121 3HG1 VAL 121 4.406 -4.923 7.648 347 1HG2 VAL 121 1HG2 VAL 121 4.491 -2.892 4.201 348 2HG2 VAL 121 2HG2 VAL 121 3.106 -3.501 5.107 349 3HG2 VAL 121 3HG2 VAL 121 4.243 -2.391 5.873 350 H ASP 122 H ASP 122 7.358 -3.284 7.046 351 HA ASP 122 HA ASP 122 7.299 -0.532 6.236 352 1HB ASP 122 1HB ASP 122 7.549 -1.509 8.613 353 2HB ASP 122 2HB ASP 122 9.259 -1.689 8.223 354 H GLU 123 H GLU 123 9.900 -2.976 6.185 355 HA GLU 123 HA GLU 123 11.799 -1.131 4.972 356 1HB GLU 123 1HB GLU 123 11.837 -3.830 6.015 357 2HB GLU 123 2HB GLU 123 12.612 -3.779 4.431 358 1HG GLU 123 1HG GLU 123 14.353 -3.271 5.961 359 2HG GLU 123 2HG GLU 123 13.868 -1.707 5.303 360 H MET 124 H MET 124 9.051 -2.539 3.797 361 HA MET 124 HA MET 124 10.127 -3.122 1.103 362 1HB MET 124 1HB MET 124 8.117 -4.295 2.514 363 2HB MET 124 2HB MET 124 7.199 -3.134 1.554 364 1HG MET 124 1HG MET 124 9.212 -5.093 0.413 365 2HG MET 124 2HG MET 124 7.465 -5.332 0.400 366 1HE MET 124 1HE MET 124 9.579 -5.376 -1.800 367 2HE MET 124 2HE MET 124 9.459 -4.119 -3.038 368 3HE MET 124 3HE MET 124 10.460 -3.861 -1.611 369 H ILE 125 H ILE 125 8.398 -0.632 2.853 370 HA ILE 125 HA ILE 125 7.295 0.714 0.564 371 HB ILE 125 HB ILE 125 7.656 1.270 3.433 372 1HG1 ILE 125 1HG1 ILE 125 5.494 2.678 2.469 373 2HG1 ILE 125 2HG1 ILE 125 5.664 1.371 1.294 374 1HG2 ILE 125 1HG2 ILE 125 7.633 3.606 1.491 375 2HG2 ILE 125 2HG2 ILE 125 7.422 3.722 3.238 376 3HG2 ILE 125 3HG2 ILE 125 8.964 3.186 2.569 377 1HD1 ILE 125 1HD1 ILE 125 6.029 0.004 3.623 378 2HD1 ILE 125 2HD1 ILE 125 4.898 1.250 4.152 379 3HD1 ILE 125 3HD1 ILE 125 4.471 0.177 2.822 380 H ARG 126 H ARG 126 10.428 0.966 2.238 381 HA ARG 126 HA ARG 126 11.517 3.189 0.948 382 1HB ARG 126 1HB ARG 126 13.724 1.879 0.997 383 2HB ARG 126 2HB ARG 126 12.898 2.063 2.544 384 1HG ARG 126 1HG ARG 126 11.824 -0.199 2.121 385 2HG ARG 126 2HG ARG 126 12.913 -0.374 0.747 386 1HD ARG 126 1HD ARG 126 13.592 -1.302 3.137 387 2HD ARG 126 2HD ARG 126 14.796 -0.555 2.087 388 HE ARG 126 HE ARG 126 14.922 1.254 3.605 389 1HH1 ARG 126 1HH1 ARG 126 11.711 1.062 3.583 390 2HH1 ARG 126 2HH1 ARG 126 11.452 1.083 5.295 391 1HH2 ARG 126 1HH2 ARG 126 14.784 0.531 6.075 392 2HH2 ARG 126 2HH2 ARG 126 13.191 0.782 6.705 393 H GLU 127 H GLU 127 10.570 0.135 -0.369 394 HA GLU 127 HA GLU 127 12.043 0.413 -2.870 395 1HB GLU 127 1HB GLU 127 11.451 -1.805 -1.967 396 2HB GLU 127 2HB GLU 127 9.737 -1.400 -2.099 397 1HG GLU 127 1HG GLU 127 10.128 -2.591 -4.083 398 2HG GLU 127 2HG GLU 127 10.302 -0.915 -4.605 399 H ALA 128 H ALA 128 8.629 0.891 -1.820 400 HA ALA 128 HA ALA 128 7.966 1.841 -4.542 401 1HB ALA 128 1HB ALA 128 6.487 0.423 -2.838 402 2HB ALA 128 2HB ALA 128 6.029 2.031 -2.275 403 3HB ALA 128 3HB ALA 128 5.746 1.569 -3.955 404 H ASP 129 H ASP 129 7.658 3.184 -1.229 405 HA ASP 129 HA ASP 129 6.950 5.796 -1.917 406 1HB ASP 129 1HB ASP 129 6.988 5.091 0.400 407 2HB ASP 129 2HB ASP 129 8.735 4.851 0.338 408 H ILE 130 H ILE 130 10.300 5.039 -0.950 409 HA ILE 130 HA ILE 130 12.281 6.176 -1.534 410 HB ILE 130 HB ILE 130 12.769 6.102 -3.952 411 1HG1 ILE 130 1HG1 ILE 130 9.886 5.221 -4.269 412 2HG1 ILE 130 2HG1 ILE 130 10.472 6.833 -4.675 413 1HG2 ILE 130 1HG2 ILE 130 11.292 3.708 -2.828 414 2HG2 ILE 130 2HG2 ILE 130 12.277 3.655 -4.290 415 3HG2 ILE 130 3HG2 ILE 130 13.024 4.030 -2.737 416 1HD1 ILE 130 1HD1 ILE 130 12.292 5.238 -5.971 417 2HD1 ILE 130 2HD1 ILE 130 10.811 4.293 -6.127 418 3HD1 ILE 130 3HD1 ILE 130 10.867 5.949 -6.729 419 H ASP 131 H ASP 131 10.673 8.056 -0.590 420 HA ASP 131 HA ASP 131 10.019 10.306 -0.732 421 1HB ASP 131 1HB ASP 131 12.663 10.023 -2.054 422 2HB ASP 131 2HB ASP 131 11.803 11.533 -2.358 423 H GLY 132 H GLY 132 11.382 10.495 -3.944 424 1HA GLY 132 1HA GLY 132 10.317 11.256 -5.919 425 2HA GLY 132 2HA GLY 132 9.347 9.805 -5.662 426 H ASP 133 H ASP 133 7.223 10.045 -5.059 427 HA ASP 133 HA ASP 133 6.264 12.847 -4.670 428 1HB ASP 133 1HB ASP 133 4.134 12.119 -5.512 429 2HB ASP 133 2HB ASP 133 5.352 11.455 -6.602 430 H GLY 134 H GLY 134 3.671 11.636 -3.658 431 1HA GLY 134 1HA GLY 134 4.039 11.925 -0.903 432 2HA GLY 134 2HA GLY 134 2.753 10.937 -1.602 433 H GLN 135 H GLN 135 4.038 10.193 0.809 434 HA GLN 135 HA GLN 135 6.238 8.488 0.690 435 1HB GLN 135 1HB GLN 135 3.654 8.231 2.243 436 2HB GLN 135 2HB GLN 135 5.005 7.119 2.471 437 1HG GLN 135 1HG GLN 135 5.676 10.012 2.515 438 2HG GLN 135 2HG GLN 135 4.737 9.412 3.882 439 1HE2 GLN 135 1HE2 GLN 135 8.646 8.687 3.845 440 2HE2 GLN 135 2HE2 GLN 135 7.884 9.892 2.924 441 H VAL 136 H VAL 136 3.314 6.608 1.095 442 HA VAL 136 HA VAL 136 4.026 5.158 -1.419 443 HB VAL 136 HB VAL 136 4.545 3.543 0.138 444 1HG1 VAL 136 1HG1 VAL 136 3.937 5.117 2.035 445 2HG1 VAL 136 2HG1 VAL 136 2.299 4.469 1.944 446 3HG1 VAL 136 3HG1 VAL 136 3.646 3.409 2.362 447 1HG2 VAL 136 1HG2 VAL 136 2.237 3.065 -1.183 448 2HG2 VAL 136 2HG2 VAL 136 2.959 1.899 -0.080 449 3HG2 VAL 136 3HG2 VAL 136 1.652 2.942 0.476 450 H ASN 137 H ASN 137 2.466 5.816 -2.866 451 HA ASN 137 HA ASN 137 -0.248 6.363 -1.969 452 1HB ASN 137 1HB ASN 137 -0.682 6.419 -4.507 453 2HB ASN 137 2HB ASN 137 0.411 7.632 -3.850 454 1HD2 ASN 137 1HD2 ASN 137 1.792 4.945 -6.544 455 2HD2 ASN 137 2HD2 ASN 137 0.163 4.970 -6.067 456 H TYR 138 H TYR 138 -1.829 5.104 -3.870 457 HA TYR 138 HA TYR 138 -1.801 2.371 -2.784 458 1HB TYR 138 1HB TYR 138 -3.721 3.912 -4.538 459 2HB TYR 138 2HB TYR 138 -3.942 2.209 -4.153 460 HD1 TYR 138 HD1 TYR 138 -2.577 4.911 -1.959 461 HD2 TYR 138 HD2 TYR 138 -5.789 2.199 -2.742 462 HE1 TYR 138 HE1 TYR 138 -3.608 5.539 0.200 463 HE2 TYR 138 HE2 TYR 138 -6.838 2.826 -0.575 464 HH TYR 138 HH TYR 138 -5.352 5.293 1.527 465 H GLU 139 H GLU 139 -1.434 4.013 -5.867 466 HA GLU 139 HA GLU 139 -1.365 1.668 -7.470 467 1HB GLU 139 1HB GLU 139 0.383 3.945 -8.272 468 2HB GLU 139 2HB GLU 139 -0.801 3.056 -9.226 469 1HG GLU 139 1HG GLU 139 -2.554 4.200 -7.663 470 2HG GLU 139 2HG GLU 139 -1.245 5.328 -7.303 471 H GLU 140 H GLU 140 0.959 3.170 -5.378 472 HA GLU 140 HA GLU 140 3.119 1.396 -6.390 473 1HB GLU 140 1HB GLU 140 4.616 2.964 -5.657 474 2HB GLU 140 2HB GLU 140 3.220 4.035 -5.737 475 1HG GLU 140 1HG GLU 140 2.775 3.710 -3.368 476 2HG GLU 140 2HG GLU 140 4.076 2.523 -3.255 477 H PHE 141 H PHE 141 0.925 1.872 -3.768 478 HA PHE 141 HA PHE 141 2.250 0.363 -1.722 479 1HB PHE 141 1HB PHE 141 0.363 1.751 -1.150 480 2HB PHE 141 2HB PHE 141 -0.671 0.920 -2.309 481 HD1 PHE 141 HD1 PHE 141 1.727 -1.030 -0.359 482 HD2 PHE 141 HD2 PHE 141 -2.303 0.427 -0.522 483 HE1 PHE 141 HE1 PHE 141 1.073 -2.629 1.414 484 HE2 PHE 141 HE2 PHE 141 -2.957 -1.154 1.270 485 HZ PHE 141 HZ PHE 141 -1.270 -2.699 2.228 486 H VAL 142 H VAL 142 0.101 -0.537 -4.389 487 HA VAL 142 HA VAL 142 -0.180 -3.300 -3.624 488 HB VAL 142 HB VAL 142 -1.798 -2.414 -5.144 489 1HG1 VAL 142 1HG1 VAL 142 0.638 -1.447 -6.614 490 2HG1 VAL 142 2HG1 VAL 142 -0.871 -1.691 -7.494 491 3HG1 VAL 142 3HG1 VAL 142 -0.808 -0.551 -6.149 492 1HG2 VAL 142 1HG2 VAL 142 -0.870 -4.762 -5.595 493 2HG2 VAL 142 2HG2 VAL 142 -1.720 -3.993 -6.934 494 3HG2 VAL 142 3HG2 VAL 142 0.043 -4.034 -6.916 495 H GLN 143 H GLN 143 2.501 -1.574 -4.669 496 HA GLN 143 HA GLN 143 3.692 -3.631 -6.360 497 1HB GLN 143 1HB GLN 143 4.398 -1.355 -6.721 498 2HB GLN 143 2HB GLN 143 4.818 -1.159 -5.020 499 1HG GLN 143 1HG GLN 143 6.525 -2.982 -5.295 500 2HG GLN 143 2HG GLN 143 6.178 -2.978 -7.025 501 1HE2 GLN 143 1HE2 GLN 143 7.570 0.377 -7.450 502 2HE2 GLN 143 2HE2 GLN 143 6.220 -0.528 -7.941 503 H MET 144 H MET 144 3.531 -2.958 -2.948 504 HA MET 144 HA MET 144 5.856 -4.620 -2.302 505 1HB MET 144 1HB MET 144 3.942 -4.227 -0.118 506 2HB MET 144 2HB MET 144 5.650 -3.809 -0.196 507 1HG MET 144 1HG MET 144 4.659 -1.960 -1.892 508 2HG MET 144 2HG MET 144 3.265 -2.154 -0.825 509 1HE MET 144 1HE MET 144 4.636 0.043 -1.614 510 2HE MET 144 2HE MET 144 4.565 1.014 -0.144 511 3HE MET 144 3HE MET 144 6.129 0.587 -0.851 512 H MET 145 H MET 145 2.370 -5.020 -2.544 513 HA MET 145 HA MET 145 2.449 -7.714 -1.374 514 1HB MET 145 1HB MET 145 0.023 -7.729 -2.296 515 2HB MET 145 2HB MET 145 0.397 -6.620 -0.979 516 1HG MET 145 1HG MET 145 0.536 -4.751 -2.464 517 2HG MET 145 2HG MET 145 0.555 -5.795 -3.886 518 1HE MET 145 1HE MET 145 -1.403 -6.149 -0.636 519 2HE MET 145 2HE MET 145 -1.573 -4.405 -0.883 520 3HE MET 145 3HE MET 145 -2.985 -5.454 -0.975 521 H THR 146 H THR 146 2.698 -6.265 -4.528 522 HA THR 146 HA THR 146 3.267 -8.914 -5.675 523 HB THR 146 HB THR 146 0.825 -8.738 -5.955 524 HG1 THR 146 HG1 THR 146 1.024 -9.486 -7.902 525 1HG2 THR 146 1HG2 THR 146 0.691 -6.270 -5.872 526 2HG2 THR 146 2HG2 THR 146 1.465 -6.183 -7.454 527 3HG2 THR 146 3HG2 THR 146 -0.131 -6.914 -7.293 528 H ALA 147 H ALA 147 5.008 -6.788 -5.249 529 HA ALA 147 HA ALA 147 5.366 -4.819 -7.152 530 1HB ALA 147 1HB ALA 147 7.029 -6.166 -5.302 531 2HB ALA 147 2HB ALA 147 7.877 -6.212 -6.848 532 3HB ALA 147 3HB ALA 147 7.381 -4.666 -6.161 533 H LYS 148 H LYS 148 4.697 -5.253 -9.254 534 HA LYS 148 HA LYS 148 5.682 -7.668 -10.630 535 1HB LYS 148 1HB LYS 148 4.297 -6.892 -12.504 536 2HB LYS 148 2HB LYS 148 3.363 -6.863 -11.007 537 1HG LYS 148 1HG LYS 148 3.800 -4.455 -10.764 538 2HG LYS 148 2HG LYS 148 4.766 -4.472 -12.239 539 1HD LYS 148 1HD LYS 148 2.914 -4.239 -13.493 540 2HD LYS 148 2HD LYS 148 2.217 -5.691 -12.773 541 1HE LYS 148 1HE LYS 148 0.657 -4.139 -12.069 542 2HE LYS 148 2HE LYS 148 1.795 -4.032 -10.728 543 1HZ LYS 148 1HZ LYS 148 2.919 -2.237 -12.094 544 2HZ LYS 148 2HZ LYS 148 1.508 -2.214 -13.040 545 3HZ LYS 148 3HZ LYS 148 1.430 -1.839 -11.385 No H/Q in entry = 545 Start of MODEL 16 Raw file had 555 H/Q atoms Start of MODEL 16 1 1H MET 76 1H MET 76 -10.714 5.273 -19.962 2 2H MET 76 2H MET 76 -9.337 6.139 -19.473 3 3H MET 76 3H MET 76 -9.657 5.921 -21.125 4 HA MET 76 HA MET 76 -9.137 3.656 -21.068 5 1HB MET 76 1HB MET 76 -7.274 5.335 -19.381 6 2HB MET 76 2HB MET 76 -6.885 3.670 -19.816 7 1HG MET 76 1HG MET 76 -7.765 5.530 -21.988 8 2HG MET 76 2HG MET 76 -6.123 5.692 -21.363 9 1HE MET 76 1HE MET 76 -4.297 4.445 -21.833 10 2HE MET 76 2HE MET 76 -4.170 3.287 -23.153 11 3HE MET 76 3HE MET 76 -4.736 4.932 -23.467 12 H LYS 77 H LYS 77 -8.400 4.637 -17.707 13 HA LYS 77 HA LYS 77 -10.349 3.046 -16.417 14 1HB LYS 77 1HB LYS 77 -8.201 1.510 -17.596 15 2HB LYS 77 2HB LYS 77 -8.164 1.352 -15.839 16 1HG LYS 77 1HG LYS 77 -10.401 0.550 -15.755 17 2HG LYS 77 2HG LYS 77 -10.725 1.058 -17.414 18 1HD LYS 77 1HD LYS 77 -8.455 -0.699 -17.418 19 2HD LYS 77 2HD LYS 77 -9.767 -1.470 -16.525 20 1HE LYS 77 1HE LYS 77 -11.064 -0.348 -18.706 21 2HE LYS 77 2HE LYS 77 -9.543 -0.921 -19.391 22 1HZ LYS 77 1HZ LYS 77 -11.181 -2.617 -17.609 23 2HZ LYS 77 2HZ LYS 77 -11.460 -2.559 -19.281 24 3HZ LYS 77 3HZ LYS 77 -9.958 -3.090 -18.689 25 H ASP 78 H ASP 78 -10.335 3.792 -14.349 26 HA ASP 78 HA ASP 78 -7.932 5.220 -13.386 27 1HB ASP 78 1HB ASP 78 -10.462 5.973 -13.207 28 2HB ASP 78 2HB ASP 78 -10.445 4.945 -11.772 29 H THR 79 H THR 79 -10.240 3.061 -11.705 30 HA THR 79 HA THR 79 -7.931 1.951 -10.192 31 HB THR 79 HB THR 79 -10.904 1.625 -9.687 32 HG1 THR 79 HG1 THR 79 -10.030 3.786 -9.479 33 1HG2 THR 79 1HG2 THR 79 -8.868 0.061 -8.773 34 2HG2 THR 79 2HG2 THR 79 -8.913 1.307 -7.526 35 3HG2 THR 79 3HG2 THR 79 -10.357 0.357 -7.877 36 H ASP 80 H ASP 80 -7.508 -0.284 -10.187 37 HA ASP 80 HA ASP 80 -9.250 -2.199 -11.487 38 1HB ASP 80 1HB ASP 80 -7.087 -0.885 -13.043 39 2HB ASP 80 2HB ASP 80 -7.189 -2.641 -13.189 40 H SER 81 H SER 81 -6.001 -1.378 -10.341 41 HA SER 81 HA SER 81 -5.550 -4.243 -9.663 42 1HB SER 81 1HB SER 81 -3.849 -2.159 -10.590 43 2HB SER 81 2HB SER 81 -3.335 -2.559 -8.953 44 HG SER 81 HG SER 81 -2.969 -4.619 -9.565 45 H GLU 82 H GLU 82 -5.766 -1.015 -8.195 46 HA GLU 82 HA GLU 82 -5.259 -2.100 -5.519 47 1HB GLU 82 1HB GLU 82 -6.403 0.634 -6.098 48 2HB GLU 82 2HB GLU 82 -5.414 0.127 -4.727 49 1HG GLU 82 1HG GLU 82 -3.449 0.235 -5.922 50 2HG GLU 82 2HG GLU 82 -4.227 -0.175 -7.450 51 H GLU 83 H GLU 83 -7.831 -2.386 -7.530 52 HA GLU 83 HA GLU 83 -10.134 -1.628 -6.176 53 1HB GLU 83 1HB GLU 83 -11.282 -3.371 -7.288 54 2HB GLU 83 2HB GLU 83 -9.914 -3.016 -8.344 55 1HG GLU 83 1HG GLU 83 -8.658 -4.875 -7.418 56 2HG GLU 83 2HG GLU 83 -9.931 -5.187 -6.242 57 H GLU 84 H GLU 84 -7.802 -4.057 -5.298 58 HA GLU 84 HA GLU 84 -9.460 -4.890 -2.971 59 1HB GLU 84 1HB GLU 84 -8.593 -6.796 -4.088 60 2HB GLU 84 2HB GLU 84 -7.017 -6.042 -4.328 61 1HG GLU 84 1HG GLU 84 -6.690 -6.067 -1.839 62 2HG GLU 84 2HG GLU 84 -8.197 -6.973 -1.694 63 H ILE 85 H ILE 85 -6.435 -3.317 -3.866 64 HA ILE 85 HA ILE 85 -5.389 -3.133 -1.167 65 HB ILE 85 HB ILE 85 -4.771 -1.638 -3.729 66 1HG1 ILE 85 1HG1 ILE 85 -2.546 -3.040 -2.962 67 2HG1 ILE 85 2HG1 ILE 85 -3.832 -4.098 -2.385 68 1HG2 ILE 85 1HG2 ILE 85 -4.324 -0.265 -1.676 69 2HG2 ILE 85 2HG2 ILE 85 -3.272 -1.558 -1.099 70 3HG2 ILE 85 3HG2 ILE 85 -2.861 -0.680 -2.572 71 1HD1 ILE 85 1HD1 ILE 85 -3.646 -2.992 -5.201 72 2HD1 ILE 85 2HD1 ILE 85 -3.159 -4.618 -4.726 73 3HD1 ILE 85 3HD1 ILE 85 -4.851 -4.133 -4.605 74 H ARG 86 H ARG 86 -6.540 -0.501 -3.312 75 HA ARG 86 HA ARG 86 -6.773 1.575 -1.558 76 1HB ARG 86 1HB ARG 86 -7.865 0.977 -4.058 77 2HB ARG 86 2HB ARG 86 -9.264 1.346 -3.048 78 1HG ARG 86 1HG ARG 86 -6.831 3.113 -2.985 79 2HG ARG 86 2HG ARG 86 -8.048 3.314 -4.246 80 1HD ARG 86 1HD ARG 86 -9.102 3.069 -1.485 81 2HD ARG 86 2HD ARG 86 -8.193 4.543 -1.826 82 HE ARG 86 HE ARG 86 -9.820 4.646 -3.902 83 1HH1 ARG 86 1HH1 ARG 86 -11.655 2.527 -3.185 84 2HH1 ARG 86 2HH1 ARG 86 -12.830 3.309 -2.180 85 1HH2 ARG 86 1HH2 ARG 86 -10.836 6.075 -1.547 86 2HH2 ARG 86 2HH2 ARG 86 -12.366 5.318 -1.252 87 H GLU 87 H GLU 87 -9.297 -0.951 -1.936 88 HA GLU 87 HA GLU 87 -10.941 0.085 0.183 89 1HB GLU 87 1HB GLU 87 -11.957 -2.229 0.169 90 2HB GLU 87 2HB GLU 87 -11.919 -1.449 -1.412 91 1HG GLU 87 1HG GLU 87 -10.921 -3.355 -2.123 92 2HG GLU 87 2HG GLU 87 -9.477 -2.722 -1.333 93 H ALA 88 H ALA 88 -8.347 -2.333 0.092 94 HA ALA 88 HA ALA 88 -8.577 -2.813 2.990 95 1HB ALA 88 1HB ALA 88 -7.047 -3.976 0.724 96 2HB ALA 88 2HB ALA 88 -6.255 -4.012 2.297 97 3HB ALA 88 3HB ALA 88 -7.828 -4.782 2.084 98 H PHE 89 H PHE 89 -8.172 -0.169 2.595 99 HA PHE 89 HA PHE 89 -5.978 0.507 4.170 100 1HB PHE 89 1HB PHE 89 -4.851 -0.315 1.880 101 2HB PHE 89 2HB PHE 89 -5.182 1.361 1.431 102 HD1 PHE 89 HD1 PHE 89 -4.416 3.225 2.972 103 HD2 PHE 89 HD2 PHE 89 -3.110 -0.839 3.407 104 HE1 PHE 89 HE1 PHE 89 -2.577 3.973 4.442 105 HE2 PHE 89 HE2 PHE 89 -1.249 -0.085 4.852 106 HZ PHE 89 HZ PHE 89 -0.989 2.318 5.372 107 H ARG 90 H ARG 90 -8.621 1.366 2.224 108 HA ARG 90 HA ARG 90 -8.190 4.135 1.889 109 1HB ARG 90 1HB ARG 90 -10.753 4.206 2.011 110 2HB ARG 90 2HB ARG 90 -10.072 3.145 0.776 111 1HG ARG 90 1HG ARG 90 -10.730 1.240 1.850 112 2HG ARG 90 2HG ARG 90 -10.495 1.938 3.452 113 1HD ARG 90 1HD ARG 90 -12.911 1.505 2.856 114 2HD ARG 90 2HD ARG 90 -12.561 3.178 3.294 115 HE ARG 90 HE ARG 90 -12.369 2.688 0.425 116 1HH1 ARG 90 1HH1 ARG 90 -15.111 1.918 1.805 117 2HH1 ARG 90 2HH1 ARG 90 -16.019 3.342 1.420 118 1HH2 ARG 90 1HH2 ARG 90 -13.238 5.186 0.477 119 2HH2 ARG 90 2HH2 ARG 90 -14.959 5.191 0.669 120 H VAL 91 H VAL 91 -8.717 2.130 4.569 121 HA VAL 91 HA VAL 91 -9.946 3.654 6.486 122 HB VAL 91 HB VAL 91 -7.488 1.902 6.625 123 1HG1 VAL 91 1HG1 VAL 91 -8.778 3.581 8.708 124 2HG1 VAL 91 2HG1 VAL 91 -8.473 1.905 9.169 125 3HG1 VAL 91 3HG1 VAL 91 -7.139 2.932 8.641 126 1HG2 VAL 91 1HG2 VAL 91 -10.014 1.210 6.082 127 2HG2 VAL 91 2HG2 VAL 91 -8.970 0.188 7.073 128 3HG2 VAL 91 3HG2 VAL 91 -10.143 1.259 7.842 129 H PHE 92 H PHE 92 -6.685 4.022 5.180 130 HA PHE 92 HA PHE 92 -5.995 6.180 7.010 131 1HB PHE 92 1HB PHE 92 -4.653 5.012 4.595 132 2HB PHE 92 2HB PHE 92 -4.018 6.371 5.526 133 HD1 PHE 92 HD1 PHE 92 -5.342 2.911 5.977 134 HD2 PHE 92 HD2 PHE 92 -2.753 5.990 7.450 135 HE1 PHE 92 HE1 PHE 92 -4.488 1.357 7.712 136 HE2 PHE 92 HE2 PHE 92 -1.879 4.435 9.181 137 HZ PHE 92 HZ PHE 92 -2.752 2.114 9.311 138 H ASP 93 H ASP 93 -6.879 5.876 3.571 139 HA ASP 93 HA ASP 93 -6.901 8.822 3.294 140 1HB ASP 93 1HB ASP 93 -5.946 7.529 1.448 141 2HB ASP 93 2HB ASP 93 -7.444 6.612 1.289 142 H LYS 94 H LYS 94 -8.834 7.819 5.111 143 HA LYS 94 HA LYS 94 -11.388 7.270 4.050 144 1HB LYS 94 1HB LYS 94 -10.938 9.128 6.395 145 2HB LYS 94 2HB LYS 94 -12.280 8.013 6.135 146 1HG LYS 94 1HG LYS 94 -10.392 6.186 6.108 147 2HG LYS 94 2HG LYS 94 -9.456 7.413 6.964 148 1HD LYS 94 1HD LYS 94 -12.124 6.247 7.803 149 2HD LYS 94 2HD LYS 94 -10.574 6.038 8.616 150 1HE LYS 94 1HE LYS 94 -12.172 8.595 8.341 151 2HE LYS 94 2HE LYS 94 -11.777 7.733 9.828 152 1HZ LYS 94 1HZ LYS 94 -9.778 8.947 8.000 153 2HZ LYS 94 2HZ LYS 94 -10.343 9.670 9.430 154 3HZ LYS 94 3HZ LYS 94 -9.464 8.217 9.498 155 H ASP 95 H ASP 95 -9.494 10.146 3.937 156 HA ASP 95 HA ASP 95 -11.039 11.434 1.967 157 1HB ASP 95 1HB ASP 95 -12.018 11.814 4.716 158 2HB ASP 95 2HB ASP 95 -11.695 13.328 3.868 159 H GLY 96 H GLY 96 -8.298 10.973 2.758 160 1HA GLY 96 1HA GLY 96 -7.350 13.752 3.297 161 2HA GLY 96 2HA GLY 96 -6.399 12.297 3.597 162 H ASN 97 H ASN 97 -6.094 10.920 1.457 163 HA ASN 97 HA ASN 97 -5.996 12.533 -0.993 164 1HB ASN 97 1HB ASN 97 -3.491 11.823 0.547 165 2HB ASN 97 2HB ASN 97 -3.468 12.199 -1.178 166 1HD2 ASN 97 1HD2 ASN 97 -4.605 15.641 -0.558 167 2HD2 ASN 97 2HD2 ASN 97 -5.007 14.342 -1.573 168 H GLY 98 H GLY 98 -4.936 9.568 0.664 169 1HA GLY 98 1HA GLY 98 -5.905 7.487 -0.501 170 2HA GLY 98 2HA GLY 98 -5.128 8.138 -1.948 171 H TYR 99 H TYR 99 -2.794 9.162 -0.562 172 HA TYR 99 HA TYR 99 -1.322 6.614 -0.291 173 1HB TYR 99 1HB TYR 99 0.662 7.966 -0.453 174 2HB TYR 99 2HB TYR 99 -0.470 8.588 -1.651 175 HD1 TYR 99 HD1 TYR 99 1.001 9.188 1.704 176 HD2 TYR 99 HD2 TYR 99 -1.462 10.768 -1.441 177 HE1 TYR 99 HE1 TYR 99 1.074 11.421 2.771 178 HE2 TYR 99 HE2 TYR 99 -1.389 13.004 -0.371 179 HH TYR 99 HH TYR 99 -0.166 14.264 1.171 180 H ILE 100 H ILE 100 0.622 7.120 1.481 181 HA ILE 100 HA ILE 100 -0.487 8.211 3.933 182 HB ILE 100 HB ILE 100 0.007 5.609 4.782 183 1HG1 ILE 100 1HG1 ILE 100 -2.063 4.891 2.932 184 2HG1 ILE 100 2HG1 ILE 100 -0.689 5.448 1.992 185 1HG2 ILE 100 1HG2 ILE 100 -1.738 7.280 5.467 186 2HG2 ILE 100 2HG2 ILE 100 -2.677 6.755 4.068 187 3HG2 ILE 100 3HG2 ILE 100 -2.298 5.609 5.356 188 1HD1 ILE 100 1HD1 ILE 100 -0.189 3.625 4.282 189 2HD1 ILE 100 2HD1 ILE 100 -0.855 2.956 2.792 190 3HD1 ILE 100 3HD1 ILE 100 0.692 3.793 2.760 191 H SER 101 H SER 101 1.618 5.412 4.081 192 HA SER 101 HA SER 101 4.151 6.625 3.761 193 1HB SER 101 1HB SER 101 3.163 7.999 5.713 194 2HB SER 101 2HB SER 101 3.349 6.534 6.668 195 HG SER 101 HG SER 101 5.404 6.930 6.772 196 H ALA 102 H ALA 102 5.736 5.377 5.548 197 HA ALA 102 HA ALA 102 5.344 2.554 4.932 198 1HB ALA 102 1HB ALA 102 7.558 4.051 5.371 199 2HB ALA 102 2HB ALA 102 7.351 3.348 6.975 200 3HB ALA 102 3HB ALA 102 7.532 2.299 5.569 201 H ALA 103 H ALA 103 5.037 4.595 7.817 202 HA ALA 103 HA ALA 103 4.595 2.440 9.663 203 1HB ALA 103 1HB ALA 103 4.732 5.242 9.807 204 2HB ALA 103 2HB ALA 103 3.098 4.840 10.334 205 3HB ALA 103 3HB ALA 103 4.489 4.132 11.155 206 H GLU 104 H GLU 104 2.472 4.261 7.506 207 HA GLU 104 HA GLU 104 0.000 3.201 8.547 208 1HB GLU 104 1HB GLU 104 0.759 4.404 5.867 209 2HB GLU 104 2HB GLU 104 -0.900 3.919 6.267 210 1HG GLU 104 1HG GLU 104 -0.959 6.132 6.943 211 2HG GLU 104 2HG GLU 104 -0.426 5.374 8.443 212 H LEU 105 H LEU 105 2.157 2.226 5.883 213 HA LEU 105 HA LEU 105 0.603 0.072 4.886 214 1HB LEU 105 1HB LEU 105 3.049 1.187 4.285 215 2HB LEU 105 2HB LEU 105 3.506 -0.395 4.920 216 HG LEU 105 HG LEU 105 1.194 -0.558 3.164 217 1HD1 LEU 105 1HD1 LEU 105 3.247 1.259 2.364 218 2HD1 LEU 105 2HD1 LEU 105 3.378 -0.184 1.358 219 3HD1 LEU 105 3HD1 LEU 105 1.858 0.706 1.428 220 1HD2 LEU 105 1HD2 LEU 105 3.941 -1.811 3.340 221 2HD2 LEU 105 2HD2 LEU 105 2.387 -2.540 3.737 222 3HD2 LEU 105 3HD2 LEU 105 2.809 -2.224 2.053 223 H ARG 106 H ARG 106 3.238 0.020 7.312 224 HA ARG 106 HA ARG 106 3.163 -2.721 7.931 225 1HB ARG 106 1HB ARG 106 4.896 -1.436 8.925 226 2HB ARG 106 2HB ARG 106 3.757 -0.281 9.613 227 1HG ARG 106 1HG ARG 106 3.498 -3.139 10.448 228 2HG ARG 106 2HG ARG 106 4.852 -2.216 11.097 229 1HD ARG 106 1HD ARG 106 3.080 -0.401 11.648 230 2HD ARG 106 2HD ARG 106 1.897 -1.689 11.417 231 HE ARG 106 HE ARG 106 3.955 -2.603 13.187 232 1HH1 ARG 106 1HH1 ARG 106 0.988 -0.904 12.910 233 2HH1 ARG 106 2HH1 ARG 106 0.754 -0.753 14.620 234 1HH2 ARG 106 1HH2 ARG 106 3.791 -2.209 15.435 235 2HH2 ARG 106 2HH2 ARG 106 2.340 -1.491 16.048 236 H HIS 107 H HIS 107 0.755 -0.335 8.530 237 HA HIS 107 HA HIS 107 -0.492 -1.861 10.718 238 1HB HIS 107 1HB HIS 107 -0.527 0.584 10.818 239 2HB HIS 107 2HB HIS 107 -1.385 0.651 9.280 240 HD1 HIS 107 HD1 HIS 107 -2.072 0.854 12.744 241 HD2 HIS 107 HD2 HIS 107 -3.933 -1.124 9.578 242 HE1 HIS 107 HE1 HIS 107 -4.437 0.356 13.501 243 H VAL 108 H VAL 108 -0.997 -1.402 7.238 244 HA VAL 108 HA VAL 108 -3.536 -2.952 7.487 245 HB VAL 108 HB VAL 108 -2.498 -1.548 5.028 246 1HG1 VAL 108 1HG1 VAL 108 -5.059 -2.851 5.882 247 2HG1 VAL 108 2HG1 VAL 108 -5.120 -1.508 4.743 248 3HG1 VAL 108 3HG1 VAL 108 -4.212 -2.965 4.339 249 1HG2 VAL 108 1HG2 VAL 108 -4.213 -0.545 7.313 250 2HG2 VAL 108 2HG2 VAL 108 -2.710 0.155 6.713 251 3HG2 VAL 108 3HG2 VAL 108 -4.174 0.237 5.732 252 H MET 109 H MET 109 -0.491 -2.978 5.579 253 HA MET 109 HA MET 109 -1.189 -5.447 4.262 254 1HB MET 109 1HB MET 109 0.816 -3.558 3.973 255 2HB MET 109 2HB MET 109 1.682 -4.974 4.572 256 1HG MET 109 1HG MET 109 -0.219 -5.868 2.636 257 2HG MET 109 2HG MET 109 0.669 -4.513 1.938 258 1HE MET 109 1HE MET 109 2.917 -4.209 3.134 259 2HE MET 109 2HE MET 109 3.821 -5.523 3.899 260 3HE MET 109 3HE MET 109 4.142 -5.088 2.221 261 H THR 110 H THR 110 -0.551 -4.908 7.478 262 HA THR 110 HA THR 110 0.907 -7.471 7.863 263 HB THR 110 HB THR 110 1.619 -5.373 9.086 264 HG1 THR 110 HG1 THR 110 0.724 -7.541 10.680 265 1HG2 THR 110 1HG2 THR 110 -0.667 -4.525 9.511 266 2HG2 THR 110 2HG2 THR 110 -0.957 -5.888 10.592 267 3HG2 THR 110 3HG2 THR 110 0.260 -4.680 11.004 268 H ASN 111 H ASN 111 -2.247 -6.169 7.974 269 HA ASN 111 HA ASN 111 -3.215 -8.579 9.466 270 1HB ASN 111 1HB ASN 111 -5.365 -6.848 9.432 271 2HB ASN 111 2HB ASN 111 -4.255 -7.041 10.786 272 1HD2 ASN 111 1HD2 ASN 111 -4.490 -3.448 9.187 273 2HD2 ASN 111 2HD2 ASN 111 -5.710 -4.631 9.180 274 H LEU 112 H LEU 112 -3.214 -6.782 6.570 275 HA LEU 112 HA LEU 112 -5.624 -7.587 5.313 276 1HB LEU 112 1HB LEU 112 -3.017 -6.462 4.538 277 2HB LEU 112 2HB LEU 112 -3.735 -7.470 3.287 278 HG LEU 112 HG LEU 112 -4.318 -4.914 3.363 279 1HD1 LEU 112 1HD1 LEU 112 -5.778 -7.311 2.634 280 2HD1 LEU 112 2HD1 LEU 112 -6.902 -6.034 3.099 281 3HD1 LEU 112 3HD1 LEU 112 -5.727 -5.751 1.813 282 1HD2 LEU 112 1HD2 LEU 112 -4.967 -5.191 5.871 283 2HD2 LEU 112 2HD2 LEU 112 -6.048 -4.254 4.839 284 3HD2 LEU 112 3HD2 LEU 112 -6.455 -5.916 5.260 285 H GLY 113 H GLY 113 -5.202 -9.064 3.128 286 1HA GLY 113 1HA GLY 113 -5.004 -11.745 4.045 287 2HA GLY 113 2HA GLY 113 -4.862 -11.258 2.353 288 H GLU 114 H GLU 114 -2.585 -9.414 3.334 289 HA GLU 114 HA GLU 114 -0.427 -11.221 2.679 290 1HB GLU 114 1HB GLU 114 -0.569 -8.353 3.608 291 2HB GLU 114 2HB GLU 114 0.979 -9.177 3.418 292 1HG GLU 114 1HG GLU 114 -0.893 -9.492 1.150 293 2HG GLU 114 2HG GLU 114 -0.284 -7.855 1.397 294 H LYS 115 H LYS 115 -0.794 -9.215 5.640 295 HA LYS 115 HA LYS 115 -0.094 -9.670 7.833 296 1HB LYS 115 1HB LYS 115 -1.460 -12.073 6.830 297 2HB LYS 115 2HB LYS 115 -0.344 -12.398 8.157 298 1HG LYS 115 1HG LYS 115 -1.430 -10.714 9.542 299 2HG LYS 115 2HG LYS 115 -2.481 -10.247 8.205 300 1HD LYS 115 1HD LYS 115 -3.682 -12.272 8.278 301 2HD LYS 115 2HD LYS 115 -2.416 -13.094 9.190 302 1HE LYS 115 1HE LYS 115 -2.906 -11.386 11.062 303 2HE LYS 115 2HE LYS 115 -4.386 -11.027 10.174 304 1HZ LYS 115 1HZ LYS 115 -3.598 -13.769 10.985 305 2HZ LYS 115 2HZ LYS 115 -4.601 -12.771 11.925 306 3HZ LYS 115 3HZ LYS 115 -5.102 -13.259 10.380 307 H LEU 116 H LEU 116 2.157 -9.208 7.541 308 HA LEU 116 HA LEU 116 3.849 -11.654 7.330 309 1HB LEU 116 1HB LEU 116 5.553 -10.218 6.168 310 2HB LEU 116 2HB LEU 116 4.073 -10.436 5.234 311 HG LEU 116 HG LEU 116 4.380 -8.070 7.080 312 1HD1 LEU 116 1HD1 LEU 116 6.091 -8.588 4.911 313 2HD1 LEU 116 2HD1 LEU 116 4.893 -7.451 4.293 314 3HD1 LEU 116 3HD1 LEU 116 5.848 -7.039 5.718 315 1HD2 LEU 116 1HD2 LEU 116 2.485 -9.062 5.093 316 2HD2 LEU 116 2HD2 LEU 116 2.276 -7.801 6.309 317 3HD2 LEU 116 3HD2 LEU 116 2.997 -7.408 4.749 318 H THR 117 H THR 117 5.880 -9.096 7.642 319 HA THR 117 HA THR 117 5.674 -9.092 10.621 320 HB THR 117 HB THR 117 8.319 -8.693 9.294 321 HG1 THR 117 HG1 THR 117 7.363 -10.538 8.279 322 1HG2 THR 117 1HG2 THR 117 7.372 -8.973 11.899 323 2HG2 THR 117 2HG2 THR 117 8.104 -10.538 11.542 324 3HG2 THR 117 3HG2 THR 117 9.059 -9.064 11.392 325 H ASP 118 H ASP 118 6.923 -7.102 11.517 326 HA ASP 118 HA ASP 118 5.877 -4.746 10.144 327 1HB ASP 118 1HB ASP 118 5.897 -4.907 12.618 328 2HB ASP 118 2HB ASP 118 7.661 -4.961 12.594 329 H GLU 119 H GLU 119 8.993 -6.333 10.479 330 HA GLU 119 HA GLU 119 10.456 -4.064 9.347 331 1HB GLU 119 1HB GLU 119 11.274 -6.942 9.859 332 2HB GLU 119 2HB GLU 119 12.370 -5.676 9.303 333 1HG GLU 119 1HG GLU 119 12.730 -5.284 11.510 334 2HG GLU 119 2HG GLU 119 11.160 -4.481 11.469 335 H GLU 120 H GLU 120 8.791 -6.875 8.152 336 HA GLU 120 HA GLU 120 10.103 -6.771 5.525 337 1HB GLU 120 1HB GLU 120 7.597 -8.283 6.310 338 2HB GLU 120 2HB GLU 120 8.656 -8.607 4.937 339 1HG GLU 120 1HG GLU 120 10.109 -8.559 7.473 340 2HG GLU 120 2HG GLU 120 8.849 -9.793 7.443 341 H VAL 121 H VAL 121 7.261 -5.468 7.084 342 HA VAL 121 HA VAL 121 6.059 -4.653 4.516 343 HB VAL 121 HB VAL 121 4.500 -5.282 6.248 344 1HG1 VAL 121 1HG1 VAL 121 6.347 -4.178 8.008 345 2HG1 VAL 121 2HG1 VAL 121 4.963 -3.094 8.104 346 3HG1 VAL 121 3HG1 VAL 121 4.762 -4.816 8.428 347 1HG2 VAL 121 1HG2 VAL 121 4.170 -3.158 4.757 348 2HG2 VAL 121 2HG2 VAL 121 3.046 -3.463 6.082 349 3HG2 VAL 121 3HG2 VAL 121 4.347 -2.288 6.280 350 H ASP 122 H ASP 122 7.627 -3.105 7.315 351 HA ASP 122 HA ASP 122 7.394 -0.454 6.129 352 1HB ASP 122 1HB ASP 122 8.477 0.350 8.056 353 2HB ASP 122 2HB ASP 122 7.616 -1.069 8.646 354 H GLU 123 H GLU 123 9.828 -2.997 6.181 355 HA GLU 123 HA GLU 123 11.924 -1.327 5.053 356 1HB GLU 123 1HB GLU 123 12.329 -3.435 6.378 357 2HB GLU 123 2HB GLU 123 11.721 -4.351 4.998 358 1HG GLU 123 1HG GLU 123 13.871 -4.333 4.277 359 2HG GLU 123 2HG GLU 123 13.547 -2.663 3.814 360 H MET 124 H MET 124 9.351 -3.355 3.779 361 HA MET 124 HA MET 124 10.387 -3.433 1.070 362 1HB MET 124 1HB MET 124 8.074 -4.445 2.489 363 2HB MET 124 2HB MET 124 7.590 -3.721 0.958 364 1HG MET 124 1HG MET 124 9.816 -5.758 1.261 365 2HG MET 124 2HG MET 124 8.177 -6.137 0.729 366 1HE MET 124 1HE MET 124 10.820 -6.808 -0.794 367 2HE MET 124 2HE MET 124 11.390 -5.654 -1.996 368 3HE MET 124 3HE MET 124 11.645 -5.328 -0.284 369 H ILE 125 H ILE 125 8.786 -1.038 2.948 370 HA ILE 125 HA ILE 125 7.396 0.312 0.831 371 HB ILE 125 HB ILE 125 8.013 0.796 3.637 372 1HG1 ILE 125 1HG1 ILE 125 5.904 2.383 3.004 373 2HG1 ILE 125 2HG1 ILE 125 5.886 1.271 1.633 374 1HG2 ILE 125 1HG2 ILE 125 8.382 3.078 1.702 375 2HG2 ILE 125 2HG2 ILE 125 7.719 3.369 3.310 376 3HG2 ILE 125 3HG2 ILE 125 9.332 2.679 3.133 377 1HD1 ILE 125 1HD1 ILE 125 6.363 -0.225 4.035 378 2HD1 ILE 125 2HD1 ILE 125 4.946 0.795 4.275 379 3HD1 ILE 125 3HD1 ILE 125 4.998 -0.339 2.924 380 H ARG 126 H ARG 126 10.748 0.424 1.965 381 HA ARG 126 HA ARG 126 11.685 2.715 0.664 382 1HB ARG 126 1HB ARG 126 13.117 0.046 0.548 383 2HB ARG 126 2HB ARG 126 13.841 1.654 0.582 384 1HG ARG 126 1HG ARG 126 12.347 1.718 2.864 385 2HG ARG 126 2HG ARG 126 12.791 0.011 2.806 386 1HD ARG 126 1HD ARG 126 14.735 2.330 2.601 387 2HD ARG 126 2HD ARG 126 14.475 1.345 4.041 388 HE ARG 126 HE ARG 126 15.116 -0.403 1.893 389 1HH1 ARG 126 1HH1 ARG 126 16.385 1.382 4.475 390 2HH1 ARG 126 2HH1 ARG 126 18.044 1.112 4.058 391 1HH2 ARG 126 1HH2 ARG 126 17.312 -0.450 1.050 392 2HH2 ARG 126 2HH2 ARG 126 18.569 0.075 2.120 393 H GLU 127 H GLU 127 10.462 -0.245 -0.657 394 HA GLU 127 HA GLU 127 11.475 0.200 -3.358 395 1HB GLU 127 1HB GLU 127 9.522 -1.735 -2.107 396 2HB GLU 127 2HB GLU 127 9.771 -1.671 -3.854 397 1HG GLU 127 1HG GLU 127 12.106 -1.915 -1.960 398 2HG GLU 127 2HG GLU 127 11.216 -3.340 -2.497 399 H ALA 128 H ALA 128 8.329 0.602 -1.674 400 HA ALA 128 HA ALA 128 7.197 1.760 -4.151 401 1HB ALA 128 1HB ALA 128 6.089 0.201 -2.190 402 2HB ALA 128 2HB ALA 128 5.577 1.809 -1.681 403 3HB ALA 128 3HB ALA 128 5.158 1.217 -3.291 404 H ASP 129 H ASP 129 7.341 2.778 -0.703 405 HA ASP 129 HA ASP 129 6.981 5.574 -1.515 406 1HB ASP 129 1HB ASP 129 7.791 4.780 1.265 407 2HB ASP 129 2HB ASP 129 6.706 6.065 0.746 408 H ILE 130 H ILE 130 8.565 7.239 -1.139 409 HA ILE 130 HA ILE 130 11.260 6.555 -0.277 410 HB ILE 130 HB ILE 130 12.224 7.292 -2.569 411 1HG1 ILE 130 1HG1 ILE 130 9.629 6.168 -3.606 412 2HG1 ILE 130 2HG1 ILE 130 9.794 7.899 -3.307 413 1HG2 ILE 130 1HG2 ILE 130 12.114 4.928 -1.489 414 2HG2 ILE 130 2HG2 ILE 130 10.816 4.627 -2.645 415 3HG2 ILE 130 3HG2 ILE 130 12.431 5.037 -3.221 416 1HD1 ILE 130 1HD1 ILE 130 11.987 6.580 -4.831 417 2HD1 ILE 130 2HD1 ILE 130 10.448 6.789 -5.666 418 3HD1 ILE 130 3HD1 ILE 130 11.300 8.192 -5.020 419 H ASP 131 H ASP 131 9.177 8.519 0.343 420 HA ASP 131 HA ASP 131 8.986 10.817 0.772 421 1HB ASP 131 1HB ASP 131 11.984 10.684 0.322 422 2HB ASP 131 2HB ASP 131 11.124 12.021 1.086 423 H GLY 132 H GLY 132 7.970 10.590 -1.561 424 1HA GLY 132 1HA GLY 132 9.448 12.483 -3.350 425 2HA GLY 132 2HA GLY 132 8.486 11.145 -3.982 426 H ASP 133 H ASP 133 6.232 11.318 -2.340 427 HA ASP 133 HA ASP 133 5.220 14.072 -2.402 428 1HB ASP 133 1HB ASP 133 4.882 12.417 -4.683 429 2HB ASP 133 2HB ASP 133 3.318 12.486 -3.872 430 H GLY 134 H GLY 134 3.448 11.008 -2.728 431 1HA GLY 134 1HA GLY 134 2.287 11.523 -0.027 432 2HA GLY 134 2HA GLY 134 1.514 10.557 -1.289 433 H GLN 135 H GLN 135 4.922 10.115 -0.827 434 HA GLN 135 HA GLN 135 6.112 8.223 -0.089 435 1HB GLN 135 1HB GLN 135 3.817 8.270 1.896 436 2HB GLN 135 2HB GLN 135 5.194 7.174 2.028 437 1HG GLN 135 1HG GLN 135 6.646 9.318 1.836 438 2HG GLN 135 2HG GLN 135 5.161 10.180 2.239 439 1HE2 GLN 135 1HE2 GLN 135 5.569 9.531 5.663 440 2HE2 GLN 135 2HE2 GLN 135 4.981 10.555 4.443 441 H VAL 136 H VAL 136 3.121 6.749 0.990 442 HA VAL 136 HA VAL 136 3.332 4.850 -1.310 443 HB VAL 136 HB VAL 136 3.457 3.446 0.489 444 1HG1 VAL 136 1HG1 VAL 136 1.815 5.400 2.091 445 2HG1 VAL 136 2HG1 VAL 136 2.545 3.923 2.717 446 3HG1 VAL 136 3HG1 VAL 136 3.571 5.236 2.142 447 1HG2 VAL 136 1HG2 VAL 136 1.298 2.955 -0.633 448 2HG2 VAL 136 2HG2 VAL 136 1.328 2.462 1.058 449 3HG2 VAL 136 3HG2 VAL 136 0.484 3.937 0.584 450 H ASN 137 H ASN 137 1.903 5.570 -2.868 451 HA ASN 137 HA ASN 137 -0.729 6.554 -1.925 452 1HB ASN 137 1HB ASN 137 -0.902 7.646 -4.125 453 2HB ASN 137 2HB ASN 137 0.486 8.185 -3.189 454 1HD2 ASN 137 1HD2 ASN 137 1.988 5.476 -5.762 455 2HD2 ASN 137 2HD2 ASN 137 1.103 5.030 -4.394 456 H TYR 138 H TYR 138 -1.413 4.268 -1.685 457 HA TYR 138 HA TYR 138 -2.338 2.246 -2.491 458 1HB TYR 138 1HB TYR 138 -3.672 4.386 -4.148 459 2HB TYR 138 2HB TYR 138 -4.265 2.731 -4.003 460 HD1 TYR 138 HD1 TYR 138 -3.213 2.536 -1.010 461 HD2 TYR 138 HD2 TYR 138 -5.726 5.286 -3.136 462 HE1 TYR 138 HE1 TYR 138 -4.345 3.114 1.100 463 HE2 TYR 138 HE2 TYR 138 -6.870 5.869 -1.016 464 HH TYR 138 HH TYR 138 -5.673 4.763 2.076 465 H GLU 139 H GLU 139 -2.374 3.950 -5.590 466 HA GLU 139 HA GLU 139 -1.988 1.843 -7.251 467 1HB GLU 139 1HB GLU 139 -0.284 4.274 -7.734 468 2HB GLU 139 2HB GLU 139 -1.201 3.321 -8.900 469 1HG GLU 139 1HG GLU 139 -3.263 4.142 -7.452 470 2HG GLU 139 2HG GLU 139 -2.153 5.440 -7.011 471 H GLU 140 H GLU 140 0.454 3.298 -5.177 472 HA GLU 140 HA GLU 140 2.494 1.413 -6.236 473 1HB GLU 140 1HB GLU 140 4.144 2.753 -5.178 474 2HB GLU 140 2HB GLU 140 2.993 3.905 -5.850 475 1HG GLU 140 1HG GLU 140 3.117 4.764 -3.758 476 2HG GLU 140 2HG GLU 140 1.868 3.559 -3.444 477 H PHE 141 H PHE 141 0.465 2.056 -3.475 478 HA PHE 141 HA PHE 141 1.787 0.487 -1.488 479 1HB PHE 141 1HB PHE 141 -0.144 1.877 -0.915 480 2HB PHE 141 2HB PHE 141 -1.171 0.939 -1.988 481 HD1 PHE 141 HD1 PHE 141 1.434 -0.683 0.043 482 HD2 PHE 141 HD2 PHE 141 -2.733 0.327 -0.207 483 HE1 PHE 141 HE1 PHE 141 0.935 -2.273 1.872 484 HE2 PHE 141 HE2 PHE 141 -3.230 -1.270 1.626 485 HZ PHE 141 HZ PHE 141 -1.396 -2.568 2.663 486 H VAL 142 H VAL 142 -0.145 -0.395 -4.265 487 HA VAL 142 HA VAL 142 -0.774 -3.079 -3.548 488 HB VAL 142 HB VAL 142 -1.968 -2.194 -5.378 489 1HG1 VAL 142 1HG1 VAL 142 0.732 -1.224 -6.233 490 2HG1 VAL 142 2HG1 VAL 142 -0.498 -1.485 -7.471 491 3HG1 VAL 142 3HG1 VAL 142 -0.800 -0.350 -6.153 492 1HG2 VAL 142 1HG2 VAL 142 -1.146 -4.552 -5.727 493 2HG2 VAL 142 2HG2 VAL 142 -1.488 -3.689 -7.227 494 3HG2 VAL 142 3HG2 VAL 142 0.179 -3.893 -6.687 495 H GLN 143 H GLN 143 2.161 -1.606 -4.791 496 HA GLN 143 HA GLN 143 3.452 -3.907 -5.825 497 1HB GLN 143 1HB GLN 143 4.413 -1.684 -6.108 498 2HB GLN 143 2HB GLN 143 4.624 -1.520 -4.364 499 1HG GLN 143 1HG GLN 143 6.295 -3.212 -4.302 500 2HG GLN 143 2HG GLN 143 5.891 -3.777 -5.923 501 1HE2 GLN 143 1HE2 GLN 143 7.466 -0.028 -6.130 502 2HE2 GLN 143 2HE2 GLN 143 6.026 -0.318 -5.278 503 H MET 144 H MET 144 2.786 -2.928 -2.545 504 HA MET 144 HA MET 144 4.663 -4.872 -1.388 505 1HB MET 144 1HB MET 144 2.455 -3.554 0.170 506 2HB MET 144 2HB MET 144 4.078 -3.992 0.699 507 1HG MET 144 1HG MET 144 4.112 -2.060 -1.496 508 2HG MET 144 2HG MET 144 3.252 -1.458 -0.081 509 1HE MET 144 1HE MET 144 6.014 -2.428 -1.889 510 2HE MET 144 2HE MET 144 7.168 -1.242 -1.264 511 3HE MET 144 3HE MET 144 7.324 -2.943 -0.830 512 H MET 145 H MET 145 1.258 -4.631 -2.184 513 HA MET 145 HA MET 145 0.526 -7.040 -0.705 514 1HB MET 145 1HB MET 145 -1.076 -5.750 -2.919 515 2HB MET 145 2HB MET 145 -1.669 -6.691 -1.551 516 1HG MET 145 1HG MET 145 -0.090 -4.308 -0.809 517 2HG MET 145 2HG MET 145 -1.615 -3.957 -1.620 518 1HE MET 145 1HE MET 145 -3.801 -5.508 -0.994 519 2HE MET 145 2HE MET 145 -4.359 -5.007 0.601 520 3HE MET 145 3HE MET 145 -3.744 -3.802 -0.527 521 H THR 146 H THR 146 1.923 -6.352 -3.762 522 HA THR 146 HA THR 146 1.522 -9.203 -4.542 523 HB THR 146 HB THR 146 0.049 -8.028 -6.009 524 HG1 THR 146 HG1 THR 146 0.903 -8.927 -7.685 525 1HG2 THR 146 1HG2 THR 146 2.068 -5.926 -5.712 526 2HG2 THR 146 2HG2 THR 146 1.502 -6.110 -7.372 527 3HG2 THR 146 3HG2 THR 146 0.349 -5.788 -6.079 528 H ALA 147 H ALA 147 3.737 -7.570 -3.271 529 HA ALA 147 HA ALA 147 5.838 -7.423 -5.287 530 1HB ALA 147 1HB ALA 147 5.493 -6.694 -2.502 531 2HB ALA 147 2HB ALA 147 7.024 -7.538 -2.737 532 3HB ALA 147 3HB ALA 147 6.665 -6.086 -3.671 533 H LYS 148 H LYS 148 6.601 -9.300 -6.151 534 HA LYS 148 HA LYS 148 6.480 -11.820 -4.693 535 1HB LYS 148 1HB LYS 148 7.948 -12.569 -6.725 536 2HB LYS 148 2HB LYS 148 6.263 -12.137 -7.004 537 1HG LYS 148 1HG LYS 148 7.967 -11.120 -8.618 538 2HG LYS 148 2HG LYS 148 6.851 -9.989 -7.857 539 1HD LYS 148 1HD LYS 148 8.512 -9.283 -6.273 540 2HD LYS 148 2HD LYS 148 9.599 -10.591 -6.740 541 1HE LYS 148 1HE LYS 148 10.384 -9.449 -8.533 542 2HE LYS 148 2HE LYS 148 8.773 -8.900 -8.995 543 1HZ LYS 148 1HZ LYS 148 10.198 -7.770 -6.664 544 2HZ LYS 148 2HZ LYS 148 10.415 -7.148 -8.227 545 3HZ LYS 148 3HZ LYS 148 8.875 -7.121 -7.509 No H/Q in entry = 545 Start of MODEL 17 Raw file had 555 H/Q atoms Start of MODEL 17 1 1H MET 76 1H MET 76 -2.930 -4.590 -16.325 2 2H MET 76 2H MET 76 -3.204 -4.113 -14.717 3 3H MET 76 3H MET 76 -3.398 -5.738 -15.163 4 HA MET 76 HA MET 76 -5.262 -5.165 -16.582 5 1HB MET 76 1HB MET 76 -5.156 -4.759 -13.678 6 2HB MET 76 2HB MET 76 -6.505 -3.919 -14.444 7 1HG MET 76 1HG MET 76 -5.953 -6.747 -15.254 8 2HG MET 76 2HG MET 76 -6.735 -6.458 -13.701 9 1HE MET 76 1HE MET 76 -8.747 -7.000 -13.571 10 2HE MET 76 2HE MET 76 -10.140 -6.668 -14.598 11 3HE MET 76 3HE MET 76 -9.008 -7.941 -15.046 12 H LYS 77 H LYS 77 -6.957 -3.384 -16.905 13 HA LYS 77 HA LYS 77 -5.548 -0.761 -17.200 14 1HB LYS 77 1HB LYS 77 -7.473 -0.453 -18.973 15 2HB LYS 77 2HB LYS 77 -6.042 -1.395 -19.391 16 1HG LYS 77 1HG LYS 77 -7.215 -3.472 -18.800 17 2HG LYS 77 2HG LYS 77 -8.643 -2.545 -18.339 18 1HD LYS 77 1HD LYS 77 -8.704 -1.627 -20.689 19 2HD LYS 77 2HD LYS 77 -7.425 -2.769 -21.104 20 1HE LYS 77 1HE LYS 77 -9.192 -4.429 -19.862 21 2HE LYS 77 2HE LYS 77 -10.298 -3.259 -20.584 22 1HZ LYS 77 1HZ LYS 77 -8.107 -4.305 -22.226 23 2HZ LYS 77 2HZ LYS 77 -9.442 -5.315 -21.930 24 3HZ LYS 77 3HZ LYS 77 -9.668 -3.815 -22.687 25 H ASP 78 H ASP 78 -7.173 1.127 -17.223 26 HA ASP 78 HA ASP 78 -8.566 2.404 -15.807 27 1HB ASP 78 1HB ASP 78 -10.870 1.755 -15.965 28 2HB ASP 78 2HB ASP 78 -10.105 1.249 -17.472 29 H THR 79 H THR 79 -10.513 1.669 -13.959 30 HA THR 79 HA THR 79 -8.828 0.775 -11.740 31 HB THR 79 HB THR 79 -11.784 1.139 -11.452 32 HG1 THR 79 HG1 THR 79 -11.195 3.464 -11.295 33 1HG2 THR 79 1HG2 THR 79 -9.422 1.112 -9.802 34 2HG2 THR 79 2HG2 THR 79 -10.251 2.659 -9.626 35 3HG2 THR 79 3HG2 THR 79 -11.114 1.155 -9.307 36 H ASP 80 H ASP 80 -11.290 -0.490 -10.444 37 HA ASP 80 HA ASP 80 -12.181 -2.641 -10.193 38 1HB ASP 80 1HB ASP 80 -12.567 -2.034 -12.805 39 2HB ASP 80 2HB ASP 80 -11.524 -3.448 -12.969 40 H SER 81 H SER 81 -9.477 -2.219 -9.503 41 HA SER 81 HA SER 81 -8.459 -4.974 -9.816 42 1HB SER 81 1HB SER 81 -6.973 -2.512 -10.751 43 2HB SER 81 2HB SER 81 -6.148 -4.016 -10.354 44 HG SER 81 HG SER 81 -6.831 -4.828 -12.165 45 H GLU 82 H GLU 82 -7.792 -1.720 -8.493 46 HA GLU 82 HA GLU 82 -6.290 -2.824 -6.247 47 1HB GLU 82 1HB GLU 82 -7.308 -0.065 -6.940 48 2HB GLU 82 2HB GLU 82 -6.547 -0.407 -5.386 49 1HG GLU 82 1HG GLU 82 -4.475 -0.896 -6.357 50 2HG GLU 82 2HG GLU 82 -5.187 -1.246 -7.933 51 H GLU 83 H GLU 83 -9.507 -2.902 -6.960 52 HA GLU 83 HA GLU 83 -10.976 -2.025 -4.800 53 1HB GLU 83 1HB GLU 83 -12.345 -4.165 -5.072 54 2HB GLU 83 2HB GLU 83 -12.135 -3.185 -6.526 55 1HG GLU 83 1HG GLU 83 -10.223 -4.595 -7.186 56 2HG GLU 83 2HG GLU 83 -10.475 -5.593 -5.757 57 H GLU 84 H GLU 84 -8.637 -4.619 -4.850 58 HA GLU 84 HA GLU 84 -9.343 -5.470 -2.110 59 1HB GLU 84 1HB GLU 84 -8.109 -6.709 -4.336 60 2HB GLU 84 2HB GLU 84 -6.862 -6.578 -3.094 61 1HG GLU 84 1HG GLU 84 -7.910 -8.612 -2.559 62 2HG GLU 84 2HG GLU 84 -8.710 -7.467 -1.482 63 H ILE 85 H ILE 85 -6.792 -3.741 -3.847 64 HA ILE 85 HA ILE 85 -5.096 -3.416 -1.498 65 HB ILE 85 HB ILE 85 -5.155 -1.963 -4.161 66 1HG1 ILE 85 1HG1 ILE 85 -2.826 -3.526 -3.823 67 2HG1 ILE 85 2HG1 ILE 85 -4.167 -4.546 -3.299 68 1HG2 ILE 85 1HG2 ILE 85 -4.138 -0.609 -2.366 69 2HG2 ILE 85 2HG2 ILE 85 -3.078 -1.956 -1.951 70 3HG2 ILE 85 3HG2 ILE 85 -2.917 -1.157 -3.516 71 1HD1 ILE 85 1HD1 ILE 85 -4.243 -2.985 -5.887 72 2HD1 ILE 85 2HD1 ILE 85 -3.602 -4.625 -5.795 73 3HD1 ILE 85 3HD1 ILE 85 -5.290 -4.314 -5.390 74 H ARG 86 H ARG 86 -6.685 -0.879 -3.467 75 HA ARG 86 HA ARG 86 -6.599 1.243 -1.748 76 1HB ARG 86 1HB ARG 86 -8.128 0.605 -3.988 77 2HB ARG 86 2HB ARG 86 -9.323 0.963 -2.732 78 1HG ARG 86 1HG ARG 86 -6.984 2.793 -3.005 79 2HG ARG 86 2HG ARG 86 -8.245 2.891 -4.229 80 1HD ARG 86 1HD ARG 86 -8.829 2.966 -1.261 81 2HD ARG 86 2HD ARG 86 -8.569 4.420 -2.222 82 HE ARG 86 HE ARG 86 -10.537 3.539 -3.644 83 1HH1 ARG 86 1HH1 ARG 86 -11.358 1.113 -2.442 84 2HH1 ARG 86 2HH1 ARG 86 -12.458 1.573 -1.185 85 1HH2 ARG 86 1HH2 ARG 86 -11.401 4.874 -1.103 86 2HH2 ARG 86 2HH2 ARG 86 -12.482 3.702 -0.427 87 H GLU 87 H GLU 87 -9.144 -1.265 -1.628 88 HA GLU 87 HA GLU 87 -10.503 -0.248 0.617 89 1HB GLU 87 1HB GLU 87 -11.322 -2.157 -0.739 90 2HB GLU 87 2HB GLU 87 -10.029 -3.166 -0.087 91 1HG GLU 87 1HG GLU 87 -10.959 -2.511 2.233 92 2HG GLU 87 2HG GLU 87 -12.397 -1.990 1.356 93 H ALA 88 H ALA 88 -7.810 -2.617 0.556 94 HA ALA 88 HA ALA 88 -7.518 -2.381 3.483 95 1HB ALA 88 1HB ALA 88 -6.401 -4.110 1.334 96 2HB ALA 88 2HB ALA 88 -5.350 -3.809 2.716 97 3HB ALA 88 3HB ALA 88 -6.936 -4.542 2.959 98 H PHE 89 H PHE 89 -7.159 0.028 3.075 99 HA PHE 89 HA PHE 89 -4.592 0.915 3.664 100 1HB PHE 89 1HB PHE 89 -4.380 -0.073 1.123 101 2HB PHE 89 2HB PHE 89 -4.897 1.560 0.768 102 HD1 PHE 89 HD1 PHE 89 -2.818 0.508 3.678 103 HD2 PHE 89 HD2 PHE 89 -2.896 2.473 -0.143 104 HE1 PHE 89 HE1 PHE 89 -0.518 1.340 4.054 105 HE2 PHE 89 HE2 PHE 89 -0.593 3.291 0.232 106 HZ PHE 89 HZ PHE 89 0.599 2.723 2.329 107 H ARG 90 H ARG 90 -7.658 1.409 2.140 108 HA ARG 90 HA ARG 90 -7.529 4.287 2.089 109 1HB ARG 90 1HB ARG 90 -9.552 4.179 1.042 110 2HB ARG 90 2HB ARG 90 -9.113 2.492 0.839 111 1HG ARG 90 1HG ARG 90 -10.845 3.632 3.044 112 2HG ARG 90 2HG ARG 90 -11.386 2.645 1.680 113 1HD ARG 90 1HD ARG 90 -9.266 1.264 3.001 114 2HD ARG 90 2HD ARG 90 -10.458 1.749 4.208 115 HE ARG 90 HE ARG 90 -11.567 0.548 1.761 116 1HH1 ARG 90 1HH1 ARG 90 -9.883 -0.425 4.544 117 2HH1 ARG 90 2HH1 ARG 90 -11.048 -1.610 5.029 118 1HH2 ARG 90 1HH2 ARG 90 -13.347 -0.736 2.587 119 2HH2 ARG 90 2HH2 ARG 90 -13.008 -1.786 3.924 120 H VAL 91 H VAL 91 -7.861 1.988 4.510 121 HA VAL 91 HA VAL 91 -9.694 3.092 6.316 122 HB VAL 91 HB VAL 91 -6.962 1.939 6.960 123 1HG1 VAL 91 1HG1 VAL 91 -9.368 2.662 8.561 124 2HG1 VAL 91 2HG1 VAL 91 -8.538 1.165 8.987 125 3HG1 VAL 91 3HG1 VAL 91 -7.663 2.696 9.011 126 1HG2 VAL 91 1HG2 VAL 91 -8.703 0.644 5.465 127 2HG2 VAL 91 2HG2 VAL 91 -7.882 -0.193 6.783 128 3HG2 VAL 91 3HG2 VAL 91 -9.533 0.390 7.001 129 H PHE 92 H PHE 92 -6.655 4.245 5.185 130 HA PHE 92 HA PHE 92 -6.638 6.427 7.216 131 1HB PHE 92 1HB PHE 92 -4.460 5.426 5.356 132 2HB PHE 92 2HB PHE 92 -4.277 6.699 6.567 133 HD1 PHE 92 HD1 PHE 92 -4.754 3.058 6.036 134 HD2 PHE 92 HD2 PHE 92 -4.291 6.207 8.934 135 HE1 PHE 92 HE1 PHE 92 -4.322 1.376 7.817 136 HE2 PHE 92 HE2 PHE 92 -3.859 4.520 10.701 137 HZ PHE 92 HZ PHE 92 -3.877 2.107 10.140 138 H ASP 93 H ASP 93 -5.754 5.976 3.769 139 HA ASP 93 HA ASP 93 -6.589 8.762 3.229 140 1HB ASP 93 1HB ASP 93 -5.399 6.738 1.309 141 2HB ASP 93 2HB ASP 93 -5.490 8.487 1.097 142 H LYS 94 H LYS 94 -8.797 7.448 3.900 143 HA LYS 94 HA LYS 94 -10.262 5.790 2.310 144 1HB LYS 94 1HB LYS 94 -11.477 8.440 3.090 145 2HB LYS 94 2HB LYS 94 -12.240 6.850 3.055 146 1HG LYS 94 1HG LYS 94 -10.124 6.485 4.805 147 2HG LYS 94 2HG LYS 94 -10.674 8.117 5.183 148 1HD LYS 94 1HD LYS 94 -12.991 7.273 5.411 149 2HD LYS 94 2HD LYS 94 -12.418 5.639 5.074 150 1HE LYS 94 1HE LYS 94 -11.104 5.588 7.074 151 2HE LYS 94 2HE LYS 94 -11.322 7.317 7.339 152 1HZ LYS 94 1HZ LYS 94 -13.720 5.659 7.151 153 2HZ LYS 94 2HZ LYS 94 -12.791 5.532 8.567 154 3HZ LYS 94 3HZ LYS 94 -13.423 7.035 8.103 155 H ASP 95 H ASP 95 -9.385 9.107 1.490 156 HA ASP 95 HA ASP 95 -9.246 8.861 -1.247 157 1HB ASP 95 1HB ASP 95 -12.012 8.663 -0.356 158 2HB ASP 95 2HB ASP 95 -11.785 10.023 -1.456 159 H GLY 96 H GLY 96 -8.264 10.476 0.905 160 1HA GLY 96 1HA GLY 96 -8.820 13.156 -0.256 161 2HA GLY 96 2HA GLY 96 -8.947 12.953 1.491 162 H ASN 97 H ASN 97 -6.716 11.088 1.736 163 HA ASN 97 HA ASN 97 -4.557 13.074 1.704 164 1HB ASN 97 1HB ASN 97 -5.009 10.387 2.879 165 2HB ASN 97 2HB ASN 97 -3.336 10.780 2.480 166 1HD2 ASN 97 1HD2 ASN 97 -3.313 13.640 4.765 167 2HD2 ASN 97 2HD2 ASN 97 -2.825 13.260 3.185 168 H GLY 98 H GLY 98 -5.304 10.016 0.051 169 1HA GLY 98 1HA GLY 98 -4.624 9.479 -2.183 170 2HA GLY 98 2HA GLY 98 -3.451 10.799 -2.114 171 H TYR 99 H TYR 99 -2.057 10.268 0.167 172 HA TYR 99 HA TYR 99 -1.024 7.492 -0.204 173 1HB TYR 99 1HB TYR 99 1.224 8.289 -0.101 174 2HB TYR 99 2HB TYR 99 0.400 9.288 -1.298 175 HD1 TYR 99 HD1 TYR 99 -0.534 11.547 -0.571 176 HD2 TYR 99 HD2 TYR 99 2.187 9.262 1.842 177 HE1 TYR 99 HE1 TYR 99 0.009 13.580 0.743 178 HE2 TYR 99 HE2 TYR 99 2.730 11.294 3.155 179 HH TYR 99 HH TYR 99 0.883 14.072 3.087 180 H ILE 100 H ILE 100 0.366 6.845 1.716 181 HA ILE 100 HA ILE 100 -0.569 8.188 4.205 182 HB ILE 100 HB ILE 100 -0.281 5.527 4.918 183 1HG1 ILE 100 1HG1 ILE 100 -1.567 5.739 2.181 184 2HG1 ILE 100 2HG1 ILE 100 -0.304 4.626 2.706 185 1HG2 ILE 100 1HG2 ILE 100 -2.062 7.485 5.305 186 2HG2 ILE 100 2HG2 ILE 100 -2.981 6.525 4.149 187 3HG2 ILE 100 3HG2 ILE 100 -2.439 5.801 5.663 188 1HD1 ILE 100 1HD1 ILE 100 -3.114 4.646 3.825 189 2HD1 ILE 100 2HD1 ILE 100 -2.559 3.571 2.553 190 3HD1 ILE 100 3HD1 ILE 100 -1.848 3.465 4.159 191 H SER 101 H SER 101 0.784 7.139 6.127 192 HA SER 101 HA SER 101 3.613 7.540 5.375 193 1HB SER 101 1HB SER 101 2.614 8.683 7.366 194 2HB SER 101 2HB SER 101 2.366 7.102 8.104 195 HG SER 101 HG SER 101 4.523 8.577 8.198 196 H ALA 102 H ALA 102 5.127 6.030 6.859 197 HA ALA 102 HA ALA 102 4.848 3.363 5.823 198 1HB ALA 102 1HB ALA 102 6.991 4.592 6.622 199 2HB ALA 102 2HB ALA 102 6.516 4.069 8.238 200 3HB ALA 102 3HB ALA 102 6.848 2.872 6.986 201 H ALA 103 H ALA 103 4.442 4.675 9.130 202 HA ALA 103 HA ALA 103 3.653 2.328 10.429 203 1HB ALA 103 1HB ALA 103 3.489 5.140 10.944 204 2HB ALA 103 2HB ALA 103 1.932 4.414 11.341 205 3HB ALA 103 3HB ALA 103 3.405 3.814 12.103 206 H GLU 104 H GLU 104 1.891 4.274 8.120 207 HA GLU 104 HA GLU 104 -0.713 3.139 8.645 208 1HB GLU 104 1HB GLU 104 0.544 4.738 6.443 209 2HB GLU 104 2HB GLU 104 -0.972 3.894 6.098 210 1HG GLU 104 1HG GLU 104 -1.200 6.283 6.983 211 2HG GLU 104 2HG GLU 104 -2.120 5.053 7.847 212 H LEU 105 H LEU 105 1.901 2.392 6.358 213 HA LEU 105 HA LEU 105 0.552 0.214 5.048 214 1HB LEU 105 1HB LEU 105 3.035 1.549 4.857 215 2HB LEU 105 2HB LEU 105 3.405 -0.157 5.121 216 HG LEU 105 HG LEU 105 1.206 0.008 3.311 217 1HD1 LEU 105 1HD1 LEU 105 2.480 2.347 3.064 218 2HD1 LEU 105 2HD1 LEU 105 3.547 1.364 2.061 219 3HD1 LEU 105 3HD1 LEU 105 1.832 1.489 1.666 220 1HD2 LEU 105 1HD2 LEU 105 3.199 -1.682 3.674 221 2HD2 LEU 105 2HD2 LEU 105 2.565 -1.449 2.048 222 3HD2 LEU 105 3HD2 LEU 105 4.048 -0.639 2.531 223 H ARG 106 H ARG 106 3.166 0.117 7.541 224 HA ARG 106 HA ARG 106 3.250 -2.607 7.984 225 1HB ARG 106 1HB ARG 106 3.695 -2.066 10.405 226 2HB ARG 106 2HB ARG 106 4.680 -1.152 9.265 227 1HG ARG 106 1HG ARG 106 3.962 0.546 10.657 228 2HG ARG 106 2HG ARG 106 2.685 0.577 9.440 229 1HD ARG 106 1HD ARG 106 1.160 0.121 11.031 230 2HD ARG 106 2HD ARG 106 1.994 -1.391 11.393 231 HE ARG 106 HE ARG 106 3.425 0.706 12.662 232 1HH1 ARG 106 1HH1 ARG 106 1.752 -1.880 13.574 233 2HH1 ARG 106 2HH1 ARG 106 0.882 -1.162 14.889 234 1HH2 ARG 106 1HH2 ARG 106 1.705 2.089 14.005 235 2HH2 ARG 106 2HH2 ARG 106 0.855 1.086 15.132 236 H HIS 107 H HIS 107 0.803 -0.374 9.218 237 HA HIS 107 HA HIS 107 -0.609 -2.439 10.703 238 1HB HIS 107 1HB HIS 107 -0.689 0.002 11.273 239 2HB HIS 107 2HB HIS 107 -1.636 0.267 9.806 240 HD1 HIS 107 HD1 HIS 107 -2.125 -0.263 13.282 241 HD2 HIS 107 HD2 HIS 107 -4.021 -1.709 9.860 242 HE1 HIS 107 HE1 HIS 107 -4.399 -1.101 14.021 243 H VAL 108 H VAL 108 -0.928 -1.057 7.459 244 HA VAL 108 HA VAL 108 -3.502 -2.406 7.022 245 HB VAL 108 HB VAL 108 -1.711 -0.952 5.057 246 1HG1 VAL 108 1HG1 VAL 108 -4.134 -2.495 4.790 247 2HG1 VAL 108 2HG1 VAL 108 -4.446 -0.811 4.372 248 3HG1 VAL 108 3HG1 VAL 108 -3.178 -1.707 3.536 249 1HG2 VAL 108 1HG2 VAL 108 -2.899 0.156 7.239 250 2HG2 VAL 108 2HG2 VAL 108 -2.669 1.019 5.718 251 3HG2 VAL 108 3HG2 VAL 108 -4.220 0.260 6.075 252 H MET 109 H MET 109 -0.339 -2.628 5.358 253 HA MET 109 HA MET 109 -1.040 -4.974 3.912 254 1HB MET 109 1HB MET 109 1.229 -3.275 4.159 255 2HB MET 109 2HB MET 109 1.777 -4.935 4.395 256 1HG MET 109 1HG MET 109 0.758 -5.631 2.309 257 2HG MET 109 2HG MET 109 0.018 -4.044 2.099 258 1HE MET 109 1HE MET 109 3.334 -5.761 2.945 259 2HE MET 109 2HE MET 109 4.560 -4.622 2.393 260 3HE MET 109 3HE MET 109 3.510 -4.207 3.755 261 H THR 110 H THR 110 -0.552 -4.626 7.218 262 HA THR 110 HA THR 110 0.641 -7.304 7.571 263 HB THR 110 HB THR 110 -0.060 -5.044 9.442 264 HG1 THR 110 HG1 THR 110 2.273 -5.548 9.890 265 1HG2 THR 110 1HG2 THR 110 0.481 -7.925 10.028 266 2HG2 THR 110 2HG2 THR 110 1.098 -6.694 11.132 267 3HG2 THR 110 3HG2 THR 110 -0.634 -6.810 10.819 268 H ASN 111 H ASN 111 -2.476 -5.943 7.311 269 HA ASN 111 HA ASN 111 -3.609 -8.326 8.709 270 1HB ASN 111 1HB ASN 111 -5.655 -7.001 9.117 271 2HB ASN 111 2HB ASN 111 -4.244 -6.260 9.866 272 1HD2 ASN 111 1HD2 ASN 111 -4.861 -3.228 8.222 273 2HD2 ASN 111 2HD2 ASN 111 -4.323 -4.041 9.613 274 H LEU 112 H LEU 112 -3.966 -6.151 5.900 275 HA LEU 112 HA LEU 112 -6.137 -7.447 4.680 276 1HB LEU 112 1HB LEU 112 -5.170 -6.704 2.492 277 2HB LEU 112 2HB LEU 112 -5.308 -5.431 3.688 278 HG LEU 112 HG LEU 112 -3.094 -5.000 3.587 279 1HD1 LEU 112 1HD1 LEU 112 -2.553 -7.989 3.705 280 2HD1 LEU 112 2HD1 LEU 112 -1.328 -6.743 3.775 281 3HD1 LEU 112 3HD1 LEU 112 -2.502 -6.878 5.067 282 1HD2 LEU 112 1HD2 LEU 112 -3.303 -7.029 1.360 283 2HD2 LEU 112 2HD2 LEU 112 -3.433 -5.274 1.239 284 3HD2 LEU 112 3HD2 LEU 112 -1.882 -6.019 1.622 285 H GLY 113 H GLY 113 -5.572 -8.688 2.374 286 1HA GLY 113 1HA GLY 113 -4.995 -11.336 3.066 287 2HA GLY 113 2HA GLY 113 -4.815 -10.705 1.430 288 H GLU 114 H GLU 114 -2.733 -8.804 2.027 289 HA GLU 114 HA GLU 114 -0.423 -10.311 1.586 290 1HB GLU 114 1HB GLU 114 -1.039 -7.570 2.163 291 2HB GLU 114 2HB GLU 114 0.387 -8.044 3.091 292 1HG GLU 114 1HG GLU 114 0.220 -8.891 0.227 293 2HG GLU 114 2HG GLU 114 0.596 -7.203 0.570 294 H LYS 115 H LYS 115 -0.800 -8.582 4.694 295 HA LYS 115 HA LYS 115 -0.314 -9.312 6.880 296 1HB LYS 115 1HB LYS 115 -1.366 -11.581 5.612 297 2HB LYS 115 2HB LYS 115 0.158 -12.129 6.311 298 1HG LYS 115 1HG LYS 115 -0.514 -11.670 8.485 299 2HG LYS 115 2HG LYS 115 -1.655 -10.425 7.979 300 1HD LYS 115 1HD LYS 115 -3.171 -12.119 7.089 301 2HD LYS 115 2HD LYS 115 -2.011 -13.393 7.468 302 1HE LYS 115 1HE LYS 115 -2.562 -13.408 9.675 303 2HE LYS 115 2HE LYS 115 -2.686 -11.651 9.749 304 1HZ LYS 115 1HZ LYS 115 -4.718 -13.193 8.289 305 2HZ LYS 115 2HZ LYS 115 -4.799 -13.097 9.983 306 3HZ LYS 115 3HZ LYS 115 -4.856 -11.683 9.047 307 H LEU 116 H LEU 116 1.728 -8.822 7.607 308 HA LEU 116 HA LEU 116 3.981 -10.483 7.184 309 1HB LEU 116 1HB LEU 116 5.251 -9.358 5.559 310 2HB LEU 116 2HB LEU 116 3.628 -9.313 4.870 311 HG LEU 116 HG LEU 116 4.879 -7.101 6.513 312 1HD1 LEU 116 1HD1 LEU 116 5.926 -7.394 4.280 313 2HD1 LEU 116 2HD1 LEU 116 4.334 -7.261 3.534 314 3HD1 LEU 116 3HD1 LEU 116 5.024 -5.884 4.392 315 1HD2 LEU 116 1HD2 LEU 116 2.278 -7.279 4.961 316 2HD2 LEU 116 2HD2 LEU 116 2.437 -7.215 6.716 317 3HD2 LEU 116 3HD2 LEU 116 2.891 -5.820 5.738 318 H THR 117 H THR 117 5.153 -10.097 8.902 319 HA THR 117 HA THR 117 4.728 -8.428 10.998 320 HB THR 117 HB THR 117 7.606 -8.556 10.400 321 HG1 THR 117 HG1 THR 117 6.309 -11.009 10.785 322 1HG2 THR 117 1HG2 THR 117 5.846 -8.646 12.616 323 2HG2 THR 117 2HG2 THR 117 6.677 -10.201 12.569 324 3HG2 THR 117 3HG2 THR 117 7.608 -8.705 12.640 325 H ASP 118 H ASP 118 5.754 -6.425 11.751 326 HA ASP 118 HA ASP 118 5.469 -4.278 9.888 327 1HB ASP 118 1HB ASP 118 5.123 -3.953 12.279 328 2HB ASP 118 2HB ASP 118 6.807 -4.370 12.605 329 H GLU 119 H GLU 119 8.191 -6.294 10.670 330 HA GLU 119 HA GLU 119 10.162 -4.361 9.681 331 1HB GLU 119 1HB GLU 119 10.339 -7.277 10.482 332 2HB GLU 119 2HB GLU 119 11.720 -6.372 9.860 333 1HG GLU 119 1HG GLU 119 10.225 -5.018 12.019 334 2HG GLU 119 2HG GLU 119 11.051 -6.498 12.506 335 H GLU 120 H GLU 120 8.210 -6.930 8.378 336 HA GLU 120 HA GLU 120 9.812 -7.173 5.928 337 1HB GLU 120 1HB GLU 120 6.991 -8.180 6.330 338 2HB GLU 120 2HB GLU 120 8.240 -8.828 5.265 339 1HG GLU 120 1HG GLU 120 9.506 -9.004 7.667 340 2HG GLU 120 2HG GLU 120 7.832 -9.244 8.170 341 H VAL 121 H VAL 121 7.122 -5.317 7.098 342 HA VAL 121 HA VAL 121 6.344 -4.453 4.383 343 HB VAL 121 HB VAL 121 4.559 -4.809 6.005 344 1HG1 VAL 121 1HG1 VAL 121 6.270 -3.945 7.909 345 2HG1 VAL 121 2HG1 VAL 121 5.335 -2.475 7.663 346 3HG1 VAL 121 3HG1 VAL 121 4.525 -3.969 8.133 347 1HG2 VAL 121 1HG2 VAL 121 4.803 -2.652 4.378 348 2HG2 VAL 121 2HG2 VAL 121 3.354 -3.018 5.315 349 3HG2 VAL 121 3HG2 VAL 121 4.534 -1.861 5.932 350 H ASP 122 H ASP 122 7.745 -3.022 7.334 351 HA ASP 122 HA ASP 122 8.029 -0.376 6.309 352 1HB ASP 122 1HB ASP 122 8.623 -1.670 8.699 353 2HB ASP 122 2HB ASP 122 10.206 -1.202 8.081 354 H GLU 123 H GLU 123 10.382 -3.072 6.391 355 HA GLU 123 HA GLU 123 12.414 -1.648 4.947 356 1HB GLU 123 1HB GLU 123 11.960 -4.389 5.891 357 2HB GLU 123 2HB GLU 123 12.852 -4.316 4.371 358 1HG GLU 123 1HG GLU 123 14.088 -2.326 5.749 359 2HG GLU 123 2HG GLU 123 13.654 -3.406 7.075 360 H MET 124 H MET 124 9.694 -3.662 3.923 361 HA MET 124 HA MET 124 10.521 -3.760 1.138 362 1HB MET 124 1HB MET 124 8.903 -5.359 2.365 363 2HB MET 124 2HB MET 124 7.689 -4.100 2.134 364 1HG MET 124 1HG MET 124 7.578 -4.435 -0.132 365 2HG MET 124 2HG MET 124 9.289 -4.840 -0.260 366 1HE MET 124 1HE MET 124 10.231 -6.533 1.084 367 2HE MET 124 2HE MET 124 9.386 -7.830 1.926 368 3HE MET 124 3HE MET 124 9.964 -8.088 0.283 369 H ILE 125 H ILE 125 8.978 -1.425 3.136 370 HA ILE 125 HA ILE 125 7.410 -0.085 1.142 371 HB ILE 125 HB ILE 125 7.967 0.182 3.901 372 1HG1 ILE 125 1HG1 ILE 125 6.203 2.229 2.867 373 2HG1 ILE 125 2HG1 ILE 125 5.930 0.689 2.045 374 1HG2 ILE 125 1HG2 ILE 125 8.728 2.651 2.342 375 2HG2 ILE 125 2HG2 ILE 125 8.093 2.752 3.980 376 3HG2 ILE 125 3HG2 ILE 125 9.593 1.883 3.668 377 1HD1 ILE 125 1HD1 ILE 125 6.321 0.526 4.979 378 2HD1 ILE 125 2HD1 ILE 125 4.833 1.310 4.453 379 3HD1 ILE 125 3HD1 ILE 125 5.188 -0.341 3.947 380 H ARG 126 H ARG 126 10.784 -0.328 1.527 381 HA ARG 126 HA ARG 126 11.513 2.257 0.453 382 1HB ARG 126 1HB ARG 126 13.115 -0.285 0.106 383 2HB ARG 126 2HB ARG 126 13.711 1.369 0.234 384 1HG ARG 126 1HG ARG 126 12.101 0.512 2.544 385 2HG ARG 126 2HG ARG 126 13.585 -0.416 2.325 386 1HD ARG 126 1HD ARG 126 14.954 1.473 2.548 387 2HD ARG 126 2HD ARG 126 13.645 2.586 2.150 388 HE ARG 126 HE ARG 126 13.467 1.038 4.683 389 1HH1 ARG 126 1HH1 ARG 126 12.005 3.593 3.415 390 2HH1 ARG 126 2HH1 ARG 126 12.517 4.777 4.570 391 1HH2 ARG 126 1HH2 ARG 126 14.935 2.734 5.987 392 2HH2 ARG 126 2HH2 ARG 126 14.177 4.291 6.027 393 H GLU 127 H GLU 127 9.826 -0.298 -0.875 394 HA GLU 127 HA GLU 127 10.862 0.090 -3.619 395 1HB GLU 127 1HB GLU 127 10.573 -2.210 -2.995 396 2HB GLU 127 2HB GLU 127 8.954 -1.894 -2.364 397 1HG GLU 127 1HG GLU 127 8.122 -1.405 -4.593 398 2HG GLU 127 2HG GLU 127 9.746 -1.527 -5.269 399 H ALA 128 H ALA 128 7.738 0.237 -1.818 400 HA ALA 128 HA ALA 128 6.369 1.316 -4.154 401 1HB ALA 128 1HB ALA 128 5.663 0.474 -1.434 402 2HB ALA 128 2HB ALA 128 4.757 1.884 -1.984 403 3HB ALA 128 3HB ALA 128 4.711 0.390 -2.928 404 H ASP 129 H ASP 129 7.178 2.750 -0.955 405 HA ASP 129 HA ASP 129 6.718 5.439 -2.097 406 1HB ASP 129 1HB ASP 129 7.247 6.183 0.257 407 2HB ASP 129 2HB ASP 129 5.875 5.084 0.136 408 H ILE 130 H ILE 130 8.446 5.913 -3.456 409 HA ILE 130 HA ILE 130 10.977 6.619 -2.229 410 HB ILE 130 HB ILE 130 12.269 5.027 -3.829 411 1HG1 ILE 130 1HG1 ILE 130 9.860 3.268 -3.472 412 2HG1 ILE 130 2HG1 ILE 130 9.928 4.387 -4.836 413 1HG2 ILE 130 1HG2 ILE 130 11.826 4.909 -1.201 414 2HG2 ILE 130 2HG2 ILE 130 10.938 3.458 -1.665 415 3HG2 ILE 130 3HG2 ILE 130 12.652 3.604 -2.053 416 1HD1 ILE 130 1HD1 ILE 130 12.313 3.386 -5.215 417 2HD1 ILE 130 2HD1 ILE 130 11.730 2.056 -4.215 418 3HD1 ILE 130 3HD1 ILE 130 10.908 2.450 -5.725 419 H ASP 131 H ASP 131 11.601 8.387 -3.387 420 HA ASP 131 HA ASP 131 12.211 9.644 -5.300 421 1HB ASP 131 1HB ASP 131 10.781 7.657 -7.046 422 2HB ASP 131 2HB ASP 131 12.149 8.697 -7.449 423 H GLY 132 H GLY 132 9.058 8.087 -6.005 424 1HA GLY 132 1HA GLY 132 7.870 10.307 -7.247 425 2HA GLY 132 2HA GLY 132 6.961 9.055 -6.403 426 H ASP 133 H ASP 133 5.742 9.801 -4.777 427 HA ASP 133 HA ASP 133 6.764 11.789 -2.890 428 1HB ASP 133 1HB ASP 133 5.336 12.697 -5.168 429 2HB ASP 133 2HB ASP 133 4.240 12.836 -3.792 430 H GLY 134 H GLY 134 4.454 12.550 -1.647 431 1HA GLY 134 1HA GLY 134 3.073 11.678 0.060 432 2HA GLY 134 2HA GLY 134 2.311 10.851 -1.299 433 H GLN 135 H GLN 135 5.224 10.541 0.752 434 HA GLN 135 HA GLN 135 6.463 8.472 1.060 435 1HB GLN 135 1HB GLN 135 3.892 8.259 2.652 436 2HB GLN 135 2HB GLN 135 5.397 7.414 3.015 437 1HG GLN 135 1HG GLN 135 6.118 10.116 2.720 438 2HG GLN 135 2HG GLN 135 4.631 10.131 3.669 439 1HE2 GLN 135 1HE2 GLN 135 7.864 9.398 5.705 440 2HE2 GLN 135 2HE2 GLN 135 7.681 10.432 4.371 441 H VAL 136 H VAL 136 3.720 6.563 1.825 442 HA VAL 136 HA VAL 136 4.180 5.028 -0.693 443 HB VAL 136 HB VAL 136 2.616 3.597 1.276 444 1HG1 VAL 136 1HG1 VAL 136 4.842 3.258 -0.561 445 2HG1 VAL 136 2HG1 VAL 136 5.138 2.416 0.961 446 3HG1 VAL 136 3HG1 VAL 136 3.687 2.060 0.022 447 1HG2 VAL 136 1HG2 VAL 136 5.184 4.896 2.191 448 2HG2 VAL 136 2HG2 VAL 136 3.660 4.730 3.065 449 3HG2 VAL 136 3HG2 VAL 136 4.697 3.325 2.829 450 H ASN 137 H ASN 137 2.664 5.694 -2.146 451 HA ASN 137 HA ASN 137 -0.061 6.313 -1.207 452 1HB ASN 137 1HB ASN 137 -0.395 6.762 -3.723 453 2HB ASN 137 2HB ASN 137 0.682 7.841 -2.842 454 1HD2 ASN 137 1HD2 ASN 137 2.207 5.368 -5.712 455 2HD2 ASN 137 2HD2 ASN 137 0.586 5.224 -5.227 456 H TYR 138 H TYR 138 -1.548 5.403 -3.428 457 HA TYR 138 HA TYR 138 -1.655 2.542 -2.762 458 1HB TYR 138 1HB TYR 138 -3.448 4.326 -4.428 459 2HB TYR 138 2HB TYR 138 -3.724 2.606 -4.184 460 HD1 TYR 138 HD1 TYR 138 -2.716 5.516 -2.041 461 HD2 TYR 138 HD2 TYR 138 -5.247 2.111 -2.568 462 HE1 TYR 138 HE1 TYR 138 -3.736 5.956 0.169 463 HE2 TYR 138 HE2 TYR 138 -6.297 2.547 -0.354 464 HH TYR 138 HH TYR 138 -5.002 4.971 1.827 465 H GLU 139 H GLU 139 -1.139 4.597 -5.570 466 HA GLU 139 HA GLU 139 -1.019 2.611 -7.534 467 1HB GLU 139 1HB GLU 139 1.020 4.819 -7.577 468 2HB GLU 139 2HB GLU 139 0.060 4.171 -8.906 469 1HG GLU 139 1HG GLU 139 -1.956 5.113 -7.449 470 2HG GLU 139 2HG GLU 139 -0.697 6.177 -6.820 471 H GLU 140 H GLU 140 1.217 3.427 -4.996 472 HA GLU 140 HA GLU 140 3.237 1.523 -6.066 473 1HB GLU 140 1HB GLU 140 3.283 3.788 -4.115 474 2HB GLU 140 2HB GLU 140 4.429 2.472 -3.872 475 1HG GLU 140 1HG GLU 140 5.677 3.085 -5.657 476 2HG GLU 140 2HG GLU 140 4.252 3.327 -6.668 477 H PHE 141 H PHE 141 0.978 2.034 -3.423 478 HA PHE 141 HA PHE 141 1.886 -0.152 -1.734 479 1HB PHE 141 1HB PHE 141 0.405 1.724 -0.981 480 2HB PHE 141 2HB PHE 141 -0.882 1.081 -1.993 481 HD1 PHE 141 HD1 PHE 141 1.523 -0.095 0.639 482 HD2 PHE 141 HD2 PHE 141 -2.444 -0.317 -0.988 483 HE1 PHE 141 HE1 PHE 141 0.832 -1.580 2.500 484 HE2 PHE 141 HE2 PHE 141 -3.123 -1.803 0.882 485 HZ PHE 141 HZ PHE 141 -1.478 -2.418 2.629 486 H VAL 142 H VAL 142 0.373 -0.050 -4.779 487 HA VAL 142 HA VAL 142 -1.225 -2.476 -4.484 488 HB VAL 142 HB VAL 142 -1.967 -0.852 -6.108 489 1HG1 VAL 142 1HG1 VAL 142 0.805 -0.499 -6.542 490 2HG1 VAL 142 2HG1 VAL 142 0.140 -1.071 -8.071 491 3HG1 VAL 142 3HG1 VAL 142 -0.516 0.379 -7.312 492 1HG2 VAL 142 1HG2 VAL 142 -1.758 -3.485 -6.636 493 2HG2 VAL 142 2HG2 VAL 142 -2.448 -2.345 -7.792 494 3HG2 VAL 142 3HG2 VAL 142 -0.769 -2.860 -7.957 495 H GLN 143 H GLN 143 2.013 -1.640 -5.691 496 HA GLN 143 HA GLN 143 2.456 -4.455 -6.536 497 1HB GLN 143 1HB GLN 143 3.523 -2.888 -7.994 498 2HB GLN 143 2HB GLN 143 4.126 -1.928 -6.643 499 1HG GLN 143 1HG GLN 143 5.626 -3.753 -5.982 500 2HG GLN 143 2HG GLN 143 4.991 -4.766 -7.280 501 1HE2 GLN 143 1HE2 GLN 143 7.002 -1.435 -8.607 502 2HE2 GLN 143 2HE2 GLN 143 5.832 -1.271 -7.389 503 H MET 144 H MET 144 3.103 -2.178 -4.051 504 HA MET 144 HA MET 144 5.142 -3.349 -2.546 505 1HB MET 144 1HB MET 144 4.248 -1.155 -2.053 506 2HB MET 144 2HB MET 144 2.642 -1.820 -1.796 507 1HG MET 144 1HG MET 144 3.229 -1.745 0.368 508 2HG MET 144 2HG MET 144 4.063 -3.259 0.005 509 1HE MET 144 1HE MET 144 5.959 -1.718 -2.178 510 2HE MET 144 2HE MET 144 7.479 -1.522 -1.298 511 3HE MET 144 3HE MET 144 6.623 -3.059 -1.249 512 H MET 145 H MET 145 1.846 -4.357 -3.038 513 HA MET 145 HA MET 145 1.967 -6.246 -0.753 514 1HB MET 145 1HB MET 145 -0.324 -6.144 -2.686 515 2HB MET 145 2HB MET 145 -0.341 -6.456 -0.951 516 1HG MET 145 1HG MET 145 0.703 -3.840 -1.283 517 2HG MET 145 2HG MET 145 -0.710 -3.954 -2.331 518 1HE MET 145 1HE MET 145 -2.659 -3.779 -1.934 519 2HE MET 145 2HE MET 145 -3.352 -5.058 -0.930 520 3HE MET 145 3HE MET 145 -3.490 -3.373 -0.435 521 H THR 146 H THR 146 1.192 -6.422 -4.251 522 HA THR 146 HA THR 146 1.882 -9.296 -4.222 523 HB THR 146 HB THR 146 -0.067 -8.810 -5.506 524 HG1 THR 146 HG1 THR 146 1.737 -8.757 -7.612 525 1HG2 THR 146 1HG2 THR 146 1.534 -6.442 -6.335 526 2HG2 THR 146 2HG2 THR 146 0.408 -7.099 -7.522 527 3HG2 THR 146 3HG2 THR 146 -0.183 -6.560 -5.950 528 H ALA 147 H ALA 147 4.011 -7.365 -3.752 529 HA ALA 147 HA ALA 147 5.535 -6.993 -6.183 530 1HB ALA 147 1HB ALA 147 5.791 -6.310 -3.400 531 2HB ALA 147 2HB ALA 147 7.293 -7.051 -3.953 532 3HB ALA 147 3HB ALA 147 6.652 -5.632 -4.781 533 H LYS 148 H LYS 148 6.794 -8.805 -3.402 534 HA LYS 148 HA LYS 148 6.963 -11.307 -4.892 535 1HB LYS 148 1HB LYS 148 9.487 -11.350 -4.840 536 2HB LYS 148 2HB LYS 148 8.811 -10.185 -5.979 537 1HG LYS 148 1HG LYS 148 10.162 -8.679 -4.956 538 2HG LYS 148 2HG LYS 148 8.966 -8.706 -3.661 539 1HD LYS 148 1HD LYS 148 10.462 -10.924 -3.064 540 2HD LYS 148 2HD LYS 148 11.686 -9.841 -3.729 541 1HE LYS 148 1HE LYS 148 9.803 -8.529 -1.884 542 2HE LYS 148 2HE LYS 148 10.797 -9.776 -1.130 543 1HZ LYS 148 1HZ LYS 148 12.368 -8.209 -2.877 544 2HZ LYS 148 2HZ LYS 148 11.548 -7.194 -1.794 545 3HZ LYS 148 3HZ LYS 148 12.541 -8.439 -1.203 No H/Q in entry = 545 Start of MODEL 18 Raw file had 555 H/Q atoms Start of MODEL 18 1 1H MET 76 1H MET 76 -11.425 -4.125 -21.484 2 2H MET 76 2H MET 76 -12.963 -4.696 -21.928 3 3H MET 76 3H MET 76 -12.708 -4.052 -20.376 4 HA MET 76 HA MET 76 -12.773 -6.391 -20.129 5 1HB MET 76 1HB MET 76 -11.275 -6.244 -22.669 6 2HB MET 76 2HB MET 76 -10.693 -7.472 -21.546 7 1HG MET 76 1HG MET 76 -13.400 -7.817 -21.352 8 2HG MET 76 2HG MET 76 -13.234 -7.346 -23.042 9 1HE MET 76 1HE MET 76 -14.391 -9.635 -21.878 10 2HE MET 76 2HE MET 76 -14.069 -10.596 -23.318 11 3HE MET 76 3HE MET 76 -13.517 -11.166 -21.746 12 H LYS 77 H LYS 77 -11.612 -4.384 -18.662 13 HA LYS 77 HA LYS 77 -9.501 -5.755 -17.289 14 1HB LYS 77 1HB LYS 77 -8.130 -5.075 -19.193 15 2HB LYS 77 2HB LYS 77 -8.671 -3.406 -19.019 16 1HG LYS 77 1HG LYS 77 -7.352 -3.022 -17.178 17 2HG LYS 77 2HG LYS 77 -7.483 -4.686 -16.608 18 1HD LYS 77 1HD LYS 77 -5.703 -5.403 -17.861 19 2HD LYS 77 2HD LYS 77 -6.050 -4.284 -19.181 20 1HE LYS 77 1HE LYS 77 -4.561 -2.800 -18.380 21 2HE LYS 77 2HE LYS 77 -5.352 -2.804 -16.804 22 1HZ LYS 77 1HZ LYS 77 -4.145 -4.909 -16.335 23 2HZ LYS 77 2HZ LYS 77 -3.274 -4.685 -17.773 24 3HZ LYS 77 3HZ LYS 77 -3.133 -3.556 -16.511 25 H ASP 78 H ASP 78 -11.485 -4.987 -15.940 26 HA ASP 78 HA ASP 78 -11.471 -2.154 -15.191 27 1HB ASP 78 1HB ASP 78 -13.372 -4.127 -15.082 28 2HB ASP 78 2HB ASP 78 -12.833 -4.067 -13.403 29 H THR 79 H THR 79 -11.700 -2.161 -12.459 30 HA THR 79 HA THR 79 -8.957 -2.393 -11.612 31 HB THR 79 HB THR 79 -11.052 -2.336 -9.517 32 HG1 THR 79 HG1 THR 79 -12.229 -1.058 -10.718 33 1HG2 THR 79 1HG2 THR 79 -8.671 -1.841 -9.088 34 2HG2 THR 79 2HG2 THR 79 -8.744 -0.509 -10.241 35 3HG2 THR 79 3HG2 THR 79 -9.686 -0.437 -8.752 36 H ASP 80 H ASP 80 -8.219 -4.526 -11.764 37 HA ASP 80 HA ASP 80 -9.698 -6.543 -10.124 38 1HB ASP 80 1HB ASP 80 -9.103 -6.787 -12.739 39 2HB ASP 80 2HB ASP 80 -7.602 -7.409 -12.053 40 H SER 81 H SER 81 -7.475 -4.462 -9.476 41 HA SER 81 HA SER 81 -5.780 -6.417 -7.999 42 1HB SER 81 1HB SER 81 -4.508 -3.924 -9.059 43 2HB SER 81 2HB SER 81 -3.777 -5.485 -8.699 44 HG SER 81 HG SER 81 -4.057 -4.967 -10.982 45 H GLU 82 H GLU 82 -5.961 -2.840 -8.302 46 HA GLU 82 HA GLU 82 -5.738 -2.604 -5.401 47 1HB GLU 82 1HB GLU 82 -6.621 -0.230 -6.944 48 2HB GLU 82 2HB GLU 82 -5.332 -0.382 -5.748 49 1HG GLU 82 1HG GLU 82 -3.977 -0.187 -7.576 50 2HG GLU 82 2HG GLU 82 -4.311 -1.911 -7.750 51 H GLU 83 H GLU 83 -8.252 -3.562 -7.251 52 HA GLU 83 HA GLU 83 -10.419 -1.938 -6.346 53 1HB GLU 83 1HB GLU 83 -11.761 -3.455 -7.414 54 2HB GLU 83 2HB GLU 83 -10.231 -4.014 -8.081 55 1HG GLU 83 1HG GLU 83 -10.057 -5.724 -6.356 56 2HG GLU 83 2HG GLU 83 -11.511 -5.113 -5.569 57 H GLU 84 H GLU 84 -8.627 -4.560 -4.889 58 HA GLU 84 HA GLU 84 -10.382 -4.476 -2.488 59 1HB GLU 84 1HB GLU 84 -9.500 -6.585 -1.901 60 2HB GLU 84 2HB GLU 84 -9.598 -6.671 -3.659 61 1HG GLU 84 1HG GLU 84 -7.427 -7.401 -3.362 62 2HG GLU 84 2HG GLU 84 -7.138 -5.666 -3.493 63 H ILE 85 H ILE 85 -7.411 -3.333 -3.721 64 HA ILE 85 HA ILE 85 -5.935 -3.117 -1.232 65 HB ILE 85 HB ILE 85 -5.688 -1.608 -3.847 66 1HG1 ILE 85 1HG1 ILE 85 -4.324 -4.066 -2.712 67 2HG1 ILE 85 2HG1 ILE 85 -5.252 -3.947 -4.202 68 1HG2 ILE 85 1HG2 ILE 85 -3.904 -1.751 -1.410 69 2HG2 ILE 85 2HG2 ILE 85 -3.396 -1.087 -2.964 70 3HG2 ILE 85 3HG2 ILE 85 -4.707 -0.323 -2.059 71 1HD1 ILE 85 1HD1 ILE 85 -2.728 -2.349 -3.731 72 2HD1 ILE 85 2HD1 ILE 85 -2.721 -3.940 -4.490 73 3HD1 ILE 85 3HD1 ILE 85 -3.578 -2.602 -5.255 74 H ARG 86 H ARG 86 -7.550 -0.660 -3.259 75 HA ARG 86 HA ARG 86 -7.325 1.614 -1.806 76 1HB ARG 86 1HB ARG 86 -9.032 0.754 -3.788 77 2HB ARG 86 2HB ARG 86 -10.145 1.082 -2.452 78 1HG ARG 86 1HG ARG 86 -8.009 3.060 -3.182 79 2HG ARG 86 2HG ARG 86 -9.521 3.021 -4.077 80 1HD ARG 86 1HD ARG 86 -9.316 3.287 -1.061 81 2HD ARG 86 2HD ARG 86 -9.592 4.631 -2.171 82 HE ARG 86 HE ARG 86 -11.569 2.636 -1.373 83 1HH1 ARG 86 1HH1 ARG 86 -12.223 2.182 -3.992 84 2HH1 ARG 86 2HH1 ARG 86 -13.052 3.590 -4.568 85 1HH2 ARG 86 1HH2 ARG 86 -11.907 5.632 -2.010 86 2HH2 ARG 86 2HH2 ARG 86 -12.873 5.544 -3.445 87 H GLU 87 H GLU 87 -9.840 -0.841 -1.133 88 HA GLU 87 HA GLU 87 -10.747 0.505 1.238 89 1HB GLU 87 1HB GLU 87 -11.809 -1.758 1.762 90 2HB GLU 87 2HB GLU 87 -12.255 -1.050 0.209 91 1HG GLU 87 1HG GLU 87 -11.498 -2.894 -0.827 92 2HG GLU 87 2HG GLU 87 -9.880 -2.554 -0.212 93 H ALA 88 H ALA 88 -8.324 -2.008 0.675 94 HA ALA 88 HA ALA 88 -7.812 -2.272 3.569 95 1HB ALA 88 1HB ALA 88 -7.132 -3.756 1.151 96 2HB ALA 88 2HB ALA 88 -5.716 -3.497 2.171 97 3HB ALA 88 3HB ALA 88 -7.140 -4.304 2.828 98 H PHE 89 H PHE 89 -7.510 0.295 3.106 99 HA PHE 89 HA PHE 89 -4.917 1.030 3.838 100 1HB PHE 89 1HB PHE 89 -4.885 0.223 1.167 101 2HB PHE 89 2HB PHE 89 -5.005 1.978 1.067 102 HD1 PHE 89 HD1 PHE 89 -3.327 -0.187 3.607 103 HD2 PHE 89 HD2 PHE 89 -2.834 2.758 0.543 104 HE1 PHE 89 HE1 PHE 89 -0.949 0.014 4.180 105 HE2 PHE 89 HE2 PHE 89 -0.441 2.939 1.092 106 HZ PHE 89 HZ PHE 89 0.522 1.550 2.912 107 H ARG 90 H ARG 90 -7.945 1.778 2.292 108 HA ARG 90 HA ARG 90 -7.677 4.600 2.224 109 1HB ARG 90 1HB ARG 90 -9.850 4.626 1.493 110 2HB ARG 90 2HB ARG 90 -9.525 2.924 1.236 111 1HG ARG 90 1HG ARG 90 -10.758 4.034 3.765 112 2HG ARG 90 2HG ARG 90 -11.677 3.359 2.415 113 1HD ARG 90 1HD ARG 90 -9.617 1.514 3.081 114 2HD ARG 90 2HD ARG 90 -10.465 1.952 4.565 115 HE ARG 90 HE ARG 90 -12.078 1.203 2.180 116 1HH1 ARG 90 1HH1 ARG 90 -10.552 0.121 5.048 117 2HH1 ARG 90 2HH1 ARG 90 -11.866 -0.895 5.538 118 1HH2 ARG 90 1HH2 ARG 90 -13.945 0.088 2.943 119 2HH2 ARG 90 2HH2 ARG 90 -13.787 -0.914 4.347 120 H VAL 91 H VAL 91 -7.969 2.374 4.747 121 HA VAL 91 HA VAL 91 -9.448 3.684 6.701 122 HB VAL 91 HB VAL 91 -6.815 2.217 7.055 123 1HG1 VAL 91 1HG1 VAL 91 -8.962 3.136 8.956 124 2HG1 VAL 91 2HG1 VAL 91 -7.995 1.707 9.324 125 3HG1 VAL 91 3HG1 VAL 91 -7.209 3.272 9.113 126 1HG2 VAL 91 1HG2 VAL 91 -9.032 1.212 5.901 127 2HG2 VAL 91 2HG2 VAL 91 -7.990 0.245 6.947 128 3HG2 VAL 91 3HG2 VAL 91 -9.465 0.966 7.594 129 H PHE 92 H PHE 92 -6.370 4.485 5.326 130 HA PHE 92 HA PHE 92 -6.073 6.763 7.236 131 1HB PHE 92 1HB PHE 92 -3.972 5.498 5.457 132 2HB PHE 92 2HB PHE 92 -3.705 6.668 6.751 133 HD1 PHE 92 HD1 PHE 92 -4.044 6.024 9.125 134 HD2 PHE 92 HD2 PHE 92 -4.387 3.162 5.943 135 HE1 PHE 92 HE1 PHE 92 -3.898 4.174 10.772 136 HE2 PHE 92 HE2 PHE 92 -4.245 1.315 7.589 137 HZ PHE 92 HZ PHE 92 -4.001 1.816 10.000 138 H ASP 93 H ASP 93 -5.609 5.806 3.838 139 HA ASP 93 HA ASP 93 -5.956 8.637 3.012 140 1HB ASP 93 1HB ASP 93 -5.351 7.117 0.737 141 2HB ASP 93 2HB ASP 93 -4.224 8.133 1.631 142 H LYS 94 H LYS 94 -8.218 7.637 3.890 143 HA LYS 94 HA LYS 94 -9.972 5.992 2.725 144 1HB LYS 94 1HB LYS 94 -10.791 8.886 2.881 145 2HB LYS 94 2HB LYS 94 -11.740 7.449 3.266 146 1HG LYS 94 1HG LYS 94 -9.765 7.093 5.040 147 2HG LYS 94 2HG LYS 94 -9.671 8.848 4.899 148 1HD LYS 94 1HD LYS 94 -12.302 7.436 5.354 149 2HD LYS 94 2HD LYS 94 -11.260 7.912 6.697 150 1HE LYS 94 1HE LYS 94 -11.558 10.181 6.305 151 2HE LYS 94 2HE LYS 94 -11.906 9.945 4.593 152 1HZ LYS 94 1HZ LYS 94 -14.027 8.959 5.196 153 2HZ LYS 94 2HZ LYS 94 -13.693 9.192 6.842 154 3HZ LYS 94 3HZ LYS 94 -13.897 10.534 5.821 155 H ASP 95 H ASP 95 -9.511 9.224 1.255 156 HA ASP 95 HA ASP 95 -9.300 8.172 -1.417 157 1HB ASP 95 1HB ASP 95 -11.857 7.997 -0.591 158 2HB ASP 95 2HB ASP 95 -11.859 9.674 -1.135 159 H GLY 96 H GLY 96 -8.136 10.179 0.438 160 1HA GLY 96 1HA GLY 96 -8.358 12.519 -1.396 161 2HA GLY 96 2HA GLY 96 -8.427 12.757 0.347 162 H ASN 97 H ASN 97 -6.323 10.456 0.599 163 HA ASN 97 HA ASN 97 -4.033 12.284 0.003 164 1HB ASN 97 1HB ASN 97 -4.198 9.965 1.948 165 2HB ASN 97 2HB ASN 97 -2.826 11.054 1.753 166 1HD2 ASN 97 1HD2 ASN 97 -6.242 12.496 3.541 167 2HD2 ASN 97 2HD2 ASN 97 -6.358 11.172 2.485 168 H GLY 98 H GLY 98 -4.850 8.812 -0.022 169 1HA GLY 98 1HA GLY 98 -4.284 7.208 -1.680 170 2HA GLY 98 2HA GLY 98 -3.317 8.445 -2.496 171 H TYR 99 H TYR 99 -1.391 9.201 -1.164 172 HA TYR 99 HA TYR 99 0.212 6.889 -0.382 173 1HB TYR 99 1HB TYR 99 2.035 8.369 -0.468 174 2HB TYR 99 2HB TYR 99 0.934 9.019 -1.682 175 HD1 TYR 99 HD1 TYR 99 1.955 9.371 1.893 176 HD2 TYR 99 HD2 TYR 99 0.086 11.217 -1.505 177 HE1 TYR 99 HE1 TYR 99 1.873 11.527 3.111 178 HE2 TYR 99 HE2 TYR 99 0.003 13.375 -0.287 179 HH TYR 99 HH TYR 99 0.552 13.620 3.054 180 H ILE 100 H ILE 100 1.167 6.623 1.720 181 HA ILE 100 HA ILE 100 -0.030 8.301 3.852 182 HB ILE 100 HB ILE 100 -0.033 5.786 5.010 183 1HG1 ILE 100 1HG1 ILE 100 -0.970 5.582 2.126 184 2HG1 ILE 100 2HG1 ILE 100 0.247 4.593 2.927 185 1HG2 ILE 100 1HG2 ILE 100 -1.989 7.744 3.944 186 2HG2 ILE 100 2HG2 ILE 100 -2.630 6.155 4.329 187 3HG2 ILE 100 3HG2 ILE 100 -1.819 7.098 5.573 188 1HD1 ILE 100 1HD1 ILE 100 -2.259 4.534 4.393 189 2HD1 ILE 100 2HD1 ILE 100 -2.476 4.015 2.721 190 3HD1 ILE 100 3HD1 ILE 100 -1.305 3.205 3.760 191 H SER 101 H SER 101 1.794 5.306 4.389 192 HA SER 101 HA SER 101 4.387 6.466 4.496 193 1HB SER 101 1HB SER 101 3.491 7.914 6.233 194 2HB SER 101 2HB SER 101 2.850 6.524 7.103 195 HG SER 101 HG SER 101 5.197 7.595 7.399 196 H ALA 102 H ALA 102 5.931 5.071 5.759 197 HA ALA 102 HA ALA 102 5.495 2.314 5.273 198 1HB ALA 102 1HB ALA 102 7.641 3.837 6.089 199 2HB ALA 102 2HB ALA 102 7.287 2.893 7.537 200 3HB ALA 102 3HB ALA 102 7.633 2.075 6.013 201 H ALA 103 H ALA 103 4.565 4.357 7.924 202 HA ALA 103 HA ALA 103 4.064 2.219 9.821 203 1HB ALA 103 1HB ALA 103 3.781 5.117 9.725 204 2HB ALA 103 2HB ALA 103 2.375 4.357 10.473 205 3HB ALA 103 3HB ALA 103 3.987 4.063 11.125 206 H GLU 104 H GLU 104 2.058 4.066 7.524 207 HA GLU 104 HA GLU 104 -0.440 2.868 8.182 208 1HB GLU 104 1HB GLU 104 0.685 4.312 5.843 209 2HB GLU 104 2HB GLU 104 -0.700 3.262 5.510 210 1HG GLU 104 1HG GLU 104 -1.840 5.171 6.131 211 2HG GLU 104 2HG GLU 104 -1.639 4.438 7.721 212 H LEU 105 H LEU 105 2.003 1.945 5.763 213 HA LEU 105 HA LEU 105 0.626 -0.372 4.820 214 1HB LEU 105 1HB LEU 105 3.074 0.953 4.325 215 2HB LEU 105 2HB LEU 105 3.467 -0.728 4.694 216 HG LEU 105 HG LEU 105 1.117 -0.591 3.017 217 1HD1 LEU 105 1HD1 LEU 105 3.111 1.388 2.452 218 2HD1 LEU 105 2HD1 LEU 105 3.165 0.163 1.186 219 3HD1 LEU 105 3HD1 LEU 105 1.655 1.006 1.535 220 1HD2 LEU 105 1HD2 LEU 105 3.901 -1.778 2.869 221 2HD2 LEU 105 2HD2 LEU 105 2.373 -2.611 3.143 222 3HD2 LEU 105 3HD2 LEU 105 2.750 -1.964 1.548 223 H ARG 106 H ARG 106 2.917 0.126 7.457 224 HA ARG 106 HA ARG 106 3.341 -2.616 8.122 225 1HB ARG 106 1HB ARG 106 4.820 -1.085 9.124 226 2HB ARG 106 2HB ARG 106 3.510 -0.022 9.632 227 1HG ARG 106 1HG ARG 106 3.646 -2.813 10.732 228 2HG ARG 106 2HG ARG 106 4.696 -1.564 11.406 229 1HD ARG 106 1HD ARG 106 2.004 -0.547 11.073 230 2HD ARG 106 2HD ARG 106 1.991 -2.019 12.044 231 HE ARG 106 HE ARG 106 3.078 0.543 12.864 232 1HH1 ARG 106 1HH1 ARG 106 5.534 -0.772 13.284 233 2HH1 ARG 106 2HH1 ARG 106 5.340 -1.664 14.755 234 1HH2 ARG 106 1HH2 ARG 106 1.876 -1.518 14.697 235 2HH2 ARG 106 2HH2 ARG 106 3.269 -2.087 15.556 236 H HIS 107 H HIS 107 0.523 -0.749 8.332 237 HA HIS 107 HA HIS 107 -0.576 -2.518 10.472 238 1HB HIS 107 1HB HIS 107 -0.756 -0.156 11.011 239 2HB HIS 107 2HB HIS 107 -1.536 0.170 9.462 240 HD1 HIS 107 HD1 HIS 107 -2.492 -0.081 12.794 241 HD2 HIS 107 HD2 HIS 107 -3.931 -1.922 9.342 242 HE1 HIS 107 HE1 HIS 107 -4.848 -0.846 13.319 243 H VAL 108 H VAL 108 -1.386 -1.164 7.265 244 HA VAL 108 HA VAL 108 -3.770 -2.855 7.056 245 HB VAL 108 HB VAL 108 -2.687 -1.623 4.590 246 1HG1 VAL 108 1HG1 VAL 108 -5.293 -2.002 6.008 247 2HG1 VAL 108 2HG1 VAL 108 -5.166 -0.677 4.851 248 3HG1 VAL 108 3HG1 VAL 108 -4.868 -2.335 4.329 249 1HG2 VAL 108 1HG2 VAL 108 -3.028 -0.098 7.115 250 2HG2 VAL 108 2HG2 VAL 108 -2.079 0.294 5.682 251 3HG2 VAL 108 3HG2 VAL 108 -3.817 0.593 5.695 252 H MET 109 H MET 109 -0.563 -2.755 5.482 253 HA MET 109 HA MET 109 -1.151 -5.173 3.987 254 1HB MET 109 1HB MET 109 0.732 -3.127 3.847 255 2HB MET 109 2HB MET 109 1.679 -4.517 4.360 256 1HG MET 109 1HG MET 109 1.407 -4.087 1.823 257 2HG MET 109 2HG MET 109 1.184 -5.730 2.406 258 1HE MET 109 1HE MET 109 0.128 -6.880 1.322 259 2HE MET 109 2HE MET 109 -1.621 -7.009 1.480 260 3HE MET 109 3HE MET 109 -0.920 -6.411 -0.021 261 H THR 110 H THR 110 -0.735 -4.736 7.190 262 HA THR 110 HA THR 110 0.990 -7.080 7.681 263 HB THR 110 HB THR 110 0.062 -6.351 10.115 264 HG1 THR 110 HG1 THR 110 -0.601 -4.346 10.146 265 1HG2 THR 110 1HG2 THR 110 2.442 -6.360 9.034 266 2HG2 THR 110 2HG2 THR 110 2.152 -4.633 8.820 267 3HG2 THR 110 3HG2 THR 110 2.142 -5.335 10.438 268 H ASN 111 H ASN 111 -2.311 -6.285 7.291 269 HA ASN 111 HA ASN 111 -3.127 -8.920 8.454 270 1HB ASN 111 1HB ASN 111 -5.442 -7.721 8.589 271 2HB ASN 111 2HB ASN 111 -4.229 -7.331 9.808 272 1HD2 ASN 111 1HD2 ASN 111 -4.506 -3.919 8.976 273 2HD2 ASN 111 2HD2 ASN 111 -4.434 -5.105 10.189 274 H LEU 112 H LEU 112 -3.374 -6.622 5.837 275 HA LEU 112 HA LEU 112 -5.382 -7.541 4.198 276 1HB LEU 112 1HB LEU 112 -2.704 -6.370 3.762 277 2HB LEU 112 2HB LEU 112 -3.331 -7.269 2.385 278 HG LEU 112 HG LEU 112 -3.895 -4.719 2.612 279 1HD1 LEU 112 1HD1 LEU 112 -5.121 -6.913 1.380 280 2HD1 LEU 112 2HD1 LEU 112 -6.450 -6.054 2.158 281 3HD1 LEU 112 3HD1 LEU 112 -5.410 -5.213 1.009 282 1HD2 LEU 112 1HD2 LEU 112 -4.799 -5.364 5.049 283 2HD2 LEU 112 2HD2 LEU 112 -5.552 -4.085 4.096 284 3HD2 LEU 112 3HD2 LEU 112 -6.276 -5.692 4.143 285 H GLY 113 H GLY 113 -5.192 -9.065 2.262 286 1HA GLY 113 1HA GLY 113 -4.828 -11.713 2.959 287 2HA GLY 113 2HA GLY 113 -4.580 -11.143 1.307 288 H GLU 114 H GLU 114 -2.341 -9.363 2.225 289 HA GLU 114 HA GLU 114 -0.188 -11.241 1.827 290 1HB GLU 114 1HB GLU 114 -0.418 -8.316 2.361 291 2HB GLU 114 2HB GLU 114 1.139 -9.084 2.662 292 1HG GLU 114 1HG GLU 114 -0.413 -9.252 0.060 293 2HG GLU 114 2HG GLU 114 0.990 -8.221 0.344 294 H LYS 115 H LYS 115 -0.831 -9.090 4.654 295 HA LYS 115 HA LYS 115 -0.127 -9.379 6.885 296 1HB LYS 115 1HB LYS 115 -2.040 -10.988 6.683 297 2HB LYS 115 2HB LYS 115 -0.883 -12.253 6.271 298 1HG LYS 115 1HG LYS 115 0.292 -11.783 8.449 299 2HG LYS 115 2HG LYS 115 -1.032 -10.695 8.865 300 1HD LYS 115 1HD LYS 115 -2.265 -13.070 7.995 301 2HD LYS 115 2HD LYS 115 -0.935 -13.585 9.033 302 1HE LYS 115 1HE LYS 115 -2.640 -11.308 9.956 303 2HE LYS 115 2HE LYS 115 -3.304 -12.938 10.060 304 1HZ LYS 115 1HZ LYS 115 -0.714 -13.119 10.977 305 2HZ LYS 115 2HZ LYS 115 -1.335 -11.704 11.685 306 3HZ LYS 115 3HZ LYS 115 -2.135 -13.184 11.908 307 H LEU 116 H LEU 116 2.137 -8.973 6.324 308 HA LEU 116 HA LEU 116 3.800 -11.447 6.217 309 1HB LEU 116 1HB LEU 116 5.597 -9.853 5.380 310 2HB LEU 116 2HB LEU 116 4.228 -10.066 4.291 311 HG LEU 116 HG LEU 116 4.121 -7.836 6.304 312 1HD1 LEU 116 1HD1 LEU 116 5.873 -7.983 3.863 313 2HD1 LEU 116 2HD1 LEU 116 5.145 -6.447 4.330 314 3HD1 LEU 116 3HD1 LEU 116 6.224 -7.285 5.442 315 1HD2 LEU 116 1HD2 LEU 116 2.327 -8.650 4.515 316 2HD2 LEU 116 2HD2 LEU 116 2.575 -6.931 4.823 317 3HD2 LEU 116 3HD2 LEU 116 3.318 -7.690 3.417 318 H THR 117 H THR 117 5.756 -8.866 6.960 319 HA THR 117 HA THR 117 5.333 -9.228 9.894 320 HB THR 117 HB THR 117 7.888 -8.997 10.054 321 HG1 THR 117 HG1 THR 117 8.984 -9.009 8.268 322 1HG2 THR 117 1HG2 THR 117 6.437 -11.144 10.212 323 2HG2 THR 117 2HG2 THR 117 7.067 -11.501 8.603 324 3HG2 THR 117 3HG2 THR 117 8.174 -11.323 9.965 325 H ASP 118 H ASP 118 6.592 -7.379 11.090 326 HA ASP 118 HA ASP 118 5.667 -4.872 9.931 327 1HB ASP 118 1HB ASP 118 5.489 -4.992 12.295 328 2HB ASP 118 2HB ASP 118 7.130 -5.611 12.474 329 H GLU 119 H GLU 119 8.792 -6.493 10.315 330 HA GLU 119 HA GLU 119 10.273 -4.142 9.387 331 1HB GLU 119 1HB GLU 119 12.199 -5.770 9.293 332 2HB GLU 119 2HB GLU 119 11.422 -5.682 10.874 333 1HG GLU 119 1HG GLU 119 10.298 -7.743 10.565 334 2HG GLU 119 2HG GLU 119 10.577 -7.732 8.824 335 H GLU 120 H GLU 120 8.763 -6.945 8.006 336 HA GLU 120 HA GLU 120 10.128 -6.768 5.441 337 1HB GLU 120 1HB GLU 120 9.176 -8.897 6.140 338 2HB GLU 120 2HB GLU 120 7.581 -8.170 6.310 339 1HG GLU 120 1HG GLU 120 7.350 -9.068 4.199 340 2HG GLU 120 2HG GLU 120 8.030 -7.499 3.762 341 H VAL 121 H VAL 121 7.108 -5.592 6.837 342 HA VAL 121 HA VAL 121 6.172 -4.444 4.329 343 HB VAL 121 HB VAL 121 4.470 -5.059 5.914 344 1HG1 VAL 121 1HG1 VAL 121 6.294 -4.372 7.865 345 2HG1 VAL 121 2HG1 VAL 121 5.101 -3.084 7.985 346 3HG1 VAL 121 3HG1 VAL 121 4.603 -4.769 8.147 347 1HG2 VAL 121 1HG2 VAL 121 4.483 -2.703 4.665 348 2HG2 VAL 121 2HG2 VAL 121 3.181 -3.151 5.768 349 3HG2 VAL 121 3HG2 VAL 121 4.486 -2.103 6.324 350 H ASP 122 H ASP 122 7.459 -3.039 7.354 351 HA ASP 122 HA ASP 122 7.476 -0.346 6.366 352 1HB ASP 122 1HB ASP 122 7.583 -1.010 8.787 353 2HB ASP 122 2HB ASP 122 9.249 -1.525 8.520 354 H GLU 123 H GLU 123 10.063 -2.806 6.570 355 HA GLU 123 HA GLU 123 12.054 -1.060 5.406 356 1HB GLU 123 1HB GLU 123 12.488 -3.153 6.810 357 2HB GLU 123 2HB GLU 123 12.107 -4.083 5.359 358 1HG GLU 123 1HG GLU 123 13.898 -2.043 4.551 359 2HG GLU 123 2HG GLU 123 14.563 -2.732 6.034 360 H MET 124 H MET 124 9.494 -2.962 4.107 361 HA MET 124 HA MET 124 10.710 -3.134 1.431 362 1HB MET 124 1HB MET 124 9.294 -4.975 2.203 363 2HB MET 124 2HB MET 124 7.947 -3.863 2.444 364 1HG MET 124 1HG MET 124 7.681 -5.015 0.307 365 2HG MET 124 2HG MET 124 8.009 -3.307 0.023 366 1HE MET 124 1HE MET 124 9.397 -6.767 0.476 367 2HE MET 124 2HE MET 124 10.981 -6.785 -0.311 368 3HE MET 124 3HE MET 124 10.769 -5.956 1.228 369 H ILE 125 H ILE 125 8.904 -0.873 3.234 370 HA ILE 125 HA ILE 125 7.364 0.292 1.088 371 HB ILE 125 HB ILE 125 7.736 0.730 3.892 372 1HG1 ILE 125 1HG1 ILE 125 5.735 2.418 3.142 373 2HG1 ILE 125 2HG1 ILE 125 5.826 1.359 1.731 374 1HG2 ILE 125 1HG2 ILE 125 8.150 3.213 2.203 375 2HG2 ILE 125 2HG2 ILE 125 7.628 3.256 3.887 376 3HG2 ILE 125 3HG2 ILE 125 9.209 2.595 3.471 377 1HD1 ILE 125 1HD1 ILE 125 6.033 -0.430 3.810 378 2HD1 ILE 125 2HD1 ILE 125 4.910 0.759 4.462 379 3HD1 ILE 125 3HD1 ILE 125 4.546 -0.060 2.946 380 H ARG 126 H ARG 126 10.705 0.445 1.968 381 HA ARG 126 HA ARG 126 11.406 2.984 0.898 382 1HB ARG 126 1HB ARG 126 13.129 0.519 0.630 383 2HB ARG 126 2HB ARG 126 13.640 2.190 0.874 384 1HG ARG 126 1HG ARG 126 12.075 1.843 3.068 385 2HG ARG 126 2HG ARG 126 12.680 0.200 2.852 386 1HD ARG 126 1HD ARG 126 14.295 2.732 3.212 387 2HD ARG 126 2HD ARG 126 14.275 1.305 4.250 388 HE ARG 126 HE ARG 126 15.184 0.169 2.020 389 1HH1 ARG 126 1HH1 ARG 126 16.362 1.579 0.253 390 2HH1 ARG 126 2HH1 ARG 126 17.730 2.415 0.910 391 1HH2 ARG 126 1HH2 ARG 126 16.743 1.984 4.206 392 2HH2 ARG 126 2HH2 ARG 126 17.946 2.643 3.148 393 H GLU 127 H GLU 127 10.177 0.202 -0.632 394 HA GLU 127 HA GLU 127 11.363 0.771 -3.262 395 1HB GLU 127 1HB GLU 127 9.460 -1.288 -2.158 396 2HB GLU 127 2HB GLU 127 9.678 -1.103 -3.902 397 1HG GLU 127 1HG GLU 127 12.125 -1.294 -2.191 398 2HG GLU 127 2HG GLU 127 11.211 -2.769 -2.504 399 H ALA 128 H ALA 128 8.167 1.007 -1.680 400 HA ALA 128 HA ALA 128 6.988 2.143 -4.126 401 1HB ALA 128 1HB ALA 128 5.992 1.250 -1.461 402 2HB ALA 128 2HB ALA 128 5.048 2.480 -2.303 403 3HB ALA 128 3HB ALA 128 5.347 0.920 -3.071 404 H ASP 129 H ASP 129 8.719 3.349 -1.466 405 HA ASP 129 HA ASP 129 7.373 5.980 -1.497 406 1HB ASP 129 1HB ASP 129 8.639 4.592 0.494 407 2HB ASP 129 2HB ASP 129 9.914 5.699 -0.021 408 H ILE 130 H ILE 130 9.651 7.613 -1.100 409 HA ILE 130 HA ILE 130 10.982 8.971 -2.509 410 HB ILE 130 HB ILE 130 12.986 7.857 -3.195 411 1HG1 ILE 130 1HG1 ILE 130 11.568 5.193 -2.942 412 2HG1 ILE 130 2HG1 ILE 130 11.672 6.055 -4.479 413 1HG2 ILE 130 1HG2 ILE 130 12.343 7.842 -0.705 414 2HG2 ILE 130 2HG2 ILE 130 11.955 6.137 -0.934 415 3HG2 ILE 130 3HG2 ILE 130 13.601 6.710 -1.204 416 1HD1 ILE 130 1HD1 ILE 130 14.037 5.219 -2.770 417 2HD1 ILE 130 2HD1 ILE 130 13.508 4.414 -4.248 418 3HD1 ILE 130 3HD1 ILE 130 14.130 6.062 -4.317 419 H ASP 131 H ASP 131 12.223 8.288 -4.966 420 HA ASP 131 HA ASP 131 11.738 8.500 -7.255 421 1HB ASP 131 1HB ASP 131 10.434 6.088 -6.213 422 2HB ASP 131 2HB ASP 131 9.697 6.694 -7.698 423 H GLY 132 H GLY 132 8.456 7.516 -6.473 424 1HA GLY 132 1HA GLY 132 7.239 9.589 -7.985 425 2HA GLY 132 2HA GLY 132 6.411 8.634 -6.754 426 H ASP 133 H ASP 133 5.356 10.144 -5.527 427 HA ASP 133 HA ASP 133 7.037 12.309 -4.332 428 1HB ASP 133 1HB ASP 133 4.571 12.517 -5.901 429 2HB ASP 133 2HB ASP 133 4.457 13.325 -4.336 430 H GLY 134 H GLY 134 3.616 11.767 -3.724 431 1HA GLY 134 1HA GLY 134 3.665 11.860 -0.971 432 2HA GLY 134 2HA GLY 134 2.520 10.845 -1.846 433 H GLN 135 H GLN 135 3.759 10.230 0.713 434 HA GLN 135 HA GLN 135 5.949 8.563 0.772 435 1HB GLN 135 1HB GLN 135 3.261 8.042 2.077 436 2HB GLN 135 2HB GLN 135 4.769 7.245 2.527 437 1HG GLN 135 1HG GLN 135 5.390 9.975 2.510 438 2HG GLN 135 2HG GLN 135 3.798 9.885 3.263 439 1HE2 GLN 135 1HE2 GLN 135 5.543 9.152 6.262 440 2HE2 GLN 135 2HE2 GLN 135 4.592 10.285 5.431 441 H VAL 136 H VAL 136 3.002 6.647 0.884 442 HA VAL 136 HA VAL 136 3.835 5.300 -1.645 443 HB VAL 136 HB VAL 136 4.773 3.863 -0.017 444 1HG1 VAL 136 1HG1 VAL 136 3.412 5.089 1.842 445 2HG1 VAL 136 2HG1 VAL 136 2.223 3.813 1.583 446 3HG1 VAL 136 3HG1 VAL 136 3.859 3.404 2.098 447 1HG2 VAL 136 1HG2 VAL 136 2.591 3.025 -1.547 448 2HG2 VAL 136 2HG2 VAL 136 3.787 1.981 -0.778 449 3HG2 VAL 136 3HG2 VAL 136 2.280 2.359 0.056 450 H ASN 137 H ASN 137 2.026 6.178 -2.736 451 HA ASN 137 HA ASN 137 -0.649 6.104 -1.688 452 1HB ASN 137 1HB ASN 137 -1.238 6.302 -4.201 453 2HB ASN 137 2HB ASN 137 -0.362 7.623 -3.438 454 1HD2 ASN 137 1HD2 ASN 137 2.312 5.222 -5.348 455 2HD2 ASN 137 2HD2 ASN 137 1.406 4.644 -4.038 456 H TYR 138 H TYR 138 -2.188 4.866 -3.643 457 HA TYR 138 HA TYR 138 -1.896 2.084 -2.817 458 1HB TYR 138 1HB TYR 138 -3.830 3.364 -4.762 459 2HB TYR 138 2HB TYR 138 -3.945 1.736 -4.117 460 HD1 TYR 138 HD1 TYR 138 -2.552 3.671 -1.551 461 HD2 TYR 138 HD2 TYR 138 -6.254 2.990 -3.592 462 HE1 TYR 138 HE1 TYR 138 -3.772 4.539 0.393 463 HE2 TYR 138 HE2 TYR 138 -7.489 3.862 -1.627 464 HH TYR 138 HH TYR 138 -7.326 4.808 0.374 465 H GLU 139 H GLU 139 -1.639 3.921 -5.799 466 HA GLU 139 HA GLU 139 -1.284 1.849 -7.617 467 1HB GLU 139 1HB GLU 139 0.444 4.315 -7.770 468 2HB GLU 139 2HB GLU 139 -0.326 3.427 -9.085 469 1HG GLU 139 1HG GLU 139 -2.533 4.119 -7.727 470 2HG GLU 139 2HG GLU 139 -1.487 5.449 -7.227 471 H GLU 140 H GLU 140 1.120 3.283 -5.429 472 HA GLU 140 HA GLU 140 3.164 1.356 -6.392 473 1HB GLU 140 1HB GLU 140 3.274 3.720 -4.506 474 2HB GLU 140 2HB GLU 140 4.637 2.628 -4.746 475 1HG GLU 140 1HG GLU 140 3.333 3.727 -7.191 476 2HG GLU 140 2HG GLU 140 4.311 4.838 -6.233 477 H PHE 141 H PHE 141 1.050 1.979 -3.701 478 HA PHE 141 HA PHE 141 2.341 0.277 -1.762 479 1HB PHE 141 1HB PHE 141 0.764 1.859 -0.941 480 2HB PHE 141 2HB PHE 141 -0.458 1.349 -2.094 481 HD1 PHE 141 HD1 PHE 141 1.729 -0.782 0.047 482 HD2 PHE 141 HD2 PHE 141 -2.243 0.639 -0.734 483 HE1 PHE 141 HE1 PHE 141 0.830 -2.358 1.716 484 HE2 PHE 141 HE2 PHE 141 -3.143 -0.939 0.955 485 HZ PHE 141 HZ PHE 141 -1.605 -2.434 2.183 486 H VAL 142 H VAL 142 0.476 -0.351 -4.580 487 HA VAL 142 HA VAL 142 -0.583 -2.931 -3.768 488 HB VAL 142 HB VAL 142 -1.696 -1.853 -5.586 489 1HG1 VAL 142 1HG1 VAL 142 1.085 -1.297 -6.442 490 2HG1 VAL 142 2HG1 VAL 142 -0.056 -1.631 -7.746 491 3HG1 VAL 142 3HG1 VAL 142 -0.367 -0.311 -6.617 492 1HG2 VAL 142 1HG2 VAL 142 -1.259 -4.345 -5.806 493 2HG2 VAL 142 2HG2 VAL 142 -1.585 -3.514 -7.326 494 3HG2 VAL 142 3HG2 VAL 142 0.070 -3.940 -6.892 495 H GLN 143 H GLN 143 2.510 -1.776 -4.624 496 HA GLN 143 HA GLN 143 3.559 -4.148 -5.895 497 1HB GLN 143 1HB GLN 143 4.492 -1.596 -5.485 498 2HB GLN 143 2HB GLN 143 5.455 -2.522 -4.333 499 1HG GLN 143 1HG GLN 143 6.781 -3.002 -6.109 500 2HG GLN 143 2HG GLN 143 5.510 -4.136 -6.566 501 1HE2 GLN 143 1HE2 GLN 143 4.040 -1.506 -8.792 502 2HE2 GLN 143 2HE2 GLN 143 3.489 -2.358 -7.431 503 H MET 144 H MET 144 3.187 -3.088 -2.559 504 HA MET 144 HA MET 144 4.810 -5.277 -1.488 505 1HB MET 144 1HB MET 144 2.785 -3.929 0.238 506 2HB MET 144 2HB MET 144 4.458 -4.347 0.595 507 1HG MET 144 1HG MET 144 4.445 -2.390 -1.498 508 2HG MET 144 2HG MET 144 3.415 -1.816 -0.186 509 1HE MET 144 1HE MET 144 5.965 -1.290 -1.749 510 2HE MET 144 2HE MET 144 6.901 -0.321 -0.612 511 3HE MET 144 3HE MET 144 7.476 -1.922 -1.101 512 H MET 145 H MET 145 1.634 -4.833 -2.633 513 HA MET 145 HA MET 145 0.519 -7.115 -1.123 514 1HB MET 145 1HB MET 145 -0.970 -5.743 -3.329 515 2HB MET 145 2HB MET 145 -1.562 -6.332 -1.775 516 1HG MET 145 1HG MET 145 -0.185 -4.491 -0.685 517 2HG MET 145 2HG MET 145 0.082 -3.842 -2.295 518 1HE MET 145 1HE MET 145 -2.520 -5.511 -0.248 519 2HE MET 145 2HE MET 145 -3.957 -4.498 -0.282 520 3HE MET 145 3HE MET 145 -3.560 -5.524 -1.668 521 H THR 146 H THR 146 2.412 -6.736 -3.815 522 HA THR 146 HA THR 146 1.635 -9.393 -4.815 523 HB THR 146 HB THR 146 1.040 -8.771 -6.970 524 HG1 THR 146 HG1 THR 146 1.826 -6.968 -7.961 525 1HG2 THR 146 1HG2 THR 146 0.282 -6.417 -5.223 526 2HG2 THR 146 2HG2 THR 146 -0.380 -6.691 -6.835 527 3HG2 THR 146 3HG2 THR 146 -0.683 -7.857 -5.547 528 H ALA 147 H ALA 147 3.941 -7.832 -3.550 529 HA ALA 147 HA ALA 147 6.030 -8.105 -5.622 530 1HB ALA 147 1HB ALA 147 5.790 -6.843 -2.957 531 2HB ALA 147 2HB ALA 147 7.374 -7.530 -3.322 532 3HB ALA 147 3HB ALA 147 6.678 -6.302 -4.382 533 H LYS 148 H LYS 148 4.593 -10.497 -4.654 534 HA LYS 148 HA LYS 148 5.099 -12.689 -3.985 535 1HB LYS 148 1HB LYS 148 7.429 -11.620 -5.298 536 2HB LYS 148 2HB LYS 148 7.935 -12.681 -3.982 537 1HG LYS 148 1HG LYS 148 7.016 -14.550 -4.951 538 2HG LYS 148 2HG LYS 148 5.699 -13.645 -5.697 539 1HD LYS 148 1HD LYS 148 8.518 -13.206 -6.638 540 2HD LYS 148 2HD LYS 148 7.616 -14.609 -7.211 541 1HE LYS 148 1HE LYS 148 6.173 -12.015 -7.277 542 2HE LYS 148 2HE LYS 148 7.500 -12.194 -8.425 543 1HZ LYS 148 1HZ LYS 148 5.794 -14.506 -8.234 544 2HZ LYS 148 2HZ LYS 148 4.993 -13.119 -8.796 545 3HZ LYS 148 3HZ LYS 148 6.372 -13.691 -9.609 No H/Q in entry = 545 Start of MODEL 19 Raw file had 555 H/Q atoms Start of MODEL 19 1 1H MET 76 1H MET 76 -4.161 -4.194 -20.029 2 2H MET 76 2H MET 76 -5.426 -3.188 -20.546 3 3H MET 76 3H MET 76 -4.383 -3.893 -21.687 4 HA MET 76 HA MET 76 -2.647 -2.488 -21.210 5 1HB MET 76 1HB MET 76 -5.159 -0.887 -20.630 6 2HB MET 76 2HB MET 76 -3.607 -0.211 -21.125 7 1HG MET 76 1HG MET 76 -4.377 -0.430 -23.244 8 2HG MET 76 2HG MET 76 -4.056 -2.151 -23.041 9 1HE MET 76 1HE MET 76 -6.223 0.618 -22.060 10 2HE MET 76 2HE MET 76 -7.135 0.493 -23.562 11 3HE MET 76 3HE MET 76 -7.896 0.045 -22.037 12 H LYS 77 H LYS 77 -2.059 -0.481 -19.639 13 HA LYS 77 HA LYS 77 -1.839 -1.687 -16.975 14 1HB LYS 77 1HB LYS 77 -0.024 -0.332 -18.244 15 2HB LYS 77 2HB LYS 77 -0.922 1.090 -17.713 16 1HG LYS 77 1HG LYS 77 -0.534 0.641 -15.437 17 2HG LYS 77 2HG LYS 77 -0.136 -1.050 -15.744 18 1HD LYS 77 1HD LYS 77 2.040 -0.549 -16.035 19 2HD LYS 77 2HD LYS 77 1.644 0.695 -17.221 20 1HE LYS 77 1HE LYS 77 0.968 1.493 -14.488 21 2HE LYS 77 2HE LYS 77 2.687 1.153 -14.691 22 1HZ LYS 77 1HZ LYS 77 1.232 2.807 -16.652 23 2HZ LYS 77 2HZ LYS 77 1.839 3.493 -15.220 24 3HZ LYS 77 3HZ LYS 77 2.898 2.759 -16.323 25 H ASP 78 H ASP 78 -3.179 -1.232 -15.294 26 HA ASP 78 HA ASP 78 -4.307 1.331 -14.753 27 1HB ASP 78 1HB ASP 78 -6.639 0.976 -15.355 28 2HB ASP 78 2HB ASP 78 -5.645 0.772 -16.798 29 H THR 79 H THR 79 -6.527 0.761 -13.305 30 HA THR 79 HA THR 79 -5.627 -0.349 -10.917 31 HB THR 79 HB THR 79 -8.476 -0.691 -11.871 32 HG1 THR 79 HG1 THR 79 -6.997 1.598 -11.253 33 1HG2 THR 79 1HG2 THR 79 -7.055 -0.941 -9.358 34 2HG2 THR 79 2HG2 THR 79 -8.322 0.281 -9.242 35 3HG2 THR 79 3HG2 THR 79 -8.724 -1.362 -9.738 36 H ASP 80 H ASP 80 -5.389 -2.418 -10.114 37 HA ASP 80 HA ASP 80 -6.665 -4.721 -11.340 38 1HB ASP 80 1HB ASP 80 -4.340 -3.863 -12.605 39 2HB ASP 80 2HB ASP 80 -3.779 -5.147 -11.533 40 H SER 81 H SER 81 -7.199 -5.629 -9.398 41 HA SER 81 HA SER 81 -6.806 -6.890 -7.441 42 1HB SER 81 1HB SER 81 -4.521 -7.319 -8.709 43 2HB SER 81 2HB SER 81 -3.886 -6.217 -7.491 44 HG SER 81 HG SER 81 -5.053 -8.753 -7.208 45 H GLU 82 H GLU 82 -6.250 -3.648 -7.941 46 HA GLU 82 HA GLU 82 -5.448 -3.045 -5.162 47 1HB GLU 82 1HB GLU 82 -6.250 -1.105 -7.346 48 2HB GLU 82 2HB GLU 82 -5.354 -0.741 -5.870 49 1HG GLU 82 1HG GLU 82 -3.394 -1.666 -6.664 50 2HG GLU 82 2HG GLU 82 -4.235 -2.826 -7.694 51 H GLU 83 H GLU 83 -8.301 -3.746 -6.787 52 HA GLU 83 HA GLU 83 -10.160 -1.883 -5.736 53 1HB GLU 83 1HB GLU 83 -10.433 -4.829 -6.388 54 2HB GLU 83 2HB GLU 83 -11.800 -3.826 -5.903 55 1HG GLU 83 1HG GLU 83 -11.794 -2.620 -7.865 56 2HG GLU 83 2HG GLU 83 -10.051 -2.788 -8.085 57 H GLU 84 H GLU 84 -8.714 -4.776 -4.289 58 HA GLU 84 HA GLU 84 -10.249 -4.322 -1.793 59 1HB GLU 84 1HB GLU 84 -9.222 -6.443 -1.051 60 2HB GLU 84 2HB GLU 84 -10.015 -6.639 -2.614 61 1HG GLU 84 1HG GLU 84 -7.853 -6.369 -3.759 62 2HG GLU 84 2HG GLU 84 -7.050 -6.148 -2.204 63 H ILE 85 H ILE 85 -7.086 -3.835 -3.160 64 HA ILE 85 HA ILE 85 -5.666 -3.536 -0.648 65 HB ILE 85 HB ILE 85 -5.030 -2.443 -3.409 66 1HG1 ILE 85 1HG1 ILE 85 -3.826 -4.839 -1.999 67 2HG1 ILE 85 2HG1 ILE 85 -5.216 -4.986 -3.076 68 1HG2 ILE 85 1HG2 ILE 85 -3.477 -2.583 -0.823 69 2HG2 ILE 85 2HG2 ILE 85 -2.672 -2.447 -2.386 70 3HG2 ILE 85 3HG2 ILE 85 -3.771 -1.178 -1.845 71 1HD1 ILE 85 1HD1 ILE 85 -2.657 -3.621 -3.929 72 2HD1 ILE 85 2HD1 ILE 85 -2.918 -5.352 -4.145 73 3HD1 ILE 85 3HD1 ILE 85 -3.976 -4.193 -4.951 74 H ARG 86 H ARG 86 -7.807 -1.503 -2.463 75 HA ARG 86 HA ARG 86 -6.791 0.920 -1.132 76 1HB ARG 86 1HB ARG 86 -7.464 1.781 -3.106 77 2HB ARG 86 2HB ARG 86 -8.340 0.313 -3.515 78 1HG ARG 86 1HG ARG 86 -10.036 1.910 -3.485 79 2HG ARG 86 2HG ARG 86 -10.153 1.246 -1.862 80 1HD ARG 86 1HD ARG 86 -8.752 3.112 -1.013 81 2HD ARG 86 2HD ARG 86 -8.657 3.768 -2.645 82 HE ARG 86 HE ARG 86 -11.206 3.564 -1.091 83 1HH1 ARG 86 1HH1 ARG 86 -10.307 4.166 -4.193 84 2HH1 ARG 86 2HH1 ARG 86 -10.878 5.799 -4.266 85 1HH2 ARG 86 1HH2 ARG 86 -11.447 6.032 -0.854 86 2HH2 ARG 86 2HH2 ARG 86 -11.523 6.856 -2.375 87 H GLU 87 H GLU 87 -8.824 -1.573 -0.267 88 HA GLU 87 HA GLU 87 -10.760 0.159 1.151 89 1HB GLU 87 1HB GLU 87 -11.727 -1.831 0.221 90 2HB GLU 87 2HB GLU 87 -10.462 -2.848 0.913 91 1HG GLU 87 1HG GLU 87 -11.282 -2.571 3.116 92 2HG GLU 87 2HG GLU 87 -12.265 -1.178 2.664 93 H ALA 88 H ALA 88 -8.168 -2.173 1.955 94 HA ALA 88 HA ALA 88 -8.392 -1.422 4.809 95 1HB ALA 88 1HB ALA 88 -6.978 -3.524 3.243 96 2HB ALA 88 2HB ALA 88 -6.178 -2.971 4.714 97 3HB ALA 88 3HB ALA 88 -7.805 -3.647 4.796 98 H PHE 89 H PHE 89 -7.337 0.199 2.322 99 HA PHE 89 HA PHE 89 -4.849 1.212 3.629 100 1HB PHE 89 1HB PHE 89 -4.913 0.041 1.227 101 2HB PHE 89 2HB PHE 89 -5.432 1.640 0.719 102 HD1 PHE 89 HD1 PHE 89 -3.051 0.836 3.479 103 HD2 PHE 89 HD2 PHE 89 -3.536 2.363 -0.492 104 HE1 PHE 89 HE1 PHE 89 -0.687 1.527 3.469 105 HE2 PHE 89 HE2 PHE 89 -1.162 3.065 -0.509 106 HZ PHE 89 HZ PHE 89 0.262 2.632 1.468 107 H ARG 90 H ARG 90 -7.994 1.834 2.235 108 HA ARG 90 HA ARG 90 -7.747 4.661 1.955 109 1HB ARG 90 1HB ARG 90 -10.188 4.671 1.827 110 2HB ARG 90 2HB ARG 90 -9.588 3.293 0.910 111 1HG ARG 90 1HG ARG 90 -10.154 1.768 2.629 112 2HG ARG 90 2HG ARG 90 -10.410 3.056 3.802 113 1HD ARG 90 1HD ARG 90 -12.586 2.342 3.089 114 2HD ARG 90 2HD ARG 90 -12.282 3.895 2.310 115 HE ARG 90 HE ARG 90 -11.391 2.081 0.438 116 1HH1 ARG 90 1HH1 ARG 90 -13.828 0.989 2.370 117 2HH1 ARG 90 2HH1 ARG 90 -15.052 0.932 1.147 118 1HH2 ARG 90 1HH2 ARG 90 -13.162 2.652 -1.198 119 2HH2 ARG 90 2HH2 ARG 90 -14.676 1.874 -0.873 120 H VAL 91 H VAL 91 -8.516 2.438 4.464 121 HA VAL 91 HA VAL 91 -9.619 3.901 6.491 122 HB VAL 91 HB VAL 91 -7.348 1.908 6.542 123 1HG1 VAL 91 1HG1 VAL 91 -8.819 3.244 8.830 124 2HG1 VAL 91 2HG1 VAL 91 -8.015 1.685 9.012 125 3HG1 VAL 91 3HG1 VAL 91 -7.077 3.116 8.587 126 1HG2 VAL 91 1HG2 VAL 91 -9.871 1.463 5.858 127 2HG2 VAL 91 2HG2 VAL 91 -9.009 0.314 6.883 128 3HG2 VAL 91 3HG2 VAL 91 -10.123 1.475 7.604 129 H PHE 92 H PHE 92 -6.440 4.279 5.123 130 HA PHE 92 HA PHE 92 -5.673 6.202 7.245 131 1HB PHE 92 1HB PHE 92 -4.063 4.959 5.020 132 2HB PHE 92 2HB PHE 92 -3.421 5.941 6.345 133 HD1 PHE 92 HD1 PHE 92 -3.448 5.104 8.663 134 HD2 PHE 92 HD2 PHE 92 -4.859 2.705 5.397 135 HE1 PHE 92 HE1 PHE 92 -3.432 3.106 10.132 136 HE2 PHE 92 HE2 PHE 92 -4.848 0.702 6.869 137 HZ PHE 92 HZ PHE 92 -4.130 0.904 9.232 138 H ASP 93 H ASP 93 -5.719 6.016 3.649 139 HA ASP 93 HA ASP 93 -6.089 8.978 3.671 140 1HB ASP 93 1HB ASP 93 -4.005 7.406 2.428 141 2HB ASP 93 2HB ASP 93 -4.944 8.248 1.195 142 H LYS 94 H LYS 94 -8.343 7.498 3.726 143 HA LYS 94 HA LYS 94 -9.447 6.329 1.479 144 1HB LYS 94 1HB LYS 94 -10.858 8.459 3.120 145 2HB LYS 94 2HB LYS 94 -11.623 7.176 2.184 146 1HG LYS 94 1HG LYS 94 -10.388 5.514 3.635 147 2HG LYS 94 2HG LYS 94 -9.893 6.870 4.650 148 1HD LYS 94 1HD LYS 94 -12.505 7.403 4.586 149 2HD LYS 94 2HD LYS 94 -12.606 5.668 4.281 150 1HE LYS 94 1HE LYS 94 -11.540 5.130 6.326 151 2HE LYS 94 2HE LYS 94 -10.937 6.774 6.540 152 1HZ LYS 94 1HZ LYS 94 -13.331 7.466 6.663 153 2HZ LYS 94 2HZ LYS 94 -13.731 5.818 6.771 154 3HZ LYS 94 3HZ LYS 94 -12.773 6.544 7.972 155 H ASP 95 H ASP 95 -10.242 9.754 2.004 156 HA ASP 95 HA ASP 95 -9.707 10.203 -0.902 157 1HB ASP 95 1HB ASP 95 -12.126 10.477 0.401 158 2HB ASP 95 2HB ASP 95 -11.487 12.121 0.449 159 H GLY 96 H GLY 96 -8.230 10.589 1.867 160 1HA GLY 96 1HA GLY 96 -7.789 13.417 2.118 161 2HA GLY 96 2HA GLY 96 -6.749 12.157 2.783 162 H ASN 97 H ASN 97 -5.295 11.035 1.127 163 HA ASN 97 HA ASN 97 -4.665 12.815 -1.178 164 1HB ASN 97 1HB ASN 97 -2.867 12.183 1.139 165 2HB ASN 97 2HB ASN 97 -2.168 12.451 -0.459 166 1HD2 ASN 97 1HD2 ASN 97 -3.634 15.600 1.652 167 2HD2 ASN 97 2HD2 ASN 97 -3.727 14.019 2.262 168 H GLY 98 H GLY 98 -5.087 9.678 -0.028 169 1HA GLY 98 1HA GLY 98 -4.968 7.702 -1.351 170 2HA GLY 98 2HA GLY 98 -4.007 8.589 -2.539 171 H TYR 99 H TYR 99 -1.961 9.593 -0.973 172 HA TYR 99 HA TYR 99 -0.482 7.113 -0.334 173 1HB TYR 99 1HB TYR 99 1.497 8.403 -0.540 174 2HB TYR 99 2HB TYR 99 0.437 9.026 -1.803 175 HD1 TYR 99 HD1 TYR 99 1.662 9.643 1.658 176 HD2 TYR 99 HD2 TYR 99 -0.323 11.285 -1.779 177 HE1 TYR 99 HE1 TYR 99 1.800 11.907 2.660 178 HE2 TYR 99 HE2 TYR 99 -0.186 13.548 -0.777 179 HH TYR 99 HH TYR 99 1.362 14.062 2.398 180 H ILE 100 H ILE 100 -0.052 6.503 1.691 181 HA ILE 100 HA ILE 100 -0.608 8.472 3.861 182 HB ILE 100 HB ILE 100 -0.887 6.082 5.118 183 1HG1 ILE 100 1HG1 ILE 100 -2.355 4.705 3.550 184 2HG1 ILE 100 2HG1 ILE 100 -1.650 5.650 2.233 185 1HG2 ILE 100 1HG2 ILE 100 -2.698 8.029 3.840 186 2HG2 ILE 100 2HG2 ILE 100 -3.430 6.468 4.207 187 3HG2 ILE 100 3HG2 ILE 100 -2.692 7.422 5.494 188 1HD1 ILE 100 1HD1 ILE 100 0.502 4.914 3.865 189 2HD1 ILE 100 2HD1 ILE 100 -0.499 3.473 3.733 190 3HD1 ILE 100 3HD1 ILE 100 0.106 4.270 2.274 191 H SER 101 H SER 101 0.626 7.301 5.999 192 HA SER 101 HA SER 101 3.435 7.600 5.268 193 1HB SER 101 1HB SER 101 2.350 8.418 7.422 194 2HB SER 101 2HB SER 101 2.326 6.735 7.944 195 HG SER 101 HG SER 101 4.482 8.471 7.515 196 H ALA 102 H ALA 102 4.914 5.908 6.651 197 HA ALA 102 HA ALA 102 4.569 3.354 5.282 198 1HB ALA 102 1HB ALA 102 6.743 4.692 6.317 199 2HB ALA 102 2HB ALA 102 6.459 3.461 7.551 200 3HB ALA 102 3HB ALA 102 6.743 2.984 5.876 201 H ALA 103 H ALA 103 4.369 4.515 8.638 202 HA ALA 103 HA ALA 103 3.703 2.096 9.903 203 1HB ALA 103 1HB ALA 103 3.874 4.675 10.744 204 2HB ALA 103 2HB ALA 103 2.123 4.472 10.723 205 3HB ALA 103 3HB ALA 103 3.122 3.399 11.701 206 H GLU 104 H GLU 104 1.909 4.094 7.702 207 HA GLU 104 HA GLU 104 -0.704 2.999 8.278 208 1HB GLU 104 1HB GLU 104 0.522 4.566 6.011 209 2HB GLU 104 2HB GLU 104 -1.092 3.881 5.835 210 1HG GLU 104 1HG GLU 104 -0.670 6.338 6.876 211 2HG GLU 104 2HG GLU 104 -2.011 5.327 7.378 212 H LEU 105 H LEU 105 1.827 2.252 5.873 213 HA LEU 105 HA LEU 105 0.396 0.141 4.587 214 1HB LEU 105 1HB LEU 105 2.737 1.459 4.114 215 2HB LEU 105 2HB LEU 105 3.330 -0.093 4.715 216 HG LEU 105 HG LEU 105 1.125 -0.546 2.956 217 1HD1 LEU 105 1HD1 LEU 105 2.989 1.580 2.160 218 2HD1 LEU 105 2HD1 LEU 105 2.845 0.281 0.975 219 3HD1 LEU 105 3HD1 LEU 105 1.408 1.163 1.497 220 1HD2 LEU 105 1HD2 LEU 105 3.809 -1.473 3.504 221 2HD2 LEU 105 2HD2 LEU 105 2.471 -2.347 2.767 222 3HD2 LEU 105 3HD2 LEU 105 3.546 -1.371 1.764 223 H ARG 106 H ARG 106 3.075 -0.036 6.990 224 HA ARG 106 HA ARG 106 3.156 -2.781 7.363 225 1HB ARG 106 1HB ARG 106 3.728 -2.310 9.763 226 2HB ARG 106 2HB ARG 106 4.643 -1.334 8.617 227 1HG ARG 106 1HG ARG 106 3.979 0.318 10.064 228 2HG ARG 106 2HG ARG 106 2.596 0.333 8.969 229 1HD ARG 106 1HD ARG 106 1.239 -0.199 10.684 230 2HD ARG 106 2HD ARG 106 2.143 -1.695 10.930 231 HE ARG 106 HE ARG 106 3.577 0.495 12.102 232 1HH1 ARG 106 1HH1 ARG 106 0.375 -0.535 12.474 233 2HH1 ARG 106 2HH1 ARG 106 0.483 -0.786 14.185 234 1HH2 ARG 106 1HH2 ARG 106 3.903 -0.227 14.319 235 2HH2 ARG 106 2HH2 ARG 106 2.480 -0.611 15.229 236 H HIS 107 H HIS 107 0.859 -0.527 8.870 237 HA HIS 107 HA HIS 107 -0.587 -2.570 10.302 238 1HB HIS 107 1HB HIS 107 -0.756 -0.251 11.003 239 2HB HIS 107 2HB HIS 107 -1.406 0.214 9.429 240 HD1 HIS 107 HD1 HIS 107 -2.582 -0.350 12.680 241 HD2 HIS 107 HD2 HIS 107 -3.895 -1.676 8.947 242 HE1 HIS 107 HE1 HIS 107 -5.000 -1.044 12.973 243 H VAL 108 H VAL 108 -0.924 -1.163 7.069 244 HA VAL 108 HA VAL 108 -3.478 -2.492 6.588 245 HB VAL 108 HB VAL 108 -1.599 -1.249 4.556 246 1HG1 VAL 108 1HG1 VAL 108 -4.375 -2.335 4.528 247 2HG1 VAL 108 2HG1 VAL 108 -4.048 -0.895 3.564 248 3HG1 VAL 108 3HG1 VAL 108 -3.139 -2.377 3.273 249 1HG2 VAL 108 1HG2 VAL 108 -2.952 -0.029 6.713 250 2HG2 VAL 108 2HG2 VAL 108 -2.209 0.776 5.331 251 3HG2 VAL 108 3HG2 VAL 108 -3.911 0.324 5.276 252 H MET 109 H MET 109 -0.463 -2.818 4.697 253 HA MET 109 HA MET 109 -1.039 -5.205 3.444 254 1HB MET 109 1HB MET 109 1.371 -3.738 4.082 255 2HB MET 109 2HB MET 109 1.663 -5.479 4.075 256 1HG MET 109 1HG MET 109 0.085 -5.243 1.878 257 2HG MET 109 2HG MET 109 0.904 -3.684 1.845 258 1HE MET 109 1HE MET 109 3.336 -4.677 3.619 259 2HE MET 109 2HE MET 109 4.616 -5.127 2.496 260 3HE MET 109 3HE MET 109 3.744 -3.616 2.263 261 H THR 110 H THR 110 -0.446 -4.871 6.853 262 HA THR 110 HA THR 110 0.217 -7.729 7.165 263 HB THR 110 HB THR 110 1.276 -5.961 8.583 264 HG1 THR 110 HG1 THR 110 -0.283 -7.516 10.299 265 1HG2 THR 110 1HG2 THR 110 -1.069 -4.773 8.673 266 2HG2 THR 110 2HG2 THR 110 -1.308 -5.796 10.088 267 3HG2 THR 110 3HG2 THR 110 0.034 -4.652 10.046 268 H ASN 111 H ASN 111 -2.425 -7.211 6.046 269 HA ASN 111 HA ASN 111 -3.988 -8.953 7.646 270 1HB ASN 111 1HB ASN 111 -5.756 -7.146 8.321 271 2HB ASN 111 2HB ASN 111 -4.346 -7.394 9.346 272 1HD2 ASN 111 1HD2 ASN 111 -4.950 -3.717 8.148 273 2HD2 ASN 111 2HD2 ASN 111 -6.132 -4.905 8.435 274 H LEU 112 H LEU 112 -4.184 -6.153 5.450 275 HA LEU 112 HA LEU 112 -6.678 -6.729 4.270 276 1HB LEU 112 1HB LEU 112 -5.868 -5.535 2.282 277 2HB LEU 112 2HB LEU 112 -5.441 -4.679 3.753 278 HG LEU 112 HG LEU 112 -3.372 -4.558 2.848 279 1HD1 LEU 112 1HD1 LEU 112 -3.413 -7.464 3.657 280 2HD1 LEU 112 2HD1 LEU 112 -1.993 -6.730 2.943 281 3HD1 LEU 112 3HD1 LEU 112 -2.634 -6.113 4.449 282 1HD2 LEU 112 1HD2 LEU 112 -4.614 -6.376 0.917 283 2HD2 LEU 112 2HD2 LEU 112 -3.538 -5.007 0.650 284 3HD2 LEU 112 3HD2 LEU 112 -2.870 -6.586 1.058 285 H GLY 113 H GLY 113 -6.145 -7.193 1.505 286 1HA GLY 113 1HA GLY 113 -6.390 -9.918 1.180 287 2HA GLY 113 2HA GLY 113 -5.579 -8.913 -0.024 288 H GLU 114 H GLU 114 -3.479 -8.125 1.930 289 HA GLU 114 HA GLU 114 -1.843 -10.600 1.695 290 1HB GLU 114 1HB GLU 114 -0.750 -7.936 2.571 291 2HB GLU 114 2HB GLU 114 0.074 -9.253 1.745 292 1HG GLU 114 1HG GLU 114 -2.177 -8.241 0.183 293 2HG GLU 114 2HG GLU 114 -0.988 -6.986 0.526 294 H LYS 115 H LYS 115 0.011 -9.585 3.778 295 HA LYS 115 HA LYS 115 -0.749 -9.067 6.300 296 1HB LYS 115 1HB LYS 115 -2.632 -10.563 6.320 297 2HB LYS 115 2HB LYS 115 -1.671 -11.883 5.652 298 1HG LYS 115 1HG LYS 115 -0.260 -11.819 7.727 299 2HG LYS 115 2HG LYS 115 -1.369 -10.622 8.392 300 1HD LYS 115 1HD LYS 115 -3.222 -12.367 7.840 301 2HD LYS 115 2HD LYS 115 -1.889 -13.520 7.755 302 1HE LYS 115 1HE LYS 115 -1.781 -13.626 10.000 303 2HE LYS 115 2HE LYS 115 -1.594 -11.876 10.107 304 1HZ LYS 115 1HZ LYS 115 -4.191 -13.276 9.770 305 2HZ LYS 115 2HZ LYS 115 -3.587 -12.710 11.254 306 3HZ LYS 115 3HZ LYS 115 -3.959 -11.611 10.018 307 H LEU 116 H LEU 116 1.559 -8.727 6.256 308 HA LEU 116 HA LEU 116 3.142 -11.251 6.478 309 1HB LEU 116 1HB LEU 116 5.091 -9.835 5.711 310 2HB LEU 116 2HB LEU 116 3.836 -10.069 4.495 311 HG LEU 116 HG LEU 116 3.722 -7.675 6.319 312 1HD1 LEU 116 1HD1 LEU 116 5.533 -8.128 3.956 313 2HD1 LEU 116 2HD1 LEU 116 4.907 -6.515 4.297 314 3HD1 LEU 116 3HD1 LEU 116 5.896 -7.348 5.496 315 1HD2 LEU 116 1HD2 LEU 116 2.267 -8.716 4.072 316 2HD2 LEU 116 2HD2 LEU 116 1.940 -7.253 5.001 317 3HD2 LEU 116 3HD2 LEU 116 3.008 -7.187 3.598 318 H THR 117 H THR 117 5.135 -8.704 7.202 319 HA THR 117 HA THR 117 4.382 -8.749 10.090 320 HB THR 117 HB THR 117 7.251 -8.490 9.617 321 HG1 THR 117 HG1 THR 117 5.928 -10.871 8.826 322 1HG2 THR 117 1HG2 THR 117 5.516 -9.350 11.612 323 2HG2 THR 117 2HG2 THR 117 6.290 -10.838 11.063 324 3HG2 THR 117 3HG2 THR 117 7.275 -9.492 11.639 325 H ASP 118 H ASP 118 5.744 -6.914 11.245 326 HA ASP 118 HA ASP 118 5.150 -4.447 9.773 327 1HB ASP 118 1HB ASP 118 4.689 -4.647 12.210 328 2HB ASP 118 2HB ASP 118 6.419 -4.838 12.506 329 H GLU 119 H GLU 119 8.042 -6.190 10.879 330 HA GLU 119 HA GLU 119 9.836 -4.088 9.938 331 1HB GLU 119 1HB GLU 119 11.607 -5.854 10.330 332 2HB GLU 119 2HB GLU 119 10.615 -5.499 11.745 333 1HG GLU 119 1HG GLU 119 9.294 -7.473 11.428 334 2HG GLU 119 2HG GLU 119 9.986 -7.756 9.829 335 H GLU 120 H GLU 120 8.281 -6.886 8.607 336 HA GLU 120 HA GLU 120 10.054 -7.112 6.297 337 1HB GLU 120 1HB GLU 120 8.844 -9.087 7.028 338 2HB GLU 120 2HB GLU 120 7.302 -8.240 6.899 339 1HG GLU 120 1HG GLU 120 7.226 -9.223 4.844 340 2HG GLU 120 2HG GLU 120 8.273 -7.881 4.382 341 H VAL 121 H VAL 121 6.801 -5.806 6.927 342 HA VAL 121 HA VAL 121 6.377 -4.840 4.250 343 HB VAL 121 HB VAL 121 4.466 -5.111 5.691 344 1HG1 VAL 121 1HG1 VAL 121 6.125 -4.305 7.722 345 2HG1 VAL 121 2HG1 VAL 121 5.069 -2.907 7.531 346 3HG1 VAL 121 3HG1 VAL 121 4.379 -4.495 7.861 347 1HG2 VAL 121 1HG2 VAL 121 4.891 -2.906 4.183 348 2HG2 VAL 121 2HG2 VAL 121 3.377 -3.212 5.036 349 3HG2 VAL 121 3HG2 VAL 121 4.594 -2.151 5.750 350 H ASP 122 H ASP 122 7.566 -3.273 7.217 351 HA ASP 122 HA ASP 122 7.886 -0.662 6.097 352 1HB ASP 122 1HB ASP 122 7.992 -1.444 8.578 353 2HB ASP 122 2HB ASP 122 9.696 -1.756 8.242 354 H GLU 123 H GLU 123 9.920 -3.528 5.971 355 HA GLU 123 HA GLU 123 12.257 -2.081 4.988 356 1HB GLU 123 1HB GLU 123 11.618 -4.789 5.817 357 2HB GLU 123 2HB GLU 123 12.505 -4.793 4.292 358 1HG GLU 123 1HG GLU 123 14.040 -3.036 5.501 359 2HG GLU 123 2HG GLU 123 13.357 -3.734 6.970 360 H MET 124 H MET 124 9.334 -3.167 3.640 361 HA MET 124 HA MET 124 10.507 -3.344 0.914 362 1HB MET 124 1HB MET 124 8.973 -5.154 1.545 363 2HB MET 124 2HB MET 124 7.716 -3.974 1.922 364 1HG MET 124 1HG MET 124 7.261 -4.797 -0.291 365 2HG MET 124 2HG MET 124 7.900 -3.163 -0.467 366 1HE MET 124 1HE MET 124 8.675 -6.788 -0.116 367 2HE MET 124 2HE MET 124 10.122 -7.114 -1.066 368 3HE MET 124 3HE MET 124 10.265 -6.306 0.493 369 H ILE 125 H ILE 125 8.786 -1.221 3.007 370 HA ILE 125 HA ILE 125 7.355 0.298 1.041 371 HB ILE 125 HB ILE 125 7.807 0.397 3.863 372 1HG1 ILE 125 1HG1 ILE 125 6.002 2.418 2.830 373 2HG1 ILE 125 2HG1 ILE 125 5.799 0.879 1.988 374 1HG2 ILE 125 1HG2 ILE 125 8.365 3.020 2.450 375 2HG2 ILE 125 2HG2 ILE 125 7.895 2.902 4.146 376 3HG2 ILE 125 3HG2 ILE 125 9.411 2.186 3.600 377 1HD1 ILE 125 1HD1 ILE 125 6.120 0.734 4.936 378 2HD1 ILE 125 2HD1 ILE 125 4.602 1.415 4.350 379 3HD1 ILE 125 3HD1 ILE 125 5.088 -0.212 3.868 380 H ARG 126 H ARG 126 10.666 -0.068 1.554 381 HA ARG 126 HA ARG 126 11.516 2.587 0.783 382 1HB ARG 126 1HB ARG 126 13.673 1.227 0.175 383 2HB ARG 126 2HB ARG 126 13.192 1.366 1.865 384 1HG ARG 126 1HG ARG 126 12.329 -0.828 1.935 385 2HG ARG 126 2HG ARG 126 12.249 -0.944 0.175 386 1HD ARG 126 1HD ARG 126 14.162 -2.213 0.716 387 2HD ARG 126 2HD ARG 126 14.828 -0.647 0.250 388 HE ARG 126 HE ARG 126 14.386 -0.529 3.031 389 1HH1 ARG 126 1HH1 ARG 126 15.316 -3.456 2.440 390 2HH1 ARG 126 2HH1 ARG 126 17.005 -3.301 2.789 391 1HH2 ARG 126 1HH2 ARG 126 16.965 0.167 2.758 392 2HH2 ARG 126 2HH2 ARG 126 17.940 -1.251 2.969 393 H GLU 127 H GLU 127 9.765 0.361 -0.880 394 HA GLU 127 HA GLU 127 11.020 0.961 -3.509 395 1HB GLU 127 1HB GLU 127 9.411 -1.287 -2.379 396 2HB GLU 127 2HB GLU 127 9.219 -0.924 -4.098 397 1HG GLU 127 1HG GLU 127 11.000 -2.445 -4.128 398 2HG GLU 127 2HG GLU 127 11.843 -0.895 -4.115 399 H ALA 128 H ALA 128 7.998 1.125 -1.653 400 HA ALA 128 HA ALA 128 6.641 2.403 -3.975 401 1HB ALA 128 1HB ALA 128 5.731 1.096 -1.433 402 2HB ALA 128 2HB ALA 128 4.670 2.263 -2.226 403 3HB ALA 128 3HB ALA 128 5.188 0.815 -3.089 404 H ASP 129 H ASP 129 8.256 3.238 -1.108 405 HA ASP 129 HA ASP 129 6.743 5.740 -0.706 406 1HB ASP 129 1HB ASP 129 7.754 4.204 1.135 407 2HB ASP 129 2HB ASP 129 9.287 4.977 0.721 408 H ILE 130 H ILE 130 8.595 7.622 -0.159 409 HA ILE 130 HA ILE 130 9.853 9.235 -1.310 410 HB ILE 130 HB ILE 130 12.058 8.526 -1.784 411 1HG1 ILE 130 1HG1 ILE 130 11.179 5.650 -2.076 412 2HG1 ILE 130 2HG1 ILE 130 11.205 6.735 -3.464 413 1HG2 ILE 130 1HG2 ILE 130 11.253 8.061 0.559 414 2HG2 ILE 130 2HG2 ILE 130 10.979 6.387 0.072 415 3HG2 ILE 130 3HG2 ILE 130 12.612 7.057 0.054 416 1HD1 ILE 130 1HD1 ILE 130 13.631 7.289 -2.672 417 2HD1 ILE 130 2HD1 ILE 130 13.501 5.771 -1.783 418 3HD1 ILE 130 3HD1 ILE 130 13.340 5.781 -3.539 419 H ASP 131 H ASP 131 7.638 7.953 -2.817 420 HA ASP 131 HA ASP 131 8.638 7.706 -5.567 421 1HB ASP 131 1HB ASP 131 6.634 6.441 -4.573 422 2HB ASP 131 2HB ASP 131 5.747 7.959 -4.720 423 H GLY 132 H GLY 132 9.382 10.178 -4.576 424 1HA GLY 132 1HA GLY 132 9.391 12.296 -5.755 425 2HA GLY 132 2HA GLY 132 7.736 11.978 -6.276 426 H ASP 133 H ASP 133 6.040 12.070 -4.574 427 HA ASP 133 HA ASP 133 6.840 13.789 -2.263 428 1HB ASP 133 1HB ASP 133 5.121 14.467 -4.477 429 2HB ASP 133 2HB ASP 133 4.183 14.454 -2.983 430 H GLY 134 H GLY 134 3.684 12.511 -3.318 431 1HA GLY 134 1HA GLY 134 2.803 11.733 -0.768 432 2HA GLY 134 2HA GLY 134 2.238 10.985 -2.263 433 H GLN 135 H GLN 135 3.512 10.185 0.608 434 HA GLN 135 HA GLN 135 5.723 8.525 0.207 435 1HB GLN 135 1HB GLN 135 3.307 8.174 1.993 436 2HB GLN 135 2HB GLN 135 4.717 7.120 2.080 437 1HG GLN 135 1HG GLN 135 4.905 10.133 2.294 438 2HG GLN 135 2HG GLN 135 4.722 9.085 3.701 439 1HE2 GLN 135 1HE2 GLN 135 8.168 8.430 3.809 440 2HE2 GLN 135 2HE2 GLN 135 6.699 8.598 4.644 441 H VAL 136 H VAL 136 2.971 6.518 0.914 442 HA VAL 136 HA VAL 136 3.454 5.088 -1.669 443 HB VAL 136 HB VAL 136 3.875 3.638 0.164 444 1HG1 VAL 136 1HG1 VAL 136 1.517 5.048 1.350 445 2HG1 VAL 136 2HG1 VAL 136 1.877 3.410 1.891 446 3HG1 VAL 136 3HG1 VAL 136 3.081 4.682 2.075 447 1HG2 VAL 136 1HG2 VAL 136 1.986 3.040 -1.666 448 2HG2 VAL 136 2HG2 VAL 136 2.457 1.912 -0.396 449 3HG2 VAL 136 3HG2 VAL 136 1.011 2.903 -0.204 450 H ASN 137 H ASN 137 2.031 6.260 -2.981 451 HA ASN 137 HA ASN 137 -0.707 6.800 -2.103 452 1HB ASN 137 1HB ASN 137 -0.905 8.079 -4.079 453 2HB ASN 137 2HB ASN 137 0.739 8.335 -3.500 454 1HD2 ASN 137 1HD2 ASN 137 1.569 5.596 -6.145 455 2HD2 ASN 137 2HD2 ASN 137 1.313 5.397 -4.482 456 H TYR 138 H TYR 138 -0.640 4.079 -2.101 457 HA TYR 138 HA TYR 138 -1.856 2.251 -2.922 458 1HB TYR 138 1HB TYR 138 -3.130 4.490 -4.489 459 2HB TYR 138 2HB TYR 138 -3.657 2.812 -4.629 460 HD1 TYR 138 HD1 TYR 138 -2.545 4.906 -1.700 461 HD2 TYR 138 HD2 TYR 138 -5.623 2.494 -3.476 462 HE1 TYR 138 HE1 TYR 138 -3.897 5.129 0.354 463 HE2 TYR 138 HE2 TYR 138 -6.979 2.722 -1.417 464 HH TYR 138 HH TYR 138 -5.968 4.843 1.211 465 H GLU 139 H GLU 139 -1.729 4.086 -5.977 466 HA GLU 139 HA GLU 139 -1.238 2.030 -7.690 467 1HB GLU 139 1HB GLU 139 0.383 4.558 -7.986 468 2HB GLU 139 2HB GLU 139 -0.371 3.583 -9.247 469 1HG GLU 139 1HG GLU 139 -2.593 4.216 -7.941 470 2HG GLU 139 2HG GLU 139 -1.614 5.580 -7.396 471 H GLU 140 H GLU 140 1.199 3.659 -5.674 472 HA GLU 140 HA GLU 140 3.332 1.888 -6.662 473 1HB GLU 140 1HB GLU 140 3.169 4.116 -4.640 474 2HB GLU 140 2HB GLU 140 4.565 3.037 -4.655 475 1HG GLU 140 1HG GLU 140 3.606 4.362 -7.187 476 2HG GLU 140 2HG GLU 140 4.697 5.198 -6.081 477 H PHE 141 H PHE 141 1.106 2.175 -4.039 478 HA PHE 141 HA PHE 141 2.208 0.423 -2.108 479 1HB PHE 141 1HB PHE 141 0.241 1.920 -1.788 480 2HB PHE 141 2HB PHE 141 -0.701 0.853 -2.822 481 HD1 PHE 141 HD1 PHE 141 1.841 -0.587 -0.610 482 HD2 PHE 141 HD2 PHE 141 -2.307 0.434 -1.008 483 HE1 PHE 141 HE1 PHE 141 1.299 -1.993 1.346 484 HE2 PHE 141 HE2 PHE 141 -2.843 -0.966 0.967 485 HZ PHE 141 HZ PHE 141 -1.044 -2.194 2.135 486 H VAL 142 H VAL 142 0.414 -0.296 -5.077 487 HA VAL 142 HA VAL 142 -0.235 -3.007 -4.437 488 HB VAL 142 HB VAL 142 -1.440 -2.090 -6.238 489 1HG1 VAL 142 1HG1 VAL 142 1.247 -1.076 -7.091 490 2HG1 VAL 142 2HG1 VAL 142 -0.015 -1.280 -8.305 491 3HG1 VAL 142 3HG1 VAL 142 -0.279 -0.202 -6.932 492 1HG2 VAL 142 1HG2 VAL 142 -0.314 -4.434 -6.613 493 2HG2 VAL 142 2HG2 VAL 142 -1.124 -3.640 -7.964 494 3HG2 VAL 142 3HG2 VAL 142 0.633 -3.578 -7.830 495 H GLN 143 H GLN 143 2.761 -1.571 -4.973 496 HA GLN 143 HA GLN 143 4.029 -3.879 -6.261 497 1HB GLN 143 1HB GLN 143 4.722 -1.308 -6.276 498 2HB GLN 143 2HB GLN 143 5.610 -1.780 -4.827 499 1HG GLN 143 1HG GLN 143 7.235 -2.417 -6.282 500 2HG GLN 143 2HG GLN 143 6.218 -3.836 -6.540 501 1HE2 GLN 143 1HE2 GLN 143 5.814 -0.809 -9.306 502 2HE2 GLN 143 2HE2 GLN 143 6.001 -0.406 -7.668 503 H MET 144 H MET 144 3.328 -2.793 -3.043 504 HA MET 144 HA MET 144 5.312 -4.553 -1.780 505 1HB MET 144 1HB MET 144 2.984 -3.355 -0.306 506 2HB MET 144 2HB MET 144 4.625 -3.652 0.264 507 1HG MET 144 1HG MET 144 4.457 -1.777 -1.998 508 2HG MET 144 2HG MET 144 3.676 -1.209 -0.526 509 1HE MET 144 1HE MET 144 6.266 -1.047 -2.566 510 2HE MET 144 2HE MET 144 7.764 -0.727 -1.694 511 3HE MET 144 3HE MET 144 7.300 -2.388 -2.056 512 H MET 145 H MET 145 2.139 -4.790 -3.020 513 HA MET 145 HA MET 145 1.550 -7.176 -1.359 514 1HB MET 145 1HB MET 145 -0.536 -6.693 -3.256 515 2HB MET 145 2HB MET 145 -0.596 -6.515 -1.506 516 1HG MET 145 1HG MET 145 0.433 -4.384 -3.399 517 2HG MET 145 2HG MET 145 -1.195 -4.421 -2.731 518 1HE MET 145 1HE MET 145 -1.645 -4.893 -0.380 519 2HE MET 145 2HE MET 145 -0.916 -3.972 0.932 520 3HE MET 145 3HE MET 145 -1.743 -3.135 -0.388 521 H THR 146 H THR 146 3.108 -6.484 -4.197 522 HA THR 146 HA THR 146 3.034 -9.262 -5.051 523 HB THR 146 HB THR 146 0.920 -8.465 -6.052 524 HG1 THR 146 HG1 THR 146 2.569 -9.850 -7.181 525 1HG2 THR 146 1HG2 THR 146 2.700 -6.235 -6.867 526 2HG2 THR 146 2HG2 THR 146 1.521 -6.765 -8.067 527 3HG2 THR 146 3HG2 THR 146 0.979 -6.219 -6.480 528 H ALA 147 H ALA 147 4.913 -7.008 -4.343 529 HA ALA 147 HA ALA 147 6.320 -5.970 -6.525 530 1HB ALA 147 1HB ALA 147 6.942 -6.623 -3.732 531 2HB ALA 147 2HB ALA 147 8.349 -6.712 -4.793 532 3HB ALA 147 3HB ALA 147 7.416 -5.219 -4.689 533 H LYS 148 H LYS 148 7.886 -8.648 -4.824 534 HA LYS 148 HA LYS 148 8.987 -10.544 -5.659 535 1HB LYS 148 1HB LYS 148 6.677 -10.202 -7.546 536 2HB LYS 148 2HB LYS 148 7.924 -11.392 -7.919 537 1HG LYS 148 1HG LYS 148 6.479 -12.685 -6.642 538 2HG LYS 148 2HG LYS 148 7.567 -12.086 -5.390 539 1HD LYS 148 1HD LYS 148 5.292 -10.306 -6.027 540 2HD LYS 148 2HD LYS 148 4.854 -11.842 -5.279 541 1HE LYS 148 1HE LYS 148 7.172 -10.709 -3.967 542 2HE LYS 148 2HE LYS 148 5.841 -9.552 -3.974 543 1HZ LYS 148 1HZ LYS 148 5.604 -12.384 -3.113 544 2HZ LYS 148 2HZ LYS 148 5.802 -11.069 -2.054 545 3HZ LYS 148 3HZ LYS 148 4.404 -11.185 -3.007 No H/Q in entry = 545 Start of MODEL 20 Raw file had 555 H/Q atoms Start of MODEL 20 1 1H MET 76 1H MET 76 -14.639 -2.989 -13.343 2 2H MET 76 2H MET 76 -15.391 -2.845 -14.860 3 3H MET 76 3H MET 76 -16.306 -2.689 -13.437 4 HA MET 76 HA MET 76 -16.271 -4.932 -12.979 5 1HB MET 76 1HB MET 76 -17.319 -4.172 -15.302 6 2HB MET 76 2HB MET 76 -16.036 -5.192 -15.952 7 1HG MET 76 1HG MET 76 -17.745 -6.750 -15.688 8 2HG MET 76 2HG MET 76 -16.902 -6.911 -14.147 9 1HE MET 76 1HE MET 76 -17.887 -7.152 -12.284 10 2HE MET 76 2HE MET 76 -19.507 -6.708 -11.753 11 3HE MET 76 3HE MET 76 -19.302 -7.955 -12.980 12 H LYS 77 H LYS 77 -13.942 -4.426 -15.655 13 HA LYS 77 HA LYS 77 -12.116 -6.327 -14.257 14 1HB LYS 77 1HB LYS 77 -13.452 -7.226 -16.352 15 2HB LYS 77 2HB LYS 77 -12.247 -6.305 -17.254 16 1HG LYS 77 1HG LYS 77 -10.539 -7.709 -16.669 17 2HG LYS 77 2HG LYS 77 -11.198 -8.004 -15.060 18 1HD LYS 77 1HD LYS 77 -12.426 -9.799 -15.748 19 2HD LYS 77 2HD LYS 77 -12.819 -9.060 -17.301 20 1HE LYS 77 1HE LYS 77 -9.969 -9.774 -16.903 21 2HE LYS 77 2HE LYS 77 -11.087 -11.132 -17.039 22 1HZ LYS 77 1HZ LYS 77 -11.243 -8.896 -18.949 23 2HZ LYS 77 2HZ LYS 77 -10.075 -10.111 -19.163 24 3HZ LYS 77 3HZ LYS 77 -11.723 -10.514 -19.147 25 H ASP 78 H ASP 78 -11.645 -3.770 -13.805 26 HA ASP 78 HA ASP 78 -9.497 -3.029 -15.753 27 1HB ASP 78 1HB ASP 78 -10.020 -0.640 -14.685 28 2HB ASP 78 2HB ASP 78 -10.936 -1.246 -16.064 29 H THR 79 H THR 79 -10.363 -1.718 -12.551 30 HA THR 79 HA THR 79 -7.552 -2.206 -11.722 31 HB THR 79 HB THR 79 -8.822 0.067 -11.482 32 HG1 THR 79 HG1 THR 79 -6.957 0.111 -10.486 33 1HG2 THR 79 1HG2 THR 79 -10.807 -1.011 -10.367 34 2HG2 THR 79 2HG2 THR 79 -9.776 -1.338 -8.973 35 3HG2 THR 79 3HG2 THR 79 -10.111 0.328 -9.453 36 H ASP 80 H ASP 80 -9.822 -4.254 -11.828 37 HA ASP 80 HA ASP 80 -10.836 -5.012 -9.371 38 1HB ASP 80 1HB ASP 80 -10.544 -7.383 -10.115 39 2HB ASP 80 2HB ASP 80 -11.230 -6.350 -11.370 40 H SER 81 H SER 81 -7.482 -4.972 -10.337 41 HA SER 81 HA SER 81 -6.452 -6.719 -8.323 42 1HB SER 81 1HB SER 81 -5.204 -5.805 -10.347 43 2HB SER 81 2HB SER 81 -5.028 -4.300 -9.449 44 HG SER 81 HG SER 81 -3.240 -5.558 -9.034 45 H GLU 82 H GLU 82 -6.612 -3.128 -8.350 46 HA GLU 82 HA GLU 82 -5.946 -3.069 -5.501 47 1HB GLU 82 1HB GLU 82 -7.064 -0.636 -6.794 48 2HB GLU 82 2HB GLU 82 -5.645 -0.812 -5.760 49 1HG GLU 82 1HG GLU 82 -4.638 -2.118 -7.791 50 2HG GLU 82 2HG GLU 82 -5.894 -1.298 -8.720 51 H GLU 83 H GLU 83 -8.693 -3.950 -7.029 52 HA GLU 83 HA GLU 83 -10.794 -2.468 -5.917 53 1HB GLU 83 1HB GLU 83 -12.182 -4.367 -6.245 54 2HB GLU 83 2HB GLU 83 -10.932 -4.497 -7.483 55 1HG GLU 83 1HG GLU 83 -9.630 -5.941 -5.880 56 2HG GLU 83 2HG GLU 83 -11.051 -5.952 -4.841 57 H GLU 84 H GLU 84 -8.784 -4.955 -4.420 58 HA GLU 84 HA GLU 84 -10.193 -4.526 -1.832 59 1HB GLU 84 1HB GLU 84 -8.892 -6.776 -3.090 60 2HB GLU 84 2HB GLU 84 -8.117 -6.432 -1.543 61 1HG GLU 84 1HG GLU 84 -10.070 -6.801 -0.327 62 2HG GLU 84 2HG GLU 84 -11.114 -6.453 -1.706 63 H ILE 85 H ILE 85 -7.374 -3.635 -3.553 64 HA ILE 85 HA ILE 85 -5.582 -3.256 -1.320 65 HB ILE 85 HB ILE 85 -5.659 -1.942 -4.050 66 1HG1 ILE 85 1HG1 ILE 85 -4.145 -4.316 -2.922 67 2HG1 ILE 85 2HG1 ILE 85 -5.337 -4.339 -4.220 68 1HG2 ILE 85 1HG2 ILE 85 -3.582 -1.937 -1.847 69 2HG2 ILE 85 2HG2 ILE 85 -3.224 -1.483 -3.514 70 3HG2 ILE 85 3HG2 ILE 85 -4.381 -0.541 -2.573 71 1HD1 ILE 85 1HD1 ILE 85 -3.817 -2.796 -5.523 72 2HD1 ILE 85 2HD1 ILE 85 -2.596 -3.053 -4.276 73 3HD1 ILE 85 3HD1 ILE 85 -3.160 -4.410 -5.252 74 H ARG 86 H ARG 86 -7.333 -0.823 -3.289 75 HA ARG 86 HA ARG 86 -6.823 1.380 -1.672 76 1HB ARG 86 1HB ARG 86 -8.157 2.401 -3.178 77 2HB ARG 86 2HB ARG 86 -8.490 0.818 -3.863 78 1HG ARG 86 1HG ARG 86 -10.631 1.626 -3.416 79 2HG ARG 86 2HG ARG 86 -10.300 0.664 -1.977 80 1HD ARG 86 1HD ARG 86 -9.895 2.569 -0.648 81 2HD ARG 86 2HD ARG 86 -9.592 3.591 -2.053 82 HE ARG 86 HE ARG 86 -12.261 2.796 -1.047 83 1HH1 ARG 86 1HH1 ARG 86 -10.503 5.315 -2.260 84 2HH1 ARG 86 2HH1 ARG 86 -11.669 5.832 -3.431 85 1HH2 ARG 86 1HH2 ARG 86 -13.680 3.032 -3.056 86 2HH2 ARG 86 2HH2 ARG 86 -13.467 4.540 -3.882 87 H GLU 87 H GLU 87 -9.277 -1.135 -1.200 88 HA GLU 87 HA GLU 87 -10.600 0.111 1.022 89 1HB GLU 87 1HB GLU 87 -11.702 -1.770 0.047 90 2HB GLU 87 2HB GLU 87 -10.258 -2.774 0.166 91 1HG GLU 87 1HG GLU 87 -10.548 -3.171 2.425 92 2HG GLU 87 2HG GLU 87 -11.391 -1.646 2.693 93 H ALA 88 H ALA 88 -7.821 -2.062 0.756 94 HA ALA 88 HA ALA 88 -7.307 -1.959 3.657 95 1HB ALA 88 1HB ALA 88 -6.863 -4.016 2.307 96 2HB ALA 88 2HB ALA 88 -5.634 -3.123 1.411 97 3HB ALA 88 3HB ALA 88 -5.426 -3.422 3.137 98 H PHE 89 H PHE 89 -7.260 0.548 3.083 99 HA PHE 89 HA PHE 89 -4.711 1.566 3.603 100 1HB PHE 89 1HB PHE 89 -4.822 0.627 0.962 101 2HB PHE 89 2HB PHE 89 -5.044 2.364 0.816 102 HD1 PHE 89 HD1 PHE 89 -3.124 0.691 3.518 103 HD2 PHE 89 HD2 PHE 89 -2.898 2.927 -0.120 104 HE1 PHE 89 HE1 PHE 89 -0.710 1.050 3.872 105 HE2 PHE 89 HE2 PHE 89 -0.498 3.290 0.224 106 HZ PHE 89 HZ PHE 89 0.616 2.339 2.225 107 H ARG 90 H ARG 90 -7.903 1.923 2.296 108 HA ARG 90 HA ARG 90 -8.011 4.763 2.143 109 1HB ARG 90 1HB ARG 90 -10.442 4.456 2.204 110 2HB ARG 90 2HB ARG 90 -9.729 3.222 1.163 111 1HG ARG 90 1HG ARG 90 -9.918 1.545 2.845 112 2HG ARG 90 2HG ARG 90 -10.268 2.738 4.097 113 1HD ARG 90 1HD ARG 90 -12.226 1.344 2.972 114 2HD ARG 90 2HD ARG 90 -12.455 3.040 3.393 115 HE ARG 90 HE ARG 90 -11.563 2.339 0.636 116 1HH1 ARG 90 1HH1 ARG 90 -12.226 5.142 1.201 117 2HH1 ARG 90 2HH1 ARG 90 -13.887 5.261 0.726 118 1HH2 ARG 90 1HH2 ARG 90 -14.415 1.834 0.739 119 2HH2 ARG 90 2HH2 ARG 90 -15.127 3.389 0.464 120 H VAL 91 H VAL 91 -7.887 2.491 4.685 121 HA VAL 91 HA VAL 91 -9.242 3.750 6.775 122 HB VAL 91 HB VAL 91 -6.584 2.291 6.889 123 1HG1 VAL 91 1HG1 VAL 91 -8.621 3.022 9.010 124 2HG1 VAL 91 2HG1 VAL 91 -7.382 1.789 9.249 125 3HG1 VAL 91 3HG1 VAL 91 -6.915 3.466 8.959 126 1HG2 VAL 91 1HG2 VAL 91 -8.801 1.229 5.892 127 2HG2 VAL 91 2HG2 VAL 91 -7.784 0.300 6.995 128 3HG2 VAL 91 3HG2 VAL 91 -9.243 1.091 7.594 129 H PHE 92 H PHE 92 -6.242 4.586 5.213 130 HA PHE 92 HA PHE 92 -5.828 6.774 7.194 131 1HB PHE 92 1HB PHE 92 -3.869 5.690 5.169 132 2HB PHE 92 2HB PHE 92 -3.527 6.777 6.514 133 HD1 PHE 92 HD1 PHE 92 -4.257 5.959 8.862 134 HD2 PHE 92 HD2 PHE 92 -3.634 3.382 5.500 135 HE1 PHE 92 HE1 PHE 92 -3.959 4.025 10.405 136 HE2 PHE 92 HE2 PHE 92 -3.336 1.444 7.025 137 HZ PHE 92 HZ PHE 92 -3.500 1.764 9.479 138 H ASP 93 H ASP 93 -5.917 6.033 3.713 139 HA ASP 93 HA ASP 93 -5.456 8.642 2.728 140 1HB ASP 93 1HB ASP 93 -5.536 6.764 1.195 141 2HB ASP 93 2HB ASP 93 -7.194 6.387 1.671 142 H LYS 94 H LYS 94 -6.474 10.011 4.253 143 HA LYS 94 HA LYS 94 -8.977 10.063 5.305 144 1HB LYS 94 1HB LYS 94 -7.558 12.438 4.075 145 2HB LYS 94 2HB LYS 94 -8.862 12.530 5.262 146 1HG LYS 94 1HG LYS 94 -7.535 11.743 6.989 147 2HG LYS 94 2HG LYS 94 -6.494 10.814 5.909 148 1HD LYS 94 1HD LYS 94 -5.111 12.585 5.508 149 2HD LYS 94 2HD LYS 94 -6.437 13.748 5.503 150 1HE LYS 94 1HE LYS 94 -6.181 14.220 7.706 151 2HE LYS 94 2HE LYS 94 -5.967 12.521 8.132 152 1HZ LYS 94 1HZ LYS 94 -3.790 13.683 6.627 153 2HZ LYS 94 2HZ LYS 94 -4.008 14.348 8.172 154 3HZ LYS 94 3HZ LYS 94 -3.753 12.678 7.995 155 H ASP 95 H ASP 95 -8.982 12.543 2.881 156 HA ASP 95 HA ASP 95 -11.426 11.269 1.735 157 1HB ASP 95 1HB ASP 95 -11.140 13.760 2.829 158 2HB ASP 95 2HB ASP 95 -10.895 14.104 1.116 159 H GLY 96 H GLY 96 -8.218 11.675 0.986 160 1HA GLY 96 1HA GLY 96 -8.346 10.726 -1.620 161 2HA GLY 96 2HA GLY 96 -8.470 12.476 -1.794 162 H ASN 97 H ASN 97 -6.559 10.590 0.559 163 HA ASN 97 HA ASN 97 -4.190 12.179 -0.239 164 1HB ASN 97 1HB ASN 97 -4.525 11.988 2.136 165 2HB ASN 97 2HB ASN 97 -4.728 10.243 2.030 166 1HD2 ASN 97 1HD2 ASN 97 -1.169 11.322 3.010 167 2HD2 ASN 97 2HD2 ASN 97 -2.665 11.942 3.517 168 H GLY 98 H GLY 98 -4.742 8.713 0.484 169 1HA GLY 98 1HA GLY 98 -4.186 6.856 -0.902 170 2HA GLY 98 2HA GLY 98 -3.466 7.973 -2.064 171 H TYR 99 H TYR 99 -1.583 9.311 -0.728 172 HA TYR 99 HA TYR 99 0.446 7.286 -0.233 173 1HB TYR 99 1HB TYR 99 1.957 9.011 -0.463 174 2HB TYR 99 2HB TYR 99 0.579 9.764 -1.260 175 HD1 TYR 99 HD1 TYR 99 2.527 9.583 1.879 176 HD2 TYR 99 HD2 TYR 99 -0.612 11.628 -0.230 177 HE1 TYR 99 HE1 TYR 99 2.579 11.399 3.563 178 HE2 TYR 99 HE2 TYR 99 -0.552 13.446 1.453 179 HH TYR 99 HH TYR 99 1.866 14.041 3.439 180 H ILE 100 H ILE 100 1.234 6.619 1.730 181 HA ILE 100 HA ILE 100 0.380 8.127 4.123 182 HB ILE 100 HB ILE 100 0.022 5.607 5.048 183 1HG1 ILE 100 1HG1 ILE 100 -0.979 5.601 2.167 184 2HG1 ILE 100 2HG1 ILE 100 0.256 4.530 2.843 185 1HG2 ILE 100 1HG2 ILE 100 -1.515 7.904 4.437 186 2HG2 ILE 100 2HG2 ILE 100 -2.439 6.520 3.858 187 3HG2 ILE 100 3HG2 ILE 100 -1.936 6.602 5.545 188 1HD1 ILE 100 1HD1 ILE 100 -2.459 4.690 4.117 189 2HD1 ILE 100 2HD1 ILE 100 -2.200 3.685 2.699 190 3HD1 ILE 100 3HD1 ILE 100 -1.280 3.381 4.172 191 H SER 101 H SER 101 1.495 7.044 6.140 192 HA SER 101 HA SER 101 4.347 7.033 5.530 193 1HB SER 101 1HB SER 101 2.770 6.749 8.093 194 2HB SER 101 2HB SER 101 4.531 6.722 8.041 195 HG SER 101 HG SER 101 2.741 8.811 7.611 196 H ALA 102 H ALA 102 5.726 5.321 6.749 197 HA ALA 102 HA ALA 102 5.124 2.732 5.643 198 1HB ALA 102 1HB ALA 102 7.443 3.530 6.108 199 2HB ALA 102 2HB ALA 102 7.098 3.455 7.835 200 3HB ALA 102 3HB ALA 102 7.110 1.977 6.874 201 H ALA 103 H ALA 103 4.537 4.277 8.726 202 HA ALA 103 HA ALA 103 3.900 1.909 10.220 203 1HB ALA 103 1HB ALA 103 3.999 4.689 10.713 204 2HB ALA 103 2HB ALA 103 2.339 4.199 11.051 205 3HB ALA 103 3HB ALA 103 3.679 3.414 11.889 206 H GLU 104 H GLU 104 2.264 3.696 7.772 207 HA GLU 104 HA GLU 104 -0.405 2.696 8.480 208 1HB GLU 104 1HB GLU 104 0.770 4.542 6.487 209 2HB GLU 104 2HB GLU 104 -0.607 3.602 5.899 210 1HG GLU 104 1HG GLU 104 -1.726 5.382 6.864 211 2HG GLU 104 2HG GLU 104 -1.637 4.303 8.252 212 H LEU 105 H LEU 105 2.004 2.142 5.916 213 HA LEU 105 HA LEU 105 0.623 0.085 4.531 214 1HB LEU 105 1HB LEU 105 3.083 1.368 4.324 215 2HB LEU 105 2HB LEU 105 3.499 -0.320 4.628 216 HG LEU 105 HG LEU 105 1.314 -0.277 2.807 217 1HD1 LEU 105 1HD1 LEU 105 2.619 2.103 2.536 218 2HD1 LEU 105 2HD1 LEU 105 3.533 1.089 1.420 219 3HD1 LEU 105 3HD1 LEU 105 1.790 1.277 1.217 220 1HD2 LEU 105 1HD2 LEU 105 3.378 -1.866 3.199 221 2HD2 LEU 105 2HD2 LEU 105 2.740 -1.687 1.563 222 3HD2 LEU 105 3HD2 LEU 105 4.183 -0.803 2.043 223 H ARG 106 H ARG 106 2.823 -0.091 7.330 224 HA ARG 106 HA ARG 106 2.986 -2.915 7.440 225 1HB ARG 106 1HB ARG 106 3.411 -2.557 9.904 226 2HB ARG 106 2HB ARG 106 4.414 -1.558 8.855 227 1HG ARG 106 1HG ARG 106 3.689 0.094 10.252 228 2HG ARG 106 2HG ARG 106 2.325 0.101 9.137 229 1HD ARG 106 1HD ARG 106 1.022 -0.284 10.946 230 2HD ARG 106 2HD ARG 106 1.683 -1.919 10.940 231 HE ARG 106 HE ARG 106 3.529 -0.300 12.336 232 1HH1 ARG 106 1HH1 ARG 106 0.293 0.161 12.785 233 2HH1 ARG 106 2HH1 ARG 106 0.222 -0.449 14.405 234 1HH2 ARG 106 1HH2 ARG 106 3.437 -1.745 14.342 235 2HH2 ARG 106 2HH2 ARG 106 2.000 -1.527 15.285 236 H HIS 107 H HIS 107 0.666 -0.740 9.056 237 HA HIS 107 HA HIS 107 -0.851 -2.731 10.371 238 1HB HIS 107 1HB HIS 107 -1.101 -0.362 10.874 239 2HB HIS 107 2HB HIS 107 -1.735 -0.057 9.257 240 HD1 HIS 107 HD1 HIS 107 -3.000 -0.288 12.482 241 HD2 HIS 107 HD2 HIS 107 -4.078 -2.183 8.930 242 HE1 HIS 107 HE1 HIS 107 -5.380 -1.093 12.795 243 H VAL 108 H VAL 108 -1.588 -1.204 7.206 244 HA VAL 108 HA VAL 108 -3.842 -2.926 6.704 245 HB VAL 108 HB VAL 108 -3.285 -2.207 4.221 246 1HG1 VAL 108 1HG1 VAL 108 -5.118 -1.435 5.829 247 2HG1 VAL 108 2HG1 VAL 108 -4.058 -0.084 6.228 248 3HG1 VAL 108 3HG1 VAL 108 -4.645 -0.286 4.577 249 1HG2 VAL 108 1HG2 VAL 108 -1.019 -1.240 5.443 250 2HG2 VAL 108 2HG2 VAL 108 -1.665 -0.646 3.916 251 3HG2 VAL 108 3HG2 VAL 108 -2.053 0.187 5.420 252 H MET 109 H MET 109 -0.617 -2.997 5.137 253 HA MET 109 HA MET 109 -1.126 -5.444 3.793 254 1HB MET 109 1HB MET 109 1.132 -3.681 4.202 255 2HB MET 109 2HB MET 109 1.635 -5.371 4.255 256 1HG MET 109 1HG MET 109 -0.038 -5.492 2.148 257 2HG MET 109 2HG MET 109 0.474 -3.811 2.002 258 1HE MET 109 1HE MET 109 2.816 -3.617 3.283 259 2HE MET 109 2HE MET 109 3.863 -5.030 3.477 260 3HE MET 109 3HE MET 109 4.157 -3.883 2.172 261 H THR 110 H THR 110 -0.831 -5.043 7.150 262 HA THR 110 HA THR 110 0.541 -7.611 7.591 263 HB THR 110 HB THR 110 -0.227 -7.019 10.021 264 HG1 THR 110 HG1 THR 110 -0.944 -5.057 10.317 265 1HG2 THR 110 1HG2 THR 110 1.910 -5.802 8.342 266 2HG2 THR 110 2HG2 THR 110 1.688 -5.183 9.979 267 3HG2 THR 110 3HG2 THR 110 2.056 -6.889 9.724 268 H ASN 111 H ASN 111 -2.616 -6.409 7.150 269 HA ASN 111 HA ASN 111 -3.823 -8.879 8.303 270 1HB ASN 111 1HB ASN 111 -5.585 -6.691 7.336 271 2HB ASN 111 2HB ASN 111 -5.705 -7.663 8.803 272 1HD2 ASN 111 1HD2 ASN 111 -4.403 -3.989 9.258 273 2HD2 ASN 111 2HD2 ASN 111 -5.468 -4.546 8.060 274 H LEU 112 H LEU 112 -3.897 -6.715 5.480 275 HA LEU 112 HA LEU 112 -5.585 -8.084 3.756 276 1HB LEU 112 1HB LEU 112 -2.977 -6.645 3.289 277 2HB LEU 112 2HB LEU 112 -3.820 -7.407 1.945 278 HG LEU 112 HG LEU 112 -4.271 -4.837 2.824 279 1HD1 LEU 112 1HD1 LEU 112 -5.327 -6.704 0.948 280 2HD1 LEU 112 2HD1 LEU 112 -6.697 -5.876 1.687 281 3HD1 LEU 112 3HD1 LEU 112 -5.425 -4.944 0.900 282 1HD2 LEU 112 1HD2 LEU 112 -5.356 -5.794 4.917 283 2HD2 LEU 112 2HD2 LEU 112 -6.429 -4.779 3.965 284 3HD2 LEU 112 3HD2 LEU 112 -6.577 -6.528 3.883 285 H GLY 113 H GLY 113 -4.932 -9.596 1.906 286 1HA GLY 113 1HA GLY 113 -4.062 -12.080 2.837 287 2HA GLY 113 2HA GLY 113 -3.941 -11.594 1.144 288 H GLU 114 H GLU 114 -2.174 -9.294 1.990 289 HA GLU 114 HA GLU 114 0.344 -10.489 1.481 290 1HB GLU 114 1HB GLU 114 -0.665 -7.842 2.199 291 2HB GLU 114 2HB GLU 114 0.928 -8.164 2.884 292 1HG GLU 114 1HG GLU 114 0.232 -8.632 -0.027 293 2HG GLU 114 2HG GLU 114 0.986 -7.154 0.573 294 H LYS 115 H LYS 115 -0.679 -9.016 4.602 295 HA LYS 115 HA LYS 115 -0.010 -9.526 6.782 296 1HB LYS 115 1HB LYS 115 -0.625 -11.635 7.344 297 2HB LYS 115 2HB LYS 115 -1.004 -11.834 5.638 298 1HG LYS 115 1HG LYS 115 1.176 -12.808 5.206 299 2HG LYS 115 2HG LYS 115 1.705 -12.457 6.851 300 1HD LYS 115 1HD LYS 115 0.849 -14.414 7.548 301 2HD LYS 115 2HD LYS 115 -0.751 -13.912 6.999 302 1HE LYS 115 1HE LYS 115 0.704 -14.575 4.668 303 2HE LYS 115 2HE LYS 115 1.026 -15.862 5.829 304 1HZ LYS 115 1HZ LYS 115 -1.602 -15.494 6.158 305 2HZ LYS 115 2HZ LYS 115 -1.443 -15.143 4.504 306 3HZ LYS 115 3HZ LYS 115 -0.930 -16.644 5.103 307 H LEU 116 H LEU 116 1.932 -8.800 7.494 308 HA LEU 116 HA LEU 116 4.317 -10.330 7.295 309 1HB LEU 116 1HB LEU 116 5.565 -9.243 5.650 310 2HB LEU 116 2HB LEU 116 3.965 -9.259 4.912 311 HG LEU 116 HG LEU 116 5.104 -6.962 6.523 312 1HD1 LEU 116 1HD1 LEU 116 6.095 -7.539 4.177 313 2HD1 LEU 116 2HD1 LEU 116 4.549 -6.957 3.560 314 3HD1 LEU 116 3HD1 LEU 116 5.591 -5.881 4.489 315 1HD2 LEU 116 1HD2 LEU 116 2.624 -7.192 6.577 316 2HD2 LEU 116 2HD2 LEU 116 3.128 -5.749 5.698 317 3HD2 LEU 116 3HD2 LEU 116 2.601 -7.181 4.816 318 H THR 117 H THR 117 5.254 -9.823 9.103 319 HA THR 117 HA THR 117 4.563 -8.016 11.016 320 HB THR 117 HB THR 117 6.379 -9.794 11.153 321 HG1 THR 117 HG1 THR 117 7.635 -8.352 12.630 322 1HG2 THR 117 1HG2 THR 117 7.562 -8.094 9.269 323 2HG2 THR 117 2HG2 THR 117 8.512 -7.884 10.739 324 3HG2 THR 117 3HG2 THR 117 8.307 -9.493 10.043 325 H ASP 118 H ASP 118 5.647 -5.991 11.769 326 HA ASP 118 HA ASP 118 5.478 -3.956 9.786 327 1HB ASP 118 1HB ASP 118 5.181 -3.711 12.303 328 2HB ASP 118 2HB ASP 118 6.942 -3.692 12.412 329 H GLU 119 H GLU 119 8.140 -6.012 10.614 330 HA GLU 119 HA GLU 119 10.156 -4.111 9.651 331 1HB GLU 119 1HB GLU 119 10.258 -7.008 10.511 332 2HB GLU 119 2HB GLU 119 11.661 -6.189 9.823 333 1HG GLU 119 1HG GLU 119 12.023 -4.974 11.708 334 2HG GLU 119 2HG GLU 119 10.302 -4.662 11.945 335 H GLU 120 H GLU 120 8.174 -6.632 8.315 336 HA GLU 120 HA GLU 120 9.813 -6.872 5.882 337 1HB GLU 120 1HB GLU 120 7.042 -7.961 6.455 338 2HB GLU 120 2HB GLU 120 8.112 -8.453 5.142 339 1HG GLU 120 1HG GLU 120 9.492 -8.633 7.679 340 2HG GLU 120 2HG GLU 120 7.991 -9.558 7.730 341 H VAL 121 H VAL 121 7.118 -5.063 7.060 342 HA VAL 121 HA VAL 121 6.296 -4.179 4.363 343 HB VAL 121 HB VAL 121 4.569 -4.580 6.079 344 1HG1 VAL 121 1HG1 VAL 121 6.259 -3.728 7.917 345 2HG1 VAL 121 2HG1 VAL 121 5.540 -2.161 7.570 346 3HG1 VAL 121 3HG1 VAL 121 4.534 -3.490 8.145 347 1HG2 VAL 121 1HG2 VAL 121 4.822 -2.337 4.432 348 2HG2 VAL 121 2HG2 VAL 121 3.337 -2.937 5.172 349 3HG2 VAL 121 3HG2 VAL 121 4.287 -1.693 5.985 350 H ASP 122 H ASP 122 7.717 -2.768 7.317 351 HA ASP 122 HA ASP 122 8.028 -0.135 6.188 352 1HB ASP 122 1HB ASP 122 8.008 -0.498 8.619 353 2HB ASP 122 2HB ASP 122 9.475 -1.471 8.498 354 H GLU 123 H GLU 123 10.040 -3.028 6.267 355 HA GLU 123 HA GLU 123 12.409 -1.683 5.247 356 1HB GLU 123 1HB GLU 123 12.587 -3.770 6.544 357 2HB GLU 123 2HB GLU 123 11.685 -4.629 5.297 358 1HG GLU 123 1HG GLU 123 13.944 -3.130 4.203 359 2HG GLU 123 2HG GLU 123 14.446 -4.341 5.385 360 H MET 124 H MET 124 9.737 -3.540 3.834 361 HA MET 124 HA MET 124 10.895 -3.438 1.150 362 1HB MET 124 1HB MET 124 9.286 -5.231 2.097 363 2HB MET 124 2HB MET 124 8.010 -4.050 1.792 364 1HG MET 124 1HG MET 124 8.046 -4.470 -0.421 365 2HG MET 124 2HG MET 124 9.797 -4.274 -0.487 366 1HE MET 124 1HE MET 124 11.419 -5.734 -0.363 367 2HE MET 124 2HE MET 124 11.352 -7.483 -0.561 368 3HE MET 124 3HE MET 124 10.820 -6.433 -1.873 369 H ILE 125 H ILE 125 9.206 -1.242 3.108 370 HA ILE 125 HA ILE 125 7.630 0.047 1.066 371 HB ILE 125 HB ILE 125 8.000 0.291 3.859 372 1HG1 ILE 125 1HG1 ILE 125 6.230 2.293 2.782 373 2HG1 ILE 125 2HG1 ILE 125 6.087 0.795 1.855 374 1HG2 ILE 125 1HG2 ILE 125 8.695 2.847 2.391 375 2HG2 ILE 125 2HG2 ILE 125 8.063 2.832 4.036 376 3HG2 ILE 125 3HG2 ILE 125 9.605 2.057 3.678 377 1HD1 ILE 125 1HD1 ILE 125 6.295 0.249 4.701 378 2HD1 ILE 125 2HD1 ILE 125 4.936 1.319 4.361 379 3HD1 ILE 125 3HD1 ILE 125 5.047 -0.249 3.563 380 H ARG 126 H ARG 126 10.984 0.028 1.753 381 HA ARG 126 HA ARG 126 11.618 2.637 0.665 382 1HB ARG 126 1HB ARG 126 13.450 0.231 0.616 383 2HB ARG 126 2HB ARG 126 13.890 1.933 0.746 384 1HG ARG 126 1HG ARG 126 12.757 2.015 2.972 385 2HG ARG 126 2HG ARG 126 12.456 0.281 2.849 386 1HD ARG 126 1HD ARG 126 15.145 1.669 2.959 387 2HD ARG 126 2HD ARG 126 14.466 0.555 4.146 388 HE ARG 126 HE ARG 126 14.523 -0.984 1.885 389 1HH1 ARG 126 1HH1 ARG 126 16.611 0.213 0.472 390 2HH1 ARG 126 2HH1 ARG 126 18.073 -0.307 1.241 391 1HH2 ARG 126 1HH2 ARG 126 16.496 -1.298 4.166 392 2HH2 ARG 126 2HH2 ARG 126 18.009 -1.162 3.332 393 H GLU 127 H GLU 127 10.283 -0.084 -0.710 394 HA GLU 127 HA GLU 127 11.590 0.246 -3.345 395 1HB GLU 127 1HB GLU 127 11.318 -2.037 -2.541 396 2HB GLU 127 2HB GLU 127 9.595 -1.763 -2.260 397 1HG GLU 127 1HG GLU 127 9.308 -2.595 -4.353 398 2HG GLU 127 2HG GLU 127 9.893 -1.026 -4.907 399 H ALA 128 H ALA 128 8.463 0.682 -1.714 400 HA ALA 128 HA ALA 128 7.209 1.459 -4.283 401 1HB ALA 128 1HB ALA 128 6.266 0.721 -1.570 402 2HB ALA 128 2HB ALA 128 5.296 1.928 -2.416 403 3HB ALA 128 3HB ALA 128 5.568 0.346 -3.147 404 H ASP 129 H ASP 129 6.812 2.979 -1.101 405 HA ASP 129 HA ASP 129 6.342 5.567 -2.055 406 1HB ASP 129 1HB ASP 129 7.245 6.272 0.264 407 2HB ASP 129 2HB ASP 129 5.869 5.169 0.220 408 H ILE 130 H ILE 130 9.472 4.282 -0.896 409 HA ILE 130 HA ILE 130 11.633 5.195 -1.142 410 HB ILE 130 HB ILE 130 12.274 5.500 -3.487 411 1HG1 ILE 130 1HG1 ILE 130 9.341 5.250 -4.191 412 2HG1 ILE 130 2HG1 ILE 130 10.139 6.815 -4.028 413 1HG2 ILE 130 1HG2 ILE 130 10.745 3.233 -2.477 414 2HG2 ILE 130 2HG2 ILE 130 10.652 3.353 -4.234 415 3HG2 ILE 130 3HG2 ILE 130 12.223 3.245 -3.440 416 1HD1 ILE 130 1HD1 ILE 130 11.551 4.820 -5.709 417 2HD1 ILE 130 2HD1 ILE 130 10.034 5.440 -6.363 418 3HD1 ILE 130 3HD1 ILE 130 11.340 6.554 -5.954 419 H ASP 131 H ASP 131 10.045 7.074 0.048 420 HA ASP 131 HA ASP 131 9.935 9.375 0.468 421 1HB ASP 131 1HB ASP 131 12.416 9.004 -1.121 422 2HB ASP 131 2HB ASP 131 11.780 10.647 -1.042 423 H GLY 132 H GLY 132 11.125 9.968 -2.772 424 1HA GLY 132 1HA GLY 132 10.103 11.214 -4.494 425 2HA GLY 132 2HA GLY 132 8.835 9.997 -4.332 426 H ASP 133 H ASP 133 7.002 11.263 -4.470 427 HA ASP 133 HA ASP 133 6.822 13.746 -2.880 428 1HB ASP 133 1HB ASP 133 4.920 12.396 -4.816 429 2HB ASP 133 2HB ASP 133 4.519 13.869 -3.934 430 H GLY 134 H GLY 134 3.999 11.718 -3.251 431 1HA GLY 134 1HA GLY 134 3.505 11.752 -0.396 432 2HA GLY 134 2HA GLY 134 2.567 10.847 -1.590 433 H GLN 135 H GLN 135 4.096 10.217 1.110 434 HA GLN 135 HA GLN 135 6.181 8.439 0.809 435 1HB GLN 135 1HB GLN 135 3.786 8.429 2.611 436 2HB GLN 135 2HB GLN 135 4.850 7.024 2.613 437 1HG GLN 135 1HG GLN 135 5.711 9.895 3.075 438 2HG GLN 135 2HG GLN 135 5.570 8.649 4.316 439 1HE2 GLN 135 1HE2 GLN 135 9.081 8.929 2.660 440 2HE2 GLN 135 2HE2 GLN 135 7.983 10.181 2.993 441 H VAL 136 H VAL 136 3.289 6.571 1.438 442 HA VAL 136 HA VAL 136 3.839 5.104 -1.111 443 HB VAL 136 HB VAL 136 2.358 3.538 0.832 444 1HG1 VAL 136 1HG1 VAL 136 4.514 3.333 -1.103 445 2HG1 VAL 136 2HG1 VAL 136 4.891 2.432 0.366 446 3HG1 VAL 136 3HG1 VAL 136 3.410 2.084 -0.529 447 1HG2 VAL 136 1HG2 VAL 136 4.862 4.932 1.740 448 2HG2 VAL 136 2HG2 VAL 136 3.425 4.506 2.668 449 3HG2 VAL 136 3HG2 VAL 136 4.596 3.261 2.233 450 H ASN 137 H ASN 137 2.280 5.785 -2.512 451 HA ASN 137 HA ASN 137 -0.424 6.350 -1.524 452 1HB ASN 137 1HB ASN 137 -0.882 6.858 -3.945 453 2HB ASN 137 2HB ASN 137 0.370 7.846 -3.197 454 1HD2 ASN 137 1HD2 ASN 137 1.324 5.428 -6.306 455 2HD2 ASN 137 2HD2 ASN 137 -0.269 5.553 -5.734 456 H TYR 138 H TYR 138 -2.049 5.472 -3.538 457 HA TYR 138 HA TYR 138 -2.347 2.676 -2.848 458 1HB TYR 138 1HB TYR 138 -3.784 4.627 -4.611 459 2HB TYR 138 2HB TYR 138 -4.159 2.908 -4.721 460 HD1 TYR 138 HD1 TYR 138 -2.931 4.314 -1.584 461 HD2 TYR 138 HD2 TYR 138 -6.452 3.279 -3.807 462 HE1 TYR 138 HE1 TYR 138 -4.274 4.515 0.470 463 HE2 TYR 138 HE2 TYR 138 -7.800 3.483 -1.742 464 HH TYR 138 HH TYR 138 -7.804 4.083 0.392 465 H GLU 139 H GLU 139 -2.043 4.210 -6.043 466 HA GLU 139 HA GLU 139 -1.637 1.868 -7.493 467 1HB GLU 139 1HB GLU 139 -1.587 3.356 -9.173 468 2HB GLU 139 2HB GLU 139 -1.522 4.653 -7.982 469 1HG GLU 139 1HG GLU 139 0.870 4.613 -7.959 470 2HG GLU 139 2HG GLU 139 0.904 3.141 -8.925 471 H GLU 140 H GLU 140 0.586 3.564 -5.416 472 HA GLU 140 HA GLU 140 2.853 1.889 -6.357 473 1HB GLU 140 1HB GLU 140 2.624 4.289 -4.538 474 2HB GLU 140 2HB GLU 140 4.089 3.306 -4.573 475 1HG GLU 140 1HG GLU 140 2.939 4.229 -7.178 476 2HG GLU 140 2HG GLU 140 3.819 5.396 -6.190 477 H PHE 141 H PHE 141 0.520 2.139 -3.833 478 HA PHE 141 HA PHE 141 1.985 0.594 -1.848 479 1HB PHE 141 1HB PHE 141 0.244 2.030 -1.046 480 2HB PHE 141 2HB PHE 141 -0.932 1.341 -2.165 481 HD1 PHE 141 HD1 PHE 141 1.591 -0.394 -0.028 482 HD2 PHE 141 HD2 PHE 141 -2.564 0.382 -0.769 483 HE1 PHE 141 HE1 PHE 141 0.971 -2.042 1.703 484 HE2 PHE 141 HE2 PHE 141 -3.184 -1.268 0.964 485 HZ PHE 141 HZ PHE 141 -1.411 -2.490 2.212 486 H VAL 142 H VAL 142 0.053 -0.128 -4.636 487 HA VAL 142 HA VAL 142 -0.633 -2.845 -3.892 488 HB VAL 142 HB VAL 142 -1.951 -1.807 -5.608 489 1HG1 VAL 142 1HG1 VAL 142 0.742 -1.185 -6.800 490 2HG1 VAL 142 2HG1 VAL 142 -0.690 -1.241 -7.827 491 3HG1 VAL 142 3HG1 VAL 142 -0.610 -0.096 -6.488 492 1HG2 VAL 142 1HG2 VAL 142 -1.093 -4.270 -5.888 493 2HG2 VAL 142 2HG2 VAL 142 -1.921 -3.494 -7.238 494 3HG2 VAL 142 3HG2 VAL 142 -0.161 -3.605 -7.229 495 H GLN 143 H GLN 143 2.298 -1.385 -4.565 496 HA GLN 143 HA GLN 143 3.501 -3.603 -6.059 497 1HB GLN 143 1HB GLN 143 4.234 -1.207 -6.310 498 2HB GLN 143 2HB GLN 143 4.874 -1.285 -4.667 499 1HG GLN 143 1HG GLN 143 6.316 -3.191 -5.339 500 2HG GLN 143 2HG GLN 143 5.711 -3.046 -6.989 501 1HE2 GLN 143 1HE2 GLN 143 7.230 0.441 -7.003 502 2HE2 GLN 143 2HE2 GLN 143 5.618 -0.090 -6.962 503 H MET 144 H MET 144 3.098 -2.653 -2.721 504 HA MET 144 HA MET 144 5.212 -4.433 -1.743 505 1HB MET 144 1HB MET 144 2.983 -3.484 0.023 506 2HB MET 144 2HB MET 144 4.693 -3.680 0.394 507 1HG MET 144 1HG MET 144 4.297 -1.701 -1.695 508 2HG MET 144 2HG MET 144 3.391 -1.290 -0.238 509 1HE MET 144 1HE MET 144 6.290 -1.981 -2.080 510 2HE MET 144 2HE MET 144 7.510 -0.902 -1.409 511 3HE MET 144 3HE MET 144 7.467 -2.604 -0.927 512 H MET 145 H MET 145 1.917 -4.665 -2.659 513 HA MET 145 HA MET 145 1.616 -7.248 -1.226 514 1HB MET 145 1HB MET 145 -0.771 -6.812 -2.569 515 2HB MET 145 2HB MET 145 -0.463 -6.419 -0.881 516 1HG MET 145 1HG MET 145 0.412 -4.169 -1.683 517 2HG MET 145 2HG MET 145 -0.234 -4.580 -3.273 518 1HE MET 145 1HE MET 145 -0.716 -3.766 0.307 519 2HE MET 145 2HE MET 145 -2.448 -3.722 0.623 520 3HE MET 145 3HE MET 145 -1.631 -5.272 0.442 521 H THR 146 H THR 146 2.950 -6.308 -3.997 522 HA THR 146 HA THR 146 2.745 -8.896 -5.235 523 HB THR 146 HB THR 146 0.494 -7.859 -5.816 524 HG1 THR 146 HG1 THR 146 2.207 -8.312 -8.025 525 1HG2 THR 146 1HG2 THR 146 2.215 -5.693 -6.530 526 2HG2 THR 146 2HG2 THR 146 1.418 -6.265 -7.996 527 3HG2 THR 146 3HG2 THR 146 0.454 -5.759 -6.609 528 H ALA 147 H ALA 147 4.689 -6.772 -4.439 529 HA ALA 147 HA ALA 147 5.809 -5.359 -6.575 530 1HB ALA 147 1HB ALA 147 6.915 -6.626 -4.107 531 2HB ALA 147 2HB ALA 147 8.063 -6.085 -5.333 532 3HB ALA 147 3HB ALA 147 6.939 -4.935 -4.608 533 H LYS 148 H LYS 148 5.868 -8.812 -5.960 534 HA LYS 148 HA LYS 148 7.726 -9.194 -8.257 535 1HB LYS 148 1HB LYS 148 7.001 -10.783 -5.855 536 2HB LYS 148 2HB LYS 148 7.298 -11.702 -7.331 537 1HG LYS 148 1HG LYS 148 9.521 -11.174 -7.370 538 2HG LYS 148 2HG LYS 148 9.249 -9.548 -6.746 539 1HD LYS 148 1HD LYS 148 8.627 -11.713 -4.839 540 2HD LYS 148 2HD LYS 148 10.331 -11.591 -5.282 541 1HE LYS 148 1HE LYS 148 10.536 -9.427 -4.432 542 2HE LYS 148 2HE LYS 148 8.807 -9.102 -4.567 543 1HZ LYS 148 1HZ LYS 148 9.998 -11.058 -2.679 544 2HZ LYS 148 2HZ LYS 148 9.566 -9.467 -2.264 545 3HZ LYS 148 3HZ LYS 148 8.374 -10.575 -2.753 No H/Q in entry = 545 No H/Q in entry = 545
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