NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573081 | 2m5l | 19059 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 308 HA LYS 308 1.961 -13.762 -3.443 2 HB2 LYS 308 HB2 LYS 308 2.931 -14.744 -0.822 3 HB3 LYS 308 HB3 LYS 308 1.601 -13.591 -0.728 4 HG2 LYS 308 HG2 LYS 308 1.427 -15.836 -2.710 5 HG3 LYS 308 HG3 LYS 308 1.104 -16.175 -1.010 6 HD2 LYS 308 HD2 LYS 308 -0.211 -13.778 -2.218 7 HD3 LYS 308 HD3 LYS 308 -0.835 -15.366 -2.662 8 HE2 LYS 308 HE2 LYS 308 -1.234 -15.933 -0.328 9 HE3 LYS 308 HE3 LYS 308 -0.445 -14.436 0.208 10 HZ1 LYS 308 HZ1 LYS 308 -2.092 -13.230 -1.225 11 HZ2 LYS 308 HZ2 LYS 308 -2.758 -13.988 0.143 12 HZ3 LYS 308 HZ3 LYS 308 -2.933 -14.694 -1.393 13 H PHE 309 H PHE 309 0.917 -11.718 -2.918 14 HA PHE 309 HA PHE 309 2.779 -9.595 -1.898 15 HB2 PHE 309 HB2 PHE 309 2.359 -9.776 -4.433 16 HB3 PHE 309 HB3 PHE 309 0.712 -9.251 -4.083 17 HD1 PHE 309 HD1 PHE 309 4.296 -8.306 -3.594 18 HD2 PHE 309 HD2 PHE 309 0.219 -6.965 -3.760 19 HE1 PHE 309 HE2 PHE 309 5.066 -5.951 -3.491 20 HE2 PHE 309 HE1 PHE 309 0.989 -4.612 -3.661 21 HZ PHE 309 HZ PHE 309 3.412 -4.104 -3.526 22 HA PRO 310 HA PRO 310 -0.990 -9.362 0.654 23 HB2 PRO 310 HB2 PRO 310 0.267 -8.336 2.855 24 HB3 PRO 310 HB3 PRO 310 0.231 -10.071 2.486 25 HG2 PRO 310 HG2 PRO 310 2.414 -8.098 2.094 26 HG3 PRO 310 HG3 PRO 310 2.500 -9.806 2.551 27 HD2 PRO 310 HD2 PRO 310 3.015 -8.838 0.027 28 HD3 PRO 310 HD3 PRO 310 2.528 -10.509 0.386 29 H ARG 311 H ARG 311 -2.264 -7.508 1.149 30 HA ARG 311 HA ARG 311 -1.237 -4.936 0.054 31 HB2 ARG 311 HB2 ARG 311 -3.935 -6.123 0.720 32 HB3 ARG 311 HB3 ARG 311 -3.763 -4.401 0.377 33 HG2 ARG 311 HG2 ARG 311 -2.444 -6.248 -1.541 34 HG3 ARG 311 HG3 ARG 311 -4.207 -6.249 -1.554 35 HD2 ARG 311 HD2 ARG 311 -2.679 -3.641 -1.603 36 HD3 ARG 311 HD3 ARG 311 -3.006 -4.536 -3.099 37 HE ARG 311 HE ARG 311 -5.465 -4.506 -1.823 38 HH11 ARG 311 HH11 ARG 311 -4.628 -1.940 -0.545 39 HH12 ARG 311 HH12 ARG 311 -5.127 -0.763 -1.713 40 HH21 ARG 311 HH21 ARG 311 -5.477 -3.077 -4.284 41 HH22 ARG 311 HH22 ARG 311 -5.610 -1.410 -3.838 42 H ALA 312 H ALA 312 -0.122 -5.661 2.575 43 HA ALA 312 HA ALA 312 -1.620 -4.112 4.624 44 HB1 ALA 312 HB1 ALA 312 0.901 -5.807 4.682 45 HB2 ALA 312 HB2 ALA 312 -0.708 -6.313 5.198 46 HB3 ALA 312 HB3 ALA 312 0.159 -5.072 6.103 47 H MET 313 H MET 313 -1.187 -2.073 3.324 48 HA MET 313 HA MET 313 -0.017 -0.051 3.009 49 HB2 MET 313 HB2 MET 313 0.371 -1.015 5.617 50 HB3 MET 313 HB3 MET 313 1.981 -0.532 5.080 51 HG2 MET 313 HG2 MET 313 1.022 1.669 4.361 52 HG3 MET 313 HG3 MET 313 -0.521 1.182 5.062 53 HE1 MET 313 HE1 MET 313 2.170 3.762 6.854 54 HE2 MET 313 HE2 MET 313 0.417 3.900 6.741 55 HE3 MET 313 HE3 MET 313 1.357 3.502 5.305 56 HA PRO 314 HA PRO 314 3.400 -2.364 0.850 57 HB2 PRO 314 HB2 PRO 314 2.638 -1.707 -1.695 58 HB3 PRO 314 HB3 PRO 314 2.029 -3.136 -0.839 59 HG2 PRO 314 HG2 PRO 314 0.729 -0.507 -1.297 60 HG3 PRO 314 HG3 PRO 314 0.020 -2.127 -1.264 61 HD2 PRO 314 HD2 PRO 314 -0.144 -0.327 0.800 62 HD3 PRO 314 HD3 PRO 314 -0.272 -2.089 0.995 63 H ILE 315 H ILE 315 4.663 -1.212 -1.222 64 HA ILE 315 HA ILE 315 5.662 1.312 -0.124 65 HB ILE 315 HB ILE 315 6.354 0.045 -2.784 66 HG12 ILE 315 HG12 ILE 315 6.475 -1.769 -1.166 67 HG13 ILE 315 HG13 ILE 315 8.114 -1.234 -1.521 68 HG21 ILE 315 HG21 ILE 315 8.580 1.008 -2.278 69 HG22 ILE 315 HG22 ILE 315 7.945 1.659 -0.768 70 HG23 ILE 315 HG23 ILE 315 7.327 2.249 -2.310 71 HD11 ILE 315 HD11 ILE 315 6.543 -0.983 0.987 72 HD12 ILE 315 HD12 ILE 315 7.558 0.395 0.564 73 HD13 ILE 315 HD13 ILE 315 8.278 -1.202 0.764 74 H TRP 316 H TRP 316 4.089 0.338 -3.172 75 HA TRP 316 HA TRP 316 3.895 2.972 -4.278 76 HB2 TRP 316 HB2 TRP 316 2.415 1.905 -5.889 77 HB3 TRP 316 HB3 TRP 316 3.727 0.798 -5.506 78 HD1 TRP 316 HD1 TRP 316 3.151 -1.373 -4.092 79 HE1 TRP 316 HE1 TRP 316 0.919 -2.566 -3.596 80 HE3 TRP 316 HE3 TRP 316 -0.140 2.293 -5.445 81 HZ2 TRP 316 HZ2 TRP 316 -1.887 -2.039 -3.750 82 HZ3 TRP 316 HZ3 TRP 316 -2.582 1.921 -5.262 83 HH2 TRP 316 HH2 TRP 316 -3.459 -0.239 -4.417 84 H ALA 317 H ALA 317 1.805 1.227 -2.034 85 HA ALA 317 HA ALA 317 -0.133 3.514 -2.101 86 HB1 ALA 317 HB1 ALA 317 -0.698 0.980 -0.632 87 HB2 ALA 317 HB2 ALA 317 -0.590 0.864 -2.387 88 HB3 ALA 317 HB3 ALA 317 -1.766 1.948 -1.647 89 H ARG 318 H ARG 318 1.719 4.606 -0.809 90 HA ARG 318 HA ARG 318 1.362 3.995 2.104 91 HB2 ARG 318 HB2 ARG 318 3.567 3.336 0.851 92 HB3 ARG 318 HB3 ARG 318 3.913 5.063 0.914 93 HG2 ARG 318 HG2 ARG 318 4.887 4.292 2.900 94 HG3 ARG 318 HG3 ARG 318 3.303 4.837 3.448 95 HD2 ARG 318 HD2 ARG 318 2.662 2.728 4.015 96 HD3 ARG 318 HD3 ARG 318 3.301 2.045 2.508 97 HE ARG 318 HE ARG 318 4.812 2.391 5.019 98 HH11 ARG 318 HH11 ARG 318 4.949 -0.164 3.578 99 HH12 ARG 318 HH12 ARG 318 6.448 -0.052 2.721 100 HH21 ARG 318 HH21 ARG 318 6.677 3.402 3.048 101 HH22 ARG 318 HH22 ARG 318 7.431 1.981 2.413 102 HA PRO 319 HA PRO 319 0.262 8.332 1.957 103 HB2 PRO 319 HB2 PRO 319 -0.501 8.527 4.573 104 HB3 PRO 319 HB3 PRO 319 -1.529 7.807 3.320 105 HG2 PRO 319 HG2 PRO 319 0.120 6.490 5.403 106 HG3 PRO 319 HG3 PRO 319 -1.435 6.001 4.714 107 HD2 PRO 319 HD2 PRO 319 1.006 4.904 4.039 108 HD3 PRO 319 HD3 PRO 319 -0.454 4.837 3.028 109 H ASP 320 H ASP 320 2.224 6.902 4.549 110 HA ASP 320 HA ASP 320 3.698 9.486 4.875 111 HB2 ASP 320 HB2 ASP 320 3.425 7.009 6.614 112 HB3 ASP 320 HB3 ASP 320 4.389 8.422 7.041 113 H TYR 321 H TYR 321 4.296 7.852 2.583 114 HA TYR 321 HA TYR 321 6.370 5.965 2.851 115 HB2 TYR 321 HB2 TYR 321 5.170 6.489 0.769 116 HB3 TYR 321 HB3 TYR 321 5.905 8.091 0.733 117 HD1 TYR 321 HD1 TYR 321 6.918 4.483 1.003 118 HD2 TYR 321 HD2 TYR 321 7.841 8.388 -0.531 119 HE1 TYR 321 HE1 TYR 321 8.898 3.557 -0.163 120 HE2 TYR 321 HE2 TYR 321 9.822 7.460 -1.700 121 HH TYR 321 HH TYR 321 10.334 4.734 -2.563 122 H ASN 322 H ASN 322 8.397 6.148 3.638 123 HA ASN 322 HA ASN 322 9.536 8.609 4.591 124 HB2 ASN 322 HB2 ASN 322 11.419 7.186 5.149 125 HB3 ASN 322 HB3 ASN 322 9.951 6.245 5.400 126 HD21 ASN 322 HD21 ASN 322 9.556 4.427 3.966 127 HD22 ASN 322 HD22 ASN 322 10.711 3.897 2.842 128 HA PRO 323 HA PRO 323 11.553 10.133 0.982 129 HB2 PRO 323 HB2 PRO 323 13.763 11.325 2.074 130 HB3 PRO 323 HB3 PRO 323 12.128 12.001 2.219 131 HG2 PRO 323 HG2 PRO 323 13.717 10.449 4.196 132 HG3 PRO 323 HG3 PRO 323 12.628 11.822 4.450 133 HD2 PRO 323 HD2 PRO 323 11.943 9.226 4.954 134 HD3 PRO 323 HD3 PRO 323 10.771 10.496 4.542 135 HA PRO 324 HA PRO 324 14.416 6.713 0.342 136 HB2 PRO 324 HB2 PRO 324 14.388 6.836 -2.391 137 HB3 PRO 324 HB3 PRO 324 13.102 6.068 -1.443 138 HG2 PRO 324 HG2 PRO 324 13.153 8.723 -2.763 139 HG3 PRO 324 HG3 PRO 324 11.809 7.591 -2.550 140 HD2 PRO 324 HD2 PRO 324 12.203 9.858 -1.035 141 HD3 PRO 324 HD3 PRO 324 11.252 8.450 -0.520 142 H LEU 325 H LEU 325 16.330 6.643 -1.554 143 HA LEU 325 HA LEU 325 18.184 8.771 -0.771 144 HB2 LEU 325 HB2 LEU 325 18.255 6.306 -2.516 145 HB3 LEU 325 HB3 LEU 325 19.631 7.406 -2.447 146 HG LEU 325 HG LEU 325 18.381 6.327 0.077 147 HD11 LEU 325 HD11 LEU 325 20.524 5.049 -1.647 148 HD12 LEU 325 HD12 LEU 325 18.962 4.355 -1.210 149 HD13 LEU 325 HD13 LEU 325 20.199 4.589 0.026 150 HD21 LEU 325 HD21 LEU 325 20.806 6.687 0.823 151 HD22 LEU 325 HD22 LEU 325 19.886 8.147 0.456 152 HD23 LEU 325 HD23 LEU 325 21.050 7.520 -0.713 153 H LEU 326 H LEU 326 19.511 9.869 -2.567 154 HA LEU 326 HA LEU 326 17.728 11.345 -4.331 155 HB2 LEU 326 HB2 LEU 326 19.844 12.130 -3.117 156 HB3 LEU 326 HB3 LEU 326 20.758 11.258 -4.349 157 HG LEU 326 HG LEU 326 18.900 12.730 -5.819 158 HD11 LEU 326 HD11 LEU 326 18.318 14.050 -3.840 159 HD12 LEU 326 HD12 LEU 326 19.223 15.050 -4.976 160 HD13 LEU 326 HD13 LEU 326 20.022 14.398 -3.546 161 HD21 LEU 326 HD21 LEU 326 21.757 13.472 -5.102 162 HD22 LEU 326 HD22 LEU 326 20.872 14.009 -6.530 163 HD23 LEU 326 HD23 LEU 326 21.295 12.307 -6.344 164 H GLU 327 H GLU 327 16.876 10.102 -5.999 165 HA GLU 327 HA GLU 327 18.561 8.203 -7.504 166 HB2 GLU 327 HB2 GLU 327 15.680 9.135 -7.760 167 HB3 GLU 327 HB3 GLU 327 16.388 7.813 -8.688 168 HG2 GLU 327 HG2 GLU 327 16.798 6.528 -6.683 169 HG3 GLU 327 HG3 GLU 327 16.340 7.887 -5.658 Start of MODEL 2 1 HA LYS 308 HA LYS 308 11.699 -10.340 12.257 2 HB2 LYS 308 HB2 LYS 308 9.937 -12.654 11.615 3 HB3 LYS 308 HB3 LYS 308 11.068 -12.163 10.355 4 HG2 LYS 308 HG2 LYS 308 12.880 -12.189 12.155 5 HG3 LYS 308 HG3 LYS 308 11.709 -13.009 13.187 6 HD2 LYS 308 HD2 LYS 308 12.505 -13.994 10.433 7 HD3 LYS 308 HD3 LYS 308 13.238 -14.572 11.928 8 HE2 LYS 308 HE2 LYS 308 10.247 -14.685 11.399 9 HE3 LYS 308 HE3 LYS 308 11.350 -16.038 11.086 10 HZ1 LYS 308 HZ1 LYS 308 10.750 -14.721 13.671 11 HZ2 LYS 308 HZ2 LYS 308 12.163 -15.640 13.454 12 HZ3 LYS 308 HZ3 LYS 308 10.637 -16.365 13.278 13 H PHE 309 H PHE 309 8.620 -10.841 10.454 14 HA PHE 309 HA PHE 309 9.352 -8.466 8.767 15 HB2 PHE 309 HB2 PHE 309 7.861 -11.035 8.130 16 HB3 PHE 309 HB3 PHE 309 8.019 -9.687 7.006 17 HD1 PHE 309 HD1 PHE 309 10.458 -8.840 6.543 18 HD2 PHE 309 HD2 PHE 309 9.514 -12.698 8.180 19 HE1 PHE 309 HE2 PHE 309 12.684 -9.681 5.845 20 HE2 PHE 309 HE1 PHE 309 11.740 -13.538 7.482 21 HZ PHE 309 HZ PHE 309 13.325 -12.030 6.315 22 HA PRO 310 HA PRO 310 5.545 -7.097 10.787 23 HB2 PRO 310 HB2 PRO 310 5.829 -4.462 10.104 24 HB3 PRO 310 HB3 PRO 310 6.676 -5.203 11.475 25 HG2 PRO 310 HG2 PRO 310 7.683 -4.561 8.752 26 HG3 PRO 310 HG3 PRO 310 8.502 -4.440 10.317 27 HD2 PRO 310 HD2 PRO 310 8.909 -6.476 8.538 28 HD3 PRO 310 HD3 PRO 310 9.149 -6.631 10.292 29 H ARG 311 H ARG 311 3.485 -6.733 9.892 30 HA ARG 311 HA ARG 311 3.341 -6.662 6.906 31 HB2 ARG 311 HB2 ARG 311 2.324 -8.489 8.439 32 HB3 ARG 311 HB3 ARG 311 1.118 -7.273 8.861 33 HG2 ARG 311 HG2 ARG 311 1.536 -7.405 5.980 34 HG3 ARG 311 HG3 ARG 311 1.049 -8.968 6.636 35 HD2 ARG 311 HD2 ARG 311 -0.459 -6.630 7.683 36 HD3 ARG 311 HD3 ARG 311 -0.744 -7.033 5.979 37 HE ARG 311 HE ARG 311 -1.021 -9.022 8.208 38 HH11 ARG 311 HH11 ARG 311 -3.567 -7.942 7.277 39 HH12 ARG 311 HH12 ARG 311 -4.027 -9.016 6.000 40 HH21 ARG 311 HH21 ARG 311 -0.835 -10.342 5.615 41 HH22 ARG 311 HH22 ARG 311 -2.474 -10.381 5.055 42 H ALA 312 H ALA 312 3.053 -4.597 6.143 43 HA ALA 312 HA ALA 312 0.934 -2.904 7.397 44 HB1 ALA 312 HB1 ALA 312 3.282 -2.387 8.244 45 HB2 ALA 312 HB2 ALA 312 2.445 -1.025 7.499 46 HB3 ALA 312 HB3 ALA 312 3.683 -1.900 6.597 47 H MET 313 H MET 313 1.106 -0.700 5.785 48 HA MET 313 HA MET 313 -0.079 -1.496 3.314 49 HB2 MET 313 HB2 MET 313 1.180 1.036 4.382 50 HB3 MET 313 HB3 MET 313 0.480 0.980 2.765 51 HG2 MET 313 HG2 MET 313 -1.525 1.384 3.711 52 HG3 MET 313 HG3 MET 313 -1.438 -0.229 4.417 53 HE1 MET 313 HE1 MET 313 -2.799 0.263 6.599 54 HE2 MET 313 HE2 MET 313 -3.172 1.719 5.678 55 HE3 MET 313 HE3 MET 313 -2.730 1.851 7.379 56 HA PRO 314 HA PRO 314 3.398 -2.368 0.758 57 HB2 PRO 314 HB2 PRO 314 2.493 -1.523 -1.685 58 HB3 PRO 314 HB3 PRO 314 1.918 -3.001 -0.893 59 HG2 PRO 314 HG2 PRO 314 0.638 -0.323 -1.060 60 HG3 PRO 314 HG3 PRO 314 -0.097 -1.931 -1.136 61 HD2 PRO 314 HD2 PRO 314 -0.148 -0.349 1.087 62 HD3 PRO 314 HD3 PRO 314 -0.222 -2.125 1.138 63 H ILE 315 H ILE 315 4.597 -1.125 -1.267 64 HA ILE 315 HA ILE 315 5.567 1.411 -0.095 65 HB ILE 315 HB ILE 315 6.436 -0.122 -2.568 66 HG12 ILE 315 HG12 ILE 315 8.215 -0.422 -0.332 67 HG13 ILE 315 HG13 ILE 315 6.588 -0.872 0.180 68 HG21 ILE 315 HG21 ILE 315 8.664 1.069 -1.633 69 HG22 ILE 315 HG22 ILE 315 7.465 2.237 -1.072 70 HG23 ILE 315 HG23 ILE 315 7.585 1.850 -2.789 71 HD11 ILE 315 HD11 ILE 315 7.718 -2.828 -0.750 72 HD12 ILE 315 HD12 ILE 315 8.062 -1.947 -2.239 73 HD13 ILE 315 HD13 ILE 315 6.397 -2.345 -1.815 74 H TRP 316 H TRP 316 3.943 0.274 -3.031 75 HA TRP 316 HA TRP 316 3.924 2.861 -4.345 76 HB2 TRP 316 HB2 TRP 316 2.580 1.711 -5.991 77 HB3 TRP 316 HB3 TRP 316 3.793 0.570 -5.419 78 HD1 TRP 316 HD1 TRP 316 2.985 -1.499 -4.008 79 HE1 TRP 316 HE1 TRP 316 0.657 -2.518 -3.572 80 HE3 TRP 316 HE3 TRP 316 0.022 2.320 -5.659 81 HZ2 TRP 316 HZ2 TRP 316 -2.098 -1.810 -3.885 82 HZ3 TRP 316 HZ3 TRP 316 -2.446 2.120 -5.580 83 HH2 TRP 316 HH2 TRP 316 -3.508 0.063 -4.695 84 H ALA 317 H ALA 317 1.924 1.380 -1.910 85 HA ALA 317 HA ALA 317 -0.039 3.642 -2.185 86 HB1 ALA 317 HB1 ALA 317 -1.768 2.127 -1.746 87 HB2 ALA 317 HB2 ALA 317 -0.700 0.998 -0.914 88 HB3 ALA 317 HB3 ALA 317 -0.658 1.120 -2.671 89 H ARG 318 H ARG 318 1.818 4.563 -0.706 90 HA ARG 318 HA ARG 318 1.074 4.010 2.139 91 HB2 ARG 318 HB2 ARG 318 3.408 3.208 0.893 92 HB3 ARG 318 HB3 ARG 318 3.880 4.740 1.628 93 HG2 ARG 318 HG2 ARG 318 3.034 3.967 3.808 94 HG3 ARG 318 HG3 ARG 318 2.535 2.441 3.079 95 HD2 ARG 318 HD2 ARG 318 4.616 1.610 3.378 96 HD3 ARG 318 HD3 ARG 318 5.290 2.924 2.394 97 HE ARG 318 HE ARG 318 4.837 4.233 4.730 98 HH11 ARG 318 HH11 ARG 318 5.137 1.010 5.286 99 HH12 ARG 318 HH12 ARG 318 6.651 1.078 6.123 100 HH21 ARG 318 HH21 ARG 318 7.265 4.397 5.286 101 HH22 ARG 318 HH22 ARG 318 7.864 3.002 6.120 102 HA PRO 319 HA PRO 319 0.714 8.443 2.158 103 HB2 PRO 319 HB2 PRO 319 0.686 8.805 4.877 104 HB3 PRO 319 HB3 PRO 319 -0.719 8.215 3.965 105 HG2 PRO 319 HG2 PRO 319 1.279 6.687 5.562 106 HG3 PRO 319 HG3 PRO 319 -0.473 6.467 5.441 107 HD2 PRO 319 HD2 PRO 319 1.297 4.895 4.123 108 HD3 PRO 319 HD3 PRO 319 -0.324 5.264 3.491 109 H ASP 320 H ASP 320 3.092 6.757 4.141 110 HA ASP 320 HA ASP 320 4.957 9.090 3.980 111 HB2 ASP 320 HB2 ASP 320 4.504 6.777 5.842 112 HB3 ASP 320 HB3 ASP 320 6.125 7.465 5.741 113 H TYR 321 H TYR 321 4.559 7.577 1.636 114 HA TYR 321 HA TYR 321 6.158 5.341 1.119 115 HB2 TYR 321 HB2 TYR 321 4.620 6.172 -0.503 116 HB3 TYR 321 HB3 TYR 321 5.356 7.772 -0.494 117 HD1 TYR 321 HD1 TYR 321 6.696 4.270 -0.892 118 HD2 TYR 321 HD2 TYR 321 6.411 8.242 -2.504 119 HE1 TYR 321 HE2 TYR 321 8.172 3.617 -2.772 120 HE2 TYR 321 HE1 TYR 321 7.883 7.584 -4.385 121 HH TYR 321 HH TYR 321 8.435 4.629 -5.336 122 H ASN 322 H ASN 322 8.307 5.026 0.605 123 HA ASN 322 HA ASN 322 10.303 6.807 1.679 124 HB2 ASN 322 HB2 ASN 322 10.538 4.462 -0.242 125 HB3 ASN 322 HB3 ASN 322 11.842 5.117 0.747 126 HD21 ASN 322 HD21 ASN 322 9.125 2.946 0.748 127 HD22 ASN 322 HD22 ASN 322 9.202 2.516 2.388 128 HA PRO 323 HA PRO 323 11.186 9.381 -1.780 129 HB2 PRO 323 HB2 PRO 323 13.909 9.647 -1.618 130 HB3 PRO 323 HB3 PRO 323 12.788 10.438 -0.491 131 HG2 PRO 323 HG2 PRO 323 14.404 7.966 -0.129 132 HG3 PRO 323 HG3 PRO 323 14.040 9.257 1.028 133 HD2 PRO 323 HD2 PRO 323 12.769 6.846 1.018 134 HD3 PRO 323 HD3 PRO 323 12.022 8.347 1.609 135 HA PRO 324 HA PRO 324 12.189 6.320 -4.883 136 HB2 PRO 324 HB2 PRO 324 11.627 7.883 -7.059 137 HB3 PRO 324 HB3 PRO 324 10.374 7.110 -6.071 138 HG2 PRO 324 HG2 PRO 324 11.323 9.927 -6.059 139 HG3 PRO 324 HG3 PRO 324 9.685 9.286 -5.858 140 HD2 PRO 324 HD2 PRO 324 11.249 10.150 -3.787 141 HD3 PRO 324 HD3 PRO 324 9.959 8.939 -3.617 142 H LEU 325 H LEU 325 13.443 6.681 -7.201 143 HA LEU 325 HA LEU 325 15.543 7.066 -8.198 144 HB2 LEU 325 HB2 LEU 325 14.444 9.408 -7.856 145 HB3 LEU 325 HB3 LEU 325 15.625 9.601 -6.561 146 HG LEU 325 HG LEU 325 17.261 8.700 -8.513 147 HD11 LEU 325 HD11 LEU 325 15.568 8.532 -10.229 148 HD12 LEU 325 HD12 LEU 325 16.582 9.922 -10.615 149 HD13 LEU 325 HD13 LEU 325 14.992 10.165 -9.889 150 HD21 LEU 325 HD21 LEU 325 16.312 11.555 -8.111 151 HD22 LEU 325 HD22 LEU 325 17.806 11.100 -8.933 152 HD23 LEU 325 HD23 LEU 325 17.600 10.747 -7.217 153 H LEU 326 H LEU 326 16.058 5.237 -6.479 154 HA LEU 326 HA LEU 326 18.412 6.178 -4.888 155 HB2 LEU 326 HB2 LEU 326 17.634 4.748 -3.026 156 HB3 LEU 326 HB3 LEU 326 16.423 5.963 -3.429 157 HG LEU 326 HG LEU 326 16.138 3.451 -4.946 158 HD11 LEU 326 HD11 LEU 326 16.949 2.692 -2.654 159 HD12 LEU 326 HD12 LEU 326 15.362 2.090 -3.131 160 HD13 LEU 326 HD13 LEU 326 15.491 3.428 -1.989 161 HD21 LEU 326 HD21 LEU 326 13.804 3.836 -4.486 162 HD22 LEU 326 HD22 LEU 326 14.522 5.410 -4.823 163 HD23 LEU 326 HD23 LEU 326 14.187 4.932 -3.159 164 H GLU 327 H GLU 327 18.310 4.844 -7.497 165 HA GLU 327 HA GLU 327 19.592 2.226 -6.775 166 HB2 GLU 327 HB2 GLU 327 17.226 2.569 -8.094 167 HB3 GLU 327 HB3 GLU 327 18.353 2.568 -9.451 168 HG2 GLU 327 HG2 GLU 327 18.594 0.458 -7.323 169 HG3 GLU 327 HG3 GLU 327 17.374 0.288 -8.585 Start of MODEL 3 1 HA LYS 308 HA LYS 308 6.012 -10.315 11.216 2 HB2 LYS 308 HB2 LYS 308 6.170 -13.087 12.366 3 HB3 LYS 308 HB3 LYS 308 7.006 -12.752 10.851 4 HG2 LYS 308 HG2 LYS 308 8.457 -11.212 11.832 5 HG3 LYS 308 HG3 LYS 308 7.351 -10.863 13.160 6 HD2 LYS 308 HD2 LYS 308 8.879 -12.195 14.273 7 HD3 LYS 308 HD3 LYS 308 7.759 -13.437 13.711 8 HE2 LYS 308 HE2 LYS 308 9.260 -13.559 11.594 9 HE3 LYS 308 HE3 LYS 308 10.461 -12.697 12.575 10 HZ1 LYS 308 HZ1 LYS 308 10.644 -15.125 12.812 11 HZ2 LYS 308 HZ2 LYS 308 9.055 -15.184 13.408 12 HZ3 LYS 308 HZ3 LYS 308 10.266 -14.371 14.282 13 H PHE 309 H PHE 309 3.962 -9.901 9.929 14 HA PHE 309 HA PHE 309 3.729 -11.862 7.749 15 HB2 PHE 309 HB2 PHE 309 1.247 -12.072 8.098 16 HB3 PHE 309 HB3 PHE 309 2.188 -12.779 9.407 17 HD1 PHE 309 HD1 PHE 309 0.202 -9.795 8.397 18 HD2 PHE 309 HD2 PHE 309 2.062 -11.920 11.636 19 HE1 PHE 309 HE2 PHE 309 -0.953 -8.326 10.026 20 HE2 PHE 309 HE1 PHE 309 0.905 -10.450 13.264 21 HZ PHE 309 HZ PHE 309 -0.603 -8.653 12.459 22 HA PRO 310 HA PRO 310 2.801 -8.236 5.442 23 HB2 PRO 310 HB2 PRO 310 1.012 -9.150 3.579 24 HB3 PRO 310 HB3 PRO 310 2.741 -9.546 3.536 25 HG2 PRO 310 HG2 PRO 310 0.453 -11.177 4.521 26 HG3 PRO 310 HG3 PRO 310 1.878 -11.677 3.598 27 HD2 PRO 310 HD2 PRO 310 1.629 -12.075 6.272 28 HD3 PRO 310 HD3 PRO 310 3.196 -11.838 5.466 29 H ARG 311 H ARG 311 1.434 -6.493 5.778 30 HA ARG 311 HA ARG 311 -1.431 -7.015 6.461 31 HB2 ARG 311 HB2 ARG 311 -1.080 -5.299 8.332 32 HB3 ARG 311 HB3 ARG 311 -0.318 -6.869 8.580 33 HG2 ARG 311 HG2 ARG 311 1.836 -6.039 8.048 34 HG3 ARG 311 HG3 ARG 311 1.181 -4.587 7.290 35 HD2 ARG 311 HD2 ARG 311 0.169 -4.437 9.873 36 HD3 ARG 311 HD3 ARG 311 1.806 -5.077 10.112 37 HE ARG 311 HE ARG 311 1.140 -2.475 8.852 38 HH11 ARG 311 HH11 ARG 311 3.076 -2.649 11.097 39 HH12 ARG 311 HH12 ARG 311 4.606 -2.604 10.289 40 HH21 ARG 311 HH21 ARG 311 3.275 -3.388 7.173 41 HH22 ARG 311 HH22 ARG 311 4.718 -3.024 8.057 42 H ALA 312 H ALA 312 -0.931 -6.135 3.984 43 HA ALA 312 HA ALA 312 -1.353 -4.393 2.453 44 HB1 ALA 312 HB1 ALA 312 -3.114 -2.990 3.124 45 HB2 ALA 312 HB2 ALA 312 -2.505 -2.853 4.773 46 HB3 ALA 312 HB3 ALA 312 -3.281 -4.343 4.239 47 H MET 313 H MET 313 -1.395 -1.547 2.995 48 HA MET 313 HA MET 313 0.112 0.263 3.068 49 HB2 MET 313 HB2 MET 313 0.183 -1.213 5.474 50 HB3 MET 313 HB3 MET 313 1.866 -0.850 5.098 51 HG2 MET 313 HG2 MET 313 1.480 1.190 5.989 52 HG3 MET 313 HG3 MET 313 0.551 1.533 4.530 53 HE1 MET 313 HE1 MET 313 -1.590 1.283 4.108 54 HE2 MET 313 HE2 MET 313 -2.921 1.506 5.239 55 HE3 MET 313 HE3 MET 313 -2.362 -0.120 4.859 56 HA PRO 314 HA PRO 314 3.350 -2.326 0.866 57 HB2 PRO 314 HB2 PRO 314 2.641 -1.736 -1.707 58 HB3 PRO 314 HB3 PRO 314 1.974 -3.114 -0.814 59 HG2 PRO 314 HG2 PRO 314 0.758 -0.481 -1.414 60 HG3 PRO 314 HG3 PRO 314 -0.001 -2.072 -1.281 61 HD2 PRO 314 HD2 PRO 314 -0.073 -0.114 0.668 62 HD3 PRO 314 HD3 PRO 314 -0.352 -1.845 0.949 63 H ILE 315 H ILE 315 4.679 -1.265 -1.213 64 HA ILE 315 HA ILE 315 5.740 1.250 -0.180 65 HB ILE 315 HB ILE 315 6.308 -0.221 -2.774 66 HG12 ILE 315 HG12 ILE 315 6.606 -1.791 -0.958 67 HG13 ILE 315 HG13 ILE 315 8.206 -1.231 -1.439 68 HG21 ILE 315 HG21 ILE 315 7.934 1.737 -1.124 69 HG22 ILE 315 HG22 ILE 315 7.246 2.032 -2.721 70 HG23 ILE 315 HG23 ILE 315 8.545 0.856 -2.524 71 HD11 ILE 315 HD11 ILE 315 8.228 -1.105 0.927 72 HD12 ILE 315 HD12 ILE 315 6.598 -0.434 0.989 73 HD13 ILE 315 HD13 ILE 315 7.938 0.554 0.406 74 H TRP 316 H TRP 316 4.034 0.296 -3.149 75 HA TRP 316 HA TRP 316 3.903 2.945 -4.268 76 HB2 TRP 316 HB2 TRP 316 2.356 1.887 -5.856 77 HB3 TRP 316 HB3 TRP 316 3.725 0.826 -5.546 78 HD1 TRP 316 HD1 TRP 316 3.291 -1.400 -4.174 79 HE1 TRP 316 HE1 TRP 316 1.129 -2.691 -3.611 80 HE3 TRP 316 HE3 TRP 316 -0.191 2.173 -5.280 81 HZ2 TRP 316 HZ2 TRP 316 -1.700 -2.265 -3.625 82 HZ3 TRP 316 HZ3 TRP 316 -2.607 1.703 -4.997 83 HH2 TRP 316 HH2 TRP 316 -3.365 -0.507 -4.170 84 H ALA 317 H ALA 317 1.839 1.216 -2.000 85 HA ALA 317 HA ALA 317 -0.118 3.488 -2.063 86 HB1 ALA 317 HB1 ALA 317 -0.836 1.119 -0.502 87 HB2 ALA 317 HB2 ALA 317 -0.422 0.711 -2.166 88 HB3 ALA 317 HB3 ALA 317 -1.702 1.877 -1.838 89 H ARG 318 H ARG 318 1.629 4.669 -0.782 90 HA ARG 318 HA ARG 318 1.413 4.005 2.134 91 HB2 ARG 318 HB2 ARG 318 3.690 4.178 0.341 92 HB3 ARG 318 HB3 ARG 318 3.845 5.344 1.654 93 HG2 ARG 318 HG2 ARG 318 3.713 3.660 3.317 94 HG3 ARG 318 HG3 ARG 318 3.091 2.468 2.174 95 HD2 ARG 318 HD2 ARG 318 5.292 2.627 0.932 96 HD3 ARG 318 HD3 ARG 318 5.900 3.616 2.273 97 HE ARG 318 HE ARG 318 4.966 0.785 2.549 98 HH11 ARG 318 HH11 ARG 318 4.770 2.553 5.006 99 HH12 ARG 318 HH12 ARG 318 6.282 2.231 5.789 100 HH21 ARG 318 HH21 ARG 318 7.731 0.809 2.963 101 HH22 ARG 318 HH22 ARG 318 7.967 1.237 4.624 102 HA PRO 319 HA PRO 319 0.033 8.232 2.344 103 HB2 PRO 319 HB2 PRO 319 0.175 8.516 5.066 104 HB3 PRO 319 HB3 PRO 319 -1.131 7.630 4.253 105 HG2 PRO 319 HG2 PRO 319 1.296 6.585 5.623 106 HG3 PRO 319 HG3 PRO 319 -0.358 5.951 5.615 107 HD2 PRO 319 HD2 PRO 319 1.654 4.908 4.106 108 HD3 PRO 319 HD3 PRO 319 -0.060 4.836 3.639 109 H ASP 320 H ASP 320 2.852 7.165 4.217 110 HA ASP 320 HA ASP 320 4.145 9.839 3.834 111 HB2 ASP 320 HB2 ASP 320 4.626 7.532 5.756 112 HB3 ASP 320 HB3 ASP 320 5.615 8.991 5.704 113 H TYR 321 H TYR 321 3.985 7.985 1.649 114 HA TYR 321 HA TYR 321 6.186 6.227 1.336 115 HB2 TYR 321 HB2 TYR 321 4.154 6.371 -0.090 116 HB3 TYR 321 HB3 TYR 321 4.721 7.918 -0.716 117 HD1 TYR 321 HD1 TYR 321 6.874 4.985 0.074 118 HD2 TYR 321 HD2 TYR 321 5.028 7.333 -3.017 119 HE1 TYR 321 HE1 TYR 321 8.230 3.808 -1.630 120 HE2 TYR 321 HE2 TYR 321 6.387 6.152 -4.720 121 HH TYR 321 HH TYR 321 7.674 3.445 -4.483 122 H ASN 322 H ASN 322 8.319 6.606 1.016 123 HA ASN 322 HA ASN 322 9.399 9.318 0.970 124 HB2 ASN 322 HB2 ASN 322 10.624 6.557 0.622 125 HB3 ASN 322 HB3 ASN 322 11.556 8.039 0.823 126 HD21 ASN 322 HD21 ASN 322 9.943 5.521 2.536 127 HD22 ASN 322 HD22 ASN 322 10.022 6.220 4.080 128 HA PRO 323 HA PRO 323 9.605 9.840 -3.399 129 HB2 PRO 323 HB2 PRO 323 11.895 11.323 -3.652 130 HB3 PRO 323 HB3 PRO 323 10.376 11.985 -3.016 131 HG2 PRO 323 HG2 PRO 323 12.791 11.048 -1.550 132 HG3 PRO 323 HG3 PRO 323 11.746 12.440 -1.228 133 HD2 PRO 323 HD2 PRO 323 11.599 10.109 0.167 134 HD3 PRO 323 HD3 PRO 323 10.207 11.186 -0.083 135 HA PRO 324 HA PRO 324 12.393 6.404 -4.291 136 HB2 PRO 324 HB2 PRO 324 11.224 5.721 -6.670 137 HB3 PRO 324 HB3 PRO 324 10.566 5.240 -5.096 138 HG2 PRO 324 HG2 PRO 324 9.694 7.405 -6.929 139 HG3 PRO 324 HG3 PRO 324 8.729 6.350 -5.886 140 HD2 PRO 324 HD2 PRO 324 9.361 8.957 -5.295 141 HD3 PRO 324 HD3 PRO 324 8.946 7.725 -4.086 142 H LEU 325 H LEU 325 13.363 5.818 -6.729 143 HA LEU 325 HA LEU 325 14.127 8.308 -8.160 144 HB2 LEU 325 HB2 LEU 325 15.608 7.517 -6.044 145 HB3 LEU 325 HB3 LEU 325 16.355 6.524 -7.294 146 HG LEU 325 HG LEU 325 16.034 9.083 -8.442 147 HD11 LEU 325 HD11 LEU 325 17.408 9.310 -5.755 148 HD12 LEU 325 HD12 LEU 325 15.734 9.803 -6.009 149 HD13 LEU 325 HD13 LEU 325 17.033 10.605 -6.892 150 HD21 LEU 325 HD21 LEU 325 17.864 7.438 -8.827 151 HD22 LEU 325 HD22 LEU 325 18.500 7.795 -7.222 152 HD23 LEU 325 HD23 LEU 325 18.489 9.046 -8.465 153 H LEU 326 H LEU 326 12.556 6.134 -9.104 154 HA LEU 326 HA LEU 326 14.244 5.194 -11.345 155 HB2 LEU 326 HB2 LEU 326 14.397 3.620 -9.297 156 HB3 LEU 326 HB3 LEU 326 12.720 3.203 -9.653 157 HG LEU 326 HG LEU 326 13.592 2.802 -12.084 158 HD11 LEU 326 HD11 LEU 326 15.824 3.751 -11.751 159 HD12 LEU 326 HD12 LEU 326 15.960 2.030 -12.112 160 HD13 LEU 326 HD13 LEU 326 16.142 2.602 -10.453 161 HD21 LEU 326 HD21 LEU 326 14.323 0.951 -9.791 162 HD22 LEU 326 HD22 LEU 326 14.177 0.467 -11.481 163 HD23 LEU 326 HD23 LEU 326 12.757 1.027 -10.598 164 H GLU 327 H GLU 327 13.006 4.978 -13.199 165 HA GLU 327 HA GLU 327 10.060 5.410 -12.933 166 HB2 GLU 327 HB2 GLU 327 12.118 5.839 -15.114 167 HB3 GLU 327 HB3 GLU 327 10.387 5.977 -15.420 168 HG2 GLU 327 HG2 GLU 327 10.173 7.901 -14.167 169 HG3 GLU 327 HG3 GLU 327 11.483 7.459 -13.071 Start of MODEL 4 1 HA LYS 308 HA LYS 308 14.388 -3.480 7.331 2 HB2 LYS 308 HB2 LYS 308 15.531 -2.643 9.381 3 HB3 LYS 308 HB3 LYS 308 16.493 -2.358 7.932 4 HG2 LYS 308 HG2 LYS 308 16.433 -0.120 8.234 5 HG3 LYS 308 HG3 LYS 308 14.685 -0.131 8.461 6 HD2 LYS 308 HD2 LYS 308 14.997 0.236 10.657 7 HD3 LYS 308 HD3 LYS 308 15.807 -1.326 10.775 8 HE2 LYS 308 HE2 LYS 308 17.934 -0.147 9.975 9 HE3 LYS 308 HE3 LYS 308 17.073 1.379 10.252 10 HZ1 LYS 308 HZ1 LYS 308 16.700 0.813 12.509 11 HZ2 LYS 308 HZ2 LYS 308 18.348 0.522 12.217 12 HZ3 LYS 308 HZ3 LYS 308 17.254 -0.776 12.287 13 H PHE 309 H PHE 309 12.816 -3.962 8.911 14 HA PHE 309 HA PHE 309 10.791 -3.730 10.092 15 HB2 PHE 309 HB2 PHE 309 12.570 -1.679 10.817 16 HB3 PHE 309 HB3 PHE 309 11.023 -0.867 10.579 17 HD1 PHE 309 HD1 PHE 309 8.954 -1.825 11.744 18 HD2 PHE 309 HD2 PHE 309 12.966 -2.997 12.741 19 HE1 PHE 309 HE1 PHE 309 8.158 -2.708 13.920 20 HE2 PHE 309 HE2 PHE 309 12.168 -3.879 14.916 21 HZ PHE 309 HZ PHE 309 9.764 -3.734 15.506 22 HA PRO 310 HA PRO 310 8.743 -1.879 6.394 23 HB2 PRO 310 HB2 PRO 310 7.038 -3.979 5.971 24 HB3 PRO 310 HB3 PRO 310 8.686 -3.923 5.314 25 HG2 PRO 310 HG2 PRO 310 7.643 -5.382 7.687 26 HG3 PRO 310 HG3 PRO 310 8.855 -5.880 6.496 27 HD2 PRO 310 HD2 PRO 310 9.466 -4.956 8.997 28 HD3 PRO 310 HD3 PRO 310 10.557 -4.829 7.600 29 H ARG 311 H ARG 311 6.582 -0.986 6.310 30 HA ARG 311 HA ARG 311 5.211 -0.912 8.950 31 HB2 ARG 311 HB2 ARG 311 5.467 0.792 6.519 32 HB3 ARG 311 HB3 ARG 311 3.935 0.900 7.386 33 HG2 ARG 311 HG2 ARG 311 5.006 2.380 8.730 34 HG3 ARG 311 HG3 ARG 311 5.767 0.959 9.446 35 HD2 ARG 311 HD2 ARG 311 7.617 1.155 7.753 36 HD3 ARG 311 HD3 ARG 311 6.889 2.679 7.207 37 HE ARG 311 HE ARG 311 7.102 3.401 9.680 38 HH11 ARG 311 HH11 ARG 311 9.693 3.656 8.228 39 HH12 ARG 311 HH12 ARG 311 10.787 2.790 9.253 40 HH21 ARG 311 HH21 ARG 311 8.270 1.153 11.003 41 HH22 ARG 311 HH22 ARG 311 9.978 1.372 10.832 42 H ALA 312 H ALA 312 2.619 -0.464 8.392 43 HA ALA 312 HA ALA 312 1.690 -3.048 7.290 44 HB1 ALA 312 HB1 ALA 312 -0.471 -2.245 8.275 45 HB2 ALA 312 HB2 ALA 312 0.323 -0.726 8.690 46 HB3 ALA 312 HB3 ALA 312 0.856 -2.232 9.437 47 H MET 313 H MET 313 2.738 -1.150 5.331 48 HA MET 313 HA MET 313 0.325 -0.884 3.611 49 HB2 MET 313 HB2 MET 313 2.088 1.291 4.692 50 HB3 MET 313 HB3 MET 313 1.464 1.468 3.054 51 HG2 MET 313 HG2 MET 313 -0.304 0.847 5.432 52 HG3 MET 313 HG3 MET 313 0.011 2.487 4.868 53 HE1 MET 313 HE1 MET 313 -3.526 0.498 3.884 54 HE2 MET 313 HE2 MET 313 -2.555 0.826 5.317 55 HE3 MET 313 HE3 MET 313 -2.280 -0.650 4.395 56 HA PRO 314 HA PRO 314 3.204 -2.334 0.603 57 HB2 PRO 314 HB2 PRO 314 2.121 -1.303 -1.692 58 HB3 PRO 314 HB3 PRO 314 1.430 -2.685 -0.822 59 HG2 PRO 314 HG2 PRO 314 0.608 0.174 -0.792 60 HG3 PRO 314 HG3 PRO 314 -0.396 -1.284 -0.792 61 HD2 PRO 314 HD2 PRO 314 0.090 0.185 1.441 62 HD3 PRO 314 HD3 PRO 314 -0.216 -1.565 1.477 63 H ILE 315 H ILE 315 4.594 -1.464 -1.284 64 HA ILE 315 HA ILE 315 5.962 0.966 -0.384 65 HB ILE 315 HB ILE 315 6.922 -1.251 -1.294 66 HG12 ILE 315 HG12 ILE 315 8.849 -0.119 -2.277 67 HG13 ILE 315 HG13 ILE 315 7.886 1.329 -2.570 68 HG21 ILE 315 HG21 ILE 315 7.070 -1.540 -3.654 69 HG22 ILE 315 HG22 ILE 315 6.453 0.082 -3.966 70 HG23 ILE 315 HG23 ILE 315 5.377 -1.162 -3.332 71 HD11 ILE 315 HD11 ILE 315 9.368 1.321 -0.465 72 HD12 ILE 315 HD12 ILE 315 8.203 0.176 0.201 73 HD13 ILE 315 HD13 ILE 315 7.684 1.798 -0.257 74 H TRP 316 H TRP 316 3.483 0.308 -2.650 75 HA TRP 316 HA TRP 316 4.019 2.839 -4.144 76 HB2 TRP 316 HB2 TRP 316 2.532 1.801 -5.849 77 HB3 TRP 316 HB3 TRP 316 3.901 0.762 -5.457 78 HD1 TRP 316 HD1 TRP 316 3.432 -1.479 -4.156 79 HE1 TRP 316 HE1 TRP 316 1.260 -2.777 -3.633 80 HE3 TRP 316 HE3 TRP 316 -0.030 2.095 -5.298 81 HZ2 TRP 316 HZ2 TRP 316 -1.572 -2.345 -3.687 82 HZ3 TRP 316 HZ3 TRP 316 -2.450 1.633 -5.050 83 HH2 TRP 316 HH2 TRP 316 -3.224 -0.577 -4.245 84 H ALA 317 H ALA 317 1.974 1.496 -1.746 85 HA ALA 317 HA ALA 317 0.009 3.725 -2.155 86 HB1 ALA 317 HB1 ALA 317 -1.604 2.158 -2.323 87 HB2 ALA 317 HB2 ALA 317 -1.131 1.474 -0.769 88 HB3 ALA 317 HB3 ALA 317 -0.363 0.907 -2.251 89 H ARG 318 H ARG 318 1.666 4.759 -0.613 90 HA ARG 318 HA ARG 318 1.025 4.033 2.230 91 HB2 ARG 318 HB2 ARG 318 3.546 4.431 0.739 92 HB3 ARG 318 HB3 ARG 318 3.477 5.293 2.275 93 HG2 ARG 318 HG2 ARG 318 3.097 3.280 3.499 94 HG3 ARG 318 HG3 ARG 318 2.764 2.364 2.028 95 HD2 ARG 318 HD2 ARG 318 5.034 2.338 1.378 96 HD3 ARG 318 HD3 ARG 318 5.443 3.707 2.429 97 HE ARG 318 HE ARG 318 4.517 1.821 4.214 98 HH11 ARG 318 HH11 ARG 318 7.473 2.680 3.348 99 HH12 ARG 318 HH12 ARG 318 8.208 1.112 3.347 100 HH21 ARG 318 HH21 ARG 318 5.176 -0.595 3.474 101 HH22 ARG 318 HH22 ARG 318 6.900 -0.750 3.413 102 HA PRO 319 HA PRO 319 -0.147 8.263 2.765 103 HB2 PRO 319 HB2 PRO 319 0.866 8.830 5.252 104 HB3 PRO 319 HB3 PRO 319 -0.572 7.819 5.001 105 HG2 PRO 319 HG2 PRO 319 2.253 7.000 5.513 106 HG3 PRO 319 HG3 PRO 319 0.750 6.334 6.173 107 HD2 PRO 319 HD2 PRO 319 2.101 5.135 4.169 108 HD3 PRO 319 HD3 PRO 319 0.328 5.067 4.296 109 H ASP 320 H ASP 320 3.192 7.442 3.552 110 HA ASP 320 HA ASP 320 4.122 10.118 2.584 111 HB2 ASP 320 HB2 ASP 320 4.595 8.980 4.953 112 HB3 ASP 320 HB3 ASP 320 5.842 8.129 4.039 113 H TYR 321 H TYR 321 3.292 8.109 0.725 114 HA TYR 321 HA TYR 321 4.937 6.222 -0.340 115 HB2 TYR 321 HB2 TYR 321 2.840 6.946 -1.339 116 HB3 TYR 321 HB3 TYR 321 3.540 8.507 -1.764 117 HD1 TYR 321 HD1 TYR 321 4.683 4.940 -2.114 118 HD2 TYR 321 HD2 TYR 321 3.900 8.691 -4.056 119 HE1 TYR 321 HE1 TYR 321 5.489 3.999 -4.260 120 HE2 TYR 321 HE2 TYR 321 4.706 7.747 -6.203 121 HH TYR 321 HH TYR 321 4.890 4.743 -6.929 122 H ASN 322 H ASN 322 7.078 6.153 -0.734 123 HA ASN 322 HA ASN 322 8.827 8.422 -0.803 124 HB2 ASN 322 HB2 ASN 322 10.508 6.756 -1.364 125 HB3 ASN 322 HB3 ASN 322 9.378 6.030 -0.223 126 HD21 ASN 322 HD21 ASN 322 8.048 4.267 -0.979 127 HD22 ASN 322 HD22 ASN 322 8.223 3.590 -2.525 128 HA PRO 323 HA PRO 323 8.494 9.722 -5.000 129 HB2 PRO 323 HB2 PRO 323 10.996 10.752 -5.405 130 HB3 PRO 323 HB3 PRO 323 9.769 11.558 -4.407 131 HG2 PRO 323 HG2 PRO 323 12.113 9.931 -3.576 132 HG3 PRO 323 HG3 PRO 323 11.419 11.377 -2.829 133 HD2 PRO 323 HD2 PRO 323 11.017 8.830 -1.905 134 HD3 PRO 323 HD3 PRO 323 9.894 10.179 -1.628 135 HA PRO 324 HA PRO 324 10.310 6.071 -6.923 136 HB2 PRO 324 HB2 PRO 324 8.725 6.117 -9.151 137 HB3 PRO 324 HB3 PRO 324 8.185 5.472 -7.590 138 HG2 PRO 324 HG2 PRO 324 7.581 8.078 -8.872 139 HG3 PRO 324 HG3 PRO 324 6.557 7.052 -7.858 140 HD2 PRO 324 HD2 PRO 324 7.846 9.327 -6.991 141 HD3 PRO 324 HD3 PRO 324 7.303 8.007 -5.934 142 H LEU 325 H LEU 325 11.007 5.724 -9.386 143 HA LEU 325 HA LEU 325 12.207 8.271 -10.433 144 HB2 LEU 325 HB2 LEU 325 13.418 5.590 -9.776 145 HB3 LEU 325 HB3 LEU 325 14.160 6.613 -11.006 146 HG LEU 325 HG LEU 325 13.654 8.373 -8.903 147 HD11 LEU 325 HD11 LEU 325 14.710 7.246 -6.953 148 HD12 LEU 325 HD12 LEU 325 14.697 5.726 -7.846 149 HD13 LEU 325 HD13 LEU 325 13.176 6.498 -7.399 150 HD21 LEU 325 HD21 LEU 325 15.649 8.442 -10.265 151 HD22 LEU 325 HD22 LEU 325 16.146 6.844 -9.710 152 HD23 LEU 325 HD23 LEU 325 16.162 8.210 -8.595 153 H LEU 326 H LEU 326 12.146 8.475 -12.670 154 HA LEU 326 HA LEU 326 11.568 8.021 -14.907 155 HB2 LEU 326 HB2 LEU 326 13.212 6.095 -14.180 156 HB3 LEU 326 HB3 LEU 326 11.766 5.089 -14.249 157 HG LEU 326 HG LEU 326 11.484 6.369 -16.596 158 HD11 LEU 326 HD11 LEU 326 13.519 7.706 -16.351 159 HD12 LEU 326 HD12 LEU 326 13.732 6.545 -17.661 160 HD13 LEU 326 HD13 LEU 326 14.475 6.247 -16.089 161 HD21 LEU 326 HD21 LEU 326 13.233 3.959 -16.013 162 HD22 LEU 326 HD22 LEU 326 12.666 4.394 -17.626 163 HD23 LEU 326 HD23 LEU 326 11.507 3.954 -16.371 164 H GLU 327 H GLU 327 9.362 8.756 -14.527 165 HA GLU 327 HA GLU 327 7.334 6.613 -14.036 166 HB2 GLU 327 HB2 GLU 327 7.564 9.558 -13.632 167 HB3 GLU 327 HB3 GLU 327 5.958 8.941 -14.018 168 HG2 GLU 327 HG2 GLU 327 5.864 8.620 -11.751 169 HG3 GLU 327 HG3 GLU 327 6.695 7.120 -12.161 Start of MODEL 5 1 HA LYS 308 HA LYS 308 11.383 -6.012 10.810 2 HB2 LYS 308 HB2 LYS 308 11.277 -7.613 12.753 3 HB3 LYS 308 HB3 LYS 308 9.577 -7.890 12.371 4 HG2 LYS 308 HG2 LYS 308 10.121 -8.807 10.219 5 HG3 LYS 308 HG3 LYS 308 11.803 -8.295 10.359 6 HD2 LYS 308 HD2 LYS 308 12.027 -9.804 12.358 7 HD3 LYS 308 HD3 LYS 308 10.403 -10.405 12.023 8 HE2 LYS 308 HE2 LYS 308 11.187 -11.049 9.712 9 HE3 LYS 308 HE3 LYS 308 12.833 -10.619 10.211 10 HZ1 LYS 308 HZ1 LYS 308 12.416 -12.961 10.627 11 HZ2 LYS 308 HZ2 LYS 308 11.054 -12.582 11.568 12 HZ3 LYS 308 HZ3 LYS 308 12.608 -12.137 12.098 13 H PHE 309 H PHE 309 7.956 -6.563 11.776 14 HA PHE 309 HA PHE 309 7.192 -6.304 8.888 15 HB2 PHE 309 HB2 PHE 309 5.853 -7.593 11.293 16 HB3 PHE 309 HB3 PHE 309 5.147 -7.538 9.677 17 HD1 PHE 309 HD1 PHE 309 6.749 -8.389 7.731 18 HD2 PHE 309 HD2 PHE 309 7.151 -9.445 11.876 19 HE1 PHE 309 HE2 PHE 309 8.051 -10.400 7.093 20 HE2 PHE 309 HE1 PHE 309 8.452 -11.456 11.236 21 HZ PHE 309 HZ PHE 309 8.903 -11.934 8.844 22 HA PRO 310 HA PRO 310 5.494 -2.464 10.599 23 HB2 PRO 310 HB2 PRO 310 5.573 -1.064 8.253 24 HB3 PRO 310 HB3 PRO 310 6.988 -1.270 9.302 25 HG2 PRO 310 HG2 PRO 310 6.324 -2.595 6.747 26 HG3 PRO 310 HG3 PRO 310 7.902 -2.209 7.448 27 HD2 PRO 310 HD2 PRO 310 6.670 -4.720 7.436 28 HD3 PRO 310 HD3 PRO 310 8.062 -4.239 8.427 29 H ARG 311 H ARG 311 3.607 -4.292 10.444 30 HA ARG 311 HA ARG 311 1.355 -4.735 9.903 31 HB2 ARG 311 HB2 ARG 311 1.763 -1.809 9.285 32 HB3 ARG 311 HB3 ARG 311 0.188 -2.563 9.058 33 HG2 ARG 311 HG2 ARG 311 0.244 -3.337 11.422 34 HG3 ARG 311 HG3 ARG 311 1.781 -2.501 11.637 35 HD2 ARG 311 HD2 ARG 311 0.082 -0.996 12.449 36 HD3 ARG 311 HD3 ARG 311 0.560 -0.372 10.857 37 HE ARG 311 HE ARG 311 -1.515 -1.160 9.954 38 HH11 ARG 311 HH11 ARG 311 -2.741 -0.199 12.463 39 HH12 ARG 311 HH12 ARG 311 -3.594 -1.590 13.040 40 HH21 ARG 311 HH21 ARG 311 -1.857 -3.817 11.015 41 HH22 ARG 311 HH22 ARG 311 -3.091 -3.647 12.217 42 H ALA 312 H ALA 312 -0.272 -3.988 7.800 43 HA ALA 312 HA ALA 312 1.108 -5.249 5.482 44 HB1 ALA 312 HB1 ALA 312 -1.815 -4.621 6.029 45 HB2 ALA 312 HB2 ALA 312 -1.027 -6.156 6.396 46 HB3 ALA 312 HB3 ALA 312 -1.203 -5.633 4.721 47 H MET 313 H MET 313 2.272 -3.044 5.235 48 HA MET 313 HA MET 313 0.558 -1.134 3.675 49 HB2 MET 313 HB2 MET 313 2.405 -0.844 5.898 50 HB3 MET 313 HB3 MET 313 2.929 0.135 4.527 51 HG2 MET 313 HG2 MET 313 0.967 1.405 4.512 52 HG3 MET 313 HG3 MET 313 0.039 0.164 5.353 53 HE1 MET 313 HE1 MET 313 0.854 0.396 8.961 54 HE2 MET 313 HE2 MET 313 0.766 -0.737 7.615 55 HE3 MET 313 HE3 MET 313 -0.547 0.408 7.880 56 HA PRO 314 HA PRO 314 3.321 -2.550 0.444 57 HB2 PRO 314 HB2 PRO 314 2.110 -1.192 -1.596 58 HB3 PRO 314 HB3 PRO 314 1.481 -2.709 -0.931 59 HG2 PRO 314 HG2 PRO 314 0.587 0.081 -0.459 60 HG3 PRO 314 HG3 PRO 314 -0.366 -1.406 -0.568 61 HD2 PRO 314 HD2 PRO 314 0.294 -0.155 1.787 62 HD3 PRO 314 HD3 PRO 314 -0.104 -1.882 1.644 63 H ILE 315 H ILE 315 4.489 -1.286 -1.432 64 HA ILE 315 HA ILE 315 5.672 1.176 -0.227 65 HB ILE 315 HB ILE 315 6.731 -0.320 -2.620 66 HG12 ILE 315 HG12 ILE 315 6.216 -2.048 -0.915 67 HG13 ILE 315 HG13 ILE 315 7.952 -1.836 -1.103 68 HG21 ILE 315 HG21 ILE 315 7.823 1.774 -1.931 69 HG22 ILE 315 HG22 ILE 315 8.892 0.400 -1.656 70 HG23 ILE 315 HG23 ILE 315 8.038 1.137 -0.300 71 HD11 ILE 315 HD11 ILE 315 7.035 -1.946 1.307 72 HD12 ILE 315 HD12 ILE 315 6.406 -0.327 1.006 73 HD13 ILE 315 HD13 ILE 315 8.142 -0.627 0.927 74 H TRP 316 H TRP 316 3.406 0.331 -2.573 75 HA TRP 316 HA TRP 316 4.005 2.710 -4.274 76 HB2 TRP 316 HB2 TRP 316 2.597 1.578 -5.927 77 HB3 TRP 316 HB3 TRP 316 3.797 0.442 -5.316 78 HD1 TRP 316 HD1 TRP 316 2.966 -1.590 -3.882 79 HE1 TRP 316 HE1 TRP 316 0.624 -2.555 -3.389 80 HE3 TRP 316 HE3 TRP 316 0.053 2.253 -5.564 81 HZ2 TRP 316 HZ2 TRP 316 -2.122 -1.796 -3.673 82 HZ3 TRP 316 HZ3 TRP 316 -2.417 2.108 -5.443 83 HH2 TRP 316 HH2 TRP 316 -3.506 0.094 -4.500 84 H ALA 317 H ALA 317 1.913 1.617 -1.788 85 HA ALA 317 HA ALA 317 0.074 3.937 -2.262 86 HB1 ALA 317 HB1 ALA 317 -1.473 2.026 -1.016 87 HB2 ALA 317 HB2 ALA 317 -0.437 1.036 -2.044 88 HB3 ALA 317 HB3 ALA 317 -1.440 2.299 -2.757 89 H ARG 318 H ARG 318 1.724 4.865 -0.646 90 HA ARG 318 HA ARG 318 1.002 4.037 2.146 91 HB2 ARG 318 HB2 ARG 318 3.359 4.572 2.721 92 HB3 ARG 318 HB3 ARG 318 3.257 3.309 1.498 93 HG2 ARG 318 HG2 ARG 318 3.317 5.913 0.231 94 HG3 ARG 318 HG3 ARG 318 4.687 5.738 1.324 95 HD2 ARG 318 HD2 ARG 318 5.255 3.570 0.239 96 HD3 ARG 318 HD3 ARG 318 3.915 3.815 -0.898 97 HE ARG 318 HE ARG 318 6.439 5.337 -0.861 98 HH11 ARG 318 HH11 ARG 318 4.775 4.238 -3.239 99 HH12 ARG 318 HH12 ARG 318 4.244 5.723 -3.957 100 HH21 ARG 318 HH21 ARG 318 5.058 7.661 -1.187 101 HH22 ARG 318 HH22 ARG 318 4.407 7.667 -2.792 102 HA PRO 319 HA PRO 319 -0.111 8.382 2.257 103 HB2 PRO 319 HB2 PRO 319 -1.346 8.288 4.694 104 HB3 PRO 319 HB3 PRO 319 -2.125 7.734 3.199 105 HG2 PRO 319 HG2 PRO 319 -0.894 6.158 5.387 106 HG3 PRO 319 HG3 PRO 319 -2.282 5.777 4.360 107 HD2 PRO 319 HD2 PRO 319 0.261 4.735 4.047 108 HD3 PRO 319 HD3 PRO 319 -0.987 4.783 2.783 109 H ASP 320 H ASP 320 1.283 6.625 5.010 110 HA ASP 320 HA ASP 320 2.724 9.091 5.897 111 HB2 ASP 320 HB2 ASP 320 2.025 6.449 7.224 112 HB3 ASP 320 HB3 ASP 320 3.006 7.694 7.995 113 H TYR 321 H TYR 321 3.697 7.821 3.583 114 HA TYR 321 HA TYR 321 5.467 5.816 3.415 115 HB2 TYR 321 HB2 TYR 321 5.106 7.600 1.745 116 HB3 TYR 321 HB3 TYR 321 6.079 8.703 2.716 117 HD1 TYR 321 HD1 TYR 321 6.579 5.080 1.878 118 HD2 TYR 321 HD2 TYR 321 8.070 9.095 1.537 119 HE1 TYR 321 HE2 TYR 321 8.634 4.225 0.791 120 HE2 TYR 321 HE1 TYR 321 10.127 8.237 0.450 121 HH TYR 321 HH TYR 321 10.479 5.618 -1.000 122 H ASN 322 H ASN 322 7.149 5.024 4.539 123 HA ASN 322 HA ASN 322 8.264 6.328 6.872 124 HB2 ASN 322 HB2 ASN 322 9.183 3.931 5.238 125 HB3 ASN 322 HB3 ASN 322 9.721 4.313 6.872 126 HD21 ASN 322 HD21 ASN 322 7.250 2.723 5.046 127 HD22 ASN 322 HD22 ASN 322 6.212 2.380 6.345 128 HA PRO 323 HA PRO 323 11.624 8.544 5.090 129 HB2 PRO 323 HB2 PRO 323 13.647 8.105 6.888 130 HB3 PRO 323 HB3 PRO 323 12.264 9.166 7.224 131 HG2 PRO 323 HG2 PRO 323 12.745 6.356 8.086 132 HG3 PRO 323 HG3 PRO 323 12.048 7.709 8.990 133 HD2 PRO 323 HD2 PRO 323 10.544 5.742 7.876 134 HD3 PRO 323 HD3 PRO 323 9.957 7.406 8.095 135 HA PRO 324 HA PRO 324 13.636 5.293 2.769 136 HB2 PRO 324 HB2 PRO 324 14.883 6.932 0.963 137 HB3 PRO 324 HB3 PRO 324 13.159 6.523 0.874 138 HG2 PRO 324 HG2 PRO 324 14.470 8.988 1.902 139 HG3 PRO 324 HG3 PRO 324 12.977 8.810 0.969 140 HD2 PRO 324 HD2 PRO 324 13.028 9.244 3.659 141 HD3 PRO 324 HD3 PRO 324 11.711 8.391 2.826 142 H LEU 325 H LEU 325 16.125 5.396 1.699 143 HA LEU 325 HA LEU 325 17.875 5.664 4.085 144 HB2 LEU 325 HB2 LEU 325 18.099 4.375 1.352 145 HB3 LEU 325 HB3 LEU 325 19.453 4.432 2.478 146 HG LEU 325 HG LEU 325 17.541 3.496 4.143 147 HD11 LEU 325 HD11 LEU 325 16.708 2.813 1.341 148 HD12 LEU 325 HD12 LEU 325 15.706 3.232 2.731 149 HD13 LEU 325 HD13 LEU 325 16.448 1.635 2.626 150 HD21 LEU 325 HD21 LEU 325 18.480 1.250 3.711 151 HD22 LEU 325 HD22 LEU 325 19.749 2.475 3.717 152 HD23 LEU 325 HD23 LEU 325 19.156 1.827 2.187 153 H LEU 326 H LEU 326 20.246 6.379 3.399 154 HA LEU 326 HA LEU 326 21.651 8.165 2.777 155 HB2 LEU 326 HB2 LEU 326 19.763 7.770 0.463 156 HB3 LEU 326 HB3 LEU 326 20.944 9.078 0.413 157 HG LEU 326 HG LEU 326 22.028 6.468 1.281 158 HD11 LEU 326 HD11 LEU 326 22.170 5.781 -1.201 159 HD12 LEU 326 HD12 LEU 326 20.837 6.906 -1.460 160 HD13 LEU 326 HD13 LEU 326 20.628 5.524 -0.384 161 HD21 LEU 326 HD21 LEU 326 23.867 7.173 -0.168 162 HD22 LEU 326 HD22 LEU 326 23.374 8.530 0.845 163 HD23 LEU 326 HD23 LEU 326 22.875 8.464 -0.846 164 H GLU 327 H GLU 327 20.118 9.073 4.716 165 HA GLU 327 HA GLU 327 18.907 11.643 3.737 166 HB2 GLU 327 HB2 GLU 327 18.084 9.549 5.667 167 HB3 GLU 327 HB3 GLU 327 17.840 11.205 6.221 168 HG2 GLU 327 HG2 GLU 327 16.768 11.615 3.899 169 HG3 GLU 327 HG3 GLU 327 16.687 9.857 3.780 Start of MODEL 6 1 HA LYS 308 HA LYS 308 10.018 -8.534 0.825 2 HB2 LYS 308 HB2 LYS 308 8.928 -7.127 -1.107 3 HB3 LYS 308 HB3 LYS 308 7.986 -6.399 0.194 4 HG2 LYS 308 HG2 LYS 308 9.813 -5.353 1.123 5 HG3 LYS 308 HG3 LYS 308 10.928 -6.624 0.621 6 HD2 LYS 308 HD2 LYS 308 11.545 -4.916 -0.832 7 HD3 LYS 308 HD3 LYS 308 10.338 -5.756 -1.806 8 HE2 LYS 308 HE2 LYS 308 9.436 -3.645 -1.996 9 HE3 LYS 308 HE3 LYS 308 8.736 -4.031 -0.412 10 HZ1 LYS 308 HZ1 LYS 308 9.990 -1.934 -0.376 11 HZ2 LYS 308 HZ2 LYS 308 11.397 -2.766 -0.840 12 HZ3 LYS 308 HZ3 LYS 308 10.668 -3.092 0.662 13 H PHE 309 H PHE 309 6.672 -7.332 1.404 14 HA PHE 309 HA PHE 309 6.826 -8.153 4.240 15 HB2 PHE 309 HB2 PHE 309 7.631 -5.575 3.313 16 HB3 PHE 309 HB3 PHE 309 6.110 -5.367 4.180 17 HD1 PHE 309 HD1 PHE 309 5.887 -6.261 6.529 18 HD2 PHE 309 HD2 PHE 309 9.653 -6.100 4.469 19 HE1 PHE 309 HE1 PHE 309 7.080 -6.512 8.688 20 HE2 PHE 309 HE2 PHE 309 10.845 -6.351 6.628 21 HZ PHE 309 HZ PHE 309 9.559 -6.557 8.737 22 HA PRO 310 HA PRO 310 2.587 -8.245 2.460 23 HB2 PRO 310 HB2 PRO 310 1.907 -10.673 3.520 24 HB3 PRO 310 HB3 PRO 310 2.786 -10.499 1.989 25 HG2 PRO 310 HG2 PRO 310 3.802 -11.219 4.682 26 HG3 PRO 310 HG3 PRO 310 4.315 -11.792 3.089 27 HD2 PRO 310 HD2 PRO 310 5.658 -9.907 4.583 28 HD3 PRO 310 HD3 PRO 310 5.795 -10.086 2.821 29 H ARG 311 H ARG 311 2.655 -6.464 4.314 30 HA ARG 311 HA ARG 311 0.811 -7.384 6.479 31 HB2 ARG 311 HB2 ARG 311 3.500 -6.039 6.691 32 HB3 ARG 311 HB3 ARG 311 2.287 -5.777 7.946 33 HG2 ARG 311 HG2 ARG 311 2.193 -8.518 7.578 34 HG3 ARG 311 HG3 ARG 311 3.909 -8.162 7.387 35 HD2 ARG 311 HD2 ARG 311 2.472 -6.861 9.675 36 HD3 ARG 311 HD3 ARG 311 2.876 -8.585 9.810 37 HE ARG 311 HE ARG 311 5.251 -7.792 9.057 38 HH11 ARG 311 HH11 ARG 311 4.437 -4.876 9.132 39 HH12 ARG 311 HH12 ARG 311 5.008 -4.393 10.695 40 HH21 ARG 311 HH21 ARG 311 5.371 -7.652 11.853 41 HH22 ARG 311 HH22 ARG 311 5.539 -5.973 12.242 42 H ALA 312 H ALA 312 0.042 -5.993 4.150 43 HA ALA 312 HA ALA 312 -1.253 -4.133 3.510 44 HB1 ALA 312 HB1 ALA 312 -1.932 -4.636 6.008 45 HB2 ALA 312 HB2 ALA 312 -2.462 -3.139 5.242 46 HB3 ALA 312 HB3 ALA 312 -1.080 -3.127 6.336 47 H MET 313 H MET 313 -1.185 -1.623 3.548 48 HA MET 313 HA MET 313 0.058 0.304 2.993 49 HB2 MET 313 HB2 MET 313 0.269 -0.190 5.588 50 HB3 MET 313 HB3 MET 313 1.960 -0.486 5.179 51 HG2 MET 313 HG2 MET 313 2.168 1.734 4.212 52 HG3 MET 313 HG3 MET 313 0.446 2.033 4.435 53 HE1 MET 313 HE1 MET 313 3.842 2.324 5.604 54 HE2 MET 313 HE2 MET 313 3.650 0.839 6.532 55 HE3 MET 313 HE3 MET 313 3.858 2.373 7.372 56 HA PRO 314 HA PRO 314 3.310 -2.256 0.849 57 HB2 PRO 314 HB2 PRO 314 2.521 -1.646 -1.700 58 HB3 PRO 314 HB3 PRO 314 1.870 -3.018 -0.784 59 HG2 PRO 314 HG2 PRO 314 0.686 -0.337 -1.277 60 HG3 PRO 314 HG3 PRO 314 -0.099 -1.921 -1.214 61 HD2 PRO 314 HD2 PRO 314 -0.175 -0.112 0.830 62 HD3 PRO 314 HD3 PRO 314 -0.313 -1.868 1.062 63 H ILE 315 H ILE 315 4.677 -1.277 -1.178 64 HA ILE 315 HA ILE 315 5.777 1.248 -0.218 65 HB ILE 315 HB ILE 315 6.387 -0.162 -2.827 66 HG12 ILE 315 HG12 ILE 315 6.427 -1.905 -1.126 67 HG13 ILE 315 HG13 ILE 315 8.089 -1.469 -1.513 68 HG21 ILE 315 HG21 ILE 315 8.658 0.714 -2.383 69 HG22 ILE 315 HG22 ILE 315 8.076 1.450 -0.889 70 HG23 ILE 315 HG23 ILE 315 7.468 2.014 -2.447 71 HD11 ILE 315 HD11 ILE 315 6.529 -0.351 0.837 72 HD12 ILE 315 HD12 ILE 315 8.231 -0.064 0.475 73 HD13 ILE 315 HD13 ILE 315 7.689 -1.675 0.946 74 H TRP 316 H TRP 316 3.920 0.240 -3.067 75 HA TRP 316 HA TRP 316 3.921 2.876 -4.289 76 HB2 TRP 316 HB2 TRP 316 2.413 1.816 -5.897 77 HB3 TRP 316 HB3 TRP 316 3.728 0.712 -5.514 78 HD1 TRP 316 HD1 TRP 316 3.157 -1.472 -4.141 79 HE1 TRP 316 HE1 TRP 316 0.931 -2.655 -3.599 80 HE3 TRP 316 HE3 TRP 316 -0.135 2.237 -5.363 81 HZ2 TRP 316 HZ2 TRP 316 -1.875 -2.102 -3.674 82 HZ3 TRP 316 HZ3 TRP 316 -2.575 1.882 -5.119 83 HH2 TRP 316 HH2 TRP 316 -3.448 -0.279 -4.276 84 H ALA 317 H ALA 317 1.864 1.251 -1.964 85 HA ALA 317 HA ALA 317 -0.060 3.551 -2.086 86 HB1 ALA 317 HB1 ALA 317 -1.712 2.000 -1.886 87 HB2 ALA 317 HB2 ALA 317 -0.860 1.144 -0.601 88 HB3 ALA 317 HB3 ALA 317 -0.473 0.813 -2.288 89 H ARG 318 H ARG 318 1.674 4.660 -0.731 90 HA ARG 318 HA ARG 318 1.378 3.925 2.165 91 HB2 ARG 318 HB2 ARG 318 3.675 4.002 0.476 92 HB3 ARG 318 HB3 ARG 318 3.811 5.356 1.597 93 HG2 ARG 318 HG2 ARG 318 4.002 3.997 3.435 94 HG3 ARG 318 HG3 ARG 318 2.946 2.757 2.758 95 HD2 ARG 318 HD2 ARG 318 4.822 1.571 2.285 96 HD3 ARG 318 HD3 ARG 318 5.188 2.796 1.053 97 HE ARG 318 HE ARG 318 6.411 4.061 2.840 98 HH11 ARG 318 HH11 ARG 318 7.737 1.360 2.350 99 HH12 ARG 318 HH12 ARG 318 8.011 0.818 3.971 100 HH21 ARG 318 HH21 ARG 318 5.827 3.125 5.384 101 HH22 ARG 318 HH22 ARG 318 6.918 1.818 5.696 102 HA PRO 319 HA PRO 319 -0.219 8.125 2.153 103 HB2 PRO 319 HB2 PRO 319 -0.740 8.239 4.845 104 HB3 PRO 319 HB3 PRO 319 -1.812 7.430 3.683 105 HG2 PRO 319 HG2 PRO 319 0.233 6.254 5.507 106 HG3 PRO 319 HG3 PRO 319 -1.386 5.663 5.099 107 HD2 PRO 319 HD2 PRO 319 0.861 4.630 4.000 108 HD3 PRO 319 HD3 PRO 319 -0.686 4.703 3.127 109 H ASP 320 H ASP 320 2.087 6.910 4.553 110 HA ASP 320 HA ASP 320 3.442 9.582 4.612 111 HB2 ASP 320 HB2 ASP 320 2.454 8.071 6.659 112 HB3 ASP 320 HB3 ASP 320 4.102 7.446 6.577 113 H TYR 321 H TYR 321 3.808 7.822 2.404 114 HA TYR 321 HA TYR 321 5.802 5.916 2.383 115 HB2 TYR 321 HB2 TYR 321 4.473 6.739 0.454 116 HB3 TYR 321 HB3 TYR 321 5.438 8.214 0.437 117 HD1 TYR 321 HD1 TYR 321 6.021 4.504 0.576 118 HD2 TYR 321 HD2 TYR 321 7.186 8.285 -1.092 119 HE1 TYR 321 HE1 TYR 321 7.743 3.368 -0.796 120 HE2 TYR 321 HE2 TYR 321 8.908 7.148 -2.466 121 HH TYR 321 HH TYR 321 8.964 4.222 -3.283 122 H ASN 322 H ASN 322 7.772 5.948 3.314 123 HA ASN 322 HA ASN 322 9.222 8.416 3.898 124 HB2 ASN 322 HB2 ASN 322 10.734 6.922 5.020 125 HB3 ASN 322 HB3 ASN 322 9.126 6.244 5.257 126 HD21 ASN 322 HD21 ASN 322 8.594 4.245 4.094 127 HD22 ASN 322 HD22 ASN 322 9.794 3.325 3.327 128 HA PRO 323 HA PRO 323 11.741 8.639 0.300 129 HB2 PRO 323 HB2 PRO 323 14.214 9.248 1.313 130 HB3 PRO 323 HB3 PRO 323 12.873 10.410 1.266 131 HG2 PRO 323 HG2 PRO 323 13.867 8.759 3.537 132 HG3 PRO 323 HG3 PRO 323 13.304 10.438 3.524 133 HD2 PRO 323 HD2 PRO 323 11.774 8.366 4.386 134 HD3 PRO 323 HD3 PRO 323 11.095 9.837 3.654 135 HA PRO 324 HA PRO 324 13.327 4.425 0.292 136 HB2 PRO 324 HB2 PRO 324 13.473 4.194 -2.432 137 HB3 PRO 324 HB3 PRO 324 11.962 4.017 -1.523 138 HG2 PRO 324 HG2 PRO 324 12.979 6.348 -3.067 139 HG3 PRO 324 HG3 PRO 324 11.330 5.721 -2.927 140 HD2 PRO 324 HD2 PRO 324 12.232 7.905 -1.567 141 HD3 PRO 324 HD3 PRO 324 10.923 6.855 -0.984 142 H LEU 325 H LEU 325 15.224 3.421 -1.195 143 HA LEU 325 HA LEU 325 17.597 5.071 -0.664 144 HB2 LEU 325 HB2 LEU 325 18.776 3.000 -1.430 145 HB3 LEU 325 HB3 LEU 325 17.585 2.675 -0.174 146 HG LEU 325 HG LEU 325 16.336 2.517 -2.783 147 HD11 LEU 325 HD11 LEU 325 17.554 0.624 -3.700 148 HD12 LEU 325 HD12 LEU 325 18.661 0.622 -2.328 149 HD13 LEU 325 HD13 LEU 325 18.685 1.960 -3.479 150 HD21 LEU 325 HD21 LEU 325 15.470 0.510 -1.901 151 HD22 LEU 325 HD22 LEU 325 15.760 1.481 -0.459 152 HD23 LEU 325 HD23 LEU 325 16.901 0.218 -0.916 153 H LEU 326 H LEU 326 16.867 6.777 -2.276 154 HA LEU 326 HA LEU 326 17.933 6.121 -5.000 155 HB2 LEU 326 HB2 LEU 326 15.276 7.166 -4.122 156 HB3 LEU 326 HB3 LEU 326 15.967 7.878 -5.581 157 HG LEU 326 HG LEU 326 16.247 4.972 -5.557 158 HD11 LEU 326 HD11 LEU 326 13.865 4.452 -5.859 159 HD12 LEU 326 HD12 LEU 326 13.443 6.133 -5.528 160 HD13 LEU 326 HD13 LEU 326 14.142 5.131 -4.255 161 HD21 LEU 326 HD21 LEU 326 16.501 6.536 -7.512 162 HD22 LEU 326 HD22 LEU 326 14.765 6.840 -7.436 163 HD23 LEU 326 HD23 LEU 326 15.362 5.223 -7.807 164 H GLU 327 H GLU 327 19.691 7.258 -3.388 165 HA GLU 327 HA GLU 327 21.035 9.151 -2.989 166 HB2 GLU 327 HB2 GLU 327 19.756 9.399 -5.652 167 HB3 GLU 327 HB3 GLU 327 20.442 10.894 -5.018 168 HG2 GLU 327 HG2 GLU 327 22.360 10.065 -5.956 169 HG3 GLU 327 HG3 GLU 327 22.460 9.196 -4.425 Start of MODEL 7 1 HA LYS 308 HA LYS 308 -8.817 -8.873 4.008 2 HB2 LYS 308 HB2 LYS 308 -9.988 -10.946 2.153 3 HB3 LYS 308 HB3 LYS 308 -8.338 -11.117 2.750 4 HG2 LYS 308 HG2 LYS 308 -9.101 -11.081 5.052 5 HG3 LYS 308 HG3 LYS 308 -10.749 -10.711 4.543 6 HD2 LYS 308 HD2 LYS 308 -10.812 -12.881 3.307 7 HD3 LYS 308 HD3 LYS 308 -9.214 -13.259 3.951 8 HE2 LYS 308 HE2 LYS 308 -10.009 -13.529 6.137 9 HE3 LYS 308 HE3 LYS 308 -11.430 -12.506 5.851 10 HZ1 LYS 308 HZ1 LYS 308 -12.286 -14.168 4.320 11 HZ2 LYS 308 HZ2 LYS 308 -12.027 -14.861 5.849 12 HZ3 LYS 308 HZ3 LYS 308 -10.930 -15.152 4.585 13 H PHE 309 H PHE 309 -6.678 -8.625 3.188 14 HA PHE 309 HA PHE 309 -6.317 -8.199 0.267 15 HB2 PHE 309 HB2 PHE 309 -7.006 -6.076 1.624 16 HB3 PHE 309 HB3 PHE 309 -5.366 -6.147 2.268 17 HD1 PHE 309 HD1 PHE 309 -7.384 -5.781 -0.822 18 HD2 PHE 309 HD2 PHE 309 -3.454 -5.603 0.906 19 HE1 PHE 309 HE1 PHE 309 -6.524 -4.708 -2.886 20 HE2 PHE 309 HE2 PHE 309 -2.595 -4.529 -1.157 21 HZ PHE 309 HZ PHE 309 -4.131 -4.082 -3.053 22 HA PRO 310 HA PRO 310 -2.533 -10.243 1.342 23 HB2 PRO 310 HB2 PRO 310 -1.160 -9.781 -0.981 24 HB3 PRO 310 HB3 PRO 310 -2.459 -10.983 -0.848 25 HG2 PRO 310 HG2 PRO 310 -2.538 -8.231 -1.977 26 HG3 PRO 310 HG3 PRO 310 -3.328 -9.708 -2.549 27 HD2 PRO 310 HD2 PRO 310 -4.620 -7.758 -1.157 28 HD3 PRO 310 HD3 PRO 310 -5.100 -9.470 -1.122 29 H ARG 311 H ARG 311 -0.914 -9.434 2.604 30 HA ARG 311 HA ARG 311 0.766 -8.016 3.450 31 HB2 ARG 311 HB2 ARG 311 0.644 -7.563 0.548 32 HB3 ARG 311 HB3 ARG 311 1.278 -6.179 1.437 33 HG2 ARG 311 HG2 ARG 311 3.159 -7.295 2.101 34 HG3 ARG 311 HG3 ARG 311 2.309 -8.831 2.277 35 HD2 ARG 311 HD2 ARG 311 2.168 -8.868 -0.297 36 HD3 ARG 311 HD3 ARG 311 3.385 -7.575 -0.259 37 HE ARG 311 HE ARG 311 3.795 -10.358 0.694 38 HH11 ARG 311 HH11 ARG 311 5.623 -9.130 -1.295 39 HH12 ARG 311 HH12 ARG 311 6.966 -8.630 -0.323 40 HH21 ARG 311 HH21 ARG 311 5.215 -8.845 2.673 41 HH22 ARG 311 HH22 ARG 311 6.735 -8.470 1.933 42 H ALA 312 H ALA 312 1.018 -5.844 4.333 43 HA ALA 312 HA ALA 312 -1.468 -4.167 4.140 44 HB1 ALA 312 HB1 ALA 312 -1.163 -3.754 6.541 45 HB2 ALA 312 HB2 ALA 312 0.329 -4.694 6.530 46 HB3 ALA 312 HB3 ALA 312 -1.218 -5.490 6.241 47 H MET 313 H MET 313 -1.086 -2.071 3.559 48 HA MET 313 HA MET 313 0.064 -0.095 2.999 49 HB2 MET 313 HB2 MET 313 1.218 -1.116 5.562 50 HB3 MET 313 HB3 MET 313 2.041 0.233 4.779 51 HG2 MET 313 HG2 MET 313 0.106 1.610 4.874 52 HG3 MET 313 HG3 MET 313 -0.945 0.242 5.238 53 HE1 MET 313 HE1 MET 313 -1.224 0.106 8.828 54 HE2 MET 313 HE2 MET 313 -1.270 -0.866 7.360 55 HE3 MET 313 HE3 MET 313 -2.083 0.697 7.400 56 HA PRO 314 HA PRO 314 3.363 -2.448 0.767 57 HB2 PRO 314 HB2 PRO 314 2.566 -1.712 -1.746 58 HB3 PRO 314 HB3 PRO 314 1.914 -3.127 -0.900 59 HG2 PRO 314 HG2 PRO 314 0.726 -0.434 -1.283 60 HG3 PRO 314 HG3 PRO 314 -0.057 -2.019 -1.254 61 HD2 PRO 314 HD2 PRO 314 -0.078 -0.245 0.841 62 HD3 PRO 314 HD3 PRO 314 -0.294 -2.000 1.012 63 H ILE 315 H ILE 315 4.616 -1.294 -1.327 64 HA ILE 315 HA ILE 315 5.720 1.183 -0.197 65 HB ILE 315 HB ILE 315 6.316 -0.258 -2.802 66 HG12 ILE 315 HG12 ILE 315 6.548 -1.836 -0.958 67 HG13 ILE 315 HG13 ILE 315 8.156 -1.347 -1.484 68 HG21 ILE 315 HG21 ILE 315 7.225 2.056 -2.568 69 HG22 ILE 315 HG22 ILE 315 8.493 0.831 -2.640 70 HG23 ILE 315 HG23 ILE 315 8.049 1.551 -1.093 71 HD11 ILE 315 HD11 ILE 315 8.153 0.381 0.348 72 HD12 ILE 315 HD12 ILE 315 8.107 -1.280 0.937 73 HD13 ILE 315 HD13 ILE 315 6.635 -0.309 0.924 74 H TRP 316 H TRP 316 4.023 0.257 -3.175 75 HA TRP 316 HA TRP 316 3.912 2.916 -4.290 76 HB2 TRP 316 HB2 TRP 316 2.427 1.854 -5.915 77 HB3 TRP 316 HB3 TRP 316 3.753 0.756 -5.540 78 HD1 TRP 316 HD1 TRP 316 3.206 -1.433 -4.158 79 HE1 TRP 316 HE1 TRP 316 0.990 -2.636 -3.617 80 HE3 TRP 316 HE3 TRP 316 -0.125 2.239 -5.392 81 HZ2 TRP 316 HZ2 TRP 316 -1.822 -2.112 -3.693 82 HZ3 TRP 316 HZ3 TRP 316 -2.561 1.861 -5.148 83 HH2 TRP 316 HH2 TRP 316 -3.413 -0.306 -4.300 84 H ALA 317 H ALA 317 2.017 1.349 -1.837 85 HA ALA 317 HA ALA 317 -0.050 3.518 -2.051 86 HB1 ALA 317 HB1 ALA 317 -0.418 0.837 -2.260 87 HB2 ALA 317 HB2 ALA 317 -1.645 1.925 -1.616 88 HB3 ALA 317 HB3 ALA 317 -0.597 1.030 -0.517 89 H ARG 318 H ARG 318 1.611 4.779 -0.741 90 HA ARG 318 HA ARG 318 1.342 4.141 2.177 91 HB2 ARG 318 HB2 ARG 318 3.701 4.946 0.482 92 HB3 ARG 318 HB3 ARG 318 3.684 5.320 2.206 93 HG2 ARG 318 HG2 ARG 318 2.837 2.586 1.755 94 HG3 ARG 318 HG3 ARG 318 4.410 2.875 1.011 95 HD2 ARG 318 HD2 ARG 318 5.009 4.024 3.286 96 HD3 ARG 318 HD3 ARG 318 3.627 3.105 3.914 97 HE ARG 318 HE ARG 318 4.887 1.132 2.607 98 HH11 ARG 318 HH11 ARG 318 7.372 2.855 2.433 99 HH12 ARG 318 HH12 ARG 318 8.250 2.344 3.834 100 HH21 ARG 318 HH21 ARG 318 5.500 0.820 5.322 101 HH22 ARG 318 HH22 ARG 318 7.185 1.187 5.478 102 HA PRO 319 HA PRO 319 -0.339 8.258 2.209 103 HB2 PRO 319 HB2 PRO 319 -0.428 8.583 4.927 104 HB3 PRO 319 HB3 PRO 319 -1.601 7.599 4.029 105 HG2 PRO 319 HG2 PRO 319 0.772 6.743 5.607 106 HG3 PRO 319 HG3 PRO 319 -0.824 5.990 5.470 107 HD2 PRO 319 HD2 PRO 319 1.382 5.091 4.148 108 HD3 PRO 319 HD3 PRO 319 -0.278 4.873 3.551 109 H ASP 320 H ASP 320 2.381 7.480 4.372 110 HA ASP 320 HA ASP 320 3.487 10.234 3.936 111 HB2 ASP 320 HB2 ASP 320 3.861 8.148 6.116 112 HB3 ASP 320 HB3 ASP 320 4.760 9.663 6.049 113 H TYR 321 H TYR 321 3.769 8.168 1.948 114 HA TYR 321 HA TYR 321 6.067 6.563 2.033 115 HB2 TYR 321 HB2 TYR 321 4.251 6.661 0.295 116 HB3 TYR 321 HB3 TYR 321 4.987 8.138 -0.324 117 HD1 TYR 321 HD1 TYR 321 6.165 4.735 0.765 118 HD2 TYR 321 HD2 TYR 321 6.344 7.853 -2.185 119 HE1 TYR 321 HE2 TYR 321 7.773 3.391 -0.560 120 HE2 TYR 321 HE1 TYR 321 7.951 6.508 -3.510 121 HH TYR 321 HH TYR 321 9.737 4.265 -2.504 122 H ASN 322 H ASN 322 8.225 6.883 1.445 123 HA ASN 322 HA ASN 322 9.334 9.566 1.885 124 HB2 ASN 322 HB2 ASN 322 10.622 6.932 1.074 125 HB3 ASN 322 HB3 ASN 322 11.469 8.341 1.709 126 HD21 ASN 322 HD21 ASN 322 10.060 5.401 2.634 127 HD22 ASN 322 HD22 ASN 322 9.883 5.721 4.291 128 HA PRO 323 HA PRO 323 9.804 10.760 -2.328 129 HB2 PRO 323 HB2 PRO 323 12.327 11.831 -2.390 130 HB3 PRO 323 HB3 PRO 323 10.948 12.643 -1.620 131 HG2 PRO 323 HG2 PRO 323 13.131 11.037 -0.377 132 HG3 PRO 323 HG3 PRO 323 12.383 12.542 0.179 133 HD2 PRO 323 HD2 PRO 323 11.756 10.124 1.219 134 HD3 PRO 323 HD3 PRO 323 10.586 11.458 1.116 135 HA PRO 324 HA PRO 324 11.926 7.049 -3.786 136 HB2 PRO 324 HB2 PRO 324 10.662 6.952 -6.211 137 HB3 PRO 324 HB3 PRO 324 9.923 6.364 -4.711 138 HG2 PRO 324 HG2 PRO 324 9.471 8.909 -6.174 139 HG3 PRO 324 HG3 PRO 324 8.319 7.891 -5.295 140 HD2 PRO 324 HD2 PRO 324 9.386 10.214 -4.305 141 HD3 PRO 324 HD3 PRO 324 8.771 8.888 -3.296 142 H LEU 325 H LEU 325 12.882 6.638 -6.198 143 HA LEU 325 HA LEU 325 14.294 9.154 -7.035 144 HB2 LEU 325 HB2 LEU 325 15.298 6.817 -5.829 145 HB3 LEU 325 HB3 LEU 325 15.736 6.668 -7.530 146 HG LEU 325 HG LEU 325 17.520 7.841 -6.371 147 HD11 LEU 325 HD11 LEU 325 16.029 10.052 -7.766 148 HD12 LEU 325 HD12 LEU 325 16.574 8.645 -8.679 149 HD13 LEU 325 HD13 LEU 325 17.745 9.655 -7.832 150 HD21 LEU 325 HD21 LEU 325 17.174 9.800 -5.047 151 HD22 LEU 325 HD22 LEU 325 15.946 8.650 -4.517 152 HD23 LEU 325 HD23 LEU 325 15.509 9.970 -5.602 153 H LEU 326 H LEU 326 11.890 8.343 -8.275 154 HA LEU 326 HA LEU 326 12.826 7.182 -10.881 155 HB2 LEU 326 HB2 LEU 326 10.526 6.741 -9.107 156 HB3 LEU 326 HB3 LEU 326 10.047 7.023 -10.779 157 HG LEU 326 HG LEU 326 10.407 4.625 -10.384 158 HD11 LEU 326 HD11 LEU 326 11.736 4.197 -12.294 159 HD12 LEU 326 HD12 LEU 326 12.755 5.607 -12.007 160 HD13 LEU 326 HD13 LEU 326 11.097 5.818 -12.570 161 HD21 LEU 326 HD21 LEU 326 13.328 5.207 -9.905 162 HD22 LEU 326 HD22 LEU 326 12.432 3.725 -9.577 163 HD23 LEU 326 HD23 LEU 326 12.188 5.146 -8.561 164 H GLU 327 H GLU 327 12.902 8.695 -12.493 165 HA GLU 327 HA GLU 327 10.944 10.970 -12.420 166 HB2 GLU 327 HB2 GLU 327 13.935 10.899 -12.839 167 HB3 GLU 327 HB3 GLU 327 12.968 12.245 -13.442 168 HG2 GLU 327 HG2 GLU 327 12.969 13.159 -11.387 169 HG3 GLU 327 HG3 GLU 327 12.140 11.735 -10.761 Start of MODEL 8 1 HA LYS 308 HA LYS 308 1.586 -11.285 17.673 2 HB2 LYS 308 HB2 LYS 308 2.288 -13.798 16.177 3 HB3 LYS 308 HB3 LYS 308 3.079 -12.287 15.731 4 HG2 LYS 308 HG2 LYS 308 4.212 -12.122 17.735 5 HG3 LYS 308 HG3 LYS 308 2.955 -12.966 18.638 6 HD2 LYS 308 HD2 LYS 308 3.625 -15.096 17.547 7 HD3 LYS 308 HD3 LYS 308 4.916 -14.240 16.706 8 HE2 LYS 308 HE2 LYS 308 6.237 -14.656 18.505 9 HE3 LYS 308 HE3 LYS 308 5.211 -13.542 19.430 10 HZ1 LYS 308 HZ1 LYS 308 3.672 -15.372 19.848 11 HZ2 LYS 308 HZ2 LYS 308 5.219 -15.738 20.447 12 HZ3 LYS 308 HZ3 LYS 308 4.681 -16.439 18.997 13 H PHE 309 H PHE 309 1.536 -9.641 16.071 14 HA PHE 309 HA PHE 309 -0.487 -10.038 13.898 15 HB2 PHE 309 HB2 PHE 309 -0.772 -8.320 15.779 16 HB3 PHE 309 HB3 PHE 309 0.576 -7.445 15.050 17 HD1 PHE 309 HD1 PHE 309 0.371 -6.448 12.803 18 HD2 PHE 309 HD2 PHE 309 -2.938 -8.445 14.681 19 HE1 PHE 309 HE1 PHE 309 -1.177 -5.441 11.150 20 HE2 PHE 309 HE2 PHE 309 -4.485 -7.437 13.027 21 HZ PHE 309 HZ PHE 309 -3.606 -5.934 11.262 22 HA PRO 310 HA PRO 310 3.204 -9.773 11.332 23 HB2 PRO 310 HB2 PRO 310 1.942 -10.431 8.993 24 HB3 PRO 310 HB3 PRO 310 2.436 -11.636 10.200 25 HG2 PRO 310 HG2 PRO 310 -0.250 -10.470 9.676 26 HG3 PRO 310 HG3 PRO 310 0.197 -12.122 10.126 27 HD2 PRO 310 HD2 PRO 310 -0.820 -10.286 11.878 28 HD3 PRO 310 HD3 PRO 310 0.220 -11.644 12.358 29 H ARG 311 H ARG 311 3.921 -8.222 9.748 30 HA ARG 311 HA ARG 311 2.366 -5.734 9.677 31 HB2 ARG 311 HB2 ARG 311 5.098 -6.700 9.139 32 HB3 ARG 311 HB3 ARG 311 4.574 -5.421 8.044 33 HG2 ARG 311 HG2 ARG 311 3.819 -4.127 10.098 34 HG3 ARG 311 HG3 ARG 311 4.662 -5.335 11.068 35 HD2 ARG 311 HD2 ARG 311 6.322 -4.320 8.870 36 HD3 ARG 311 HD3 ARG 311 5.831 -3.049 10.007 37 HE ARG 311 HE ARG 311 6.755 -4.446 11.842 38 HH11 ARG 311 HH11 ARG 311 9.077 -3.857 10.051 39 HH12 ARG 311 HH12 ARG 311 9.774 -5.426 9.821 40 HH21 ARG 311 HH21 ARG 311 6.949 -7.128 10.919 41 HH22 ARG 311 HH22 ARG 311 8.564 -7.286 10.315 42 H ALA 312 H ALA 312 1.417 -4.809 7.830 43 HA ALA 312 HA ALA 312 1.557 -6.290 5.248 44 HB1 ALA 312 HB1 ALA 312 -1.028 -6.078 5.249 45 HB2 ALA 312 HB2 ALA 312 -0.870 -5.797 6.983 46 HB3 ALA 312 HB3 ALA 312 -0.318 -7.319 6.283 47 H MET 313 H MET 313 2.710 -4.338 4.554 48 HA MET 313 HA MET 313 0.851 -2.132 3.823 49 HB2 MET 313 HB2 MET 313 2.490 -0.472 4.698 50 HB3 MET 313 HB3 MET 313 1.858 -1.509 5.976 51 HG2 MET 313 HG2 MET 313 4.073 -2.917 5.074 52 HG3 MET 313 HG3 MET 313 4.603 -1.238 4.983 53 HE1 MET 313 HE1 MET 313 6.103 -0.683 6.665 54 HE2 MET 313 HE2 MET 313 6.412 -2.411 6.819 55 HE3 MET 313 HE3 MET 313 6.225 -1.424 8.267 56 HA PRO 314 HA PRO 314 3.318 -2.796 0.162 57 HB2 PRO 314 HB2 PRO 314 1.916 -1.108 -1.467 58 HB3 PRO 314 HB3 PRO 314 1.344 -2.727 -1.029 59 HG2 PRO 314 HG2 PRO 314 0.493 -0.080 -0.015 60 HG3 PRO 314 HG3 PRO 314 -0.447 -1.560 -0.234 61 HD2 PRO 314 HD2 PRO 314 0.527 -0.619 2.184 62 HD3 PRO 314 HD3 PRO 314 0.008 -2.287 1.864 63 H ILE 315 H ILE 315 4.234 -1.119 -1.579 64 HA ILE 315 HA ILE 315 5.549 1.076 -0.040 65 HB ILE 315 HB ILE 315 6.220 -0.175 -2.724 66 HG12 ILE 315 HG12 ILE 315 8.113 -0.827 -0.688 67 HG13 ILE 315 HG13 ILE 315 6.508 -1.212 -0.063 68 HG21 ILE 315 HG21 ILE 315 7.085 2.186 -2.073 69 HG22 ILE 315 HG22 ILE 315 8.265 0.996 -2.621 70 HG23 ILE 315 HG23 ILE 315 8.088 1.335 -0.899 71 HD11 ILE 315 HD11 ILE 315 6.019 -2.613 -1.951 72 HD12 ILE 315 HD12 ILE 315 7.621 -3.076 -1.376 73 HD13 ILE 315 HD13 ILE 315 7.459 -2.061 -2.808 74 H TRP 316 H TRP 316 4.022 0.447 -3.197 75 HA TRP 316 HA TRP 316 3.992 3.174 -4.084 76 HB2 TRP 316 HB2 TRP 316 2.526 2.314 -5.826 77 HB3 TRP 316 HB3 TRP 316 3.780 1.122 -5.501 78 HD1 TRP 316 HD1 TRP 316 3.067 -1.158 -4.386 79 HE1 TRP 316 HE1 TRP 316 0.779 -2.288 -4.026 80 HE3 TRP 316 HE3 TRP 316 -0.032 2.800 -5.300 81 HZ2 TRP 316 HZ2 TRP 316 -1.997 -1.606 -4.114 82 HZ3 TRP 316 HZ3 TRP 316 -2.490 2.530 -5.159 83 HH2 TRP 316 HH2 TRP 316 -3.476 0.334 -4.566 84 H ALA 317 H ALA 317 1.708 1.293 -2.151 85 HA ALA 317 HA ALA 317 -0.223 3.562 -2.143 86 HB1 ALA 317 HB1 ALA 317 -0.241 0.651 -1.718 87 HB2 ALA 317 HB2 ALA 317 -1.544 1.710 -2.254 88 HB3 ALA 317 HB3 ALA 317 -1.207 1.529 -0.533 89 H ARG 318 H ARG 318 1.619 4.760 -0.933 90 HA ARG 318 HA ARG 318 1.281 4.338 2.015 91 HB2 ARG 318 HB2 ARG 318 3.620 4.128 0.315 92 HB3 ARG 318 HB3 ARG 318 3.843 5.422 1.490 93 HG2 ARG 318 HG2 ARG 318 3.653 3.977 3.317 94 HG3 ARG 318 HG3 ARG 318 2.758 2.769 2.396 95 HD2 ARG 318 HD2 ARG 318 5.062 1.982 2.799 96 HD3 ARG 318 HD3 ARG 318 4.834 2.302 1.070 97 HE ARG 318 HE ARG 318 5.723 4.712 2.336 98 HH11 ARG 318 HH11 ARG 318 6.981 3.828 -0.151 99 HH12 ARG 318 HH12 ARG 318 8.550 3.294 0.354 100 HH21 ARG 318 HH21 ARG 318 7.668 3.022 3.706 101 HH22 ARG 318 HH22 ARG 318 8.940 2.838 2.544 102 HA PRO 319 HA PRO 319 0.675 8.717 2.165 103 HB2 PRO 319 HB2 PRO 319 2.056 9.466 4.404 104 HB3 PRO 319 HB3 PRO 319 0.525 8.569 4.472 105 HG2 PRO 319 HG2 PRO 319 3.312 7.588 4.793 106 HG3 PRO 319 HG3 PRO 319 1.837 7.090 5.632 107 HD2 PRO 319 HD2 PRO 319 2.993 5.670 3.603 108 HD3 PRO 319 HD3 PRO 319 1.265 5.594 4.009 109 H ASP 320 H ASP 320 4.028 7.660 2.589 110 HA ASP 320 HA ASP 320 4.965 10.092 1.102 111 HB2 ASP 320 HB2 ASP 320 6.163 8.464 3.360 112 HB3 ASP 320 HB3 ASP 320 7.105 9.632 2.434 113 H TYR 321 H TYR 321 4.107 7.666 -0.220 114 HA TYR 321 HA TYR 321 5.961 5.683 -0.816 115 HB2 TYR 321 HB2 TYR 321 3.772 5.648 -1.762 116 HB3 TYR 321 HB3 TYR 321 3.983 7.233 -2.502 117 HD1 TYR 321 HD1 TYR 321 6.216 4.208 -2.497 118 HD2 TYR 321 HD2 TYR 321 3.845 6.937 -4.817 119 HE1 TYR 321 HE2 TYR 321 7.012 3.130 -4.581 120 HE2 TYR 321 HE1 TYR 321 4.643 5.858 -6.900 121 HH TYR 321 HH TYR 321 7.210 4.145 -7.213 122 H ASN 322 H ASN 322 7.962 5.652 -1.733 123 HA ASN 322 HA ASN 322 9.491 7.966 -2.302 124 HB2 ASN 322 HB2 ASN 322 11.155 6.406 -2.979 125 HB3 ASN 322 HB3 ASN 322 10.172 5.523 -1.817 126 HD21 ASN 322 HD21 ASN 322 9.000 3.666 -2.584 127 HD22 ASN 322 HD22 ASN 322 9.077 3.130 -4.193 128 HA PRO 323 HA PRO 323 8.105 9.096 -6.337 129 HB2 PRO 323 HB2 PRO 323 10.248 10.601 -7.126 130 HB3 PRO 323 HB3 PRO 323 9.062 11.160 -5.931 131 HG2 PRO 323 HG2 PRO 323 11.793 10.072 -5.518 132 HG3 PRO 323 HG3 PRO 323 10.938 11.344 -4.636 133 HD2 PRO 323 HD2 PRO 323 11.240 8.767 -3.734 134 HD3 PRO 323 HD3 PRO 323 9.941 9.866 -3.220 135 HA PRO 324 HA PRO 324 10.339 5.867 -8.572 136 HB2 PRO 324 HB2 PRO 324 8.372 5.404 -10.414 137 HB3 PRO 324 HB3 PRO 324 8.342 4.729 -8.776 138 HG2 PRO 324 HG2 PRO 324 6.833 7.009 -9.910 139 HG3 PRO 324 HG3 PRO 324 6.356 5.843 -8.669 140 HD2 PRO 324 HD2 PRO 324 7.197 8.439 -8.188 141 HD3 PRO 324 HD3 PRO 324 7.182 7.126 -6.993 142 H LEU 325 H LEU 325 10.316 5.587 -11.247 143 HA LEU 325 HA LEU 325 11.576 8.058 -12.231 144 HB2 LEU 325 HB2 LEU 325 11.432 5.192 -12.875 145 HB3 LEU 325 HB3 LEU 325 11.448 6.218 -14.309 146 HG LEU 325 HG LEU 325 13.403 6.684 -12.061 147 HD11 LEU 325 HD11 LEU 325 13.697 4.770 -14.397 148 HD12 LEU 325 HD12 LEU 325 13.678 4.338 -12.687 149 HD13 LEU 325 HD13 LEU 325 15.017 5.280 -13.345 150 HD21 LEU 325 HD21 LEU 325 14.746 7.528 -14.051 151 HD22 LEU 325 HD22 LEU 325 13.289 8.452 -13.690 152 HD23 LEU 325 HD23 LEU 325 13.295 7.301 -15.027 153 H LEU 326 H LEU 326 10.961 8.371 -14.795 154 HA LEU 326 HA LEU 326 8.335 9.548 -14.840 155 HB2 LEU 326 HB2 LEU 326 10.683 9.671 -16.306 156 HB3 LEU 326 HB3 LEU 326 9.577 8.886 -17.430 157 HG LEU 326 HG LEU 326 9.479 11.325 -17.700 158 HD11 LEU 326 HD11 LEU 326 7.401 9.864 -17.902 159 HD12 LEU 326 HD12 LEU 326 7.100 11.576 -17.603 160 HD13 LEU 326 HD13 LEU 326 6.964 10.413 -16.284 161 HD21 LEU 326 HD21 LEU 326 8.271 11.634 -14.976 162 HD22 LEU 326 HD22 LEU 326 9.135 12.816 -15.958 163 HD23 LEU 326 HD23 LEU 326 10.029 11.557 -15.105 164 H GLU 327 H GLU 327 6.559 8.214 -14.688 165 HA GLU 327 HA GLU 327 6.343 5.956 -16.647 166 HB2 GLU 327 HB2 GLU 327 6.835 5.618 -14.010 167 HB3 GLU 327 HB3 GLU 327 5.076 5.717 -13.960 168 HG2 GLU 327 HG2 GLU 327 6.063 4.021 -16.140 169 HG3 GLU 327 HG3 GLU 327 6.534 3.437 -14.544 Start of MODEL 9 1 HA LYS 308 HA LYS 308 -7.810 -9.793 11.245 2 HB2 LYS 308 HB2 LYS 308 -8.452 -7.327 11.175 3 HB3 LYS 308 HB3 LYS 308 -7.281 -7.141 9.869 4 HG2 LYS 308 HG2 LYS 308 -9.071 -9.418 9.443 5 HG3 LYS 308 HG3 LYS 308 -9.942 -7.889 9.566 6 HD2 LYS 308 HD2 LYS 308 -8.553 -6.901 7.827 7 HD3 LYS 308 HD3 LYS 308 -7.551 -8.350 7.760 8 HE2 LYS 308 HE2 LYS 308 -9.810 -9.588 7.247 9 HE3 LYS 308 HE3 LYS 308 -10.380 -7.969 6.795 10 HZ1 LYS 308 HZ1 LYS 308 -9.370 -9.006 4.885 11 HZ2 LYS 308 HZ2 LYS 308 -7.953 -9.344 5.759 12 HZ3 LYS 308 HZ3 LYS 308 -8.374 -7.736 5.405 13 H PHE 309 H PHE 309 -5.302 -7.770 9.632 14 HA PHE 309 HA PHE 309 -4.189 -10.241 8.382 15 HB2 PHE 309 HB2 PHE 309 -5.995 -9.020 6.988 16 HB3 PHE 309 HB3 PHE 309 -4.798 -7.738 6.796 17 HD1 PHE 309 HD1 PHE 309 -5.401 -11.378 6.250 18 HD2 PHE 309 HD2 PHE 309 -2.998 -7.957 5.262 19 HE1 PHE 309 HE1 PHE 309 -4.302 -12.671 4.443 20 HE2 PHE 309 HE2 PHE 309 -1.899 -9.250 3.453 21 HZ PHE 309 HZ PHE 309 -2.553 -11.607 3.043 22 HA PRO 310 HA PRO 310 -0.764 -7.632 9.810 23 HB2 PRO 310 HB2 PRO 310 1.026 -9.684 10.066 24 HB3 PRO 310 HB3 PRO 310 -0.186 -9.302 11.303 25 HG2 PRO 310 HG2 PRO 310 -0.180 -11.456 9.262 26 HG3 PRO 310 HG3 PRO 310 -0.794 -11.471 10.922 27 HD2 PRO 310 HD2 PRO 310 -2.366 -11.218 8.677 28 HD3 PRO 310 HD3 PRO 310 -2.833 -10.674 10.303 29 H ARG 311 H ARG 311 1.371 -7.157 8.830 30 HA ARG 311 HA ARG 311 2.757 -6.742 6.971 31 HB2 ARG 311 HB2 ARG 311 2.926 -9.288 7.512 32 HB3 ARG 311 HB3 ARG 311 1.966 -9.505 6.049 33 HG2 ARG 311 HG2 ARG 311 3.820 -7.786 5.101 34 HG3 ARG 311 HG3 ARG 311 4.777 -8.581 6.352 35 HD2 ARG 311 HD2 ARG 311 5.125 -9.971 4.472 36 HD3 ARG 311 HD3 ARG 311 3.799 -10.797 5.315 37 HE ARG 311 HE ARG 311 2.320 -9.230 3.771 38 HH11 ARG 311 HH11 ARG 311 4.468 -8.253 2.042 39 HH12 ARG 311 HH12 ARG 311 4.533 -9.428 0.771 40 HH21 ARG 311 HH21 ARG 311 2.762 -11.832 2.551 41 HH22 ARG 311 HH22 ARG 311 3.562 -11.463 1.060 42 H ALA 312 H ALA 312 0.613 -5.365 6.453 43 HA ALA 312 HA ALA 312 -0.202 -6.092 3.658 44 HB1 ALA 312 HB1 ALA 312 -2.021 -4.734 5.649 45 HB2 ALA 312 HB2 ALA 312 -1.870 -6.491 5.622 46 HB3 ALA 312 HB3 ALA 312 -2.458 -5.634 4.197 47 H MET 313 H MET 313 1.919 -4.248 4.562 48 HA MET 313 HA MET 313 0.738 -1.614 3.732 49 HB2 MET 313 HB2 MET 313 3.000 -2.418 5.576 50 HB3 MET 313 HB3 MET 313 2.840 -0.768 4.973 51 HG2 MET 313 HG2 MET 313 0.663 -0.530 5.985 52 HG3 MET 313 HG3 MET 313 0.611 -2.243 6.404 53 HE1 MET 313 HE1 MET 313 0.801 -0.405 9.781 54 HE2 MET 313 HE2 MET 313 -0.238 -0.874 8.437 55 HE3 MET 313 HE3 MET 313 0.534 0.710 8.433 56 HA PRO 314 HA PRO 314 3.478 -2.831 0.271 57 HB2 PRO 314 HB2 PRO 314 2.128 -1.366 -1.610 58 HB3 PRO 314 HB3 PRO 314 1.644 -3.000 -1.121 59 HG2 PRO 314 HG2 PRO 314 0.536 -0.367 -0.283 60 HG3 PRO 314 HG3 PRO 314 -0.308 -1.883 -0.640 61 HD2 PRO 314 HD2 PRO 314 0.182 -1.011 1.889 62 HD3 PRO 314 HD3 PRO 314 0.055 -2.732 1.459 63 H ILE 315 H ILE 315 4.357 -1.130 -1.543 64 HA ILE 315 HA ILE 315 5.423 1.186 0.017 65 HB ILE 315 HB ILE 315 6.369 -0.009 -2.605 66 HG12 ILE 315 HG12 ILE 315 6.423 -1.767 -0.919 67 HG13 ILE 315 HG13 ILE 315 8.066 -1.196 -1.189 68 HG21 ILE 315 HG21 ILE 315 7.662 1.796 -0.540 69 HG22 ILE 315 HG22 ILE 315 7.266 2.202 -2.209 70 HG23 ILE 315 HG23 ILE 315 8.541 1.033 -1.866 71 HD11 ILE 315 HD11 ILE 315 6.266 -0.726 1.171 72 HD12 ILE 315 HD12 ILE 315 7.531 0.444 0.794 73 HD13 ILE 315 HD13 ILE 315 7.955 -1.231 1.146 74 H TRP 316 H TRP 316 4.018 0.365 -3.138 75 HA TRP 316 HA TRP 316 3.960 3.010 -4.223 76 HB2 TRP 316 HB2 TRP 316 2.395 2.008 -5.837 77 HB3 TRP 316 HB3 TRP 316 3.720 0.896 -5.505 78 HD1 TRP 316 HD1 TRP 316 3.186 -1.280 -4.058 79 HE1 TRP 316 HE1 TRP 316 0.969 -2.495 -3.540 80 HE3 TRP 316 HE3 TRP 316 -0.152 2.350 -5.398 81 HZ2 TRP 316 HZ2 TRP 316 -1.843 -1.994 -3.676 82 HZ3 TRP 316 HZ3 TRP 316 -2.589 1.953 -5.195 83 HH2 TRP 316 HH2 TRP 316 -3.438 -0.212 -4.335 84 H ALA 317 H ALA 317 1.763 1.335 -2.036 85 HA ALA 317 HA ALA 317 -0.140 3.641 -2.144 86 HB1 ALA 317 HB1 ALA 317 -1.756 2.101 -1.421 87 HB2 ALA 317 HB2 ALA 317 -0.564 1.077 -0.622 88 HB3 ALA 317 HB3 ALA 317 -0.697 1.069 -2.379 89 H ARG 318 H ARG 318 1.633 4.867 -0.915 90 HA ARG 318 HA ARG 318 1.435 4.298 2.024 91 HB2 ARG 318 HB2 ARG 318 3.662 4.115 0.385 92 HB3 ARG 318 HB3 ARG 318 3.817 5.734 1.064 93 HG2 ARG 318 HG2 ARG 318 4.851 4.543 2.746 94 HG3 ARG 318 HG3 ARG 318 3.187 4.433 3.319 95 HD2 ARG 318 HD2 ARG 318 3.112 2.186 2.964 96 HD3 ARG 318 HD3 ARG 318 3.869 2.339 1.368 97 HE ARG 318 HE ARG 318 6.070 2.463 2.510 98 HH11 ARG 318 HH11 ARG 318 5.032 -0.210 3.267 99 HH12 ARG 318 HH12 ARG 318 5.201 -0.212 4.992 100 HH21 ARG 318 HH21 ARG 318 5.549 3.241 5.218 101 HH22 ARG 318 HH22 ARG 318 5.497 1.752 6.101 102 HA PRO 319 HA PRO 319 -0.192 8.455 2.004 103 HB2 PRO 319 HB2 PRO 319 -0.250 8.788 4.727 104 HB3 PRO 319 HB3 PRO 319 -1.469 7.850 3.840 105 HG2 PRO 319 HG2 PRO 319 0.906 6.897 5.368 106 HG3 PRO 319 HG3 PRO 319 -0.732 6.227 5.297 107 HD2 PRO 319 HD2 PRO 319 1.338 5.169 3.914 108 HD3 PRO 319 HD3 PRO 319 -0.338 5.118 3.321 109 H ASP 320 H ASP 320 2.558 7.495 4.016 110 HA ASP 320 HA ASP 320 3.767 10.214 3.675 111 HB2 ASP 320 HB2 ASP 320 3.246 8.829 5.950 112 HB3 ASP 320 HB3 ASP 320 4.858 8.210 5.593 113 H TYR 321 H TYR 321 3.810 8.279 1.549 114 HA TYR 321 HA TYR 321 5.812 6.469 1.188 115 HB2 TYR 321 HB2 TYR 321 4.232 7.263 -0.528 116 HB3 TYR 321 HB3 TYR 321 5.111 8.787 -0.642 117 HD1 TYR 321 HD1 TYR 321 5.643 5.085 -0.915 118 HD2 TYR 321 HD2 TYR 321 6.857 9.004 -2.186 119 HE1 TYR 321 HE1 TYR 321 7.200 4.072 -2.555 120 HE2 TYR 321 HE2 TYR 321 8.412 7.990 -3.828 121 HH TYR 321 HH TYR 321 9.598 5.211 -3.759 122 H ASN 322 H ASN 322 7.917 6.467 1.718 123 HA ASN 322 HA ASN 322 9.441 8.863 2.314 124 HB2 ASN 322 HB2 ASN 322 10.301 5.982 1.857 125 HB3 ASN 322 HB3 ASN 322 11.241 7.218 2.692 126 HD21 ASN 322 HD21 ASN 322 9.406 4.587 3.391 127 HD22 ASN 322 HD22 ASN 322 8.737 5.072 4.874 128 HA PRO 323 HA PRO 323 11.118 9.739 -1.661 129 HB2 PRO 323 HB2 PRO 323 13.640 10.595 -1.012 130 HB3 PRO 323 HB3 PRO 323 12.181 11.563 -0.719 131 HG2 PRO 323 HG2 PRO 323 13.751 9.887 1.178 132 HG3 PRO 323 HG3 PRO 323 12.996 11.469 1.430 133 HD2 PRO 323 HD2 PRO 323 11.903 9.145 2.315 134 HD3 PRO 323 HD3 PRO 323 10.933 10.564 1.858 135 HA PRO 324 HA PRO 324 13.205 5.818 -2.373 136 HB2 PRO 324 HB2 PRO 324 12.853 5.807 -5.087 137 HB3 PRO 324 HB3 PRO 324 11.581 5.348 -3.943 138 HG2 PRO 324 HG2 PRO 324 11.960 7.887 -5.436 139 HG3 PRO 324 HG3 PRO 324 10.467 7.037 -5.016 140 HD2 PRO 324 HD2 PRO 324 11.407 9.246 -3.690 141 HD3 PRO 324 HD3 PRO 324 10.324 8.035 -2.973 142 H LEU 325 H LEU 325 14.852 5.250 -4.380 143 HA LEU 325 HA LEU 325 16.778 7.545 -4.588 144 HB2 LEU 325 HB2 LEU 325 17.031 5.228 -3.096 145 HB3 LEU 325 HB3 LEU 325 17.884 4.813 -4.582 146 HG LEU 325 HG LEU 325 19.447 5.819 -2.993 147 HD11 LEU 325 HD11 LEU 325 20.398 7.474 -4.428 148 HD12 LEU 325 HD12 LEU 325 18.823 7.901 -5.098 149 HD13 LEU 325 HD13 LEU 325 19.556 6.346 -5.490 150 HD21 LEU 325 HD21 LEU 325 19.117 7.928 -1.979 151 HD22 LEU 325 HD22 LEU 325 17.528 7.169 -1.879 152 HD23 LEU 325 HD23 LEU 325 17.851 8.379 -3.121 153 H LEU 326 H LEU 326 16.331 8.090 -6.744 154 HA LEU 326 HA LEU 326 16.343 7.905 -9.094 155 HB2 LEU 326 HB2 LEU 326 18.675 7.083 -8.190 156 HB3 LEU 326 HB3 LEU 326 18.113 5.499 -8.724 157 HG LEU 326 HG LEU 326 17.467 6.992 -10.900 158 HD11 LEU 326 HD11 LEU 326 19.282 8.554 -11.367 159 HD12 LEU 326 HD12 LEU 326 20.045 8.174 -9.823 160 HD13 LEU 326 HD13 LEU 326 18.496 9.017 -9.858 161 HD21 LEU 326 HD21 LEU 326 19.525 6.083 -11.917 162 HD22 LEU 326 HD22 LEU 326 18.765 4.885 -10.870 163 HD23 LEU 326 HD23 LEU 326 20.185 5.772 -10.312 164 H GLU 327 H GLU 327 14.094 6.680 -7.962 165 HA GLU 327 HA GLU 327 13.747 4.266 -9.714 166 HB2 GLU 327 HB2 GLU 327 12.783 4.812 -6.886 167 HB3 GLU 327 HB3 GLU 327 12.225 3.450 -7.859 168 HG2 GLU 327 HG2 GLU 327 15.028 3.381 -8.059 169 HG3 GLU 327 HG3 GLU 327 14.701 3.737 -6.364 Start of MODEL 10 1 HA LYS 308 HA LYS 308 -5.643 -9.938 -3.043 2 HB2 LYS 308 HB2 LYS 308 -4.568 -10.155 -5.363 3 HB3 LYS 308 HB3 LYS 308 -3.478 -8.859 -4.868 4 HG2 LYS 308 HG2 LYS 308 -2.214 -10.308 -3.700 5 HG3 LYS 308 HG3 LYS 308 -3.620 -10.839 -2.776 6 HD2 LYS 308 HD2 LYS 308 -3.805 -12.744 -3.973 7 HD3 LYS 308 HD3 LYS 308 -3.651 -11.884 -5.504 8 HE2 LYS 308 HE2 LYS 308 -1.177 -12.179 -3.841 9 HE3 LYS 308 HE3 LYS 308 -1.767 -13.607 -4.713 10 HZ1 LYS 308 HZ1 LYS 308 -0.290 -12.213 -6.087 11 HZ2 LYS 308 HZ2 LYS 308 -1.382 -10.920 -5.932 12 HZ3 LYS 308 HZ3 LYS 308 -1.848 -12.340 -6.743 13 H PHE 309 H PHE 309 -4.934 -9.301 -1.036 14 HA PHE 309 HA PHE 309 -3.444 -6.711 -0.794 15 HB2 PHE 309 HB2 PHE 309 -5.808 -7.723 0.824 16 HB3 PHE 309 HB3 PHE 309 -4.871 -6.287 1.232 17 HD1 PHE 309 HD1 PHE 309 -4.731 -4.392 -0.479 18 HD2 PHE 309 HD2 PHE 309 -7.533 -7.633 -0.801 19 HE1 PHE 309 HE2 PHE 309 -6.097 -3.055 -2.057 20 HE2 PHE 309 HE1 PHE 309 -8.898 -6.295 -2.380 21 HZ PHE 309 HZ PHE 309 -8.180 -4.007 -3.008 22 HA PRO 310 HA PRO 310 -0.944 -9.461 1.673 23 HB2 PRO 310 HB2 PRO 310 1.055 -7.679 2.210 24 HB3 PRO 310 HB3 PRO 310 0.872 -8.483 0.640 25 HG2 PRO 310 HG2 PRO 310 0.256 -5.706 1.417 26 HG3 PRO 310 HG3 PRO 310 0.728 -6.364 -0.154 27 HD2 PRO 310 HD2 PRO 310 -1.867 -5.650 0.650 28 HD3 PRO 310 HD3 PRO 310 -1.424 -6.577 -0.799 29 H ARG 311 H ARG 311 -3.111 -7.523 2.903 30 HA ARG 311 HA ARG 311 -3.760 -6.811 5.052 31 HB2 ARG 311 HB2 ARG 311 -2.845 -9.363 5.128 32 HB3 ARG 311 HB3 ARG 311 -1.737 -8.615 6.279 33 HG2 ARG 311 HG2 ARG 311 -4.197 -7.538 6.982 34 HG3 ARG 311 HG3 ARG 311 -4.592 -9.204 6.562 35 HD2 ARG 311 HD2 ARG 311 -3.095 -10.088 8.191 36 HD3 ARG 311 HD3 ARG 311 -2.279 -8.525 8.398 37 HE ARG 311 HE ARG 311 -4.391 -7.663 9.404 38 HH11 ARG 311 HH11 ARG 311 -6.373 -9.629 8.539 39 HH12 ARG 311 HH12 ARG 311 -6.532 -10.679 9.908 40 HH21 ARG 311 HH21 ARG 311 -3.559 -9.631 11.377 41 HH22 ARG 311 HH22 ARG 311 -4.929 -10.679 11.524 42 H ALA 312 H ALA 312 -1.464 -5.386 3.760 43 HA ALA 312 HA ALA 312 -0.500 -3.953 6.144 44 HB1 ALA 312 HB1 ALA 312 1.841 -4.461 5.751 45 HB2 ALA 312 HB2 ALA 312 1.448 -5.331 4.269 46 HB3 ALA 312 HB3 ALA 312 0.969 -5.991 5.832 47 H MET 313 H MET 313 1.189 -2.206 5.286 48 HA MET 313 HA MET 313 -0.076 -0.883 2.951 49 HB2 MET 313 HB2 MET 313 0.425 0.171 5.231 50 HB3 MET 313 HB3 MET 313 2.128 0.110 4.778 51 HG2 MET 313 HG2 MET 313 1.744 1.530 2.865 52 HG3 MET 313 HG3 MET 313 -0.002 1.446 3.089 53 HE1 MET 313 HE1 MET 313 -0.921 3.662 3.552 54 HE2 MET 313 HE2 MET 313 -0.905 4.205 5.229 55 HE3 MET 313 HE3 MET 313 -1.341 2.540 4.853 56 HA PRO 314 HA PRO 314 3.381 -2.491 0.563 57 HB2 PRO 314 HB2 PRO 314 2.458 -1.651 -1.871 58 HB3 PRO 314 HB3 PRO 314 1.878 -3.116 -1.061 59 HG2 PRO 314 HG2 PRO 314 0.620 -0.437 -1.257 60 HG3 PRO 314 HG3 PRO 314 -0.131 -2.038 -1.271 61 HD2 PRO 314 HD2 PRO 314 -0.096 -0.374 0.909 62 HD3 PRO 314 HD3 PRO 314 -0.247 -2.141 1.004 63 H ILE 315 H ILE 315 4.775 -1.410 -1.246 64 HA ILE 315 HA ILE 315 5.830 1.090 -0.210 65 HB ILE 315 HB ILE 315 6.810 -1.066 -1.492 66 HG12 ILE 315 HG12 ILE 315 8.217 0.543 -0.362 67 HG13 ILE 315 HG13 ILE 315 8.846 0.295 -1.988 68 HG21 ILE 315 HG21 ILE 315 6.578 1.021 -3.678 69 HG22 ILE 315 HG22 ILE 315 5.667 -0.488 -3.618 70 HG23 ILE 315 HG23 ILE 315 7.421 -0.525 -3.791 71 HD11 ILE 315 HD11 ILE 315 8.886 2.632 -1.769 72 HD12 ILE 315 HD12 ILE 315 7.358 2.669 -0.891 73 HD13 ILE 315 HD13 ILE 315 7.371 2.345 -2.624 74 H TRP 316 H TRP 316 3.789 0.225 -2.933 75 HA TRP 316 HA TRP 316 3.923 2.928 -4.099 76 HB2 TRP 316 HB2 TRP 316 2.421 1.891 -5.806 77 HB3 TRP 316 HB3 TRP 316 3.893 0.959 -5.544 78 HD1 TRP 316 HD1 TRP 316 3.682 -1.428 -4.514 79 HE1 TRP 316 HE1 TRP 316 1.664 -2.949 -3.969 80 HE3 TRP 316 HE3 TRP 316 -0.123 1.945 -4.980 81 HZ2 TRP 316 HZ2 TRP 316 -1.185 -2.751 -3.755 82 HZ3 TRP 316 HZ3 TRP 316 -2.472 1.259 -4.598 83 HH2 TRP 316 HH2 TRP 316 -3.006 -1.080 -3.985 84 H ALA 317 H ALA 317 2.082 1.468 -1.640 85 HA ALA 317 HA ALA 317 -0.104 3.488 -2.034 86 HB1 ALA 317 HB1 ALA 317 -0.527 1.004 -0.432 87 HB2 ALA 317 HB2 ALA 317 -0.407 0.824 -2.182 88 HB3 ALA 317 HB3 ALA 317 -1.651 1.862 -1.485 89 H ARG 318 H ARG 318 1.619 4.788 -0.751 90 HA ARG 318 HA ARG 318 1.233 4.326 2.192 91 HB2 ARG 318 HB2 ARG 318 3.637 4.845 0.486 92 HB3 ARG 318 HB3 ARG 318 3.610 5.573 2.091 93 HG2 ARG 318 HG2 ARG 318 3.599 3.516 3.177 94 HG3 ARG 318 HG3 ARG 318 2.880 2.679 1.801 95 HD2 ARG 318 HD2 ARG 318 4.956 2.033 1.170 96 HD3 ARG 318 HD3 ARG 318 5.370 3.737 0.905 97 HE ARG 318 HE ARG 318 6.441 3.764 3.023 98 HH11 ARG 318 HH11 ARG 318 6.289 0.639 2.260 99 HH12 ARG 318 HH12 ARG 318 6.033 0.006 3.851 100 HH21 ARG 318 HH21 ARG 318 5.317 3.105 5.255 101 HH22 ARG 318 HH22 ARG 318 5.477 1.406 5.552 102 HA PRO 319 HA PRO 319 0.011 8.554 2.508 103 HB2 PRO 319 HB2 PRO 319 1.493 9.524 4.604 104 HB3 PRO 319 HB3 PRO 319 0.119 8.420 4.818 105 HG2 PRO 319 HG2 PRO 319 3.042 7.816 4.775 106 HG3 PRO 319 HG3 PRO 319 1.777 7.186 5.846 107 HD2 PRO 319 HD2 PRO 319 2.734 5.763 3.768 108 HD3 PRO 319 HD3 PRO 319 1.039 5.650 4.293 109 H ASP 320 H ASP 320 3.511 8.052 2.615 110 HA ASP 320 HA ASP 320 3.966 10.652 1.211 111 HB2 ASP 320 HB2 ASP 320 5.122 9.614 3.431 112 HB3 ASP 320 HB3 ASP 320 6.194 8.935 2.205 113 H TYR 321 H TYR 321 2.848 8.377 -0.203 114 HA TYR 321 HA TYR 321 4.446 6.600 -1.562 115 HB2 TYR 321 HB2 TYR 321 2.063 6.777 -1.906 116 HB3 TYR 321 HB3 TYR 321 2.222 8.409 -2.550 117 HD1 TYR 321 HD1 TYR 321 4.023 5.174 -3.231 118 HD2 TYR 321 HD2 TYR 321 1.741 8.449 -4.823 119 HE1 TYR 321 HE1 TYR 321 4.298 4.256 -5.517 120 HE2 TYR 321 HE2 TYR 321 2.017 7.529 -7.109 121 HH TYR 321 HH TYR 321 2.921 4.452 -7.753 122 H ASN 322 H ASN 322 6.254 6.780 -2.764 123 HA ASN 322 HA ASN 322 7.495 9.274 -3.478 124 HB2 ASN 322 HB2 ASN 322 7.886 6.381 -4.306 125 HB3 ASN 322 HB3 ASN 322 8.979 7.670 -4.807 126 HD21 ASN 322 HD21 ASN 322 8.198 5.509 -2.210 127 HD22 ASN 322 HD22 ASN 322 9.277 6.153 -1.069 128 HA PRO 323 HA PRO 323 5.766 10.217 -7.409 129 HB2 PRO 323 HB2 PRO 323 7.953 10.838 -8.944 130 HB3 PRO 323 HB3 PRO 323 7.329 11.897 -7.664 131 HG2 PRO 323 HG2 PRO 323 9.623 9.996 -7.594 132 HG3 PRO 323 HG3 PRO 323 9.487 11.624 -6.909 133 HD2 PRO 323 HD2 PRO 323 9.243 9.384 -5.410 134 HD3 PRO 323 HD3 PRO 323 8.376 10.890 -5.035 135 HA PRO 324 HA PRO 324 5.997 6.329 -9.572 136 HB2 PRO 324 HB2 PRO 324 4.103 6.888 -11.468 137 HB3 PRO 324 HB3 PRO 324 3.703 6.471 -9.793 138 HG2 PRO 324 HG2 PRO 324 3.784 9.134 -11.112 139 HG3 PRO 324 HG3 PRO 324 2.657 8.508 -9.899 140 HD2 PRO 324 HD2 PRO 324 4.719 10.209 -9.328 141 HD3 PRO 324 HD3 PRO 324 4.021 9.070 -8.156 142 H LEU 325 H LEU 325 5.775 5.939 -12.251 143 HA LEU 325 HA LEU 325 6.982 6.051 -14.272 144 HB2 LEU 325 HB2 LEU 325 6.745 8.929 -13.377 145 HB3 LEU 325 HB3 LEU 325 7.528 8.506 -14.899 146 HG LEU 325 HG LEU 325 5.226 7.017 -15.037 147 HD11 LEU 325 HD11 LEU 325 4.120 7.894 -13.145 148 HD12 LEU 325 HD12 LEU 325 3.456 8.828 -14.485 149 HD13 LEU 325 HD13 LEU 325 4.702 9.530 -13.452 150 HD21 LEU 325 HD21 LEU 325 4.422 8.888 -16.544 151 HD22 LEU 325 HD22 LEU 325 6.070 8.348 -16.868 152 HD23 LEU 325 HD23 LEU 325 5.791 9.844 -15.976 153 H LEU 326 H LEU 326 8.725 4.842 -13.059 154 HA LEU 326 HA LEU 326 11.266 6.389 -13.133 155 HB2 LEU 326 HB2 LEU 326 11.846 5.531 -10.870 156 HB3 LEU 326 HB3 LEU 326 10.406 6.547 -10.830 157 HG LEU 326 HG LEU 326 9.733 3.753 -11.342 158 HD11 LEU 326 HD11 LEU 326 11.786 3.397 -9.976 159 HD12 LEU 326 HD12 LEU 326 10.325 2.877 -9.138 160 HD13 LEU 326 HD13 LEU 326 11.090 4.406 -8.708 161 HD21 LEU 326 HD21 LEU 326 9.028 5.684 -9.105 162 HD22 LEU 326 HD22 LEU 326 8.177 4.184 -9.476 163 HD23 LEU 326 HD23 LEU 326 8.150 5.521 -10.626 164 H GLU 327 H GLU 327 10.235 4.338 -14.913 165 HA GLU 327 HA GLU 327 11.797 1.898 -14.199 166 HB2 GLU 327 HB2 GLU 327 9.774 2.537 -16.373 167 HB3 GLU 327 HB3 GLU 327 10.518 0.956 -16.139 168 HG2 GLU 327 HG2 GLU 327 9.533 1.778 -13.604 169 HG3 GLU 327 HG3 GLU 327 8.250 2.087 -14.773 Start of MODEL 11 1 HA LYS 308 HA LYS 308 -2.194 -13.546 13.958 2 HB2 LYS 308 HB2 LYS 308 -3.867 -13.903 15.893 3 HB3 LYS 308 HB3 LYS 308 -5.007 -12.974 14.918 4 HG2 LYS 308 HG2 LYS 308 -4.997 -14.579 13.172 5 HG3 LYS 308 HG3 LYS 308 -3.533 -15.352 13.780 6 HD2 LYS 308 HD2 LYS 308 -5.160 -16.836 14.534 7 HD3 LYS 308 HD3 LYS 308 -5.004 -15.769 15.931 8 HE2 LYS 308 HE2 LYS 308 -6.882 -14.419 14.452 9 HE3 LYS 308 HE3 LYS 308 -7.285 -16.107 14.081 10 HZ1 LYS 308 HZ1 LYS 308 -7.179 -16.594 16.469 11 HZ2 LYS 308 HZ2 LYS 308 -8.372 -15.434 16.122 12 HZ3 LYS 308 HZ3 LYS 308 -6.888 -14.954 16.796 13 H PHE 309 H PHE 309 -2.696 -13.391 11.764 14 HA PHE 309 HA PHE 309 -3.227 -12.337 9.723 15 HB2 PHE 309 HB2 PHE 309 -5.488 -12.390 11.489 16 HB3 PHE 309 HB3 PHE 309 -5.554 -10.897 10.556 17 HD1 PHE 309 HD1 PHE 309 -5.567 -14.578 10.384 18 HD2 PHE 309 HD2 PHE 309 -5.770 -10.929 8.124 19 HE1 PHE 309 HE2 PHE 309 -6.336 -15.850 8.397 20 HE2 PHE 309 HE1 PHE 309 -6.539 -12.200 6.140 21 HZ PHE 309 HZ PHE 309 -6.823 -14.660 6.277 22 HA PRO 310 HA PRO 310 -1.527 -8.290 11.301 23 HB2 PRO 310 HB2 PRO 310 0.811 -8.395 9.878 24 HB3 PRO 310 HB3 PRO 310 0.630 -9.101 11.496 25 HG2 PRO 310 HG2 PRO 310 0.573 -10.431 8.834 26 HG3 PRO 310 HG3 PRO 310 1.286 -10.984 10.357 27 HD2 PRO 310 HD2 PRO 310 -1.097 -11.894 9.400 28 HD3 PRO 310 HD3 PRO 310 -0.694 -11.832 11.130 29 H ARG 311 H ARG 311 -1.281 -6.322 10.005 30 HA ARG 311 HA ARG 311 -2.655 -6.492 7.383 31 HB2 ARG 311 HB2 ARG 311 -1.882 -4.321 9.336 32 HB3 ARG 311 HB3 ARG 311 -2.468 -3.918 7.723 33 HG2 ARG 311 HG2 ARG 311 -4.029 -5.891 9.348 34 HG3 ARG 311 HG3 ARG 311 -4.161 -4.179 9.752 35 HD2 ARG 311 HD2 ARG 311 -4.383 -4.909 6.859 36 HD3 ARG 311 HD3 ARG 311 -5.762 -5.288 7.910 37 HE ARG 311 HE ARG 311 -4.604 -2.553 7.551 38 HH11 ARG 311 HH11 ARG 311 -5.849 -2.721 10.184 39 HH12 ARG 311 HH12 ARG 311 -7.513 -2.355 9.877 40 HH21 ARG 311 HH21 ARG 311 -7.278 -2.945 6.458 41 HH22 ARG 311 HH22 ARG 311 -8.327 -2.484 7.757 42 H ALA 312 H ALA 312 -1.443 -6.639 5.543 43 HA ALA 312 HA ALA 312 1.428 -5.875 5.591 44 HB1 ALA 312 HB1 ALA 312 1.508 -7.175 3.542 45 HB2 ALA 312 HB2 ALA 312 -0.252 -7.164 3.417 46 HB3 ALA 312 HB3 ALA 312 0.534 -8.069 4.710 47 H MET 313 H MET 313 2.039 -3.886 4.846 48 HA MET 313 HA MET 313 0.207 -2.436 2.962 49 HB2 MET 313 HB2 MET 313 1.930 -1.660 5.290 50 HB3 MET 313 HB3 MET 313 1.664 -0.470 4.015 51 HG2 MET 313 HG2 MET 313 -0.650 -1.972 5.232 52 HG3 MET 313 HG3 MET 313 -0.008 -0.519 6.000 53 HE1 MET 313 HE1 MET 313 -3.207 0.861 4.413 54 HE2 MET 313 HE2 MET 313 -2.095 1.035 5.769 55 HE3 MET 313 HE3 MET 313 -2.812 -0.536 5.423 56 HA PRO 314 HA PRO 314 3.668 -3.004 0.179 57 HB2 PRO 314 HB2 PRO 314 2.546 -1.706 -1.956 58 HB3 PRO 314 HB3 PRO 314 2.127 -3.366 -1.498 59 HG2 PRO 314 HG2 PRO 314 0.660 -0.832 -0.976 60 HG3 PRO 314 HG3 PRO 314 0.032 -2.435 -1.390 61 HD2 PRO 314 HD2 PRO 314 0.018 -1.419 1.141 62 HD3 PRO 314 HD3 PRO 314 0.080 -3.158 0.779 63 H ILE 315 H ILE 315 4.638 -1.236 -1.571 64 HA ILE 315 HA ILE 315 5.421 1.081 0.115 65 HB ILE 315 HB ILE 315 6.476 0.228 -2.595 66 HG12 ILE 315 HG12 ILE 315 8.187 -0.586 -0.436 67 HG13 ILE 315 HG13 ILE 315 6.577 -1.247 -0.152 68 HG21 ILE 315 HG21 ILE 315 8.527 1.358 -1.798 69 HG22 ILE 315 HG22 ILE 315 7.708 1.775 -0.294 70 HG23 ILE 315 HG23 ILE 315 7.152 2.463 -1.819 71 HD11 ILE 315 HD11 ILE 315 8.175 -1.514 -2.715 72 HD12 ILE 315 HD12 ILE 315 6.550 -2.149 -2.457 73 HD13 ILE 315 HD13 ILE 315 7.906 -2.791 -1.528 74 H TRP 316 H TRP 316 4.095 0.411 -3.114 75 HA TRP 316 HA TRP 316 3.885 3.104 -4.019 76 HB2 TRP 316 HB2 TRP 316 2.415 2.148 -5.710 77 HB3 TRP 316 HB3 TRP 316 3.724 1.016 -5.388 78 HD1 TRP 316 HD1 TRP 316 3.117 -1.310 -4.406 79 HE1 TRP 316 HE1 TRP 316 0.895 -2.502 -3.872 80 HE3 TRP 316 HE3 TRP 316 -0.123 2.614 -4.852 81 HZ2 TRP 316 HZ2 TRP 316 -1.887 -1.877 -3.665 82 HZ3 TRP 316 HZ3 TRP 316 -2.550 2.287 -4.484 83 HH2 TRP 316 HH2 TRP 316 -3.436 0.049 -3.890 84 H ALA 317 H ALA 317 1.891 1.335 -1.754 85 HA ALA 317 HA ALA 317 -0.265 3.390 -1.955 86 HB1 ALA 317 HB1 ALA 317 -0.101 0.836 -0.322 87 HB2 ALA 317 HB2 ALA 317 -0.724 0.911 -1.971 88 HB3 ALA 317 HB3 ALA 317 -1.553 1.772 -0.675 89 H ARG 318 H ARG 318 1.541 4.892 -0.983 90 HA ARG 318 HA ARG 318 1.223 4.871 1.989 91 HB2 ARG 318 HB2 ARG 318 3.603 4.455 0.408 92 HB3 ARG 318 HB3 ARG 318 3.766 5.941 1.342 93 HG2 ARG 318 HG2 ARG 318 4.299 4.646 3.111 94 HG3 ARG 318 HG3 ARG 318 2.609 4.140 3.137 95 HD2 ARG 318 HD2 ARG 318 3.795 2.090 2.994 96 HD3 ARG 318 HD3 ARG 318 3.352 2.415 1.306 97 HE ARG 318 HE ARG 318 5.622 3.039 0.856 98 HH11 ARG 318 HH11 ARG 318 6.150 0.733 2.771 99 HH12 ARG 318 HH12 ARG 318 7.311 1.439 3.845 100 HH21 ARG 318 HH21 ARG 318 6.623 4.701 2.863 101 HH22 ARG 318 HH22 ARG 318 7.577 3.694 3.898 102 HA PRO 319 HA PRO 319 0.411 9.158 1.521 103 HB2 PRO 319 HB2 PRO 319 1.621 10.271 3.706 104 HB3 PRO 319 HB3 PRO 319 0.145 9.293 3.801 105 HG2 PRO 319 HG2 PRO 319 2.946 8.555 4.437 106 HG3 PRO 319 HG3 PRO 319 1.436 8.028 5.193 107 HD2 PRO 319 HD2 PRO 319 2.905 6.539 3.397 108 HD3 PRO 319 HD3 PRO 319 1.181 6.297 3.750 109 H ASP 320 H ASP 320 3.787 9.096 2.760 110 HA ASP 320 HA ASP 320 4.558 10.850 0.446 111 HB2 ASP 320 HB2 ASP 320 4.470 11.394 3.221 112 HB3 ASP 320 HB3 ASP 320 6.179 11.231 2.815 113 H TYR 321 H TYR 321 4.849 7.959 0.504 114 HA TYR 321 HA TYR 321 7.533 7.210 1.278 115 HB2 TYR 321 HB2 TYR 321 6.950 5.104 0.280 116 HB3 TYR 321 HB3 TYR 321 5.486 5.731 1.024 117 HD1 TYR 321 HD1 TYR 321 3.758 6.907 -0.463 118 HD2 TYR 321 HD2 TYR 321 7.063 4.665 -2.040 119 HE1 TYR 321 HE2 TYR 321 2.604 6.744 -2.645 120 HE2 TYR 321 HE1 TYR 321 5.903 4.496 -4.221 121 HH TYR 321 HH TYR 321 3.470 6.397 -5.166 122 H ASN 322 H ASN 322 9.022 6.218 -0.492 123 HA ASN 322 HA ASN 322 10.015 8.305 -2.163 124 HB2 ASN 322 HB2 ASN 322 11.699 6.766 -2.634 125 HB3 ASN 322 HB3 ASN 322 11.037 6.079 -1.155 126 HD21 ASN 322 HD21 ASN 322 9.692 4.114 -1.362 127 HD22 ASN 322 HD22 ASN 322 9.707 3.198 -2.788 128 HA PRO 323 HA PRO 323 7.500 7.995 -5.769 129 HB2 PRO 323 HB2 PRO 323 9.250 8.979 -7.636 130 HB3 PRO 323 HB3 PRO 323 8.423 10.004 -6.445 131 HG2 PRO 323 HG2 PRO 323 11.204 8.936 -6.414 132 HG3 PRO 323 HG3 PRO 323 10.601 10.530 -5.933 133 HD2 PRO 323 HD2 PRO 323 11.216 8.576 -4.148 134 HD3 PRO 323 HD3 PRO 323 9.971 9.809 -3.848 135 HA PRO 324 HA PRO 324 9.107 4.038 -7.208 136 HB2 PRO 324 HB2 PRO 324 6.722 3.109 -8.169 137 HB3 PRO 324 HB3 PRO 324 7.151 3.072 -6.450 138 HG2 PRO 324 HG2 PRO 324 5.353 4.917 -7.910 139 HG3 PRO 324 HG3 PRO 324 5.246 4.308 -6.252 140 HD2 PRO 324 HD2 PRO 324 6.140 6.828 -6.974 141 HD3 PRO 324 HD3 PRO 324 6.480 6.024 -5.427 142 H LEU 325 H LEU 325 8.387 2.828 -9.486 143 HA LEU 325 HA LEU 325 8.669 2.886 -11.826 144 HB2 LEU 325 HB2 LEU 325 6.534 4.454 -11.070 145 HB3 LEU 325 HB3 LEU 325 7.476 5.581 -12.046 146 HG LEU 325 HG LEU 325 6.733 2.788 -12.962 147 HD11 LEU 325 HD11 LEU 325 5.029 3.899 -14.359 148 HD12 LEU 325 HD12 LEU 325 5.433 5.449 -13.620 149 HD13 LEU 325 HD13 LEU 325 4.711 4.169 -12.645 150 HD21 LEU 325 HD21 LEU 325 7.259 3.907 -15.214 151 HD22 LEU 325 HD22 LEU 325 8.638 3.579 -14.165 152 HD23 LEU 325 HD23 LEU 325 7.983 5.213 -14.274 153 H LEU 326 H LEU 326 11.015 3.545 -10.655 154 HA LEU 326 HA LEU 326 11.953 6.036 -12.041 155 HB2 LEU 326 HB2 LEU 326 12.240 4.957 -9.376 156 HB3 LEU 326 HB3 LEU 326 13.831 5.112 -10.119 157 HG LEU 326 HG LEU 326 13.183 7.186 -8.934 158 HD11 LEU 326 HD11 LEU 326 13.090 7.656 -11.922 159 HD12 LEU 326 HD12 LEU 326 14.564 7.179 -11.080 160 HD13 LEU 326 HD13 LEU 326 13.777 8.706 -10.682 161 HD21 LEU 326 HD21 LEU 326 11.268 8.455 -9.536 162 HD22 LEU 326 HD22 LEU 326 10.684 6.794 -9.442 163 HD23 LEU 326 HD23 LEU 326 11.014 7.526 -11.013 164 H GLU 327 H GLU 327 12.594 5.172 -14.039 165 HA GLU 327 HA GLU 327 14.917 3.302 -13.962 166 HB2 GLU 327 HB2 GLU 327 13.828 2.034 -15.851 167 HB3 GLU 327 HB3 GLU 327 12.962 1.906 -14.321 168 HG2 GLU 327 HG2 GLU 327 11.132 2.959 -15.148 169 HG3 GLU 327 HG3 GLU 327 12.101 4.205 -15.933 Start of MODEL 12 1 HA LYS 308 HA LYS 308 -0.828 4.040 17.125 2 HB2 LYS 308 HB2 LYS 308 0.150 5.112 19.185 3 HB3 LYS 308 HB3 LYS 308 0.736 3.524 19.678 4 HG2 LYS 308 HG2 LYS 308 1.910 3.404 17.408 5 HG3 LYS 308 HG3 LYS 308 1.542 5.122 17.238 6 HD2 LYS 308 HD2 LYS 308 2.740 5.591 19.346 7 HD3 LYS 308 HD3 LYS 308 3.107 3.875 19.520 8 HE2 LYS 308 HE2 LYS 308 3.901 4.719 16.880 9 HE3 LYS 308 HE3 LYS 308 4.611 5.815 18.080 10 HZ1 LYS 308 HZ1 LYS 308 5.490 3.995 19.294 11 HZ2 LYS 308 HZ2 LYS 308 5.905 3.722 17.670 12 HZ3 LYS 308 HZ3 LYS 308 4.625 2.859 18.376 13 H PHE 309 H PHE 309 -1.199 2.127 15.926 14 HA PHE 309 HA PHE 309 0.397 -0.255 16.787 15 HB2 PHE 309 HB2 PHE 309 -2.469 0.058 16.633 16 HB3 PHE 309 HB3 PHE 309 -1.947 -1.149 15.459 17 HD1 PHE 309 HD1 PHE 309 -0.688 -3.157 16.186 18 HD2 PHE 309 HD2 PHE 309 -2.250 -0.322 19.011 19 HE1 PHE 309 HE1 PHE 309 -0.371 -4.803 18.014 20 HE2 PHE 309 HE2 PHE 309 -1.935 -1.969 20.838 21 HZ PHE 309 HZ PHE 309 -0.994 -4.209 20.339 22 HA PRO 310 HA PRO 310 1.621 0.482 12.522 23 HB2 PRO 310 HB2 PRO 310 3.748 -1.239 12.549 24 HB3 PRO 310 HB3 PRO 310 3.817 0.392 13.245 25 HG2 PRO 310 HG2 PRO 310 3.488 -2.231 14.603 26 HG3 PRO 310 HG3 PRO 310 4.387 -0.797 15.118 27 HD2 PRO 310 HD2 PRO 310 1.922 -1.498 16.090 28 HD3 PRO 310 HD3 PRO 310 2.551 0.163 16.074 29 H ARG 311 H ARG 311 1.385 -0.770 10.582 30 HA ARG 311 HA ARG 311 0.640 -3.645 10.890 31 HB2 ARG 311 HB2 ARG 311 -1.400 -3.247 9.572 32 HB3 ARG 311 HB3 ARG 311 -1.402 -2.232 11.012 33 HG2 ARG 311 HG2 ARG 311 -1.568 -0.388 9.736 34 HG3 ARG 311 HG3 ARG 311 -0.072 -0.810 8.903 35 HD2 ARG 311 HD2 ARG 311 -1.534 -0.875 7.097 36 HD3 ARG 311 HD3 ARG 311 -1.726 -2.545 7.666 37 HE ARG 311 HE ARG 311 -3.567 -0.308 8.453 38 HH11 ARG 311 HH11 ARG 311 -3.663 -2.934 6.511 39 HH12 ARG 311 HH12 ARG 311 -4.908 -3.792 7.354 40 HH21 ARG 311 HH21 ARG 311 -4.835 -1.704 10.132 41 HH22 ARG 311 HH22 ARG 311 -5.573 -3.094 9.410 42 H ALA 312 H ALA 312 0.661 -4.793 8.771 43 HA ALA 312 HA ALA 312 2.967 -4.159 7.180 44 HB1 ALA 312 HB1 ALA 312 0.586 -5.975 6.677 45 HB2 ALA 312 HB2 ALA 312 2.064 -6.421 7.529 46 HB3 ALA 312 HB3 ALA 312 2.118 -6.053 5.805 47 H MET 313 H MET 313 3.151 -2.834 5.405 48 HA MET 313 HA MET 313 0.671 -2.076 3.908 49 HB2 MET 313 HB2 MET 313 2.559 -0.424 5.494 50 HB3 MET 313 HB3 MET 313 2.105 0.242 3.926 51 HG2 MET 313 HG2 MET 313 -0.044 0.629 4.571 52 HG3 MET 313 HG3 MET 313 -0.142 -0.877 5.484 53 HE1 MET 313 HE1 MET 313 0.141 2.623 5.253 54 HE2 MET 313 HE2 MET 313 1.820 2.764 5.769 55 HE3 MET 313 HE3 MET 313 0.528 3.299 6.841 56 HA PRO 314 HA PRO 314 3.260 -2.696 0.395 57 HB2 PRO 314 HB2 PRO 314 1.975 -1.134 -1.444 58 HB3 PRO 314 HB3 PRO 314 1.329 -2.680 -0.867 59 HG2 PRO 314 HG2 PRO 314 0.548 0.083 -0.146 60 HG3 PRO 314 HG3 PRO 314 -0.441 -1.378 -0.257 61 HD2 PRO 314 HD2 PRO 314 0.481 -0.247 2.095 62 HD3 PRO 314 HD3 PRO 314 -0.076 -1.923 1.911 63 H ILE 315 H ILE 315 4.145 -1.115 -1.554 64 HA ILE 315 HA ILE 315 5.640 1.057 -0.151 65 HB ILE 315 HB ILE 315 6.123 -0.357 -2.796 66 HG12 ILE 315 HG12 ILE 315 6.300 -1.982 -1.018 67 HG13 ILE 315 HG13 ILE 315 7.940 -1.526 -1.474 68 HG21 ILE 315 HG21 ILE 315 8.349 0.604 -2.686 69 HG22 ILE 315 HG22 ILE 315 8.011 1.305 -1.103 70 HG23 ILE 315 HG23 ILE 315 7.172 1.909 -2.532 71 HD11 ILE 315 HD11 ILE 315 7.726 0.256 0.413 72 HD12 ILE 315 HD12 ILE 315 7.994 -1.423 0.877 73 HD13 ILE 315 HD13 ILE 315 6.376 -0.729 0.976 74 H TRP 316 H TRP 316 3.947 0.405 -3.209 75 HA TRP 316 HA TRP 316 4.023 3.133 -4.154 76 HB2 TRP 316 HB2 TRP 316 2.521 2.266 -5.886 77 HB3 TRP 316 HB3 TRP 316 3.804 1.102 -5.576 78 HD1 TRP 316 HD1 TRP 316 3.158 -1.164 -4.341 79 HE1 TRP 316 HE1 TRP 316 0.893 -2.348 -3.986 80 HE3 TRP 316 HE3 TRP 316 -0.034 2.663 -5.470 81 HZ2 TRP 316 HZ2 TRP 316 -1.899 -1.752 -4.157 82 HZ3 TRP 316 HZ3 TRP 316 -2.487 2.327 -5.367 83 HH2 TRP 316 HH2 TRP 316 -3.422 0.127 -4.712 84 H ALA 317 H ALA 317 1.734 1.313 -2.182 85 HA ALA 317 HA ALA 317 -0.157 3.629 -2.187 86 HB1 ALA 317 HB1 ALA 317 -0.289 0.703 -1.875 87 HB2 ALA 317 HB2 ALA 317 -1.537 1.828 -2.411 88 HB3 ALA 317 HB3 ALA 317 -1.260 1.575 -0.688 89 H ARG 318 H ARG 318 1.635 4.752 -0.866 90 HA ARG 318 HA ARG 318 1.287 4.098 2.037 91 HB2 ARG 318 HB2 ARG 318 3.679 4.394 0.309 92 HB3 ARG 318 HB3 ARG 318 3.781 5.182 1.885 93 HG2 ARG 318 HG2 ARG 318 2.616 2.520 2.095 94 HG3 ARG 318 HG3 ARG 318 4.219 2.474 1.362 95 HD2 ARG 318 HD2 ARG 318 3.624 4.004 3.914 96 HD3 ARG 318 HD3 ARG 318 4.240 2.340 3.894 97 HE ARG 318 HE ARG 318 5.838 3.969 2.146 98 HH11 ARG 318 HH11 ARG 318 5.778 5.806 4.466 99 HH12 ARG 318 HH12 ARG 318 7.063 5.213 5.463 100 HH21 ARG 318 HH21 ARG 318 7.233 2.133 3.853 101 HH22 ARG 318 HH22 ARG 318 7.890 3.121 5.114 102 HA PRO 319 HA PRO 319 0.107 8.384 2.143 103 HB2 PRO 319 HB2 PRO 319 0.012 8.651 4.866 104 HB3 PRO 319 HB3 PRO 319 -1.257 7.838 3.928 105 HG2 PRO 319 HG2 PRO 319 0.965 6.667 5.521 106 HG3 PRO 319 HG3 PRO 319 -0.705 6.112 5.335 107 HD2 PRO 319 HD2 PRO 319 1.414 4.995 4.026 108 HD3 PRO 319 HD3 PRO 319 -0.251 4.976 3.405 109 H ASP 320 H ASP 320 2.703 7.196 4.270 110 HA ASP 320 HA ASP 320 4.108 9.830 4.004 111 HB2 ASP 320 HB2 ASP 320 4.307 7.550 6.004 112 HB3 ASP 320 HB3 ASP 320 5.325 8.988 6.044 113 H TYR 321 H TYR 321 4.144 7.838 1.875 114 HA TYR 321 HA TYR 321 6.423 6.127 1.918 115 HB2 TYR 321 HB2 TYR 321 4.526 6.045 0.317 116 HB3 TYR 321 HB3 TYR 321 5.066 7.566 -0.385 117 HD1 TYR 321 HD1 TYR 321 7.149 4.691 0.793 118 HD2 TYR 321 HD2 TYR 321 5.734 6.961 -2.569 119 HE1 TYR 321 HE2 TYR 321 8.708 3.465 -0.690 120 HE2 TYR 321 HE1 TYR 321 7.295 5.734 -4.052 121 HH TYR 321 HH TYR 321 8.475 3.144 -3.737 122 H ASN 322 H ASN 322 8.563 6.555 1.655 123 HA ASN 322 HA ASN 322 9.530 9.306 1.520 124 HB2 ASN 322 HB2 ASN 322 11.684 8.259 1.834 125 HB3 ASN 322 HB3 ASN 322 10.533 7.346 2.805 126 HD21 ASN 322 HD21 ASN 322 10.155 5.125 2.232 127 HD22 ASN 322 HD22 ASN 322 10.972 4.352 0.961 128 HA PRO 323 HA PRO 323 10.013 9.594 -2.847 129 HB2 PRO 323 HB2 PRO 323 12.244 11.168 -3.047 130 HB3 PRO 323 HB3 PRO 323 10.662 11.790 -2.532 131 HG2 PRO 323 HG2 PRO 323 13.036 11.067 -0.894 132 HG3 PRO 323 HG3 PRO 323 11.887 12.398 -0.692 133 HD2 PRO 323 HD2 PRO 323 11.829 10.098 0.785 134 HD3 PRO 323 HD3 PRO 323 10.401 11.108 0.468 135 HA PRO 324 HA PRO 324 13.036 6.271 -3.356 136 HB2 PRO 324 HB2 PRO 324 11.981 5.301 -5.684 137 HB3 PRO 324 HB3 PRO 324 11.313 4.918 -4.087 138 HG2 PRO 324 HG2 PRO 324 10.343 6.834 -6.134 139 HG3 PRO 324 HG3 PRO 324 9.427 5.823 -5.007 140 HD2 PRO 324 HD2 PRO 324 9.889 8.520 -4.675 141 HD3 PRO 324 HD3 PRO 324 9.490 7.391 -3.364 142 H LEU 325 H LEU 325 14.182 5.556 -5.621 143 HA LEU 325 HA LEU 325 15.224 8.095 -6.823 144 HB2 LEU 325 HB2 LEU 325 17.247 6.763 -7.245 145 HB3 LEU 325 HB3 LEU 325 16.783 6.624 -5.551 146 HG LEU 325 HG LEU 325 15.462 4.578 -7.128 147 HD11 LEU 325 HD11 LEU 325 18.493 4.514 -7.165 148 HD12 LEU 325 HD12 LEU 325 17.503 4.923 -8.566 149 HD13 LEU 325 HD13 LEU 325 17.398 3.314 -7.850 150 HD21 LEU 325 HD21 LEU 325 16.302 3.156 -5.398 151 HD22 LEU 325 HD22 LEU 325 15.958 4.700 -4.618 152 HD23 LEU 325 HD23 LEU 325 17.619 4.268 -5.025 153 H LEU 326 H LEU 326 12.742 6.666 -7.715 154 HA LEU 326 HA LEU 326 13.577 5.661 -10.405 155 HB2 LEU 326 HB2 LEU 326 11.488 5.080 -8.431 156 HB3 LEU 326 HB3 LEU 326 10.827 5.292 -10.050 157 HG LEU 326 HG LEU 326 11.425 2.937 -9.660 158 HD11 LEU 326 HD11 LEU 326 11.871 4.275 -11.902 159 HD12 LEU 326 HD12 LEU 326 12.409 2.604 -11.735 160 HD13 LEU 326 HD13 LEU 326 13.558 3.925 -11.520 161 HD21 LEU 326 HD21 LEU 326 14.273 3.942 -9.361 162 HD22 LEU 326 HD22 LEU 326 13.723 2.271 -9.244 163 HD23 LEU 326 HD23 LEU 326 13.256 3.440 -8.010 164 H GLU 327 H GLU 327 13.990 8.194 -10.648 165 HA GLU 327 HA GLU 327 11.553 9.331 -11.950 166 HB2 GLU 327 HB2 GLU 327 12.156 11.529 -10.857 167 HB3 GLU 327 HB3 GLU 327 11.627 10.288 -9.725 168 HG2 GLU 327 HG2 GLU 327 13.674 10.146 -8.730 169 HG3 GLU 327 HG3 GLU 327 14.537 10.314 -10.258 Start of MODEL 13 1 HA LYS 308 HA LYS 308 -8.814 -8.861 4.905 2 HB2 LYS 308 HB2 LYS 308 -10.080 -8.395 2.270 3 HB3 LYS 308 HB3 LYS 308 -8.338 -8.672 2.208 4 HG2 LYS 308 HG2 LYS 308 -8.593 -10.755 3.472 5 HG3 LYS 308 HG3 LYS 308 -10.328 -10.471 3.627 6 HD2 LYS 308 HD2 LYS 308 -10.739 -10.906 1.373 7 HD3 LYS 308 HD3 LYS 308 -9.089 -10.516 0.891 8 HE2 LYS 308 HE2 LYS 308 -9.496 -12.853 2.732 9 HE3 LYS 308 HE3 LYS 308 -9.882 -13.055 1.012 10 HZ1 LYS 308 HZ1 LYS 308 -7.515 -13.503 1.545 11 HZ2 LYS 308 HZ2 LYS 308 -7.341 -11.884 2.027 12 HZ3 LYS 308 HZ3 LYS 308 -7.720 -12.257 0.413 13 H PHE 309 H PHE 309 -6.802 -8.020 5.321 14 HA PHE 309 HA PHE 309 -5.931 -5.547 3.893 15 HB2 PHE 309 HB2 PHE 309 -6.871 -5.760 6.594 16 HB3 PHE 309 HB3 PHE 309 -5.145 -5.400 6.643 17 HD1 PHE 309 HD1 PHE 309 -4.248 -3.353 5.597 18 HD2 PHE 309 HD2 PHE 309 -8.464 -4.181 5.665 19 HE1 PHE 309 HE2 PHE 309 -4.721 -0.996 4.996 20 HE2 PHE 309 HE1 PHE 309 -8.935 -1.822 5.063 21 HZ PHE 309 HZ PHE 309 -7.065 -0.229 4.729 22 HA PRO 310 HA PRO 310 -2.252 -8.052 3.807 23 HB2 PRO 310 HB2 PRO 310 -0.640 -6.243 2.539 24 HB3 PRO 310 HB3 PRO 310 -1.888 -7.178 1.694 25 HG2 PRO 310 HG2 PRO 310 -1.924 -4.350 2.585 26 HG3 PRO 310 HG3 PRO 310 -2.643 -5.093 1.150 27 HD2 PRO 310 HD2 PRO 310 -4.032 -4.395 3.429 28 HD3 PRO 310 HD3 PRO 310 -4.574 -5.593 2.234 29 H ARG 311 H ARG 311 0.283 -7.349 4.232 30 HA ARG 311 HA ARG 311 0.422 -6.562 7.016 31 HB2 ARG 311 HB2 ARG 311 2.345 -7.183 4.781 32 HB3 ARG 311 HB3 ARG 311 2.962 -6.520 6.294 33 HG2 ARG 311 HG2 ARG 311 2.993 -8.675 7.006 34 HG3 ARG 311 HG3 ARG 311 1.251 -8.477 7.195 35 HD2 ARG 311 HD2 ARG 311 0.926 -10.082 5.631 36 HD3 ARG 311 HD3 ARG 311 1.757 -9.067 4.437 37 HE ARG 311 HE ARG 311 3.895 -10.088 5.177 38 HH11 ARG 311 HH11 ARG 311 3.215 -11.138 7.830 39 HH12 ARG 311 HH12 ARG 311 2.935 -12.821 7.537 40 HH21 ARG 311 HH21 ARG 311 2.554 -12.426 4.104 41 HH22 ARG 311 HH22 ARG 311 2.561 -13.555 5.418 42 H ALA 312 H ALA 312 -0.440 -4.425 7.186 43 HA ALA 312 HA ALA 312 -0.378 -2.069 7.159 44 HB1 ALA 312 HB1 ALA 312 1.796 -1.194 7.451 45 HB2 ALA 312 HB2 ALA 312 2.514 -2.366 6.345 46 HB3 ALA 312 HB3 ALA 312 1.976 -2.877 7.945 47 H MET 313 H MET 313 1.242 -0.368 5.475 48 HA MET 313 HA MET 313 -0.222 -0.694 2.923 49 HB2 MET 313 HB2 MET 313 1.345 1.441 4.346 50 HB3 MET 313 HB3 MET 313 1.055 1.601 2.615 51 HG2 MET 313 HG2 MET 313 -1.090 2.198 2.956 52 HG3 MET 313 HG3 MET 313 -1.370 0.801 3.994 53 HE1 MET 313 HE1 MET 313 -3.056 2.528 4.780 54 HE2 MET 313 HE2 MET 313 -2.777 3.390 6.291 55 HE3 MET 313 HE3 MET 313 -2.613 1.637 6.244 56 HA PRO 314 HA PRO 314 3.296 -2.330 0.812 57 HB2 PRO 314 HB2 PRO 314 2.596 -1.700 -1.754 58 HB3 PRO 314 HB3 PRO 314 1.823 -3.001 -0.832 59 HG2 PRO 314 HG2 PRO 314 0.849 -0.262 -1.420 60 HG3 PRO 314 HG3 PRO 314 -0.053 -1.778 -1.289 61 HD2 PRO 314 HD2 PRO 314 0.053 0.151 0.671 62 HD3 PRO 314 HD3 PRO 314 -0.327 -1.560 0.958 63 H ILE 315 H ILE 315 4.678 -1.442 -1.307 64 HA ILE 315 HA ILE 315 5.930 1.045 -0.347 65 HB ILE 315 HB ILE 315 6.603 -0.555 -2.827 66 HG12 ILE 315 HG12 ILE 315 6.404 -2.179 -1.009 67 HG13 ILE 315 HG13 ILE 315 8.108 -1.914 -1.365 68 HG21 ILE 315 HG21 ILE 315 7.849 1.503 -2.595 69 HG22 ILE 315 HG22 ILE 315 8.925 0.169 -2.178 70 HG23 ILE 315 HG23 ILE 315 8.205 1.152 -0.903 71 HD11 ILE 315 HD11 ILE 315 8.224 -1.664 0.912 72 HD12 ILE 315 HD12 ILE 315 6.538 -1.165 1.047 73 HD13 ILE 315 HD13 ILE 315 7.760 -0.009 0.516 74 H TRP 316 H TRP 316 3.475 0.286 -2.590 75 HA TRP 316 HA TRP 316 3.970 2.791 -4.145 76 HB2 TRP 316 HB2 TRP 316 2.590 1.722 -5.865 77 HB3 TRP 316 HB3 TRP 316 3.857 0.607 -5.357 78 HD1 TRP 316 HD1 TRP 316 3.152 -1.571 -4.078 79 HE1 TRP 316 HE1 TRP 316 0.872 -2.690 -3.629 80 HE3 TRP 316 HE3 TRP 316 0.018 2.236 -5.409 81 HZ2 TRP 316 HZ2 TRP 316 -1.913 -2.054 -3.810 82 HZ3 TRP 316 HZ3 TRP 316 -2.439 1.954 -5.261 83 HH2 TRP 316 HH2 TRP 316 -3.406 -0.182 -4.463 84 H ALA 317 H ALA 317 2.005 1.529 -1.660 85 HA ALA 317 HA ALA 317 -0.013 3.697 -2.126 86 HB1 ALA 317 HB1 ALA 317 -0.402 0.946 -2.303 87 HB2 ALA 317 HB2 ALA 317 -1.671 2.149 -2.080 88 HB3 ALA 317 HB3 ALA 317 -0.973 1.336 -0.681 89 H ARG 318 H ARG 318 1.667 4.777 -0.609 90 HA ARG 318 HA ARG 318 0.957 4.151 2.232 91 HB2 ARG 318 HB2 ARG 318 3.542 4.356 0.824 92 HB3 ARG 318 HB3 ARG 318 3.471 5.268 2.333 93 HG2 ARG 318 HG2 ARG 318 2.647 3.240 3.502 94 HG3 ARG 318 HG3 ARG 318 2.786 2.332 1.997 95 HD2 ARG 318 HD2 ARG 318 4.921 1.867 2.611 96 HD3 ARG 318 HD3 ARG 318 5.290 3.576 2.309 97 HE ARG 318 HE ARG 318 4.692 4.023 4.695 98 HH11 ARG 318 HH11 ARG 318 7.105 2.326 4.850 99 HH12 ARG 318 HH12 ARG 318 6.616 1.050 5.915 100 HH21 ARG 318 HH21 ARG 318 3.223 1.702 5.570 101 HH22 ARG 318 HH22 ARG 318 4.413 0.695 6.324 102 HA PRO 319 HA PRO 319 -0.085 8.380 2.622 103 HB2 PRO 319 HB2 PRO 319 0.738 8.963 5.167 104 HB3 PRO 319 HB3 PRO 319 -0.680 7.961 4.800 105 HG2 PRO 319 HG2 PRO 319 2.053 7.136 5.627 106 HG3 PRO 319 HG3 PRO 319 0.485 6.440 6.053 107 HD2 PRO 319 HD2 PRO 319 2.182 5.372 4.192 108 HD3 PRO 319 HD3 PRO 319 0.423 5.123 4.197 109 H ASP 320 H ASP 320 2.917 8.426 4.561 110 HA ASP 320 HA ASP 320 4.009 10.467 2.650 111 HB2 ASP 320 HB2 ASP 320 3.232 10.656 5.375 112 HB3 ASP 320 HB3 ASP 320 4.992 10.747 5.347 113 H TYR 321 H TYR 321 4.635 7.633 2.488 114 HA TYR 321 HA TYR 321 7.146 7.086 3.835 115 HB2 TYR 321 HB2 TYR 321 6.987 5.024 2.736 116 HB3 TYR 321 HB3 TYR 321 5.302 5.523 2.804 117 HD1 TYR 321 HD1 TYR 321 4.474 6.970 0.720 118 HD2 TYR 321 HD2 TYR 321 7.887 4.358 0.693 119 HE1 TYR 321 HE2 TYR 321 4.344 6.825 -1.747 120 HE2 TYR 321 HE1 TYR 321 7.753 4.214 -1.777 121 HH TYR 321 HH TYR 321 5.795 4.513 -3.530 122 H ASN 322 H ASN 322 9.090 6.448 2.326 123 HA ASN 322 HA ASN 322 10.244 8.774 1.207 124 HB2 ASN 322 HB2 ASN 322 11.935 7.192 0.353 125 HB3 ASN 322 HB3 ASN 322 11.438 6.739 1.981 126 HD21 ASN 322 HD21 ASN 322 10.532 4.650 2.258 127 HD22 ASN 322 HD22 ASN 322 10.182 3.596 0.974 128 HA PRO 323 HA PRO 323 8.689 9.096 -2.890 129 HB2 PRO 323 HB2 PRO 323 10.923 9.697 -4.361 130 HB3 PRO 323 HB3 PRO 323 10.150 10.850 -3.254 131 HG2 PRO 323 HG2 PRO 323 12.569 9.164 -2.844 132 HG3 PRO 323 HG3 PRO 323 12.257 10.832 -2.342 133 HD2 PRO 323 HD2 PRO 323 12.094 8.708 -0.650 134 HD3 PRO 323 HD3 PRO 323 11.139 10.194 -0.447 135 HA PRO 324 HA PRO 324 9.308 5.044 -4.614 136 HB2 PRO 324 HB2 PRO 324 7.680 5.327 -6.796 137 HB3 PRO 324 HB3 PRO 324 7.064 5.077 -5.155 138 HG2 PRO 324 HG2 PRO 324 7.271 7.586 -6.738 139 HG3 PRO 324 HG3 PRO 324 5.998 7.053 -5.630 140 HD2 PRO 324 HD2 PRO 324 7.917 8.878 -4.966 141 HD3 PRO 324 HD3 PRO 324 7.096 7.835 -3.784 142 H LEU 325 H LEU 325 9.485 4.339 -7.217 143 HA LEU 325 HA LEU 325 10.928 4.297 -9.080 144 HB2 LEU 325 HB2 LEU 325 9.658 6.654 -9.075 145 HB3 LEU 325 HB3 LEU 325 11.297 7.259 -8.835 146 HG LEU 325 HG LEU 325 10.846 5.202 -10.965 147 HD11 LEU 325 HD11 LEU 325 9.059 6.704 -11.492 148 HD12 LEU 325 HD12 LEU 325 10.399 7.148 -12.551 149 HD13 LEU 325 HD13 LEU 325 10.048 8.117 -11.119 150 HD21 LEU 325 HD21 LEU 325 13.117 5.996 -10.436 151 HD22 LEU 325 HD22 LEU 325 12.608 7.663 -10.707 152 HD23 LEU 325 HD23 LEU 325 12.646 6.522 -12.052 153 H LEU 326 H LEU 326 12.549 3.235 -7.649 154 HA LEU 326 HA LEU 326 15.023 4.875 -7.454 155 HB2 LEU 326 HB2 LEU 326 15.337 4.033 -5.103 156 HB3 LEU 326 HB3 LEU 326 13.946 5.101 -5.281 157 HG LEU 326 HG LEU 326 13.364 2.233 -5.720 158 HD11 LEU 326 HD11 LEU 326 15.034 2.170 -3.853 159 HD12 LEU 326 HD12 LEU 326 13.425 1.641 -3.362 160 HD13 LEU 326 HD13 LEU 326 13.991 3.255 -2.935 161 HD21 LEU 326 HD21 LEU 326 12.110 4.381 -3.976 162 HD22 LEU 326 HD22 LEU 326 11.386 2.824 -4.384 163 HD23 LEU 326 HD23 LEU 326 11.647 4.032 -5.641 164 H GLU 327 H GLU 327 14.889 3.116 -9.422 165 HA GLU 327 HA GLU 327 15.665 0.393 -8.606 166 HB2 GLU 327 HB2 GLU 327 14.546 1.689 -10.857 167 HB3 GLU 327 HB3 GLU 327 16.107 1.069 -11.395 168 HG2 GLU 327 HG2 GLU 327 15.175 -0.973 -11.568 169 HG3 GLU 327 HG3 GLU 327 14.972 -0.981 -9.817 Start of MODEL 14 1 HA LYS 308 HA LYS 308 -0.985 -17.243 2.279 2 HB2 LYS 308 HB2 LYS 308 -2.922 -17.198 3.787 3 HB3 LYS 308 HB3 LYS 308 -1.701 -18.295 4.428 4 HG2 LYS 308 HG2 LYS 308 -1.076 -16.812 6.137 5 HG3 LYS 308 HG3 LYS 308 -1.740 -15.411 5.298 6 HD2 LYS 308 HD2 LYS 308 -4.035 -16.403 5.611 7 HD3 LYS 308 HD3 LYS 308 -3.299 -17.648 6.620 8 HE2 LYS 308 HE2 LYS 308 -3.270 -16.245 8.400 9 HE3 LYS 308 HE3 LYS 308 -2.394 -15.019 7.463 10 HZ1 LYS 308 HZ1 LYS 308 -5.308 -15.534 7.184 11 HZ2 LYS 308 HZ2 LYS 308 -4.419 -14.257 6.500 12 HZ3 LYS 308 HZ3 LYS 308 -4.663 -14.320 8.179 13 H PHE 309 H PHE 309 -2.502 -15.561 1.586 14 HA PHE 309 HA PHE 309 -3.138 -13.363 1.069 15 HB2 PHE 309 HB2 PHE 309 -2.157 -13.211 3.903 16 HB3 PHE 309 HB3 PHE 309 -2.518 -11.712 3.052 17 HD1 PHE 309 HD1 PHE 309 -3.954 -15.038 3.958 18 HD2 PHE 309 HD2 PHE 309 -4.749 -10.990 2.755 19 HE1 PHE 309 HE2 PHE 309 -6.375 -15.397 4.349 20 HE2 PHE 309 HE1 PHE 309 -7.171 -11.352 3.147 21 HZ PHE 309 HZ PHE 309 -7.984 -13.554 3.944 22 HA PRO 310 HA PRO 310 0.446 -11.558 -0.720 23 HB2 PRO 310 HB2 PRO 310 -0.499 -9.064 -1.326 24 HB3 PRO 310 HB3 PRO 310 -0.994 -10.524 -2.206 25 HG2 PRO 310 HG2 PRO 310 -2.439 -8.995 -0.113 26 HG3 PRO 310 HG3 PRO 310 -3.068 -9.835 -1.537 27 HD2 PRO 310 HD2 PRO 310 -3.171 -10.817 1.032 28 HD3 PRO 310 HD3 PRO 310 -3.251 -11.815 -0.436 29 H ARG 311 H ARG 311 1.747 -9.331 -0.573 30 HA ARG 311 HA ARG 311 2.477 -8.950 2.227 31 HB2 ARG 311 HB2 ARG 311 3.779 -8.831 -0.142 32 HB3 ARG 311 HB3 ARG 311 3.434 -7.115 0.076 33 HG2 ARG 311 HG2 ARG 311 4.334 -7.522 2.509 34 HG3 ARG 311 HG3 ARG 311 5.094 -8.943 1.792 35 HD2 ARG 311 HD2 ARG 311 5.393 -6.295 0.396 36 HD3 ARG 311 HD3 ARG 311 6.399 -6.643 1.814 37 HE ARG 311 HE ARG 311 6.792 -8.921 0.481 38 HH11 ARG 311 HH11 ARG 311 8.561 -6.405 0.103 39 HH12 ARG 311 HH12 ARG 311 8.693 -6.372 -1.622 40 HH21 ARG 311 HH21 ARG 311 6.069 -8.598 -2.125 41 HH22 ARG 311 HH22 ARG 311 7.276 -7.619 -2.889 42 H ALA 312 H ALA 312 0.880 -7.865 3.397 43 HA ALA 312 HA ALA 312 -0.753 -5.719 2.391 44 HB1 ALA 312 HB1 ALA 312 -1.314 -7.177 4.303 45 HB2 ALA 312 HB2 ALA 312 -1.329 -5.482 4.793 46 HB3 ALA 312 HB3 ALA 312 0.041 -6.510 5.214 47 H MET 313 H MET 313 -0.679 -3.453 3.235 48 HA MET 313 HA MET 313 0.440 -1.388 3.414 49 HB2 MET 313 HB2 MET 313 1.728 -3.319 5.298 50 HB3 MET 313 HB3 MET 313 2.525 -1.764 5.065 51 HG2 MET 313 HG2 MET 313 0.159 -0.748 5.435 52 HG3 MET 313 HG3 MET 313 -0.237 -2.318 6.130 53 HE1 MET 313 HE1 MET 313 -0.778 -0.597 8.385 54 HE2 MET 313 HE2 MET 313 0.262 -1.366 9.582 55 HE3 MET 313 HE3 MET 313 -0.512 -2.346 8.340 56 HA PRO 314 HA PRO 314 3.694 -2.836 0.359 57 HB2 PRO 314 HB2 PRO 314 2.568 -1.722 -1.873 58 HB3 PRO 314 HB3 PRO 314 2.208 -3.369 -1.323 59 HG2 PRO 314 HG2 PRO 314 0.618 -0.878 -1.005 60 HG3 PRO 314 HG3 PRO 314 0.073 -2.534 -1.312 61 HD2 PRO 314 HD2 PRO 314 -0.029 -1.325 1.140 62 HD3 PRO 314 HD3 PRO 314 0.080 -3.082 0.903 63 H ILE 315 H ILE 315 4.710 -1.157 -1.404 64 HA ILE 315 HA ILE 315 5.259 1.320 0.141 65 HB ILE 315 HB ILE 315 6.533 0.247 -2.391 66 HG12 ILE 315 HG12 ILE 315 8.108 -0.113 0.004 67 HG13 ILE 315 HG13 ILE 315 6.539 -0.894 0.202 68 HG21 ILE 315 HG21 ILE 315 6.891 2.685 -1.668 69 HG22 ILE 315 HG22 ILE 315 8.343 1.712 -1.898 70 HG23 ILE 315 HG23 ILE 315 7.746 2.030 -0.271 71 HD11 ILE 315 HD11 ILE 315 8.294 -2.357 -0.862 72 HD12 ILE 315 HD12 ILE 315 8.285 -1.256 -2.241 73 HD13 ILE 315 HD13 ILE 315 6.828 -2.161 -1.824 74 H TRP 316 H TRP 316 4.079 0.338 -3.063 75 HA TRP 316 HA TRP 316 3.884 2.932 -4.225 76 HB2 TRP 316 HB2 TRP 316 2.469 1.826 -5.854 77 HB3 TRP 316 HB3 TRP 316 3.727 0.695 -5.369 78 HD1 TRP 316 HD1 TRP 316 3.017 -1.471 -4.104 79 HE1 TRP 316 HE1 TRP 316 0.734 -2.543 -3.567 80 HE3 TRP 316 HE3 TRP 316 -0.082 2.428 -5.234 81 HZ2 TRP 316 HZ2 TRP 316 -2.039 -1.840 -3.606 82 HZ3 TRP 316 HZ3 TRP 316 -2.536 2.200 -4.978 83 HH2 TRP 316 HH2 TRP 316 -3.517 0.074 -4.165 84 H ALA 317 H ALA 317 1.923 1.402 -1.797 85 HA ALA 317 HA ALA 317 -0.147 3.559 -2.076 86 HB1 ALA 317 HB1 ALA 317 -0.225 0.837 -0.724 87 HB2 ALA 317 HB2 ALA 317 -0.909 1.210 -2.306 88 HB3 ALA 317 HB3 ALA 317 -1.585 1.952 -0.856 89 H ARG 318 H ARG 318 1.667 4.865 -0.920 90 HA ARG 318 HA ARG 318 1.397 4.503 2.048 91 HB2 ARG 318 HB2 ARG 318 3.818 5.341 0.410 92 HB3 ARG 318 HB3 ARG 318 3.766 5.273 2.169 93 HG2 ARG 318 HG2 ARG 318 3.131 2.860 0.466 94 HG3 ARG 318 HG3 ARG 318 4.779 3.243 0.958 95 HD2 ARG 318 HD2 ARG 318 2.461 2.895 2.888 96 HD3 ARG 318 HD3 ARG 318 3.669 1.648 2.530 97 HE ARG 318 HE ARG 318 5.328 3.632 3.194 98 HH11 ARG 318 HH11 ARG 318 3.279 1.748 4.992 99 HH12 ARG 318 HH12 ARG 318 3.237 2.771 6.389 100 HH21 ARG 318 HH21 ARG 318 4.867 5.418 4.831 101 HH22 ARG 318 HH22 ARG 318 4.144 4.853 6.299 102 HA PRO 319 HA PRO 319 0.262 8.771 2.149 103 HB2 PRO 319 HB2 PRO 319 1.467 9.595 4.473 104 HB3 PRO 319 HB3 PRO 319 0.006 8.586 4.448 105 HG2 PRO 319 HG2 PRO 319 2.854 7.784 4.832 106 HG3 PRO 319 HG3 PRO 319 1.404 7.221 5.678 107 HD2 PRO 319 HD2 PRO 319 2.581 5.780 3.726 108 HD3 PRO 319 HD3 PRO 319 0.822 5.760 3.992 109 H ASP 320 H ASP 320 3.643 7.967 2.742 110 HA ASP 320 HA ASP 320 4.501 10.486 1.358 111 HB2 ASP 320 HB2 ASP 320 5.803 8.731 3.472 112 HB3 ASP 320 HB3 ASP 320 6.625 10.076 2.683 113 H TYR 321 H TYR 321 3.679 8.017 0.011 114 HA TYR 321 HA TYR 321 5.757 6.249 -0.713 115 HB2 TYR 321 HB2 TYR 321 3.489 5.783 -1.294 116 HB3 TYR 321 HB3 TYR 321 3.299 7.331 -2.110 117 HD1 TYR 321 HD1 TYR 321 5.947 4.669 -2.336 118 HD2 TYR 321 HD2 TYR 321 2.934 6.949 -4.378 119 HE1 TYR 321 HE1 TYR 321 6.616 3.630 -4.482 120 HE2 TYR 321 HE2 TYR 321 3.601 5.908 -6.523 121 HH TYR 321 HH TYR 321 5.434 3.175 -6.756 122 H ASN 322 H ASN 322 7.360 6.318 -2.259 123 HA ASN 322 HA ASN 322 8.646 8.730 -2.976 124 HB2 ASN 322 HB2 ASN 322 8.652 6.006 -4.325 125 HB3 ASN 322 HB3 ASN 322 9.881 7.249 -4.557 126 HD21 ASN 322 HD21 ASN 322 9.035 4.553 -2.618 127 HD22 ASN 322 HD22 ASN 322 10.142 4.821 -1.359 128 HA PRO 323 HA PRO 323 6.185 10.215 -6.333 129 HB2 PRO 323 HB2 PRO 323 8.047 11.788 -7.583 130 HB3 PRO 323 HB3 PRO 323 7.259 12.244 -6.059 131 HG2 PRO 323 HG2 PRO 323 9.965 11.097 -6.519 132 HG3 PRO 323 HG3 PRO 323 9.444 12.333 -5.364 133 HD2 PRO 323 HD2 PRO 323 9.901 9.731 -4.684 134 HD3 PRO 323 HD3 PRO 323 8.767 10.789 -3.818 135 HA PRO 324 HA PRO 324 7.592 7.157 -9.346 136 HB2 PRO 324 HB2 PRO 324 5.181 6.908 -10.615 137 HB3 PRO 324 HB3 PRO 324 5.563 6.086 -9.091 138 HG2 PRO 324 HG2 PRO 324 3.939 8.523 -9.571 139 HG3 PRO 324 HG3 PRO 324 3.718 7.234 -8.379 140 HD2 PRO 324 HD2 PRO 324 4.786 9.709 -7.823 141 HD3 PRO 324 HD3 PRO 324 5.072 8.246 -6.857 142 H LEU 325 H LEU 325 6.953 7.123 -11.923 143 HA LEU 325 HA LEU 325 8.081 9.554 -13.030 144 HB2 LEU 325 HB2 LEU 325 7.584 6.867 -13.786 145 HB3 LEU 325 HB3 LEU 325 6.747 7.872 -14.969 146 HG LEU 325 HG LEU 325 9.075 9.234 -14.804 147 HD11 LEU 325 HD11 LEU 325 9.968 7.548 -13.167 148 HD12 LEU 325 HD12 LEU 325 10.944 7.694 -14.627 149 HD13 LEU 325 HD13 LEU 325 9.850 6.325 -14.431 150 HD21 LEU 325 HD21 LEU 325 9.797 7.764 -16.796 151 HD22 LEU 325 HD22 LEU 325 8.224 8.549 -16.917 152 HD23 LEU 325 HD23 LEU 325 8.325 6.841 -16.494 153 H LEU 326 H LEU 326 6.988 10.895 -14.704 154 HA LEU 326 HA LEU 326 4.083 11.297 -14.072 155 HB2 LEU 326 HB2 LEU 326 6.448 13.018 -14.542 156 HB3 LEU 326 HB3 LEU 326 4.967 13.580 -15.313 157 HG LEU 326 HG LEU 326 5.136 14.551 -13.081 158 HD11 LEU 326 HD11 LEU 326 2.909 13.604 -14.042 159 HD12 LEU 326 HD12 LEU 326 2.965 14.053 -12.338 160 HD13 LEU 326 HD13 LEU 326 3.091 12.357 -12.807 161 HD21 LEU 326 HD21 LEU 326 5.298 13.204 -11.085 162 HD22 LEU 326 HD22 LEU 326 6.586 12.688 -12.172 163 HD23 LEU 326 HD23 LEU 326 5.126 11.714 -12.013 164 H GLU 327 H GLU 327 5.174 9.375 -16.119 165 HA GLU 327 HA GLU 327 3.721 10.481 -18.484 166 HB2 GLU 327 HB2 GLU 327 6.574 9.629 -18.213 167 HB3 GLU 327 HB3 GLU 327 5.747 9.207 -19.712 168 HG2 GLU 327 HG2 GLU 327 5.664 11.367 -20.422 169 HG3 GLU 327 HG3 GLU 327 5.285 11.980 -18.814 Start of MODEL 15 1 HA LYS 308 HA LYS 308 -9.301 -5.135 12.123 2 HB2 LYS 308 HB2 LYS 308 -11.747 -4.430 12.724 3 HB3 LYS 308 HB3 LYS 308 -11.494 -3.145 11.543 4 HG2 LYS 308 HG2 LYS 308 -10.530 -5.434 10.266 5 HG3 LYS 308 HG3 LYS 308 -11.982 -5.987 11.101 6 HD2 LYS 308 HD2 LYS 308 -13.355 -4.386 10.001 7 HD3 LYS 308 HD3 LYS 308 -11.961 -3.460 9.441 8 HE2 LYS 308 HE2 LYS 308 -11.378 -5.097 7.818 9 HE3 LYS 308 HE3 LYS 308 -12.402 -6.332 8.579 10 HZ1 LYS 308 HZ1 LYS 308 -13.373 -3.800 7.353 11 HZ2 LYS 308 HZ2 LYS 308 -14.347 -4.981 8.091 12 HZ3 LYS 308 HZ3 LYS 308 -13.509 -5.341 6.658 13 H PHE 309 H PHE 309 -8.053 -4.762 10.309 14 HA PHE 309 HA PHE 309 -7.709 -1.931 9.379 15 HB2 PHE 309 HB2 PHE 309 -5.618 -4.069 9.905 16 HB3 PHE 309 HB3 PHE 309 -5.277 -2.538 9.102 17 HD1 PHE 309 HD1 PHE 309 -5.806 -0.364 10.352 18 HD2 PHE 309 HD2 PHE 309 -5.706 -4.208 12.268 19 HE1 PHE 309 HE1 PHE 309 -5.581 0.742 12.560 20 HE2 PHE 309 HE2 PHE 309 -5.480 -3.102 14.475 21 HZ PHE 309 HZ PHE 309 -5.417 -0.627 14.622 22 HA PRO 310 HA PRO 310 -8.811 -4.471 5.757 23 HB2 PRO 310 HB2 PRO 310 -9.878 -2.394 4.326 24 HB3 PRO 310 HB3 PRO 310 -10.790 -3.290 5.556 25 HG2 PRO 310 HG2 PRO 310 -9.461 -0.636 5.747 26 HG3 PRO 310 HG3 PRO 310 -10.994 -1.184 6.442 27 HD2 PRO 310 HD2 PRO 310 -8.675 -0.967 7.869 28 HD3 PRO 310 HD3 PRO 310 -9.985 -2.096 8.279 29 H ARG 311 H ARG 311 -7.254 -4.890 4.245 30 HA ARG 311 HA ARG 311 -5.522 -4.581 2.679 31 HB2 ARG 311 HB2 ARG 311 -7.286 -2.550 2.289 32 HB3 ARG 311 HB3 ARG 311 -5.842 -1.625 2.698 33 HG2 ARG 311 HG2 ARG 311 -4.684 -3.279 0.983 34 HG3 ARG 311 HG3 ARG 311 -6.328 -3.450 0.368 35 HD2 ARG 311 HD2 ARG 311 -6.490 -1.142 -0.177 36 HD3 ARG 311 HD3 ARG 311 -5.093 -0.723 0.835 37 HE ARG 311 HE ARG 311 -3.643 -1.858 -0.798 38 HH11 ARG 311 HH11 ARG 311 -5.533 0.136 -2.283 39 HH12 ARG 311 HH12 ARG 311 -5.897 -0.796 -3.697 40 HH21 ARG 311 HH21 ARG 311 -4.713 -3.777 -2.355 41 HH22 ARG 311 HH22 ARG 311 -5.434 -3.021 -3.737 42 H ALA 312 H ALA 312 -3.311 -3.573 2.509 43 HA ALA 312 HA ALA 312 -2.315 -2.674 5.198 44 HB1 ALA 312 HB1 ALA 312 -0.975 -4.319 3.023 45 HB2 ALA 312 HB2 ALA 312 -1.669 -4.966 4.509 46 HB3 ALA 312 HB3 ALA 312 -0.260 -3.909 4.582 47 H MET 313 H MET 313 0.144 -1.755 4.638 48 HA MET 313 HA MET 313 -0.291 0.378 2.568 49 HB2 MET 313 HB2 MET 313 0.985 0.292 5.297 50 HB3 MET 313 HB3 MET 313 1.459 1.539 4.144 51 HG2 MET 313 HG2 MET 313 -0.307 2.664 5.066 52 HG3 MET 313 HG3 MET 313 -1.236 1.705 3.914 53 HE1 MET 313 HE1 MET 313 -1.105 1.850 8.299 54 HE2 MET 313 HE2 MET 313 0.093 2.398 7.131 55 HE3 MET 313 HE3 MET 313 0.234 0.791 7.839 56 HA PRO 314 HA PRO 314 3.311 -2.075 1.098 57 HB2 PRO 314 HB2 PRO 314 2.694 -1.861 -1.558 58 HB3 PRO 314 HB3 PRO 314 2.020 -3.119 -0.506 59 HG2 PRO 314 HG2 PRO 314 0.784 -0.604 -1.482 60 HG3 PRO 314 HG3 PRO 314 0.050 -2.190 -1.204 61 HD2 PRO 314 HD2 PRO 314 -0.190 -0.051 0.502 62 HD3 PRO 314 HD3 PRO 314 -0.367 -1.749 0.991 63 H ILE 315 H ILE 315 4.738 -1.293 -1.018 64 HA ILE 315 HA ILE 315 5.825 1.276 -0.299 65 HB ILE 315 HB ILE 315 6.188 -0.318 -2.856 66 HG12 ILE 315 HG12 ILE 315 6.601 -1.837 -1.034 67 HG13 ILE 315 HG13 ILE 315 8.176 -1.290 -1.602 68 HG21 ILE 315 HG21 ILE 315 8.418 0.737 -2.870 69 HG22 ILE 315 HG22 ILE 315 8.015 1.617 -1.397 70 HG23 ILE 315 HG23 ILE 315 7.146 1.958 -2.893 71 HD11 ILE 315 HD11 ILE 315 7.871 0.580 0.225 72 HD12 ILE 315 HD12 ILE 315 8.402 -1.032 0.706 73 HD13 ILE 315 HD13 ILE 315 6.716 -0.559 0.920 74 H TRP 316 H TRP 316 4.124 0.255 -3.264 75 HA TRP 316 HA TRP 316 3.891 2.867 -4.399 76 HB2 TRP 316 HB2 TRP 316 2.344 1.772 -5.937 77 HB3 TRP 316 HB3 TRP 316 3.684 0.686 -5.590 78 HD1 TRP 316 HD1 TRP 316 3.192 -1.471 -4.127 79 HE1 TRP 316 HE1 TRP 316 0.997 -2.680 -3.512 80 HE3 TRP 316 HE3 TRP 316 -0.193 2.144 -5.379 81 HZ2 TRP 316 HZ2 TRP 316 -1.820 -2.177 -3.542 82 HZ3 TRP 316 HZ3 TRP 316 -2.620 1.753 -5.076 83 HH2 TRP 316 HH2 TRP 316 -3.436 -0.398 -4.160 84 H ALA 317 H ALA 317 1.916 1.232 -1.997 85 HA ALA 317 HA ALA 317 -0.007 3.535 -2.064 86 HB1 ALA 317 HB1 ALA 317 -0.308 0.666 -2.044 87 HB2 ALA 317 HB2 ALA 317 -1.557 1.899 -2.198 88 HB3 ALA 317 HB3 ALA 317 -1.059 1.343 -0.600 89 H ARG 318 H ARG 318 1.675 4.650 -0.683 90 HA ARG 318 HA ARG 318 1.434 3.816 2.188 91 HB2 ARG 318 HB2 ARG 318 3.719 4.157 0.452 92 HB3 ARG 318 HB3 ARG 318 3.801 5.325 1.769 93 HG2 ARG 318 HG2 ARG 318 3.895 3.676 3.411 94 HG3 ARG 318 HG3 ARG 318 3.104 2.472 2.391 95 HD2 ARG 318 HD2 ARG 318 5.222 2.637 0.894 96 HD3 ARG 318 HD3 ARG 318 5.976 3.406 2.304 97 HE ARG 318 HE ARG 318 4.860 0.637 2.263 98 HH11 ARG 318 HH11 ARG 318 7.790 1.219 2.700 99 HH12 ARG 318 HH12 ARG 318 7.919 1.099 4.423 100 HH21 ARG 318 HH21 ARG 318 4.493 1.344 4.959 101 HH22 ARG 318 HH22 ARG 318 6.046 1.173 5.708 102 HA PRO 319 HA PRO 319 0.008 7.904 2.912 103 HB2 PRO 319 HB2 PRO 319 0.942 8.371 5.442 104 HB3 PRO 319 HB3 PRO 319 -0.410 7.279 5.084 105 HG2 PRO 319 HG2 PRO 319 2.420 6.641 5.711 106 HG3 PRO 319 HG3 PRO 319 0.941 5.768 6.134 107 HD2 PRO 319 HD2 PRO 319 2.654 5.044 4.111 108 HD3 PRO 319 HD3 PRO 319 0.942 4.580 4.200 109 H ASP 320 H ASP 320 3.216 7.909 4.524 110 HA ASP 320 HA ASP 320 3.962 10.257 2.809 111 HB2 ASP 320 HB2 ASP 320 3.423 10.127 5.573 112 HB3 ASP 320 HB3 ASP 320 5.177 10.252 5.446 113 H TYR 321 H TYR 321 4.728 7.495 2.272 114 HA TYR 321 HA TYR 321 7.441 7.086 3.277 115 HB2 TYR 321 HB2 TYR 321 7.196 5.006 2.316 116 HB3 TYR 321 HB3 TYR 321 5.500 5.452 2.418 117 HD1 TYR 321 HD1 TYR 321 4.547 6.777 0.313 118 HD2 TYR 321 HD2 TYR 321 8.075 4.321 0.270 119 HE1 TYR 321 HE1 TYR 321 4.349 6.530 -2.145 120 HE2 TYR 321 HE2 TYR 321 7.876 4.081 -2.187 121 HH TYR 321 HH TYR 321 6.030 4.215 -3.898 122 H ASN 322 H ASN 322 9.116 6.533 1.396 123 HA ASN 322 HA ASN 322 10.035 8.923 0.228 124 HB2 ASN 322 HB2 ASN 322 10.409 6.017 -0.571 125 HB3 ASN 322 HB3 ASN 322 11.412 7.335 -1.174 126 HD21 ASN 322 HD21 ASN 322 10.993 5.128 1.449 127 HD22 ASN 322 HD22 ASN 322 12.149 5.807 2.491 128 HA PRO 323 HA PRO 323 7.690 9.600 -3.427 129 HB2 PRO 323 HB2 PRO 323 9.596 10.191 -5.312 130 HB3 PRO 323 HB3 PRO 323 9.131 11.310 -4.014 131 HG2 PRO 323 HG2 PRO 323 11.474 9.469 -4.174 132 HG3 PRO 323 HG3 PRO 323 11.393 11.142 -3.595 133 HD2 PRO 323 HD2 PRO 323 11.454 9.036 -1.908 134 HD3 PRO 323 HD3 PRO 323 10.563 10.529 -1.531 135 HA PRO 324 HA PRO 324 7.644 5.654 -5.438 136 HB2 PRO 324 HB2 PRO 324 5.792 6.214 -7.374 137 HB3 PRO 324 HB3 PRO 324 5.370 5.917 -5.681 138 HG2 PRO 324 HG2 PRO 324 5.650 8.502 -7.134 139 HG3 PRO 324 HG3 PRO 324 4.446 8.012 -5.932 140 HD2 PRO 324 HD2 PRO 324 6.562 9.598 -5.331 141 HD3 PRO 324 HD3 PRO 324 5.831 8.481 -4.158 142 H LEU 325 H LEU 325 8.090 4.729 -7.601 143 HA LEU 325 HA LEU 325 9.475 4.566 -9.511 144 HB2 LEU 325 HB2 LEU 325 7.517 6.441 -9.880 145 HB3 LEU 325 HB3 LEU 325 8.960 7.397 -10.218 146 HG LEU 325 HG LEU 325 9.343 4.900 -11.499 147 HD11 LEU 325 HD11 LEU 325 7.360 4.858 -13.007 148 HD12 LEU 325 HD12 LEU 325 6.599 6.093 -12.003 149 HD13 LEU 325 HD13 LEU 325 6.936 4.496 -11.334 150 HD21 LEU 325 HD21 LEU 325 10.114 7.208 -12.173 151 HD22 LEU 325 HD22 LEU 325 8.469 7.536 -12.721 152 HD23 LEU 325 HD23 LEU 325 9.421 6.269 -13.496 153 H LEU 326 H LEU 326 10.693 5.604 -6.965 154 HA LEU 326 HA LEU 326 13.247 6.494 -8.064 155 HB2 LEU 326 HB2 LEU 326 11.611 8.507 -8.012 156 HB3 LEU 326 HB3 LEU 326 11.787 8.434 -6.258 157 HG LEU 326 HG LEU 326 14.407 8.263 -7.285 158 HD11 LEU 326 HD11 LEU 326 12.678 10.256 -8.759 159 HD12 LEU 326 HD12 LEU 326 13.819 9.093 -9.432 160 HD13 LEU 326 HD13 LEU 326 14.413 10.503 -8.555 161 HD21 LEU 326 HD21 LEU 326 14.710 10.343 -6.094 162 HD22 LEU 326 HD22 LEU 326 13.529 9.390 -5.197 163 HD23 LEU 326 HD23 LEU 326 12.992 10.724 -6.218 164 H GLU 327 H GLU 327 14.030 4.688 -6.819 165 HA GLU 327 HA GLU 327 14.886 3.611 -4.907 166 HB2 GLU 327 HB2 GLU 327 15.571 6.226 -4.868 167 HB3 GLU 327 HB3 GLU 327 14.664 6.150 -3.358 168 HG2 GLU 327 HG2 GLU 327 16.201 4.785 -2.343 169 HG3 GLU 327 HG3 GLU 327 16.600 3.945 -3.842 Start of MODEL 16 1 HA LYS 308 HA LYS 308 -10.483 7.700 7.304 2 HB2 LYS 308 HB2 LYS 308 -12.648 6.554 5.804 3 HB3 LYS 308 HB3 LYS 308 -12.292 5.490 7.165 4 HG2 LYS 308 HG2 LYS 308 -12.318 8.390 7.787 5 HG3 LYS 308 HG3 LYS 308 -13.879 7.688 7.361 6 HD2 LYS 308 HD2 LYS 308 -13.849 6.190 9.162 7 HD3 LYS 308 HD3 LYS 308 -12.097 6.285 9.337 8 HE2 LYS 308 HE2 LYS 308 -12.958 7.563 11.165 9 HE3 LYS 308 HE3 LYS 308 -12.492 8.779 9.961 10 HZ1 LYS 308 HZ1 LYS 308 -14.802 9.029 10.866 11 HZ2 LYS 308 HZ2 LYS 308 -15.205 7.573 10.091 12 HZ3 LYS 308 HZ3 LYS 308 -14.712 8.918 9.176 13 H PHE 309 H PHE 309 -10.591 4.506 5.634 14 HA PHE 309 HA PHE 309 -8.511 3.549 7.578 15 HB2 PHE 309 HB2 PHE 309 -10.734 2.037 6.160 16 HB3 PHE 309 HB3 PHE 309 -9.598 1.341 7.314 17 HD1 PHE 309 HD1 PHE 309 -9.410 2.927 9.574 18 HD2 PHE 309 HD2 PHE 309 -12.840 2.490 7.023 19 HE1 PHE 309 HE1 PHE 309 -10.887 3.628 11.438 20 HE2 PHE 309 HE2 PHE 309 -14.316 3.188 8.890 21 HZ PHE 309 HZ PHE 309 -13.340 3.758 11.097 22 HA PRO 310 HA PRO 310 -6.309 3.214 3.659 23 HB2 PRO 310 HB2 PRO 310 -3.863 2.697 4.771 24 HB3 PRO 310 HB3 PRO 310 -4.547 4.331 4.654 25 HG2 PRO 310 HG2 PRO 310 -4.421 2.495 6.988 26 HG3 PRO 310 HG3 PRO 310 -4.242 4.255 6.923 27 HD2 PRO 310 HD2 PRO 310 -6.522 2.976 7.739 28 HD3 PRO 310 HD3 PRO 310 -6.492 4.615 7.053 29 H ARG 311 H ARG 311 -5.498 1.391 2.478 30 HA ARG 311 HA ARG 311 -6.122 -1.245 3.695 31 HB2 ARG 311 HB2 ARG 311 -6.752 -0.161 1.323 32 HB3 ARG 311 HB3 ARG 311 -5.207 -0.879 0.869 33 HG2 ARG 311 HG2 ARG 311 -7.267 -2.489 2.369 34 HG3 ARG 311 HG3 ARG 311 -7.356 -2.324 0.616 35 HD2 ARG 311 HD2 ARG 311 -4.818 -3.027 0.686 36 HD3 ARG 311 HD3 ARG 311 -5.248 -3.688 2.276 37 HE ARG 311 HE ARG 311 -6.450 -4.532 -0.317 38 HH11 ARG 311 HH11 ARG 311 -8.481 -4.594 1.866 39 HH12 ARG 311 HH12 ARG 311 -8.284 -6.189 2.515 40 HH21 ARG 311 HH21 ARG 311 -5.164 -6.674 1.055 41 HH22 ARG 311 HH22 ARG 311 -6.395 -7.370 2.056 42 H ALA 312 H ALA 312 -4.323 -1.794 4.970 43 HA ALA 312 HA ALA 312 -2.136 -2.531 5.456 44 HB1 ALA 312 HB1 ALA 312 -1.200 -3.869 3.743 45 HB2 ALA 312 HB2 ALA 312 -1.822 -2.823 2.467 46 HB3 ALA 312 HB3 ALA 312 -2.923 -3.866 3.367 47 H MET 313 H MET 313 0.241 -2.216 3.857 48 HA MET 313 HA MET 313 0.488 0.670 3.263 49 HB2 MET 313 HB2 MET 313 2.365 0.830 4.975 50 HB3 MET 313 HB3 MET 313 0.750 0.654 5.659 51 HG2 MET 313 HG2 MET 313 2.083 -1.915 5.115 52 HG3 MET 313 HG3 MET 313 2.921 -0.923 6.307 53 HE1 MET 313 HE1 MET 313 0.406 0.024 8.839 54 HE2 MET 313 HE2 MET 313 1.857 0.390 7.908 55 HE3 MET 313 HE3 MET 313 1.879 -0.927 9.078 56 HA PRO 314 HA PRO 314 3.243 -2.239 0.866 57 HB2 PRO 314 HB2 PRO 314 2.375 -1.475 -1.618 58 HB3 PRO 314 HB3 PRO 314 1.622 -2.780 -0.684 59 HG2 PRO 314 HG2 PRO 314 0.741 0.036 -1.052 60 HG3 PRO 314 HG3 PRO 314 -0.223 -1.445 -0.965 61 HD2 PRO 314 HD2 PRO 314 0.046 0.305 1.110 62 HD3 PRO 314 HD3 PRO 314 -0.283 -1.428 1.318 63 H ILE 315 H ILE 315 4.532 -1.345 -1.300 64 HA ILE 315 HA ILE 315 5.884 1.112 -0.353 65 HB ILE 315 HB ILE 315 6.542 -0.596 -2.764 66 HG12 ILE 315 HG12 ILE 315 6.294 -2.132 -0.882 67 HG13 ILE 315 HG13 ILE 315 8.010 -1.906 -1.209 68 HG21 ILE 315 HG21 ILE 315 8.021 1.176 -2.819 69 HG22 ILE 315 HG22 ILE 315 8.902 0.109 -1.725 70 HG23 ILE 315 HG23 ILE 315 7.940 1.436 -1.076 71 HD11 ILE 315 HD11 ILE 315 7.621 -1.768 1.199 72 HD12 ILE 315 HD12 ILE 315 6.397 -0.522 0.957 73 HD13 ILE 315 HD13 ILE 315 8.089 -0.180 0.593 74 H TRP 316 H TRP 316 3.449 0.321 -2.614 75 HA TRP 316 HA TRP 316 4.007 2.753 -4.250 76 HB2 TRP 316 HB2 TRP 316 2.493 1.691 -5.882 77 HB3 TRP 316 HB3 TRP 316 3.769 0.572 -5.409 78 HD1 TRP 316 HD1 TRP 316 3.101 -1.549 -3.994 79 HE1 TRP 316 HE1 TRP 316 0.828 -2.642 -3.450 80 HE3 TRP 316 HE3 TRP 316 -0.051 2.212 -5.410 81 HZ2 TRP 316 HZ2 TRP 316 -1.959 -2.004 -3.599 82 HZ3 TRP 316 HZ3 TRP 316 -2.504 1.944 -5.199 83 HH2 TRP 316 HH2 TRP 316 -3.461 -0.155 -4.295 84 H ALA 317 H ALA 317 1.786 1.392 -1.932 85 HA ALA 317 HA ALA 317 0.030 3.816 -2.207 86 HB1 ALA 317 HB1 ALA 317 -1.592 2.283 -2.592 87 HB2 ALA 317 HB2 ALA 317 -1.395 1.761 -0.920 88 HB3 ALA 317 HB3 ALA 317 -0.502 0.952 -2.206 89 H ARG 318 H ARG 318 1.711 4.713 -0.620 90 HA ARG 318 HA ARG 318 1.071 3.814 2.169 91 HB2 ARG 318 HB2 ARG 318 3.431 4.359 2.702 92 HB3 ARG 318 HB3 ARG 318 3.320 3.133 1.442 93 HG2 ARG 318 HG2 ARG 318 3.322 5.783 0.263 94 HG3 ARG 318 HG3 ARG 318 4.719 5.576 1.313 95 HD2 ARG 318 HD2 ARG 318 5.128 3.350 0.125 96 HD3 ARG 318 HD3 ARG 318 3.925 3.881 -1.066 97 HE ARG 318 HE ARG 318 6.612 4.949 -0.808 98 HH11 ARG 318 HH11 ARG 318 5.064 4.946 -3.362 99 HH12 ARG 318 HH12 ARG 318 4.694 6.624 -3.577 100 HH21 ARG 318 HH21 ARG 318 5.393 7.468 -0.280 101 HH22 ARG 318 HH22 ARG 318 4.875 8.056 -1.823 102 HA PRO 319 HA PRO 319 -0.160 8.124 2.352 103 HB2 PRO 319 HB2 PRO 319 -1.339 7.965 4.814 104 HB3 PRO 319 HB3 PRO 319 -2.136 7.419 3.326 105 HG2 PRO 319 HG2 PRO 319 -0.803 5.833 5.450 106 HG3 PRO 319 HG3 PRO 319 -2.225 5.444 4.472 107 HD2 PRO 319 HD2 PRO 319 0.297 4.431 4.034 108 HD3 PRO 319 HD3 PRO 319 -0.977 4.535 2.801 109 H ASP 320 H ASP 320 1.381 6.359 5.015 110 HA ASP 320 HA ASP 320 2.764 8.859 5.901 111 HB2 ASP 320 HB2 ASP 320 1.472 6.624 7.189 112 HB3 ASP 320 HB3 ASP 320 3.160 6.681 7.692 113 H TYR 321 H TYR 321 3.719 7.623 3.542 114 HA TYR 321 HA TYR 321 5.573 5.649 3.434 115 HB2 TYR 321 HB2 TYR 321 5.064 7.267 1.644 116 HB3 TYR 321 HB3 TYR 321 5.973 8.508 2.501 117 HD1 TYR 321 HD1 TYR 321 6.798 4.882 2.078 118 HD2 TYR 321 HD2 TYR 321 7.827 8.937 1.099 119 HE1 TYR 321 HE1 TYR 321 8.895 4.093 1.018 120 HE2 TYR 321 HE2 TYR 321 9.924 8.147 0.039 121 HH TYR 321 HH TYR 321 10.565 5.574 -1.079 122 H ASN 322 H ASN 322 7.301 5.038 4.605 123 HA ASN 322 HA ASN 322 8.395 6.561 6.785 124 HB2 ASN 322 HB2 ASN 322 9.865 4.654 7.000 125 HB3 ASN 322 HB3 ASN 322 8.308 4.039 6.451 126 HD21 ASN 322 HD21 ASN 322 8.199 3.098 4.309 127 HD22 ASN 322 HD22 ASN 322 9.577 2.882 3.341 128 HA PRO 323 HA PRO 323 11.481 8.961 4.757 129 HB2 PRO 323 HB2 PRO 323 13.479 8.984 6.630 130 HB3 PRO 323 HB3 PRO 323 11.970 9.899 6.816 131 HG2 PRO 323 HG2 PRO 323 12.771 7.302 8.025 132 HG3 PRO 323 HG3 PRO 323 11.859 8.644 8.733 133 HD2 PRO 323 HD2 PRO 323 10.704 6.349 7.813 134 HD3 PRO 323 HD3 PRO 323 9.871 7.919 7.869 135 HA PRO 324 HA PRO 324 13.918 5.600 3.008 136 HB2 PRO 324 HB2 PRO 324 14.711 6.970 0.772 137 HB3 PRO 324 HB3 PRO 324 13.114 6.214 0.930 138 HG2 PRO 324 HG2 PRO 324 13.898 9.066 1.230 139 HG3 PRO 324 HG3 PRO 324 12.432 8.365 0.527 140 HD2 PRO 324 HD2 PRO 324 12.550 9.458 3.033 141 HD3 PRO 324 HD3 PRO 324 11.382 8.210 2.546 142 H LEU 325 H LEU 325 16.298 5.891 1.779 143 HA LEU 325 HA LEU 325 18.588 6.319 2.180 144 HB2 LEU 325 HB2 LEU 325 17.291 8.653 1.775 145 HB3 LEU 325 HB3 LEU 325 17.865 8.943 3.416 146 HG LEU 325 HG LEU 325 20.143 7.992 2.388 147 HD11 LEU 325 HD11 LEU 325 19.095 7.572 0.165 148 HD12 LEU 325 HD12 LEU 325 20.431 8.720 0.068 149 HD13 LEU 325 HD13 LEU 325 18.765 9.299 0.020 150 HD21 LEU 325 HD21 LEU 325 20.807 10.337 1.979 151 HD22 LEU 325 HD22 LEU 325 19.822 10.208 3.435 152 HD23 LEU 325 HD23 LEU 325 19.110 10.812 1.939 153 H LEU 326 H LEU 326 19.317 8.211 4.543 154 HA LEU 326 HA LEU 326 19.413 6.091 6.576 155 HB2 LEU 326 HB2 LEU 326 21.101 8.065 5.800 156 HB3 LEU 326 HB3 LEU 326 20.300 8.879 7.146 157 HG LEU 326 HG LEU 326 21.483 6.099 7.373 158 HD11 LEU 326 HD11 LEU 326 23.232 7.785 6.800 159 HD12 LEU 326 HD12 LEU 326 23.423 7.139 8.431 160 HD13 LEU 326 HD13 LEU 326 22.727 8.742 8.194 161 HD21 LEU 326 HD21 LEU 326 20.523 8.181 9.361 162 HD22 LEU 326 HD22 LEU 326 21.430 6.740 9.823 163 HD23 LEU 326 HD23 LEU 326 19.839 6.579 9.080 164 H GLU 327 H GLU 327 17.366 5.817 7.480 165 HA GLU 327 HA GLU 327 15.653 8.084 8.196 166 HB2 GLU 327 HB2 GLU 327 14.184 6.276 9.021 167 HB3 GLU 327 HB3 GLU 327 14.803 5.892 7.417 168 HG2 GLU 327 HG2 GLU 327 16.598 4.938 9.508 169 HG3 GLU 327 HG3 GLU 327 14.977 4.271 9.694 Start of MODEL 17 1 HA LYS 308 HA LYS 308 -0.158 -9.131 15.981 2 HB2 LYS 308 HB2 LYS 308 1.210 -7.325 16.936 3 HB3 LYS 308 HB3 LYS 308 1.580 -8.847 17.743 4 HG2 LYS 308 HG2 LYS 308 3.449 -9.019 15.869 5 HG3 LYS 308 HG3 LYS 308 3.251 -7.268 15.816 6 HD2 LYS 308 HD2 LYS 308 3.453 -8.446 18.530 7 HD3 LYS 308 HD3 LYS 308 4.918 -8.534 17.552 8 HE2 LYS 308 HE2 LYS 308 4.732 -6.074 17.112 9 HE3 LYS 308 HE3 LYS 308 3.341 -6.018 18.213 10 HZ1 LYS 308 HZ1 LYS 308 6.079 -6.973 18.888 11 HZ2 LYS 308 HZ2 LYS 308 4.742 -7.031 19.938 12 HZ3 LYS 308 HZ3 LYS 308 5.363 -5.534 19.428 13 H PHE 309 H PHE 309 0.846 -10.096 13.363 14 HA PHE 309 HA PHE 309 0.731 -7.518 11.917 15 HB2 PHE 309 HB2 PHE 309 2.783 -8.587 10.538 16 HB3 PHE 309 HB3 PHE 309 3.042 -7.539 11.928 17 HD1 PHE 309 HD1 PHE 309 2.489 -11.172 11.115 18 HD2 PHE 309 HD2 PHE 309 4.410 -8.292 13.661 19 HE1 PHE 309 HE1 PHE 309 3.689 -13.001 12.279 20 HE2 PHE 309 HE2 PHE 309 5.610 -10.124 14.824 21 HZ PHE 309 HZ PHE 309 5.250 -12.478 14.135 22 HA PRO 310 HA PRO 310 -1.465 -11.140 9.981 23 HB2 PRO 310 HB2 PRO 310 -3.934 -9.970 9.866 24 HB3 PRO 310 HB3 PRO 310 -3.361 -10.892 11.269 25 HG2 PRO 310 HG2 PRO 310 -3.498 -7.948 10.868 26 HG3 PRO 310 HG3 PRO 310 -3.810 -8.906 12.324 27 HD2 PRO 310 HD2 PRO 310 -1.496 -7.519 11.880 28 HD3 PRO 310 HD3 PRO 310 -1.605 -8.958 12.916 29 H ARG 311 H ARG 311 -1.159 -7.738 9.280 30 HA ARG 311 HA ARG 311 -1.439 -8.341 6.360 31 HB2 ARG 311 HB2 ARG 311 -3.038 -6.606 8.100 32 HB3 ARG 311 HB3 ARG 311 -2.390 -5.746 6.703 33 HG2 ARG 311 HG2 ARG 311 -3.753 -6.837 5.264 34 HG3 ARG 311 HG3 ARG 311 -3.431 -8.400 6.017 35 HD2 ARG 311 HD2 ARG 311 -5.175 -8.164 7.566 36 HD3 ARG 311 HD3 ARG 311 -5.182 -6.393 7.434 37 HE ARG 311 HE ARG 311 -6.442 -6.576 5.414 38 HH11 ARG 311 HH11 ARG 311 -7.757 -8.897 6.798 39 HH12 ARG 311 HH12 ARG 311 -7.634 -10.147 5.606 40 HH21 ARG 311 HH21 ARG 311 -5.209 -8.494 3.743 41 HH22 ARG 311 HH22 ARG 311 -6.188 -9.917 3.867 42 H ALA 312 H ALA 312 -0.228 -6.841 4.993 43 HA ALA 312 HA ALA 312 1.868 -5.255 6.447 44 HB1 ALA 312 HB1 ALA 312 2.101 -7.095 4.041 45 HB2 ALA 312 HB2 ALA 312 2.774 -7.378 5.647 46 HB3 ALA 312 HB3 ALA 312 3.410 -6.076 4.641 47 H MET 313 H MET 313 2.193 -3.200 5.615 48 HA MET 313 HA MET 313 0.398 -2.261 3.476 49 HB2 MET 313 HB2 MET 313 1.431 -1.213 5.797 50 HB3 MET 313 HB3 MET 313 2.471 -0.467 4.583 51 HG2 MET 313 HG2 MET 313 0.361 0.179 3.328 52 HG3 MET 313 HG3 MET 313 -0.551 -0.347 4.743 53 HE1 MET 313 HE1 MET 313 -0.985 3.325 5.321 54 HE2 MET 313 HE2 MET 313 -1.562 1.779 5.938 55 HE3 MET 313 HE3 MET 313 -1.431 2.032 4.198 56 HA PRO 314 HA PRO 314 3.562 -2.738 0.387 57 HB2 PRO 314 HB2 PRO 314 2.270 -1.449 -1.646 58 HB3 PRO 314 HB3 PRO 314 1.848 -3.087 -1.117 59 HG2 PRO 314 HG2 PRO 314 0.489 -0.512 -0.566 60 HG3 PRO 314 HG3 PRO 314 -0.197 -2.126 -0.794 61 HD2 PRO 314 HD2 PRO 314 0.149 -0.887 1.649 62 HD3 PRO 314 HD3 PRO 314 -0.021 -2.639 1.411 63 H ILE 315 H ILE 315 4.470 -1.056 -1.428 64 HA ILE 315 HA ILE 315 5.262 1.382 0.093 65 HB ILE 315 HB ILE 315 6.437 0.143 -2.413 66 HG12 ILE 315 HG12 ILE 315 8.066 -0.177 -0.061 67 HG13 ILE 315 HG13 ILE 315 6.463 -0.839 0.260 68 HG21 ILE 315 HG21 ILE 315 7.040 2.500 -2.073 69 HG22 ILE 315 HG22 ILE 315 8.435 1.464 -1.768 70 HG23 ILE 315 HG23 ILE 315 7.531 2.149 -0.416 71 HD11 ILE 315 HD11 ILE 315 8.313 -1.547 -2.028 72 HD12 ILE 315 HD12 ILE 315 6.629 -2.065 -1.944 73 HD13 ILE 315 HD13 ILE 315 7.779 -2.603 -0.719 74 H TRP 316 H TRP 316 4.087 0.382 -3.118 75 HA TRP 316 HA TRP 316 3.934 2.968 -4.300 76 HB2 TRP 316 HB2 TRP 316 2.487 1.868 -5.922 77 HB3 TRP 316 HB3 TRP 316 3.757 0.745 -5.449 78 HD1 TRP 316 HD1 TRP 316 3.077 -1.370 -4.020 79 HE1 TRP 316 HE1 TRP 316 0.803 -2.480 -3.528 80 HE3 TRP 316 HE3 TRP 316 -0.074 2.362 -5.517 81 HZ2 TRP 316 HZ2 TRP 316 -1.983 -1.869 -3.743 82 HZ3 TRP 316 HZ3 TRP 316 -2.530 2.069 -5.366 83 HH2 TRP 316 HH2 TRP 316 -3.487 -0.039 -4.481 84 H ALA 317 H ALA 317 1.819 1.369 -2.007 85 HA ALA 317 HA ALA 317 -0.104 3.668 -2.184 86 HB1 ALA 317 HB1 ALA 317 -0.767 1.172 -2.546 87 HB2 ALA 317 HB2 ALA 317 -1.764 2.136 -1.459 88 HB3 ALA 317 HB3 ALA 317 -0.568 1.020 -0.801 89 H ARG 318 H ARG 318 1.749 4.748 -0.891 90 HA ARG 318 HA ARG 318 1.405 4.182 2.035 91 HB2 ARG 318 HB2 ARG 318 3.744 4.271 0.267 92 HB3 ARG 318 HB3 ARG 318 3.918 5.326 1.668 93 HG2 ARG 318 HG2 ARG 318 3.533 3.507 3.189 94 HG3 ARG 318 HG3 ARG 318 3.056 2.433 1.873 95 HD2 ARG 318 HD2 ARG 318 5.267 1.767 2.082 96 HD3 ARG 318 HD3 ARG 318 5.510 3.138 0.980 97 HE ARG 318 HE ARG 318 6.131 4.515 2.903 98 HH11 ARG 318 HH11 ARG 318 4.599 3.274 5.085 99 HH12 ARG 318 HH12 ARG 318 5.794 2.359 5.942 100 HH21 ARG 318 HH21 ARG 318 8.096 2.437 3.335 101 HH22 ARG 318 HH22 ARG 318 7.783 1.880 4.944 102 HA PRO 319 HA PRO 319 0.678 8.523 2.444 103 HB2 PRO 319 HB2 PRO 319 1.866 9.070 4.845 104 HB3 PRO 319 HB3 PRO 319 0.346 8.164 4.709 105 HG2 PRO 319 HG2 PRO 319 3.104 7.173 5.181 106 HG3 PRO 319 HG3 PRO 319 1.566 6.586 5.828 107 HD2 PRO 319 HD2 PRO 319 2.942 5.391 3.776 108 HD3 PRO 319 HD3 PRO 319 1.192 5.227 4.040 109 H ASP 320 H ASP 320 3.989 7.433 3.051 110 HA ASP 320 HA ASP 320 5.047 10.006 1.929 111 HB2 ASP 320 HB2 ASP 320 6.173 8.015 3.929 112 HB3 ASP 320 HB3 ASP 320 7.072 9.398 3.308 113 H TYR 321 H TYR 321 4.210 7.790 0.249 114 HA TYR 321 HA TYR 321 6.174 5.924 -0.505 115 HB2 TYR 321 HB2 TYR 321 3.925 5.868 -1.370 116 HB3 TYR 321 HB3 TYR 321 4.089 7.477 -2.065 117 HD1 TYR 321 HD1 TYR 321 6.243 4.393 -2.160 118 HD2 TYR 321 HD2 TYR 321 4.099 7.370 -4.396 119 HE1 TYR 321 HE1 TYR 321 7.067 3.399 -4.272 120 HE2 TYR 321 HE2 TYR 321 4.926 6.373 -6.508 121 HH TYR 321 HH TYR 321 7.447 4.460 -6.776 122 H ASN 322 H ASN 322 7.900 5.978 -1.964 123 HA ASN 322 HA ASN 322 9.470 8.373 -2.177 124 HB2 ASN 322 HB2 ASN 322 9.509 5.691 -3.605 125 HB3 ASN 322 HB3 ASN 322 10.801 6.881 -3.740 126 HD21 ASN 322 HD21 ASN 322 9.834 4.175 -1.965 127 HD22 ASN 322 HD22 ASN 322 10.781 4.429 -0.578 128 HA PRO 323 HA PRO 323 8.011 10.256 -5.880 129 HB2 PRO 323 HB2 PRO 323 10.290 10.762 -7.322 130 HB3 PRO 323 HB3 PRO 323 9.833 11.678 -5.870 131 HG2 PRO 323 HG2 PRO 323 11.778 9.435 -6.158 132 HG3 PRO 323 HG3 PRO 323 11.910 10.926 -5.212 133 HD2 PRO 323 HD2 PRO 323 11.280 8.549 -4.092 134 HD3 PRO 323 HD3 PRO 323 10.658 10.094 -3.469 135 HA PRO 324 HA PRO 324 7.611 6.836 -8.690 136 HB2 PRO 324 HB2 PRO 324 6.041 8.077 -10.558 137 HB3 PRO 324 HB3 PRO 324 5.423 7.505 -8.999 138 HG2 PRO 324 HG2 PRO 324 6.178 10.257 -9.843 139 HG3 PRO 324 HG3 PRO 324 4.833 9.718 -8.824 140 HD2 PRO 324 HD2 PRO 324 7.126 10.811 -7.834 141 HD3 PRO 324 HD3 PRO 324 6.119 9.655 -6.933 142 H LEU 325 H LEU 325 7.648 6.779 -11.344 143 HA LEU 325 HA LEU 325 9.003 6.959 -13.262 144 HB2 LEU 325 HB2 LEU 325 8.781 9.629 -12.044 145 HB3 LEU 325 HB3 LEU 325 10.220 9.443 -13.046 146 HG LEU 325 HG LEU 325 8.472 8.305 -14.711 147 HD11 LEU 325 HD11 LEU 325 6.808 10.238 -13.066 148 HD12 LEU 325 HD12 LEU 325 6.558 8.498 -13.194 149 HD13 LEU 325 HD13 LEU 325 6.308 9.531 -14.601 150 HD21 LEU 325 HD21 LEU 325 8.220 10.519 -15.793 151 HD22 LEU 325 HD22 LEU 325 9.866 10.278 -15.207 152 HD23 LEU 325 HD23 LEU 325 8.749 11.301 -14.304 153 H LEU 326 H LEU 326 10.506 5.345 -12.665 154 HA LEU 326 HA LEU 326 12.513 4.399 -11.883 155 HB2 LEU 326 HB2 LEU 326 14.339 5.354 -13.037 156 HB3 LEU 326 HB3 LEU 326 12.937 5.840 -13.977 157 HG LEU 326 HG LEU 326 13.504 7.791 -11.897 158 HD11 LEU 326 HD11 LEU 326 15.715 7.158 -13.871 159 HD12 LEU 326 HD12 LEU 326 15.816 7.027 -12.115 160 HD13 LEU 326 HD13 LEU 326 15.640 8.609 -12.873 161 HD21 LEU 326 HD21 LEU 326 13.083 9.290 -13.629 162 HD22 LEU 326 HD22 LEU 326 12.240 7.860 -14.224 163 HD23 LEU 326 HD23 LEU 326 13.842 8.258 -14.841 164 H GLU 327 H GLU 327 11.149 5.720 -9.745 165 HA GLU 327 HA GLU 327 11.512 6.524 -7.563 166 HB2 GLU 327 HB2 GLU 327 14.196 5.298 -8.285 167 HB3 GLU 327 HB3 GLU 327 13.736 5.754 -6.645 168 HG2 GLU 327 HG2 GLU 327 11.637 4.178 -7.868 169 HG3 GLU 327 HG3 GLU 327 13.172 3.316 -7.949 Start of MODEL 18 1 HA LYS 308 HA LYS 308 -8.832 1.291 -1.203 2 HB2 LYS 308 HB2 LYS 308 -10.882 0.225 -2.071 3 HB3 LYS 308 HB3 LYS 308 -10.844 1.932 -2.507 4 HG2 LYS 308 HG2 LYS 308 -10.316 1.472 -4.760 5 HG3 LYS 308 HG3 LYS 308 -9.764 -0.163 -4.391 6 HD2 LYS 308 HD2 LYS 308 -12.135 -0.722 -3.725 7 HD3 LYS 308 HD3 LYS 308 -12.616 0.857 -4.347 8 HE2 LYS 308 HE2 LYS 308 -11.960 0.287 -6.583 9 HE3 LYS 308 HE3 LYS 308 -11.107 -1.168 -6.030 10 HZ1 LYS 308 HZ1 LYS 308 -14.020 -0.677 -5.672 11 HZ2 LYS 308 HZ2 LYS 308 -13.173 -2.088 -5.249 12 HZ3 LYS 308 HZ3 LYS 308 -13.354 -1.661 -6.882 13 H PHE 309 H PHE 309 -9.002 -1.135 -0.920 14 HA PHE 309 HA PHE 309 -8.043 -3.280 -1.076 15 HB2 PHE 309 HB2 PHE 309 -9.297 -2.795 -3.359 16 HB3 PHE 309 HB3 PHE 309 -7.661 -2.792 -4.015 17 HD1 PHE 309 HD1 PHE 309 -10.221 -4.823 -2.284 18 HD2 PHE 309 HD2 PHE 309 -6.326 -4.815 -4.095 19 HE1 PHE 309 HE2 PHE 309 -10.203 -7.303 -2.256 20 HE2 PHE 309 HE1 PHE 309 -6.307 -7.295 -4.066 21 HZ PHE 309 HZ PHE 309 -8.246 -8.538 -3.146 22 HA PRO 310 HA PRO 310 -3.796 -1.468 -1.306 23 HB2 PRO 310 HB2 PRO 310 -3.058 -2.178 1.232 24 HB3 PRO 310 HB3 PRO 310 -3.916 -0.670 0.863 25 HG2 PRO 310 HG2 PRO 310 -4.953 -3.209 1.997 26 HG3 PRO 310 HG3 PRO 310 -5.421 -1.538 2.347 27 HD2 PRO 310 HD2 PRO 310 -6.849 -3.258 0.740 28 HD3 PRO 310 HD3 PRO 310 -6.947 -1.486 0.662 29 H ARG 311 H ARG 311 -1.729 -2.889 -0.172 30 HA ARG 311 HA ARG 311 -2.159 -5.749 -0.955 31 HB2 ARG 311 HB2 ARG 311 -0.684 -3.688 -2.314 32 HB3 ARG 311 HB3 ARG 311 0.458 -4.895 -1.723 33 HG2 ARG 311 HG2 ARG 311 -0.441 -6.589 -3.018 34 HG3 ARG 311 HG3 ARG 311 -2.049 -5.864 -3.039 35 HD2 ARG 311 HD2 ARG 311 -0.395 -3.988 -4.340 36 HD3 ARG 311 HD3 ARG 311 0.092 -5.570 -4.978 37 HE ARG 311 HE ARG 311 -2.192 -5.941 -5.710 38 HH11 ARG 311 HH11 ARG 311 -3.700 -4.548 -3.575 39 HH12 ARG 311 HH12 ARG 311 -4.266 -3.117 -4.371 40 HH21 ARG 311 HH21 ARG 311 -2.019 -3.389 -7.014 41 HH22 ARG 311 HH22 ARG 311 -3.310 -2.458 -6.330 42 H ALA 312 H ALA 312 -2.236 -5.266 1.653 43 HA ALA 312 HA ALA 312 -1.224 -5.721 3.732 44 HB1 ALA 312 HB1 ALA 312 -0.686 -7.741 2.219 45 HB2 ALA 312 HB2 ALA 312 0.317 -7.533 3.654 46 HB3 ALA 312 HB3 ALA 312 0.930 -7.049 2.074 47 H MET 313 H MET 313 -0.745 -3.208 3.365 48 HA MET 313 HA MET 313 0.736 -1.394 3.661 49 HB2 MET 313 HB2 MET 313 1.848 -3.748 5.153 50 HB3 MET 313 HB3 MET 313 2.791 -2.260 5.102 51 HG2 MET 313 HG2 MET 313 -0.082 -1.896 5.704 52 HG3 MET 313 HG3 MET 313 0.838 -2.752 6.941 53 HE1 MET 313 HE1 MET 313 2.038 -1.715 8.687 54 HE2 MET 313 HE2 MET 313 0.459 -0.933 8.719 55 HE3 MET 313 HE3 MET 313 1.914 0.024 8.984 56 HA PRO 314 HA PRO 314 3.562 -2.919 0.265 57 HB2 PRO 314 HB2 PRO 314 2.427 -1.578 -1.824 58 HB3 PRO 314 HB3 PRO 314 1.919 -3.202 -1.326 59 HG2 PRO 314 HG2 PRO 314 0.611 -0.590 -0.872 60 HG3 PRO 314 HG3 PRO 314 -0.104 -2.191 -1.086 61 HD2 PRO 314 HD2 PRO 314 0.216 -0.869 1.341 62 HD3 PRO 314 HD3 PRO 314 -0.093 -2.605 1.139 63 H ILE 315 H ILE 315 4.499 -1.200 -1.565 64 HA ILE 315 HA ILE 315 5.472 1.111 0.040 65 HB ILE 315 HB ILE 315 6.416 0.175 -2.679 66 HG12 ILE 315 HG12 ILE 315 6.437 -1.795 -1.215 67 HG13 ILE 315 HG13 ILE 315 8.085 -1.231 -1.475 68 HG21 ILE 315 HG21 ILE 315 7.264 2.338 -1.876 69 HG22 ILE 315 HG22 ILE 315 8.557 1.140 -1.904 70 HG23 ILE 315 HG23 ILE 315 7.799 1.583 -0.375 71 HD11 ILE 315 HD11 ILE 315 6.375 -0.982 0.989 72 HD12 ILE 315 HD12 ILE 315 7.699 0.149 0.709 73 HD13 ILE 315 HD13 ILE 315 8.028 -1.577 0.843 74 H TRP 316 H TRP 316 4.078 0.385 -3.146 75 HA TRP 316 HA TRP 316 3.907 3.055 -4.129 76 HB2 TRP 316 HB2 TRP 316 2.331 2.068 -5.741 77 HB3 TRP 316 HB3 TRP 316 3.695 0.986 -5.478 78 HD1 TRP 316 HD1 TRP 316 3.249 -1.295 -4.234 79 HE1 TRP 316 HE1 TRP 316 1.089 -2.581 -3.661 80 HE3 TRP 316 HE3 TRP 316 -0.214 2.373 -5.053 81 HZ2 TRP 316 HZ2 TRP 316 -1.732 -2.118 -3.561 82 HZ3 TRP 316 HZ3 TRP 316 -2.626 1.922 -4.714 83 HH2 TRP 316 HH2 TRP 316 -3.390 -0.318 -3.969 84 H ALA 317 H ALA 317 1.825 1.308 -1.898 85 HA ALA 317 HA ALA 317 -0.214 3.484 -2.019 86 HB1 ALA 317 HB1 ALA 317 -0.609 0.887 -2.073 87 HB2 ALA 317 HB2 ALA 317 -1.669 1.890 -1.084 88 HB3 ALA 317 HB3 ALA 317 -0.352 0.992 -0.331 89 H ARG 318 H ARG 318 1.534 4.907 -0.963 90 HA ARG 318 HA ARG 318 1.454 4.570 2.017 91 HB2 ARG 318 HB2 ARG 318 3.692 5.321 0.122 92 HB3 ARG 318 HB3 ARG 318 3.776 5.682 1.846 93 HG2 ARG 318 HG2 ARG 318 3.231 2.903 0.774 94 HG3 ARG 318 HG3 ARG 318 4.853 3.486 1.144 95 HD2 ARG 318 HD2 ARG 318 2.583 3.509 3.162 96 HD3 ARG 318 HD3 ARG 318 3.779 2.205 3.040 97 HE ARG 318 HE ARG 318 5.066 4.803 3.146 98 HH11 ARG 318 HH11 ARG 318 6.209 2.456 4.501 99 HH12 ARG 318 HH12 ARG 318 5.889 2.770 6.175 100 HH21 ARG 318 HH21 ARG 318 3.474 5.188 5.522 101 HH22 ARG 318 HH22 ARG 318 4.331 4.326 6.756 102 HA PRO 319 HA PRO 319 0.033 8.745 2.131 103 HB2 PRO 319 HB2 PRO 319 1.238 9.674 4.410 104 HB3 PRO 319 HB3 PRO 319 -0.131 8.543 4.431 105 HG2 PRO 319 HG2 PRO 319 2.779 7.994 4.753 106 HG3 PRO 319 HG3 PRO 319 1.399 7.295 5.613 107 HD2 PRO 319 HD2 PRO 319 2.696 6.006 3.611 108 HD3 PRO 319 HD3 PRO 319 0.967 5.769 3.955 109 H ASP 320 H ASP 320 3.512 8.353 2.766 110 HA ASP 320 HA ASP 320 4.046 10.872 1.224 111 HB2 ASP 320 HB2 ASP 320 4.835 9.926 3.814 112 HB3 ASP 320 HB3 ASP 320 6.278 10.005 2.803 113 H TYR 321 H TYR 321 3.606 8.336 -0.051 114 HA TYR 321 HA TYR 321 5.664 6.608 -0.617 115 HB2 TYR 321 HB2 TYR 321 3.400 6.585 -1.600 116 HB3 TYR 321 HB3 TYR 321 3.814 7.983 -2.591 117 HD1 TYR 321 HD1 TYR 321 5.920 5.006 -1.751 118 HD2 TYR 321 HD2 TYR 321 3.786 7.151 -4.801 119 HE1 TYR 321 HE2 TYR 321 6.877 3.509 -3.475 120 HE2 TYR 321 HE1 TYR 321 4.744 5.652 -6.524 121 HH TYR 321 HH TYR 321 5.722 3.020 -6.329 122 H ASN 322 H ASN 322 7.695 6.791 -1.358 123 HA ASN 322 HA ASN 322 8.895 9.310 -2.098 124 HB2 ASN 322 HB2 ASN 322 10.889 7.935 -2.365 125 HB3 ASN 322 HB3 ASN 322 9.991 7.335 -0.972 126 HD21 ASN 322 HD21 ASN 322 9.091 5.186 -1.101 127 HD22 ASN 322 HD22 ASN 322 9.346 4.166 -2.435 128 HA PRO 323 HA PRO 323 8.197 9.332 -6.446 129 HB2 PRO 323 HB2 PRO 323 10.498 10.499 -7.362 130 HB3 PRO 323 HB3 PRO 323 9.235 11.398 -6.499 131 HG2 PRO 323 HG2 PRO 323 11.828 10.346 -5.495 132 HG3 PRO 323 HG3 PRO 323 10.998 11.862 -5.110 133 HD2 PRO 323 HD2 PRO 323 10.997 9.670 -3.479 134 HD3 PRO 323 HD3 PRO 323 9.707 10.893 -3.495 135 HA PRO 324 HA PRO 324 10.390 5.525 -7.481 136 HB2 PRO 324 HB2 PRO 324 8.652 4.740 -9.443 137 HB3 PRO 324 HB3 PRO 324 8.331 4.505 -7.715 138 HG2 PRO 324 HG2 PRO 324 7.257 6.549 -9.579 139 HG3 PRO 324 HG3 PRO 324 6.471 5.733 -8.220 140 HD2 PRO 324 HD2 PRO 324 7.464 8.299 -8.140 141 HD3 PRO 324 HD3 PRO 324 7.210 7.270 -6.715 142 H LEU 325 H LEU 325 10.633 4.593 -10.033 143 HA LEU 325 HA LEU 325 12.532 6.324 -11.285 144 HB2 LEU 325 HB2 LEU 325 10.989 3.849 -12.033 145 HB3 LEU 325 HB3 LEU 325 11.990 4.645 -13.248 146 HG LEU 325 HG LEU 325 13.625 4.561 -10.988 147 HD11 LEU 325 HD11 LEU 325 13.571 2.134 -10.378 148 HD12 LEU 325 HD12 LEU 325 12.075 1.972 -11.299 149 HD13 LEU 325 HD13 LEU 325 12.124 3.003 -9.869 150 HD21 LEU 325 HD21 LEU 325 13.480 2.614 -13.315 151 HD22 LEU 325 HD22 LEU 325 14.895 2.908 -12.304 152 HD23 LEU 325 HD23 LEU 325 14.277 4.186 -13.351 153 H LEU 326 H LEU 326 12.258 7.982 -12.745 154 HA LEU 326 HA LEU 326 9.483 8.572 -13.686 155 HB2 LEU 326 HB2 LEU 326 12.016 10.212 -13.366 156 HB3 LEU 326 HB3 LEU 326 10.535 10.850 -14.078 157 HG LEU 326 HG LEU 326 9.670 9.636 -11.719 158 HD11 LEU 326 HD11 LEU 326 11.968 9.429 -10.918 159 HD12 LEU 326 HD12 LEU 326 11.137 10.679 -9.992 160 HD13 LEU 326 HD13 LEU 326 12.271 11.132 -11.266 161 HD21 LEU 326 HD21 LEU 326 8.901 11.781 -12.714 162 HD22 LEU 326 HD22 LEU 326 10.404 12.544 -12.193 163 HD23 LEU 326 HD23 LEU 326 9.256 11.947 -10.994 164 H GLU 327 H GLU 327 9.170 7.631 -15.684 165 HA GLU 327 HA GLU 327 11.133 8.279 -17.838 166 HB2 GLU 327 HB2 GLU 327 11.008 5.917 -18.595 167 HB3 GLU 327 HB3 GLU 327 11.660 6.038 -16.963 168 HG2 GLU 327 HG2 GLU 327 10.009 4.726 -16.177 169 HG3 GLU 327 HG3 GLU 327 8.793 5.837 -16.807 Start of MODEL 19 1 HA LYS 308 HA LYS 308 -8.911 7.904 4.674 2 HB2 LYS 308 HB2 LYS 308 -9.499 9.087 6.873 3 HB3 LYS 308 HB3 LYS 308 -8.141 8.214 7.585 4 HG2 LYS 308 HG2 LYS 308 -6.634 9.181 5.869 5 HG3 LYS 308 HG3 LYS 308 -7.993 10.081 5.198 6 HD2 LYS 308 HD2 LYS 308 -7.004 11.659 6.619 7 HD3 LYS 308 HD3 LYS 308 -8.277 10.983 7.636 8 HE2 LYS 308 HE2 LYS 308 -6.747 9.666 8.881 9 HE3 LYS 308 HE3 LYS 308 -5.481 9.821 7.649 10 HZ1 LYS 308 HZ1 LYS 308 -5.252 11.335 9.631 11 HZ2 LYS 308 HZ2 LYS 308 -6.628 12.159 9.073 12 HZ3 LYS 308 HZ3 LYS 308 -5.221 12.103 8.120 13 H PHE 309 H PHE 309 -7.928 5.816 7.427 14 HA PHE 309 HA PHE 309 -5.284 5.327 6.216 15 HB2 PHE 309 HB2 PHE 309 -6.706 4.320 8.704 16 HB3 PHE 309 HB3 PHE 309 -5.037 3.925 8.298 17 HD1 PHE 309 HD1 PHE 309 -3.575 6.107 7.609 18 HD2 PHE 309 HD2 PHE 309 -7.038 6.105 10.154 19 HE1 PHE 309 HE1 PHE 309 -2.825 8.236 8.636 20 HE2 PHE 309 HE2 PHE 309 -6.286 8.233 11.179 21 HZ PHE 309 HZ PHE 309 -4.179 9.299 10.419 22 HA PRO 310 HA PRO 310 -7.099 1.822 4.058 23 HB2 PRO 310 HB2 PRO 310 -4.880 1.254 2.562 24 HB3 PRO 310 HB3 PRO 310 -6.009 2.563 2.159 25 HG2 PRO 310 HG2 PRO 310 -3.344 2.699 3.459 26 HG3 PRO 310 HG3 PRO 310 -4.104 3.818 2.320 27 HD2 PRO 310 HD2 PRO 310 -3.942 4.230 5.030 28 HD3 PRO 310 HD3 PRO 310 -5.161 4.972 3.971 29 H ARG 311 H ARG 311 -6.460 -0.537 3.880 30 HA ARG 311 HA ARG 311 -5.238 -1.465 6.377 31 HB2 ARG 311 HB2 ARG 311 -6.008 -3.638 5.606 32 HB3 ARG 311 HB3 ARG 311 -7.262 -2.455 5.248 33 HG2 ARG 311 HG2 ARG 311 -7.204 -3.246 3.130 34 HG3 ARG 311 HG3 ARG 311 -5.667 -2.397 2.970 35 HD2 ARG 311 HD2 ARG 311 -5.020 -4.795 4.299 36 HD3 ARG 311 HD3 ARG 311 -6.159 -5.262 3.021 37 HE ARG 311 HE ARG 311 -3.899 -3.431 2.346 38 HH11 ARG 311 HH11 ARG 311 -5.679 -4.519 0.213 39 HH12 ARG 311 HH12 ARG 311 -4.770 -5.869 -0.379 40 HH21 ARG 311 HH21 ARG 311 -2.670 -6.003 2.390 41 HH22 ARG 311 HH22 ARG 311 -3.059 -6.714 0.858 42 H ALA 312 H ALA 312 -3.215 -2.414 6.608 43 HA ALA 312 HA ALA 312 -0.994 -3.011 6.093 44 HB1 ALA 312 HB1 ALA 312 -0.798 -4.418 4.245 45 HB2 ALA 312 HB2 ALA 312 -1.827 -3.403 3.236 46 HB3 ALA 312 HB3 ALA 312 -2.546 -4.429 4.477 47 H MET 313 H MET 313 0.850 -2.405 4.437 48 HA MET 313 HA MET 313 0.400 0.231 3.136 49 HB2 MET 313 HB2 MET 313 1.083 0.248 5.704 50 HB3 MET 313 HB3 MET 313 2.692 -0.062 5.053 51 HG2 MET 313 HG2 MET 313 2.446 1.926 3.576 52 HG3 MET 313 HG3 MET 313 0.881 2.256 4.318 53 HE1 MET 313 HE1 MET 313 1.677 4.443 4.531 54 HE2 MET 313 HE2 MET 313 2.577 5.094 5.897 55 HE3 MET 313 HE3 MET 313 0.994 4.366 6.161 56 HA PRO 314 HA PRO 314 3.276 -2.426 0.746 57 HB2 PRO 314 HB2 PRO 314 2.412 -1.569 -1.705 58 HB3 PRO 314 HB3 PRO 314 1.619 -2.873 -0.804 59 HG2 PRO 314 HG2 PRO 314 0.832 -0.021 -1.095 60 HG3 PRO 314 HG3 PRO 314 -0.182 -1.470 -1.033 61 HD2 PRO 314 HD2 PRO 314 0.174 0.226 1.080 62 HD3 PRO 314 HD3 PRO 314 -0.233 -1.495 1.251 63 H ILE 315 H ILE 315 4.567 -1.464 -1.420 64 HA ILE 315 HA ILE 315 5.863 1.014 -0.395 65 HB ILE 315 HB ILE 315 6.719 -0.736 -2.715 66 HG12 ILE 315 HG12 ILE 315 6.332 -2.197 -0.759 67 HG13 ILE 315 HG13 ILE 315 8.056 -2.034 -1.081 68 HG21 ILE 315 HG21 ILE 315 8.992 0.034 -1.581 69 HG22 ILE 315 HG22 ILE 315 7.979 1.329 -0.946 70 HG23 ILE 315 HG23 ILE 315 8.133 1.104 -2.689 71 HD11 ILE 315 HD11 ILE 315 7.705 -1.782 1.307 72 HD12 ILE 315 HD12 ILE 315 6.460 -0.564 1.037 73 HD13 ILE 315 HD13 ILE 315 8.142 -0.206 0.646 74 H TRP 316 H TRP 316 3.334 0.419 -2.395 75 HA TRP 316 HA TRP 316 4.001 2.721 -4.194 76 HB2 TRP 316 HB2 TRP 316 2.630 1.575 -5.885 77 HB3 TRP 316 HB3 TRP 316 3.892 0.490 -5.308 78 HD1 TRP 316 HD1 TRP 316 3.178 -1.640 -3.970 79 HE1 TRP 316 HE1 TRP 316 0.892 -2.731 -3.468 80 HE3 TRP 316 HE3 TRP 316 0.055 2.130 -5.424 81 HZ2 TRP 316 HZ2 TRP 316 -1.890 -2.085 -3.656 82 HZ3 TRP 316 HZ3 TRP 316 -2.401 1.870 -5.250 83 HH2 TRP 316 HH2 TRP 316 -3.375 -0.227 -4.367 84 H ALA 317 H ALA 317 2.073 1.724 -1.623 85 HA ALA 317 HA ALA 317 0.070 3.865 -2.182 86 HB1 ALA 317 HB1 ALA 317 -1.179 1.665 -0.835 87 HB2 ALA 317 HB2 ALA 317 -0.327 1.030 -2.241 88 HB3 ALA 317 HB3 ALA 317 -1.535 2.297 -2.442 89 H ARG 318 H ARG 318 1.630 4.924 -0.564 90 HA ARG 318 HA ARG 318 0.959 4.084 2.244 91 HB2 ARG 318 HB2 ARG 318 3.492 5.437 1.283 92 HB3 ARG 318 HB3 ARG 318 3.204 4.718 2.864 93 HG2 ARG 318 HG2 ARG 318 3.093 2.495 1.892 94 HG3 ARG 318 HG3 ARG 318 3.205 3.160 0.262 95 HD2 ARG 318 HD2 ARG 318 5.353 3.354 2.408 96 HD3 ARG 318 HD3 ARG 318 5.419 2.349 0.948 97 HE ARG 318 HE ARG 318 5.488 5.330 0.982 98 HH11 ARG 318 HH11 ARG 318 7.707 3.584 -0.138 99 HH12 ARG 318 HH12 ARG 318 7.399 3.691 -1.840 100 HH21 ARG 318 HH21 ARG 318 4.185 4.956 -1.445 101 HH22 ARG 318 HH22 ARG 318 5.399 4.473 -2.583 102 HA PRO 319 HA PRO 319 -0.601 8.330 2.096 103 HB2 PRO 319 HB2 PRO 319 -2.014 8.155 4.434 104 HB3 PRO 319 HB3 PRO 319 -2.636 7.548 2.886 105 HG2 PRO 319 HG2 PRO 319 -1.407 6.060 5.150 106 HG3 PRO 319 HG3 PRO 319 -2.750 5.602 4.093 107 HD2 PRO 319 HD2 PRO 319 -0.211 4.635 3.820 108 HD3 PRO 319 HD3 PRO 319 -1.365 4.770 2.476 109 H ASP 320 H ASP 320 0.783 6.647 4.874 110 HA ASP 320 HA ASP 320 1.986 9.201 5.873 111 HB2 ASP 320 HB2 ASP 320 1.263 6.554 7.173 112 HB3 ASP 320 HB3 ASP 320 2.175 7.815 8.003 113 H TYR 321 H TYR 321 3.209 7.972 3.666 114 HA TYR 321 HA TYR 321 5.038 6.089 3.501 115 HB2 TYR 321 HB2 TYR 321 4.998 7.976 1.992 116 HB3 TYR 321 HB3 TYR 321 5.607 9.053 3.248 117 HD1 TYR 321 HD1 TYR 321 6.735 5.582 2.385 118 HD2 TYR 321 HD2 TYR 321 7.703 9.767 2.437 119 HE1 TYR 321 HE1 TYR 321 9.061 5.052 1.718 120 HE2 TYR 321 HE2 TYR 321 10.031 9.236 1.774 121 HH TYR 321 HH TYR 321 11.500 6.654 2.131 122 H ASN 322 H ASN 322 6.432 5.074 4.804 123 HA ASN 322 HA ASN 322 7.197 5.860 7.418 124 HB2 ASN 322 HB2 ASN 322 8.680 4.060 5.466 125 HB3 ASN 322 HB3 ASN 322 8.775 3.993 7.225 126 HD21 ASN 322 HD21 ASN 322 7.221 2.577 4.578 127 HD22 ASN 322 HD22 ASN 322 5.877 1.931 5.390 128 HA PRO 323 HA PRO 323 10.328 8.877 6.604 129 HB2 PRO 323 HB2 PRO 323 11.647 8.777 9.003 130 HB3 PRO 323 HB3 PRO 323 10.068 9.562 8.796 131 HG2 PRO 323 HG2 PRO 323 10.716 6.876 9.906 132 HG3 PRO 323 HG3 PRO 323 9.509 8.057 10.439 133 HD2 PRO 323 HD2 PRO 323 8.895 5.853 8.966 134 HD3 PRO 323 HD3 PRO 323 7.958 7.363 8.903 135 HA PRO 324 HA PRO 324 13.511 5.924 5.375 136 HB2 PRO 324 HB2 PRO 324 14.660 7.539 3.490 137 HB3 PRO 324 HB3 PRO 324 13.183 6.606 3.193 138 HG2 PRO 324 HG2 PRO 324 13.511 9.494 3.788 139 HG3 PRO 324 HG3 PRO 324 12.345 8.684 2.733 140 HD2 PRO 324 HD2 PRO 324 11.779 9.624 5.258 141 HD3 PRO 324 HD3 PRO 324 10.866 8.345 4.428 142 H LEU 325 H LEU 325 16.043 6.527 4.826 143 HA LEU 325 HA LEU 325 18.111 7.287 5.668 144 HB2 LEU 325 HB2 LEU 325 16.667 9.477 5.364 145 HB3 LEU 325 HB3 LEU 325 16.649 9.471 7.128 146 HG LEU 325 HG LEU 325 19.275 9.025 6.739 147 HD11 LEU 325 HD11 LEU 325 18.435 10.756 4.393 148 HD12 LEU 325 HD12 LEU 325 18.995 9.089 4.258 149 HD13 LEU 325 HD13 LEU 325 20.087 10.341 4.850 150 HD21 LEU 325 HD21 LEU 325 19.593 11.454 7.072 151 HD22 LEU 325 HD22 LEU 325 18.274 10.847 8.073 152 HD23 LEU 325 HD23 LEU 325 17.919 11.738 6.593 153 H LEU 326 H LEU 326 19.348 7.258 7.680 154 HA LEU 326 HA LEU 326 17.801 6.378 10.092 155 HB2 LEU 326 HB2 LEU 326 18.879 4.553 8.613 156 HB3 LEU 326 HB3 LEU 326 20.427 5.178 9.185 157 HG LEU 326 HG LEU 326 19.466 4.904 11.559 158 HD11 LEU 326 HD11 LEU 326 17.117 4.624 10.942 159 HD12 LEU 326 HD12 LEU 326 17.694 3.153 11.725 160 HD13 LEU 326 HD13 LEU 326 17.515 3.205 9.972 161 HD21 LEU 326 HD21 LEU 326 21.133 3.379 10.301 162 HD22 LEU 326 HD22 LEU 326 19.759 2.301 10.052 163 HD23 LEU 326 HD23 LEU 326 20.293 2.684 11.689 164 H GLU 327 H GLU 327 18.465 7.419 11.937 165 HA GLU 327 HA GLU 327 20.744 9.308 11.765 166 HB2 GLU 327 HB2 GLU 327 18.524 8.773 13.761 167 HB3 GLU 327 HB3 GLU 327 19.766 10.000 14.013 168 HG2 GLU 327 HG2 GLU 327 18.954 11.369 12.342 169 HG3 GLU 327 HG3 GLU 327 18.330 10.020 11.394 Start of MODEL 20 1 HA LYS 308 HA LYS 308 -8.883 -3.789 14.433 2 HB2 LYS 308 HB2 LYS 308 -10.851 -5.782 14.288 3 HB3 LYS 308 HB3 LYS 308 -9.328 -6.667 14.212 4 HG2 LYS 308 HG2 LYS 308 -9.665 -6.493 16.518 5 HG3 LYS 308 HG3 LYS 308 -8.628 -5.104 16.198 6 HD2 LYS 308 HD2 LYS 308 -10.243 -3.917 17.271 7 HD3 LYS 308 HD3 LYS 308 -11.115 -4.039 15.741 8 HE2 LYS 308 HE2 LYS 308 -12.112 -6.218 16.595 9 HE3 LYS 308 HE3 LYS 308 -11.416 -5.823 18.179 10 HZ1 LYS 308 HZ1 LYS 308 -13.212 -4.050 16.601 11 HZ2 LYS 308 HZ2 LYS 308 -12.550 -3.695 18.126 12 HZ3 LYS 308 HZ3 LYS 308 -13.680 -4.953 17.958 13 H PHE 309 H PHE 309 -6.977 -5.559 14.647 14 HA PHE 309 HA PHE 309 -5.032 -6.522 13.728 15 HB2 PHE 309 HB2 PHE 309 -6.986 -7.546 12.281 16 HB3 PHE 309 HB3 PHE 309 -6.347 -6.490 11.023 17 HD1 PHE 309 HD1 PHE 309 -5.507 -9.280 13.327 18 HD2 PHE 309 HD2 PHE 309 -4.262 -6.956 9.935 19 HE1 PHE 309 HE2 PHE 309 -3.689 -10.906 12.880 20 HE2 PHE 309 HE1 PHE 309 -2.444 -8.583 9.487 21 HZ PHE 309 HZ PHE 309 -2.157 -10.558 10.960 22 HA PRO 310 HA PRO 310 -3.026 -2.878 12.224 23 HB2 PRO 310 HB2 PRO 310 -0.564 -3.956 11.690 24 HB3 PRO 310 HB3 PRO 310 -1.134 -3.609 13.335 25 HG2 PRO 310 HG2 PRO 310 -1.057 -6.199 11.864 26 HG3 PRO 310 HG3 PRO 310 -0.697 -5.855 13.563 27 HD2 PRO 310 HD2 PRO 310 -3.043 -6.945 12.734 28 HD3 PRO 310 HD3 PRO 310 -2.903 -5.926 14.184 29 H ARG 311 H ARG 311 -3.047 -1.964 10.193 30 HA ARG 311 HA ARG 311 -3.321 -3.737 7.829 31 HB2 ARG 311 HB2 ARG 311 -4.377 -1.270 8.718 32 HB3 ARG 311 HB3 ARG 311 -3.381 -0.882 7.315 33 HG2 ARG 311 HG2 ARG 311 -4.551 -2.617 6.001 34 HG3 ARG 311 HG3 ARG 311 -5.552 -3.000 7.403 35 HD2 ARG 311 HD2 ARG 311 -5.678 -0.165 6.991 36 HD3 ARG 311 HD3 ARG 311 -6.005 -0.967 5.443 37 HE ARG 311 HE ARG 311 -7.733 -2.331 6.639 38 HH11 ARG 311 HH11 ARG 311 -6.785 -1.602 9.434 39 HH12 ARG 311 HH12 ARG 311 -7.997 -0.464 9.920 40 HH21 ARG 311 HH21 ARG 311 -9.177 0.055 6.692 41 HH22 ARG 311 HH22 ARG 311 -9.358 0.477 8.363 42 H ALA 312 H ALA 312 -1.513 -4.249 6.672 43 HA ALA 312 HA ALA 312 0.961 -2.646 6.961 44 HB1 ALA 312 HB1 ALA 312 0.340 -5.187 5.416 45 HB2 ALA 312 HB2 ALA 312 0.909 -5.136 7.085 46 HB3 ALA 312 HB3 ALA 312 1.948 -4.563 5.781 47 H MET 313 H MET 313 1.406 -1.024 5.530 48 HA MET 313 HA MET 313 -0.100 -0.832 2.983 49 HB2 MET 313 HB2 MET 313 1.455 0.923 4.807 50 HB3 MET 313 HB3 MET 313 1.532 1.345 3.096 51 HG2 MET 313 HG2 MET 313 -0.654 1.979 3.022 52 HG3 MET 313 HG3 MET 313 -1.171 0.672 4.086 53 HE1 MET 313 HE1 MET 313 -1.282 1.651 7.383 54 HE2 MET 313 HE2 MET 313 -1.717 0.653 5.998 55 HE3 MET 313 HE3 MET 313 -2.621 2.129 6.331 56 HA PRO 314 HA PRO 314 3.309 -2.475 0.679 57 HB2 PRO 314 HB2 PRO 314 2.534 -1.644 -1.811 58 HB3 PRO 314 HB3 PRO 314 1.777 -3.006 -0.964 59 HG2 PRO 314 HG2 PRO 314 0.823 -0.213 -1.291 60 HG3 PRO 314 HG3 PRO 314 -0.096 -1.725 -1.276 61 HD2 PRO 314 HD2 PRO 314 0.059 0.003 0.848 62 HD3 PRO 314 HD3 PRO 314 -0.281 -1.735 0.998 63 H ILE 315 H ILE 315 4.642 -1.426 -1.408 64 HA ILE 315 HA ILE 315 5.872 1.020 -0.286 65 HB ILE 315 HB ILE 315 6.628 -0.532 -2.777 66 HG12 ILE 315 HG12 ILE 315 6.422 -2.155 -0.960 67 HG13 ILE 315 HG13 ILE 315 8.128 -1.861 -1.281 68 HG21 ILE 315 HG21 ILE 315 8.179 1.181 -0.814 69 HG22 ILE 315 HG22 ILE 315 7.815 1.568 -2.496 70 HG23 ILE 315 HG23 ILE 315 8.917 0.245 -2.113 71 HD11 ILE 315 HD11 ILE 315 8.091 -0.153 0.588 72 HD12 ILE 315 HD12 ILE 315 7.835 -1.818 1.111 73 HD13 ILE 315 HD13 ILE 315 6.465 -0.715 0.978 74 H TRP 316 H TRP 316 3.470 0.318 -2.583 75 HA TRP 316 HA TRP 316 3.977 2.856 -4.078 76 HB2 TRP 316 HB2 TRP 316 2.582 1.819 -5.821 77 HB3 TRP 316 HB3 TRP 316 3.878 0.720 -5.354 78 HD1 TRP 316 HD1 TRP 316 3.236 -1.507 -4.126 79 HE1 TRP 316 HE1 TRP 316 0.986 -2.692 -3.691 80 HE3 TRP 316 HE3 TRP 316 0.002 2.258 -5.334 81 HZ2 TRP 316 HZ2 TRP 316 -1.813 -2.119 -3.838 82 HZ3 TRP 316 HZ3 TRP 316 -2.446 1.912 -5.177 83 HH2 TRP 316 HH2 TRP 316 -3.357 -0.268 -4.432 84 H ALA 317 H ALA 317 1.968 1.495 -1.666 85 HA ALA 317 HA ALA 317 -0.084 3.642 -2.110 86 HB1 ALA 317 HB1 ALA 317 -0.520 0.999 -2.365 87 HB2 ALA 317 HB2 ALA 317 -1.744 2.083 -1.706 88 HB3 ALA 317 HB3 ALA 317 -0.731 1.133 -0.620 89 H ARG 318 H ARG 318 1.608 4.816 -0.692 90 HA ARG 318 HA ARG 318 1.066 4.243 2.202 91 HB2 ARG 318 HB2 ARG 318 3.594 5.031 0.733 92 HB3 ARG 318 HB3 ARG 318 3.439 5.167 2.486 93 HG2 ARG 318 HG2 ARG 318 2.496 2.592 1.856 94 HG3 ARG 318 HG3 ARG 318 3.945 2.811 0.877 95 HD2 ARG 318 HD2 ARG 318 4.629 1.901 3.027 96 HD3 ARG 318 HD3 ARG 318 5.131 3.601 2.982 97 HE ARG 318 HE ARG 318 2.463 3.451 4.015 98 HH11 ARG 318 HH11 ARG 318 3.871 1.180 5.464 99 HH12 ARG 318 HH12 ARG 318 4.463 1.988 6.876 100 HH21 ARG 318 HH21 ARG 318 4.017 5.175 5.554 101 HH22 ARG 318 HH22 ARG 318 4.540 4.263 6.931 102 HA PRO 319 HA PRO 319 -0.304 8.490 2.038 103 HB2 PRO 319 HB2 PRO 319 -0.757 8.784 4.724 104 HB3 PRO 319 HB3 PRO 319 -1.876 7.927 3.646 105 HG2 PRO 319 HG2 PRO 319 0.159 6.831 5.521 106 HG3 PRO 319 HG3 PRO 319 -1.464 6.235 5.141 107 HD2 PRO 319 HD2 PRO 319 0.819 5.149 4.120 108 HD3 PRO 319 HD3 PRO 319 -0.751 5.093 3.290 109 H ASP 320 H ASP 320 2.040 7.325 4.418 110 HA ASP 320 HA ASP 320 3.424 9.979 4.417 111 HB2 ASP 320 HB2 ASP 320 3.538 7.575 6.278 112 HB3 ASP 320 HB3 ASP 320 4.450 9.065 6.509 113 H TYR 321 H TYR 321 3.706 8.297 2.145 114 HA TYR 321 HA TYR 321 5.535 6.381 1.744 115 HB2 TYR 321 HB2 TYR 321 4.452 7.769 0.009 116 HB3 TYR 321 HB3 TYR 321 5.566 9.087 0.373 117 HD1 TYR 321 HD1 TYR 321 5.549 5.464 -0.596 118 HD2 TYR 321 HD2 TYR 321 7.600 9.234 -0.775 119 HE1 TYR 321 HE1 TYR 321 7.226 4.480 -2.133 120 HE2 TYR 321 HE2 TYR 321 9.276 8.249 -2.313 121 HH TYR 321 HH TYR 321 9.036 5.972 -4.079 122 H ASN 322 H ASN 322 7.503 5.907 2.549 123 HA ASN 322 HA ASN 322 9.177 7.783 3.976 124 HB2 ASN 322 HB2 ASN 322 9.565 4.988 2.861 125 HB3 ASN 322 HB3 ASN 322 10.780 5.798 3.847 126 HD21 ASN 322 HD21 ASN 322 7.826 3.984 3.966 127 HD22 ASN 322 HD22 ASN 322 7.564 4.120 5.637 128 HA PRO 323 HA PRO 323 11.540 9.454 0.648 129 HB2 PRO 323 HB2 PRO 323 13.969 9.822 1.860 130 HB3 PRO 323 HB3 PRO 323 12.557 10.845 2.191 131 HG2 PRO 323 HG2 PRO 323 13.663 8.578 3.773 132 HG3 PRO 323 HG3 PRO 323 12.985 10.117 4.328 133 HD2 PRO 323 HD2 PRO 323 11.605 7.775 4.384 134 HD3 PRO 323 HD3 PRO 323 10.825 9.363 4.206 135 HA PRO 324 HA PRO 324 13.455 5.625 -0.754 136 HB2 PRO 324 HB2 PRO 324 13.486 6.291 -3.408 137 HB3 PRO 324 HB3 PRO 324 12.036 5.700 -2.577 138 HG2 PRO 324 HG2 PRO 324 12.778 8.467 -3.351 139 HG3 PRO 324 HG3 PRO 324 11.188 7.689 -3.315 140 HD2 PRO 324 HD2 PRO 324 12.119 9.433 -1.399 141 HD3 PRO 324 HD3 PRO 324 10.840 8.231 -1.135 142 H LEU 325 H LEU 325 15.303 5.507 -2.752 143 HA LEU 325 HA LEU 325 17.638 6.818 -1.606 144 HB2 LEU 325 HB2 LEU 325 17.127 4.558 -3.072 145 HB3 LEU 325 HB3 LEU 325 17.794 5.619 -4.312 146 HG LEU 325 HG LEU 325 19.617 6.119 -2.460 147 HD11 LEU 325 HD11 LEU 325 18.335 4.702 -0.782 148 HD12 LEU 325 HD12 LEU 325 20.037 4.282 -0.969 149 HD13 LEU 325 HD13 LEU 325 18.795 3.294 -1.738 150 HD21 LEU 325 HD21 LEU 325 19.502 3.538 -4.057 151 HD22 LEU 325 HD22 LEU 325 20.969 4.246 -3.382 152 HD23 LEU 325 HD23 LEU 325 20.082 5.097 -4.646 153 H LEU 326 H LEU 326 17.879 9.003 -1.927 154 HA LEU 326 HA LEU 326 18.260 11.024 -3.075 155 HB2 LEU 326 HB2 LEU 326 19.173 9.080 -4.716 156 HB3 LEU 326 HB3 LEU 326 17.881 9.726 -5.729 157 HG LEU 326 HG LEU 326 19.273 11.942 -4.584 158 HD11 LEU 326 HD11 LEU 326 21.531 11.560 -5.507 159 HD12 LEU 326 HD12 LEU 326 21.076 9.910 -5.935 160 HD13 LEU 326 HD13 LEU 326 21.158 10.390 -4.240 161 HD21 LEU 326 HD21 LEU 326 18.057 11.927 -6.728 162 HD22 LEU 326 HD22 LEU 326 19.235 10.798 -7.397 163 HD23 LEU 326 HD23 LEU 326 19.728 12.436 -6.971 164 H GLU 327 H GLU 327 17.052 12.625 -4.388 165 HA GLU 327 HA GLU 327 14.123 12.051 -4.360 166 HB2 GLU 327 HB2 GLU 327 15.904 14.460 -4.127 167 HB3 GLU 327 HB3 GLU 327 14.234 14.684 -4.651 168 HG2 GLU 327 HG2 GLU 327 13.352 13.945 -2.628 169 HG3 GLU 327 HG3 GLU 327 14.778 12.984 -2.240 Start of MODEL 21 1 HA LYS 308 HA LYS 308 6.789 -13.586 -2.898 2 HB2 LYS 308 HB2 LYS 308 5.839 -15.841 -3.957 3 HB3 LYS 308 HB3 LYS 308 4.459 -14.812 -4.337 4 HG2 LYS 308 HG2 LYS 308 6.892 -13.405 -4.974 5 HG3 LYS 308 HG3 LYS 308 6.919 -14.992 -5.741 6 HD2 LYS 308 HD2 LYS 308 4.447 -13.275 -5.887 7 HD3 LYS 308 HD3 LYS 308 5.781 -13.017 -7.010 8 HE2 LYS 308 HE2 LYS 308 5.638 -15.343 -7.776 9 HE3 LYS 308 HE3 LYS 308 4.359 -15.673 -6.593 10 HZ1 LYS 308 HZ1 LYS 308 4.267 -13.759 -8.863 11 HZ2 LYS 308 HZ2 LYS 308 3.116 -13.772 -7.613 12 HZ3 LYS 308 HZ3 LYS 308 3.289 -15.124 -8.626 13 H PHE 309 H PHE 309 4.837 -12.875 -0.742 14 HA PHE 309 HA PHE 309 3.408 -10.720 -2.213 15 HB2 PHE 309 HB2 PHE 309 2.254 -13.088 -0.879 16 HB3 PHE 309 HB3 PHE 309 1.523 -11.561 -0.385 17 HD1 PHE 309 HD1 PHE 309 0.625 -9.989 -2.153 18 HD2 PHE 309 HD2 PHE 309 1.831 -14.017 -3.035 19 HE1 PHE 309 HE2 PHE 309 -0.648 -9.905 -4.279 20 HE2 PHE 309 HE1 PHE 309 0.558 -13.932 -5.160 21 HZ PHE 309 HZ PHE 309 -0.682 -11.876 -5.783 22 HA PRO 310 HA PRO 310 4.924 -8.571 1.359 23 HB2 PRO 310 HB2 PRO 310 3.617 -6.200 0.951 24 HB3 PRO 310 HB3 PRO 310 5.038 -6.696 0.009 25 HG2 PRO 310 HG2 PRO 310 2.159 -6.779 -0.722 26 HG3 PRO 310 HG3 PRO 310 3.570 -6.412 -1.725 27 HD2 PRO 310 HD2 PRO 310 2.260 -8.819 -1.736 28 HD3 PRO 310 HD3 PRO 310 3.963 -8.607 -2.197 29 H ARG 311 H ARG 311 4.163 -8.712 3.438 30 HA ARG 311 HA ARG 311 1.390 -9.344 3.991 31 HB2 ARG 311 HB2 ARG 311 2.181 -9.809 6.154 32 HB3 ARG 311 HB3 ARG 311 3.591 -10.095 5.151 33 HG2 ARG 311 HG2 ARG 311 3.035 -7.666 6.883 34 HG3 ARG 311 HG3 ARG 311 4.297 -8.865 7.103 35 HD2 ARG 311 HD2 ARG 311 4.171 -7.174 4.593 36 HD3 ARG 311 HD3 ARG 311 5.027 -6.635 6.048 37 HE ARG 311 HE ARG 311 5.633 -9.294 4.808 38 HH11 ARG 311 HH11 ARG 311 7.086 -6.760 3.846 39 HH12 ARG 311 HH12 ARG 311 8.537 -6.844 4.786 40 HH21 ARG 311 HH21 ARG 311 7.267 -9.189 7.016 41 HH22 ARG 311 HH22 ARG 311 8.640 -8.225 6.589 42 H ALA 312 H ALA 312 0.523 -7.335 2.938 43 HA ALA 312 HA ALA 312 -0.632 -5.294 3.155 44 HB1 ALA 312 HB1 ALA 312 -1.412 -4.824 5.306 45 HB2 ALA 312 HB2 ALA 312 0.123 -5.245 6.063 46 HB3 ALA 312 HB3 ALA 312 -0.947 -6.517 5.474 47 H MET 313 H MET 313 -0.238 -2.933 3.980 48 HA MET 313 HA MET 313 1.134 -1.019 3.874 49 HB2 MET 313 HB2 MET 313 1.849 -2.430 5.984 50 HB3 MET 313 HB3 MET 313 3.320 -2.718 5.055 51 HG2 MET 313 HG2 MET 313 3.570 -0.248 4.767 52 HG3 MET 313 HG3 MET 313 2.168 -0.015 5.810 53 HE1 MET 313 HE1 MET 313 3.017 -1.521 9.077 54 HE2 MET 313 HE2 MET 313 1.828 -1.148 7.831 55 HE3 MET 313 HE3 MET 313 2.625 0.162 8.699 56 HA PRO 314 HA PRO 314 3.347 -2.822 0.175 57 HB2 PRO 314 HB2 PRO 314 2.115 -1.234 -1.686 58 HB3 PRO 314 HB3 PRO 314 1.470 -2.802 -1.166 59 HG2 PRO 314 HG2 PRO 314 0.679 -0.057 -0.323 60 HG3 PRO 314 HG3 PRO 314 -0.335 -1.472 -0.645 61 HD2 PRO 314 HD2 PRO 314 0.310 -0.651 1.863 62 HD3 PRO 314 HD3 PRO 314 -0.003 -2.352 1.448 63 H ILE 315 H ILE 315 4.448 -1.321 -1.620 64 HA ILE 315 HA ILE 315 5.663 0.986 -0.148 65 HB ILE 315 HB ILE 315 7.164 0.464 -2.473 66 HG12 ILE 315 HG12 ILE 315 7.712 -2.032 -1.944 67 HG13 ILE 315 HG13 ILE 315 6.093 -2.083 -1.253 68 HG21 ILE 315 HG21 ILE 315 7.480 -0.213 0.449 69 HG22 ILE 315 HG22 ILE 315 8.230 1.096 -0.466 70 HG23 ILE 315 HG23 ILE 315 8.747 -0.571 -0.724 71 HD11 ILE 315 HD11 ILE 315 5.632 -2.670 -3.456 72 HD12 ILE 315 HD12 ILE 315 6.929 -1.665 -4.101 73 HD13 ILE 315 HD13 ILE 315 5.432 -0.920 -3.544 74 H TRP 316 H TRP 316 3.416 0.388 -2.560 75 HA TRP 316 HA TRP 316 4.015 2.943 -3.983 76 HB2 TRP 316 HB2 TRP 316 2.546 1.965 -5.749 77 HB3 TRP 316 HB3 TRP 316 3.924 0.933 -5.378 78 HD1 TRP 316 HD1 TRP 316 3.466 -1.403 -4.323 79 HE1 TRP 316 HE1 TRP 316 1.316 -2.753 -3.852 80 HE3 TRP 316 HE3 TRP 316 -0.039 2.236 -5.054 81 HZ2 TRP 316 HZ2 TRP 316 -1.516 -2.338 -3.794 82 HZ3 TRP 316 HZ3 TRP 316 -2.449 1.735 -4.785 83 HH2 TRP 316 HH2 TRP 316 -3.191 -0.543 -4.156 84 H ALA 317 H ALA 317 1.866 1.542 -1.703 85 HA ALA 317 HA ALA 317 -0.128 3.737 -2.181 86 HB1 ALA 317 HB1 ALA 317 -1.152 1.600 -0.560 87 HB2 ALA 317 HB2 ALA 317 -0.367 0.894 -1.973 88 HB3 ALA 317 HB3 ALA 317 -1.659 2.076 -2.180 89 H ARG 318 H ARG 318 1.620 4.909 -0.794 90 HA ARG 318 HA ARG 318 1.007 4.489 2.115 91 HB2 ARG 318 HB2 ARG 318 3.627 5.411 0.887 92 HB3 ARG 318 HB3 ARG 318 3.341 4.982 2.572 93 HG2 ARG 318 HG2 ARG 318 2.660 2.657 1.660 94 HG3 ARG 318 HG3 ARG 318 3.451 3.163 0.165 95 HD2 ARG 318 HD2 ARG 318 4.787 3.179 2.898 96 HD3 ARG 318 HD3 ARG 318 5.011 1.917 1.672 97 HE ARG 318 HE ARG 318 5.645 4.009 0.164 98 HH11 ARG 318 HH11 ARG 318 7.467 2.532 2.363 99 HH12 ARG 318 HH12 ARG 318 8.396 3.897 2.881 100 HH21 ARG 318 HH21 ARG 318 6.344 6.222 1.310 101 HH22 ARG 318 HH22 ARG 318 7.757 5.997 2.283 102 HA PRO 319 HA PRO 319 0.108 8.816 2.237 103 HB2 PRO 319 HB2 PRO 319 1.197 9.568 4.639 104 HB3 PRO 319 HB3 PRO 319 -0.299 8.621 4.514 105 HG2 PRO 319 HG2 PRO 319 2.480 7.705 5.083 106 HG3 PRO 319 HG3 PRO 319 0.951 7.183 5.808 107 HD2 PRO 319 HD2 PRO 319 2.239 5.741 3.914 108 HD3 PRO 319 HD3 PRO 319 0.468 5.745 4.082 109 H ASP 320 H ASP 320 3.405 7.850 3.026 110 HA ASP 320 HA ASP 320 4.481 10.379 1.839 111 HB2 ASP 320 HB2 ASP 320 5.423 8.366 3.885 112 HB3 ASP 320 HB3 ASP 320 6.588 9.411 3.072 113 H TYR 321 H TYR 321 3.472 8.272 0.157 114 HA TYR 321 HA TYR 321 5.053 6.244 -0.789 115 HB2 TYR 321 HB2 TYR 321 2.919 6.845 -1.756 116 HB3 TYR 321 HB3 TYR 321 3.548 8.396 -2.302 117 HD1 TYR 321 HD1 TYR 321 4.939 4.910 -2.510 118 HD2 TYR 321 HD2 TYR 321 3.611 8.400 -4.633 119 HE1 TYR 321 HE1 TYR 321 5.645 3.877 -4.648 120 HE2 TYR 321 HE2 TYR 321 4.315 7.366 -6.773 121 HH TYR 321 HH TYR 321 4.621 4.724 -7.523 122 H ASN 322 H ASN 322 7.153 6.106 -1.371 123 HA ASN 322 HA ASN 322 8.946 8.304 -1.623 124 HB2 ASN 322 HB2 ASN 322 10.528 6.605 -2.279 125 HB3 ASN 322 HB3 ASN 322 9.426 5.855 -1.129 126 HD21 ASN 322 HD21 ASN 322 8.045 4.143 -1.902 127 HD22 ASN 322 HD22 ASN 322 8.140 3.538 -3.486 128 HA PRO 323 HA PRO 323 8.244 9.676 -5.751 129 HB2 PRO 323 HB2 PRO 323 10.697 10.748 -6.321 130 HB3 PRO 323 HB3 PRO 323 9.535 11.519 -5.223 131 HG2 PRO 323 HG2 PRO 323 11.958 9.917 -4.594 132 HG3 PRO 323 HG3 PRO 323 11.296 11.338 -3.771 133 HD2 PRO 323 HD2 PRO 323 11.003 8.765 -2.873 134 HD3 PRO 323 HD3 PRO 323 9.887 10.091 -2.483 135 HA PRO 324 HA PRO 324 9.950 6.063 -7.853 136 HB2 PRO 324 HB2 PRO 324 8.195 6.119 -9.952 137 HB3 PRO 324 HB3 PRO 324 7.789 5.438 -8.366 138 HG2 PRO 324 HG2 PRO 324 7.059 8.066 -9.539 139 HG3 PRO 324 HG3 PRO 324 6.118 6.997 -8.488 140 HD2 PRO 324 HD2 PRO 324 7.412 9.261 -7.631 141 HD3 PRO 324 HD3 PRO 324 7.005 7.883 -6.586 142 H LEU 325 H LEU 325 10.371 5.794 -10.433 143 HA LEU 325 HA LEU 325 12.126 8.058 -11.172 144 HB2 LEU 325 HB2 LEU 325 12.055 5.227 -11.483 145 HB3 LEU 325 HB3 LEU 325 12.003 5.917 -13.104 146 HG LEU 325 HG LEU 325 14.331 5.565 -12.373 147 HD11 LEU 325 HD11 LEU 325 13.878 8.539 -12.268 148 HD12 LEU 325 HD12 LEU 325 13.506 7.637 -13.736 149 HD13 LEU 325 HD13 LEU 325 15.149 7.640 -13.096 150 HD21 LEU 325 HD21 LEU 325 15.241 6.549 -10.428 151 HD22 LEU 325 HD22 LEU 325 13.667 5.959 -9.894 152 HD23 LEU 325 HD23 LEU 325 13.890 7.671 -10.255 153 H LEU 326 H LEU 326 11.724 9.458 -12.880 154 HA LEU 326 HA LEU 326 9.586 8.853 -14.841 155 HB2 LEU 326 HB2 LEU 326 8.977 10.152 -12.494 156 HB3 LEU 326 HB3 LEU 326 9.315 11.508 -13.570 157 HG LEU 326 HG LEU 326 7.527 9.247 -14.456 158 HD11 LEU 326 HD11 LEU 326 6.570 10.043 -12.355 159 HD12 LEU 326 HD12 LEU 326 5.602 10.644 -13.700 160 HD13 LEU 326 HD13 LEU 326 6.738 11.717 -12.882 161 HD21 LEU 326 HD21 LEU 326 6.547 11.338 -15.693 162 HD22 LEU 326 HD22 LEU 326 8.064 10.645 -16.268 163 HD23 LEU 326 HD23 LEU 326 8.082 12.096 -15.265 164 H GLU 327 H GLU 327 11.019 9.089 -16.576 165 HA GLU 327 HA GLU 327 12.360 10.188 -18.171 166 HB2 GLU 327 HB2 GLU 327 10.288 11.826 -17.405 167 HB3 GLU 327 HB3 GLU 327 11.683 12.866 -17.121 168 HG2 GLU 327 HG2 GLU 327 12.448 12.559 -19.403 169 HG3 GLU 327 HG3 GLU 327 11.187 11.365 -19.707 Start of MODEL 22 1 HA LYS 308 HA LYS 308 -12.940 -1.463 5.919 2 HB2 LYS 308 HB2 LYS 308 -14.668 -0.391 7.612 3 HB3 LYS 308 HB3 LYS 308 -13.351 -0.588 8.768 4 HG2 LYS 308 HG2 LYS 308 -11.888 0.551 6.928 5 HG3 LYS 308 HG3 LYS 308 -13.433 1.095 6.274 6 HD2 LYS 308 HD2 LYS 308 -13.993 2.219 8.337 7 HD3 LYS 308 HD3 LYS 308 -12.594 1.521 9.154 8 HE2 LYS 308 HE2 LYS 308 -11.065 2.782 7.725 9 HE3 LYS 308 HE3 LYS 308 -12.427 3.408 6.774 10 HZ1 LYS 308 HZ1 LYS 308 -12.073 3.789 9.704 11 HZ2 LYS 308 HZ2 LYS 308 -13.334 4.421 8.756 12 HZ3 LYS 308 HZ3 LYS 308 -11.741 4.965 8.529 13 H PHE 309 H PHE 309 -11.086 -2.795 5.805 14 HA PHE 309 HA PHE 309 -9.392 -2.860 8.243 15 HB2 PHE 309 HB2 PHE 309 -10.957 -4.941 7.916 16 HB3 PHE 309 HB3 PHE 309 -9.814 -5.381 6.647 17 HD1 PHE 309 HD1 PHE 309 -10.205 -4.741 10.274 18 HD2 PHE 309 HD2 PHE 309 -7.566 -6.100 7.169 19 HE1 PHE 309 HE2 PHE 309 -8.642 -5.619 11.987 20 HE2 PHE 309 HE1 PHE 309 -6.004 -6.979 8.882 21 HZ PHE 309 HZ PHE 309 -6.541 -6.738 11.291 22 HA PRO 310 HA PRO 310 -6.489 -1.941 4.998 23 HB2 PRO 310 HB2 PRO 310 -4.229 -1.967 6.544 24 HB3 PRO 310 HB3 PRO 310 -5.385 -0.620 6.539 25 HG2 PRO 310 HG2 PRO 310 -5.064 -2.830 8.504 26 HG3 PRO 310 HG3 PRO 310 -5.448 -1.124 8.777 27 HD2 PRO 310 HD2 PRO 310 -7.306 -3.123 8.832 28 HD3 PRO 310 HD3 PRO 310 -7.683 -1.436 8.417 29 H ARG 311 H ARG 311 -4.688 -3.052 3.898 30 HA ARG 311 HA ARG 311 -4.415 -5.942 4.676 31 HB2 ARG 311 HB2 ARG 311 -5.279 -4.573 2.225 32 HB3 ARG 311 HB3 ARG 311 -4.008 -5.759 1.930 33 HG2 ARG 311 HG2 ARG 311 -5.694 -7.278 1.918 34 HG3 ARG 311 HG3 ARG 311 -5.647 -7.116 3.674 35 HD2 ARG 311 HD2 ARG 311 -7.791 -6.379 3.581 36 HD3 ARG 311 HD3 ARG 311 -7.199 -4.934 2.740 37 HE ARG 311 HE ARG 311 -7.545 -6.117 0.601 38 HH11 ARG 311 HH11 ARG 311 -10.222 -6.176 2.021 39 HH12 ARG 311 HH12 ARG 311 -10.689 -7.830 1.815 40 HH21 ARG 311 HH21 ARG 311 -7.494 -8.895 0.949 41 HH22 ARG 311 HH22 ARG 311 -9.137 -9.377 1.206 42 H ALA 312 H ALA 312 -2.389 -5.657 5.724 43 HA ALA 312 HA ALA 312 -0.044 -5.476 5.868 44 HB1 ALA 312 HB1 ALA 312 1.040 -6.438 4.045 45 HB2 ALA 312 HB2 ALA 312 0.058 -5.562 2.870 46 HB3 ALA 312 HB3 ALA 312 -0.621 -6.942 3.733 47 H MET 313 H MET 313 1.850 -4.225 4.283 48 HA MET 313 HA MET 313 0.842 -1.433 3.880 49 HB2 MET 313 HB2 MET 313 2.744 -2.533 5.850 50 HB3 MET 313 HB3 MET 313 3.344 -1.116 4.991 51 HG2 MET 313 HG2 MET 313 0.536 -0.938 5.917 52 HG3 MET 313 HG3 MET 313 1.753 -0.973 7.193 53 HE1 MET 313 HE1 MET 313 0.951 1.447 7.935 54 HE2 MET 313 HE2 MET 313 -0.245 1.341 6.646 55 HE3 MET 313 HE3 MET 313 0.747 2.788 6.799 56 HA PRO 314 HA PRO 314 3.392 -2.703 0.294 57 HB2 PRO 314 HB2 PRO 314 1.995 -1.220 -1.530 58 HB3 PRO 314 HB3 PRO 314 1.506 -2.847 -1.025 59 HG2 PRO 314 HG2 PRO 314 0.450 -0.202 -0.173 60 HG3 PRO 314 HG3 PRO 314 -0.411 -1.723 -0.456 61 HD2 PRO 314 HD2 PRO 314 0.227 -0.773 2.026 62 HD3 PRO 314 HD3 PRO 314 -0.002 -2.495 1.654 63 H ILE 315 H ILE 315 4.333 -1.093 -1.488 64 HA ILE 315 HA ILE 315 5.417 1.264 -0.011 65 HB ILE 315 HB ILE 315 6.319 -0.047 -2.596 66 HG12 ILE 315 HG12 ILE 315 6.396 -1.679 -0.760 67 HG13 ILE 315 HG13 ILE 315 8.030 -1.174 -1.183 68 HG21 ILE 315 HG21 ILE 315 7.529 1.984 -0.717 69 HG22 ILE 315 HG22 ILE 315 7.286 2.112 -2.458 70 HG23 ILE 315 HG23 ILE 315 8.527 1.035 -1.818 71 HD11 ILE 315 HD11 ILE 315 7.990 0.460 0.691 72 HD12 ILE 315 HD12 ILE 315 7.763 -1.195 1.256 73 HD13 ILE 315 HD13 ILE 315 6.380 -0.110 1.131 74 H TRP 316 H TRP 316 4.073 0.375 -3.174 75 HA TRP 316 HA TRP 316 3.964 2.996 -4.300 76 HB2 TRP 316 HB2 TRP 316 2.443 1.933 -5.910 77 HB3 TRP 316 HB3 TRP 316 3.767 0.837 -5.528 78 HD1 TRP 316 HD1 TRP 316 3.219 -1.305 -4.038 79 HE1 TRP 316 HE1 TRP 316 1.001 -2.509 -3.508 80 HE3 TRP 316 HE3 TRP 316 -0.109 2.284 -5.501 81 HZ2 TRP 316 HZ2 TRP 316 -1.813 -2.015 -3.680 82 HZ3 TRP 316 HZ3 TRP 316 -2.549 1.892 -5.309 83 HH2 TRP 316 HH2 TRP 316 -3.403 -0.251 -4.400 84 H ALA 317 H ALA 317 1.858 1.362 -2.020 85 HA ALA 317 HA ALA 317 -0.093 3.635 -2.173 86 HB1 ALA 317 HB1 ALA 317 -1.402 1.764 -2.442 87 HB2 ALA 317 HB2 ALA 317 -1.298 1.698 -0.683 88 HB3 ALA 317 HB3 ALA 317 -0.222 0.707 -1.668 89 H ARG 318 H ARG 318 1.713 4.772 -0.858 90 HA ARG 318 HA ARG 318 1.345 4.157 2.055 91 HB2 ARG 318 HB2 ARG 318 3.715 4.279 0.355 92 HB3 ARG 318 HB3 ARG 318 3.842 5.376 1.731 93 HG2 ARG 318 HG2 ARG 318 3.414 3.582 3.291 94 HG3 ARG 318 HG3 ARG 318 3.031 2.468 1.977 95 HD2 ARG 318 HD2 ARG 318 5.370 2.714 1.127 96 HD3 ARG 318 HD3 ARG 318 5.741 3.723 2.540 97 HE ARG 318 HE ARG 318 4.849 0.867 2.717 98 HH11 ARG 318 HH11 ARG 318 4.439 2.493 5.192 99 HH12 ARG 318 HH12 ARG 318 5.919 2.232 6.056 100 HH21 ARG 318 HH21 ARG 318 7.630 1.036 3.276 101 HH22 ARG 318 HH22 ARG 318 7.734 1.404 4.964 102 HA PRO 319 HA PRO 319 -0.004 8.429 1.862 103 HB2 PRO 319 HB2 PRO 319 -0.679 8.627 4.508 104 HB3 PRO 319 HB3 PRO 319 -1.720 7.848 3.300 105 HG2 PRO 319 HG2 PRO 319 0.125 6.617 5.286 106 HG3 PRO 319 HG3 PRO 319 -1.481 6.089 4.761 107 HD2 PRO 319 HD2 PRO 319 0.824 4.956 3.868 108 HD3 PRO 319 HD3 PRO 319 -0.668 5.021 2.903 109 H ASP 320 H ASP 320 2.157 7.113 4.339 110 HA ASP 320 HA ASP 320 3.484 9.775 4.638 111 HB2 ASP 320 HB2 ASP 320 2.505 8.157 6.522 112 HB3 ASP 320 HB3 ASP 320 4.079 7.381 6.343 113 H TYR 321 H TYR 321 3.998 8.280 2.238 114 HA TYR 321 HA TYR 321 6.257 6.562 2.313 115 HB2 TYR 321 HB2 TYR 321 4.805 6.878 0.364 116 HB3 TYR 321 HB3 TYR 321 5.310 8.562 0.233 117 HD1 TYR 321 HD1 TYR 321 6.814 5.121 0.403 118 HD2 TYR 321 HD2 TYR 321 7.046 9.088 -1.230 119 HE1 TYR 321 HE1 TYR 321 8.757 4.441 -0.976 120 HE2 TYR 321 HE2 TYR 321 8.989 8.405 -2.610 121 HH TYR 321 HH TYR 321 10.869 6.072 -2.106 122 H ASN 322 H ASN 322 8.322 6.988 2.880 123 HA ASN 322 HA ASN 322 9.263 9.619 3.614 124 HB2 ASN 322 HB2 ASN 322 11.327 8.423 4.088 125 HB3 ASN 322 HB3 ASN 322 9.979 7.388 4.553 126 HD21 ASN 322 HD21 ASN 322 9.646 5.416 3.339 127 HD22 ASN 322 HD22 ASN 322 10.728 4.893 2.142 128 HA PRO 323 HA PRO 323 10.850 11.036 -0.245 129 HB2 PRO 323 HB2 PRO 323 12.966 12.560 0.585 130 HB3 PRO 323 HB3 PRO 323 11.276 13.054 0.802 131 HG2 PRO 323 HG2 PRO 323 13.176 11.895 2.768 132 HG3 PRO 323 HG3 PRO 323 11.918 13.119 2.996 133 HD2 PRO 323 HD2 PRO 323 11.666 10.481 3.722 134 HD3 PRO 323 HD3 PRO 323 10.299 11.563 3.373 135 HA PRO 324 HA PRO 324 14.052 7.901 -0.791 136 HB2 PRO 324 HB2 PRO 324 13.780 7.704 -3.505 137 HB3 PRO 324 HB3 PRO 324 12.695 6.896 -2.362 138 HG2 PRO 324 HG2 PRO 324 12.276 9.374 -3.939 139 HG3 PRO 324 HG3 PRO 324 11.121 8.111 -3.493 140 HD2 PRO 324 HD2 PRO 324 11.309 10.556 -2.249 141 HD3 PRO 324 HD3 PRO 324 10.627 9.096 -1.503 142 H LEU 325 H LEU 325 15.909 7.810 -2.590 143 HA LEU 325 HA LEU 325 17.010 10.589 -2.887 144 HB2 LEU 325 HB2 LEU 325 18.021 8.882 -1.230 145 HB3 LEU 325 HB3 LEU 325 18.586 8.017 -2.658 146 HG LEU 325 HG LEU 325 19.179 10.849 -2.882 147 HD11 LEU 325 HD11 LEU 325 19.223 10.767 -0.416 148 HD12 LEU 325 HD12 LEU 325 20.851 10.961 -1.064 149 HD13 LEU 325 HD13 LEU 325 20.318 9.386 -0.479 150 HD21 LEU 325 HD21 LEU 325 20.191 8.764 -4.037 151 HD22 LEU 325 HD22 LEU 325 21.133 8.566 -2.560 152 HD23 LEU 325 HD23 LEU 325 21.308 10.030 -3.529 153 H LEU 326 H LEU 326 16.814 11.130 -5.033 154 HA LEU 326 HA LEU 326 17.045 11.031 -7.371 155 HB2 LEU 326 HB2 LEU 326 19.124 9.372 -6.158 156 HB3 LEU 326 HB3 LEU 326 18.702 8.811 -7.774 157 HG LEU 326 HG LEU 326 20.523 10.503 -7.814 158 HD11 LEU 326 HD11 LEU 326 18.795 10.252 -9.667 159 HD12 LEU 326 HD12 LEU 326 19.627 11.805 -9.610 160 HD13 LEU 326 HD13 LEU 326 17.985 11.661 -8.985 161 HD21 LEU 326 HD21 LEU 326 19.711 11.766 -5.802 162 HD22 LEU 326 HD22 LEU 326 18.396 12.409 -6.787 163 HD23 LEU 326 HD23 LEU 326 20.068 12.808 -7.180 164 H GLU 327 H GLU 327 16.970 9.184 -9.239 165 HA GLU 327 HA GLU 327 14.420 7.783 -8.801 166 HB2 GLU 327 HB2 GLU 327 14.595 7.365 -11.220 167 HB3 GLU 327 HB3 GLU 327 14.961 9.053 -10.870 168 HG2 GLU 327 HG2 GLU 327 17.437 7.784 -10.667 169 HG3 GLU 327 HG3 GLU 327 16.669 6.995 -12.043 Start of MODEL 23 1 HA LYS 308 HA LYS 308 0.417 2.949 17.297 2 HB2 LYS 308 HB2 LYS 308 1.952 4.615 18.324 3 HB3 LYS 308 HB3 LYS 308 1.344 3.473 19.522 4 HG2 LYS 308 HG2 LYS 308 3.399 2.309 19.632 5 HG3 LYS 308 HG3 LYS 308 3.965 2.984 18.104 6 HD2 LYS 308 HD2 LYS 308 3.403 5.176 19.832 7 HD3 LYS 308 HD3 LYS 308 4.347 4.012 20.759 8 HE2 LYS 308 HE2 LYS 308 5.434 4.258 18.077 9 HE3 LYS 308 HE3 LYS 308 5.350 5.845 18.867 10 HZ1 LYS 308 HZ1 LYS 308 6.471 3.373 20.087 11 HZ2 LYS 308 HZ2 LYS 308 6.392 4.900 20.830 12 HZ3 LYS 308 HZ3 LYS 308 7.388 4.662 19.474 13 H PHE 309 H PHE 309 1.685 1.071 15.536 14 HA PHE 309 HA PHE 309 3.545 2.894 14.043 15 HB2 PHE 309 HB2 PHE 309 3.704 -0.098 14.530 16 HB3 PHE 309 HB3 PHE 309 4.740 0.764 13.394 17 HD1 PHE 309 HD1 PHE 309 6.015 2.857 14.361 18 HD2 PHE 309 HD2 PHE 309 4.377 -0.307 16.763 19 HE1 PHE 309 HE2 PHE 309 7.533 3.481 16.219 20 HE2 PHE 309 HE1 PHE 309 5.897 0.317 18.620 21 HZ PHE 309 HZ PHE 309 7.475 2.210 18.348 22 HA PRO 310 HA PRO 310 0.002 1.612 11.363 23 HB2 PRO 310 HB2 PRO 310 -0.413 4.086 10.266 24 HB3 PRO 310 HB3 PRO 310 -1.149 3.571 11.795 25 HG2 PRO 310 HG2 PRO 310 1.208 5.318 11.325 26 HG3 PRO 310 HG3 PRO 310 -0.052 5.429 12.562 27 HD2 PRO 310 HD2 PRO 310 2.461 4.435 13.016 28 HD3 PRO 310 HD3 PRO 310 1.028 3.997 13.971 29 H ARG 311 H ARG 311 2.005 0.517 10.374 30 HA ARG 311 HA ARG 311 2.753 1.908 7.826 31 HB2 ARG 311 HB2 ARG 311 4.449 0.553 9.925 32 HB3 ARG 311 HB3 ARG 311 5.018 0.684 8.261 33 HG2 ARG 311 HG2 ARG 311 4.208 3.232 8.650 34 HG3 ARG 311 HG3 ARG 311 4.641 2.810 10.306 35 HD2 ARG 311 HD2 ARG 311 6.893 2.498 9.783 36 HD3 ARG 311 HD3 ARG 311 6.549 2.114 8.084 37 HE ARG 311 HE ARG 311 5.936 4.542 7.796 38 HH11 ARG 311 HH11 ARG 311 6.035 4.963 10.872 39 HH12 ARG 311 HH12 ARG 311 7.496 5.885 11.009 40 HH21 ARG 311 HH21 ARG 311 8.591 5.114 7.799 41 HH22 ARG 311 HH22 ARG 311 8.950 5.968 9.262 42 H ALA 312 H ALA 312 0.683 -0.151 8.337 43 HA ALA 312 HA ALA 312 1.844 -2.641 7.205 44 HB1 ALA 312 HB1 ALA 312 0.233 -2.595 9.140 45 HB2 ALA 312 HB2 ALA 312 -0.340 -3.565 7.782 46 HB3 ALA 312 HB3 ALA 312 -0.992 -1.948 8.048 47 H MET 313 H MET 313 2.245 -1.020 5.219 48 HA MET 313 HA MET 313 0.032 -1.514 3.277 49 HB2 MET 313 HB2 MET 313 1.163 1.075 4.252 50 HB3 MET 313 HB3 MET 313 0.786 0.964 2.534 51 HG2 MET 313 HG2 MET 313 -1.499 0.592 2.928 52 HG3 MET 313 HG3 MET 313 -1.223 0.071 4.590 53 HE1 MET 313 HE1 MET 313 -3.370 2.212 3.443 54 HE2 MET 313 HE2 MET 313 -3.377 3.348 4.789 55 HE3 MET 313 HE3 MET 313 -3.315 1.617 5.109 56 HA PRO 314 HA PRO 314 3.376 -2.502 0.585 57 HB2 PRO 314 HB2 PRO 314 2.456 -1.634 -1.842 58 HB3 PRO 314 HB3 PRO 314 1.837 -3.085 -1.034 59 HG2 PRO 314 HG2 PRO 314 0.666 -0.356 -1.183 60 HG3 PRO 314 HG3 PRO 314 -0.138 -1.931 -1.245 61 HD2 PRO 314 HD2 PRO 314 -0.088 -0.355 0.980 62 HD3 PRO 314 HD3 PRO 314 -0.217 -2.127 1.036 63 H ILE 315 H ILE 315 4.743 -1.363 -1.299 64 HA ILE 315 HA ILE 315 5.755 1.144 -0.170 65 HB ILE 315 HB ILE 315 6.506 -0.282 -2.739 66 HG12 ILE 315 HG12 ILE 315 6.569 -1.888 -0.886 67 HG13 ILE 315 HG13 ILE 315 8.211 -1.454 -1.350 68 HG21 ILE 315 HG21 ILE 315 8.788 0.702 -2.046 69 HG22 ILE 315 HG22 ILE 315 7.870 1.723 -0.939 70 HG23 ILE 315 HG23 ILE 315 7.585 1.827 -2.676 71 HD11 ILE 315 HD11 ILE 315 8.144 -1.372 1.044 72 HD12 ILE 315 HD12 ILE 315 6.642 -0.448 1.034 73 HD13 ILE 315 HD13 ILE 315 8.142 0.302 0.491 74 H TRP 316 H TRP 316 3.797 0.213 -2.926 75 HA TRP 316 HA TRP 316 3.927 2.866 -4.181 76 HB2 TRP 316 HB2 TRP 316 2.484 1.806 -5.856 77 HB3 TRP 316 HB3 TRP 316 3.813 0.725 -5.446 78 HD1 TRP 316 HD1 TRP 316 3.254 -1.501 -4.159 79 HE1 TRP 316 HE1 TRP 316 1.037 -2.724 -3.658 80 HE3 TRP 316 HE3 TRP 316 -0.081 2.194 -5.309 81 HZ2 TRP 316 HZ2 TRP 316 -1.776 -2.203 -3.731 82 HZ3 TRP 316 HZ3 TRP 316 -2.517 1.806 -5.084 83 HH2 TRP 316 HH2 TRP 316 -3.368 -0.384 -4.296 84 H ALA 317 H ALA 317 2.010 1.427 -1.713 85 HA ALA 317 HA ALA 317 -0.083 3.555 -2.073 86 HB1 ALA 317 HB1 ALA 317 -0.580 1.031 -0.539 87 HB2 ALA 317 HB2 ALA 317 -0.507 0.927 -2.298 88 HB3 ALA 317 HB3 ALA 317 -1.694 1.977 -1.526 89 H ARG 318 H ARG 318 1.616 4.802 -0.737 90 HA ARG 318 HA ARG 318 1.191 4.266 2.183 91 HB2 ARG 318 HB2 ARG 318 3.670 5.004 0.613 92 HB3 ARG 318 HB3 ARG 318 3.577 5.198 2.364 93 HG2 ARG 318 HG2 ARG 318 2.637 2.640 2.036 94 HG3 ARG 318 HG3 ARG 318 3.843 2.749 0.754 95 HD2 ARG 318 HD2 ARG 318 5.515 3.548 2.416 96 HD3 ARG 318 HD3 ARG 318 4.305 3.338 3.698 97 HE ARG 318 HE ARG 318 4.889 1.010 1.939 98 HH11 ARG 318 HH11 ARG 318 3.313 0.969 4.557 99 HH12 ARG 318 HH12 ARG 318 4.474 0.265 5.633 100 HH21 ARG 318 HH21 ARG 318 7.165 0.819 3.500 101 HH22 ARG 318 HH22 ARG 318 6.664 0.172 5.026 102 HA PRO 319 HA PRO 319 0.167 8.546 2.506 103 HB2 PRO 319 HB2 PRO 319 1.213 9.184 4.963 104 HB3 PRO 319 HB3 PRO 319 -0.210 8.153 4.762 105 HG2 PRO 319 HG2 PRO 319 2.605 7.399 5.329 106 HG3 PRO 319 HG3 PRO 319 1.100 6.695 5.939 107 HD2 PRO 319 HD2 PRO 319 2.619 5.599 3.941 108 HD3 PRO 319 HD3 PRO 319 0.878 5.310 4.152 109 H ASP 320 H ASP 320 2.100 10.355 4.129 110 HA ASP 320 HA ASP 320 3.742 11.224 1.881 111 HB2 ASP 320 HB2 ASP 320 3.286 12.052 4.747 112 HB3 ASP 320 HB3 ASP 320 4.548 12.820 3.784 113 H TYR 321 H TYR 321 4.498 8.554 2.605 114 HA TYR 321 HA TYR 321 6.887 8.615 4.284 115 HB2 TYR 321 HB2 TYR 321 6.636 6.338 4.193 116 HB3 TYR 321 HB3 TYR 321 5.044 6.739 3.560 117 HD1 TYR 321 HD1 TYR 321 4.931 7.113 0.934 118 HD2 TYR 321 HD2 TYR 321 8.033 4.937 2.961 119 HE1 TYR 321 HE2 TYR 321 5.500 5.944 -1.181 120 HE2 TYR 321 HE1 TYR 321 8.598 3.771 0.850 121 HH TYR 321 HH TYR 321 6.619 3.684 -1.792 122 H ASN 322 H ASN 322 8.821 7.278 3.031 123 HA ASN 322 HA ASN 322 10.335 9.027 1.508 124 HB2 ASN 322 HB2 ASN 322 10.168 6.010 1.184 125 HB3 ASN 322 HB3 ASN 322 11.554 7.014 0.770 126 HD21 ASN 322 HD21 ASN 322 10.542 4.948 3.132 127 HD22 ASN 322 HD22 ASN 322 11.343 5.621 4.470 128 HA PRO 323 HA PRO 323 8.575 9.349 -2.515 129 HB2 PRO 323 HB2 PRO 323 10.828 9.520 -4.072 130 HB3 PRO 323 HB3 PRO 323 10.245 10.849 -3.051 131 HG2 PRO 323 HG2 PRO 323 12.406 8.862 -2.523 132 HG3 PRO 323 HG3 PRO 323 12.371 10.603 -2.193 133 HD2 PRO 323 HD2 PRO 323 11.949 8.757 -0.268 134 HD3 PRO 323 HD3 PRO 323 11.153 10.347 -0.255 135 HA PRO 324 HA PRO 324 8.722 4.985 -3.616 136 HB2 PRO 324 HB2 PRO 324 6.460 5.026 -5.157 137 HB3 PRO 324 HB3 PRO 324 6.425 4.946 -3.387 138 HG2 PRO 324 HG2 PRO 324 6.008 7.277 -5.185 139 HG3 PRO 324 HG3 PRO 324 5.184 6.855 -3.676 140 HD2 PRO 324 HD2 PRO 324 7.137 8.752 -3.847 141 HD3 PRO 324 HD3 PRO 324 6.798 7.820 -2.372 142 H LEU 325 H LEU 325 8.426 3.861 -5.882 143 HA LEU 325 HA LEU 325 9.306 3.570 -8.053 144 HB2 LEU 325 HB2 LEU 325 7.963 6.226 -7.920 145 HB3 LEU 325 HB3 LEU 325 8.970 5.934 -9.336 146 HG LEU 325 HG LEU 325 6.671 5.232 -9.795 147 HD11 LEU 325 HD11 LEU 325 7.184 3.167 -10.754 148 HD12 LEU 325 HD12 LEU 325 8.156 2.652 -9.375 149 HD13 LEU 325 HD13 LEU 325 8.789 3.852 -10.504 150 HD21 LEU 325 HD21 LEU 325 5.475 3.694 -8.462 151 HD22 LEU 325 HD22 LEU 325 6.268 4.734 -7.278 152 HD23 LEU 325 HD23 LEU 325 6.932 3.139 -7.636 153 H LEU 326 H LEU 326 11.167 4.608 -5.886 154 HA LEU 326 HA LEU 326 13.363 5.447 -5.696 155 HB2 LEU 326 HB2 LEU 326 13.168 4.464 -8.556 156 HB3 LEU 326 HB3 LEU 326 14.691 4.991 -7.841 157 HG LEU 326 HG LEU 326 13.045 3.015 -6.314 158 HD11 LEU 326 HD11 LEU 326 14.729 2.345 -8.747 159 HD12 LEU 326 HD12 LEU 326 12.995 2.078 -8.567 160 HD13 LEU 326 HD13 LEU 326 14.135 1.161 -7.583 161 HD21 LEU 326 HD21 LEU 326 16.025 3.310 -6.823 162 HD22 LEU 326 HD22 LEU 326 15.270 2.236 -5.645 163 HD23 LEU 326 HD23 LEU 326 15.169 3.983 -5.435 164 H GLU 327 H GLU 327 11.215 7.389 -6.462 165 HA GLU 327 HA GLU 327 12.992 9.544 -7.470 166 HB2 GLU 327 HB2 GLU 327 10.891 8.167 -8.968 167 HB3 GLU 327 HB3 GLU 327 10.598 9.904 -8.877 168 HG2 GLU 327 HG2 GLU 327 12.428 10.417 -10.148 169 HG3 GLU 327 HG3 GLU 327 13.395 9.110 -9.466 Start of MODEL 24 1 HA LYS 308 HA LYS 308 -14.122 -5.729 7.982 2 HB2 LYS 308 HB2 LYS 308 -13.167 -6.722 10.099 3 HB3 LYS 308 HB3 LYS 308 -13.953 -7.901 9.052 4 HG2 LYS 308 HG2 LYS 308 -11.759 -8.578 8.150 5 HG3 LYS 308 HG3 LYS 308 -10.963 -7.384 9.176 6 HD2 LYS 308 HD2 LYS 308 -12.498 -8.757 10.998 7 HD3 LYS 308 HD3 LYS 308 -12.045 -10.035 9.870 8 HE2 LYS 308 HE2 LYS 308 -9.965 -10.100 10.763 9 HE3 LYS 308 HE3 LYS 308 -9.735 -8.383 10.379 10 HZ1 LYS 308 HZ1 LYS 308 -10.952 -7.788 12.369 11 HZ2 LYS 308 HZ2 LYS 308 -9.646 -8.794 12.782 12 HZ3 LYS 308 HZ3 LYS 308 -11.224 -9.422 12.737 13 H PHE 309 H PHE 309 -12.644 -4.160 6.558 14 HA PHE 309 HA PHE 309 -11.024 -2.447 6.517 15 HB2 PHE 309 HB2 PHE 309 -11.530 -2.907 9.472 16 HB3 PHE 309 HB3 PHE 309 -10.592 -1.545 8.863 17 HD1 PHE 309 HD1 PHE 309 -11.684 0.059 7.210 18 HD2 PHE 309 HD2 PHE 309 -13.905 -2.876 9.427 19 HE1 PHE 309 HE1 PHE 309 -13.784 1.298 6.749 20 HE2 PHE 309 HE2 PHE 309 -16.003 -1.637 8.966 21 HZ PHE 309 HZ PHE 309 -15.942 0.449 7.626 22 HA PRO 310 HA PRO 310 -7.598 -5.496 7.401 23 HB2 PRO 310 HB2 PRO 310 -6.699 -5.705 4.824 24 HB3 PRO 310 HB3 PRO 310 -7.974 -6.744 5.491 25 HG2 PRO 310 HG2 PRO 310 -8.203 -4.365 3.724 26 HG3 PRO 310 HG3 PRO 310 -9.142 -5.866 3.726 27 HD2 PRO 310 HD2 PRO 310 -10.034 -3.503 4.783 28 HD3 PRO 310 HD3 PRO 310 -10.596 -5.103 5.311 29 H ARG 311 H ARG 311 -5.338 -4.924 7.464 30 HA ARG 311 HA ARG 311 -4.797 -2.039 6.956 31 HB2 ARG 311 HB2 ARG 311 -4.420 -3.268 9.170 32 HB3 ARG 311 HB3 ARG 311 -3.088 -4.103 8.371 33 HG2 ARG 311 HG2 ARG 311 -1.820 -2.345 9.034 34 HG3 ARG 311 HG3 ARG 311 -2.600 -1.465 7.720 35 HD2 ARG 311 HD2 ARG 311 -2.935 -0.093 9.648 36 HD3 ARG 311 HD3 ARG 311 -4.476 -0.948 9.444 37 HE ARG 311 HE ARG 311 -3.687 -2.576 11.168 38 HH11 ARG 311 HH11 ARG 311 -0.807 -2.067 11.257 39 HH12 ARG 311 HH12 ARG 311 -0.622 -1.017 12.622 40 HH21 ARG 311 HH21 ARG 311 -3.988 -0.151 12.737 41 HH22 ARG 311 HH22 ARG 311 -2.432 0.072 13.464 42 H ALA 312 H ALA 312 -3.981 -1.656 4.920 43 HA ALA 312 HA ALA 312 -1.920 -3.558 3.839 44 HB1 ALA 312 HB1 ALA 312 -4.016 -1.826 2.492 45 HB2 ALA 312 HB2 ALA 312 -3.971 -3.588 2.543 46 HB3 ALA 312 HB3 ALA 312 -2.763 -2.701 1.612 47 H MET 313 H MET 313 0.087 -2.658 3.572 48 HA MET 313 HA MET 313 0.327 0.261 3.034 49 HB2 MET 313 HB2 MET 313 2.037 0.393 4.882 50 HB3 MET 313 HB3 MET 313 0.403 0.065 5.455 51 HG2 MET 313 HG2 MET 313 1.905 -2.377 4.819 52 HG3 MET 313 HG3 MET 313 2.650 -1.420 6.097 53 HE1 MET 313 HE1 MET 313 -0.084 -4.528 6.956 54 HE2 MET 313 HE2 MET 313 1.570 -4.316 6.389 55 HE3 MET 313 HE3 MET 313 0.226 -4.088 5.271 56 HA PRO 314 HA PRO 314 3.317 -2.459 0.710 57 HB2 PRO 314 HB2 PRO 314 2.569 -1.673 -1.800 58 HB3 PRO 314 HB3 PRO 314 1.807 -3.024 -0.943 59 HG2 PRO 314 HG2 PRO 314 0.838 -0.248 -1.342 60 HG3 PRO 314 HG3 PRO 314 -0.071 -1.764 -1.288 61 HD2 PRO 314 HD2 PRO 314 0.079 0.035 0.786 62 HD3 PRO 314 HD3 PRO 314 -0.295 -1.693 0.975 63 H ILE 315 H ILE 315 4.665 -1.408 -1.395 64 HA ILE 315 HA ILE 315 5.818 1.080 -0.267 65 HB ILE 315 HB ILE 315 6.735 -0.436 -2.718 66 HG12 ILE 315 HG12 ILE 315 6.416 -2.104 -0.934 67 HG13 ILE 315 HG13 ILE 315 8.134 -1.818 -1.195 68 HG21 ILE 315 HG21 ILE 315 7.916 1.486 -0.741 69 HG22 ILE 315 HG22 ILE 315 8.061 1.461 -2.498 70 HG23 ILE 315 HG23 ILE 315 8.974 0.310 -1.521 71 HD11 ILE 315 HD11 ILE 315 6.431 -1.118 1.143 72 HD12 ILE 315 HD12 ILE 315 7.675 0.049 0.697 73 HD13 ILE 315 HD13 ILE 315 8.122 -1.609 1.093 74 H TRP 316 H TRP 316 3.439 0.338 -2.525 75 HA TRP 316 HA TRP 316 3.968 2.818 -4.110 76 HB2 TRP 316 HB2 TRP 316 2.572 1.740 -5.825 77 HB3 TRP 316 HB3 TRP 316 3.870 0.655 -5.334 78 HD1 TRP 316 HD1 TRP 316 3.232 -1.556 -4.087 79 HE1 TRP 316 HE1 TRP 316 0.985 -2.733 -3.619 80 HE3 TRP 316 HE3 TRP 316 -0.007 2.200 -5.306 81 HZ2 TRP 316 HZ2 TRP 316 -1.816 -2.156 -3.745 82 HZ3 TRP 316 HZ3 TRP 316 -2.453 1.862 -5.123 83 HH2 TRP 316 HH2 TRP 316 -3.362 -0.307 -4.344 84 H ALA 317 H ALA 317 1.965 1.515 -1.663 85 HA ALA 317 HA ALA 317 -0.060 3.681 -2.124 86 HB1 ALA 317 HB1 ALA 317 -1.685 2.100 -2.050 87 HB2 ALA 317 HB2 ALA 317 -0.994 1.366 -0.603 88 HB3 ALA 317 HB3 ALA 317 -0.401 0.901 -2.198 89 H ARG 318 H ARG 318 1.649 4.799 -0.674 90 HA ARG 318 HA ARG 318 1.062 4.211 2.209 91 HB2 ARG 318 HB2 ARG 318 3.620 5.046 0.809 92 HB3 ARG 318 HB3 ARG 318 3.426 5.091 2.561 93 HG2 ARG 318 HG2 ARG 318 2.823 2.576 1.021 94 HG3 ARG 318 HG3 ARG 318 4.478 2.966 1.484 95 HD2 ARG 318 HD2 ARG 318 2.596 3.318 3.706 96 HD3 ARG 318 HD3 ARG 318 2.639 1.652 3.098 97 HE ARG 318 HE ARG 318 5.128 3.155 3.833 98 HH11 ARG 318 HH11 ARG 318 5.518 0.586 2.404 99 HH12 ARG 318 HH12 ARG 318 5.661 -0.556 3.700 100 HH21 ARG 318 HH21 ARG 318 4.282 1.570 6.077 101 HH22 ARG 318 HH22 ARG 318 4.961 0.005 5.785 102 HA PRO 319 HA PRO 319 -0.302 8.444 2.150 103 HB2 PRO 319 HB2 PRO 319 -0.463 8.802 4.862 104 HB3 PRO 319 HB3 PRO 319 -1.677 7.900 3.933 105 HG2 PRO 319 HG2 PRO 319 0.586 6.880 5.580 106 HG3 PRO 319 HG3 PRO 319 -1.066 6.262 5.428 107 HD2 PRO 319 HD2 PRO 319 1.053 5.141 4.161 108 HD3 PRO 319 HD3 PRO 319 -0.600 5.105 3.505 109 H ASP 320 H ASP 320 2.338 7.383 4.256 110 HA ASP 320 HA ASP 320 3.650 10.065 3.975 111 HB2 ASP 320 HB2 ASP 320 3.788 7.862 6.059 112 HB3 ASP 320 HB3 ASP 320 4.887 9.240 6.051 113 H TYR 321 H TYR 321 3.798 8.086 1.877 114 HA TYR 321 HA TYR 321 5.889 6.265 1.823 115 HB2 TYR 321 HB2 TYR 321 4.312 6.733 -0.011 116 HB3 TYR 321 HB3 TYR 321 5.084 8.293 -0.288 117 HD1 TYR 321 HD1 TYR 321 6.397 4.822 0.324 118 HD2 TYR 321 HD2 TYR 321 6.343 8.264 -2.248 119 HE1 TYR 321 HE2 TYR 321 8.061 3.741 -1.158 120 HE2 TYR 321 HE1 TYR 321 8.009 7.179 -3.731 121 HH TYR 321 HH TYR 321 8.592 4.258 -4.011 122 H ASN 322 H ASN 322 8.033 6.412 2.164 123 HA ASN 322 HA ASN 322 9.371 8.953 2.644 124 HB2 ASN 322 HB2 ASN 322 10.464 6.136 2.303 125 HB3 ASN 322 HB3 ASN 322 11.292 7.481 3.083 126 HD21 ASN 322 HD21 ASN 322 9.188 4.833 3.665 127 HD22 ASN 322 HD22 ASN 322 8.701 5.269 5.231 128 HA PRO 323 HA PRO 323 10.897 9.727 -1.414 129 HB2 PRO 323 HB2 PRO 323 13.324 10.874 -0.865 130 HB3 PRO 323 HB3 PRO 323 11.779 11.709 -0.605 131 HG2 PRO 323 HG2 PRO 323 13.540 10.333 1.362 132 HG3 PRO 323 HG3 PRO 323 12.618 11.836 1.529 133 HD2 PRO 323 HD2 PRO 323 11.804 9.455 2.571 134 HD3 PRO 323 HD3 PRO 323 10.681 10.741 2.072 135 HA PRO 324 HA PRO 324 13.355 5.974 -1.860 136 HB2 PRO 324 HB2 PRO 324 12.957 5.705 -4.554 137 HB3 PRO 324 HB3 PRO 324 11.762 5.211 -3.343 138 HG2 PRO 324 HG2 PRO 324 11.850 7.660 -5.026 139 HG3 PRO 324 HG3 PRO 324 10.461 6.682 -4.529 140 HD2 PRO 324 HD2 PRO 324 11.137 9.064 -3.370 141 HD3 PRO 324 HD3 PRO 324 10.240 7.776 -2.537 142 H LEU 325 H LEU 325 15.092 5.392 -3.692 143 HA LEU 325 HA LEU 325 16.571 7.813 -4.613 144 HB2 LEU 325 HB2 LEU 325 17.193 6.108 -2.323 145 HB3 LEU 325 HB3 LEU 325 18.522 6.152 -3.480 146 HG LEU 325 HG LEU 325 17.156 8.703 -2.646 147 HD11 LEU 325 HD11 LEU 325 19.362 7.230 -1.179 148 HD12 LEU 325 HD12 LEU 325 17.779 7.677 -0.541 149 HD13 LEU 325 HD13 LEU 325 18.965 8.928 -0.913 150 HD21 LEU 325 HD21 LEU 325 19.499 9.553 -3.114 151 HD22 LEU 325 HD22 LEU 325 18.669 8.882 -4.518 152 HD23 LEU 325 HD23 LEU 325 19.899 7.933 -3.684 153 H LEU 326 H LEU 326 18.711 6.902 -5.767 154 HA LEU 326 HA LEU 326 18.203 4.306 -7.131 155 HB2 LEU 326 HB2 LEU 326 18.481 5.487 -9.345 156 HB3 LEU 326 HB3 LEU 326 17.013 5.935 -8.482 157 HG LEU 326 HG LEU 326 19.256 7.638 -7.723 158 HD11 LEU 326 HD11 LEU 326 18.428 7.571 -10.641 159 HD12 LEU 326 HD12 LEU 326 20.031 7.198 -10.005 160 HD13 LEU 326 HD13 LEU 326 19.398 8.841 -9.894 161 HD21 LEU 326 HD21 LEU 326 16.818 8.070 -7.343 162 HD22 LEU 326 HD22 LEU 326 16.614 8.251 -9.085 163 HD23 LEU 326 HD23 LEU 326 17.624 9.389 -8.193 164 H GLU 327 H GLU 327 20.128 3.251 -7.521 165 HA GLU 327 HA GLU 327 22.664 4.854 -7.512 166 HB2 GLU 327 HB2 GLU 327 22.032 2.296 -5.995 167 HB3 GLU 327 HB3 GLU 327 23.616 3.071 -6.045 168 HG2 GLU 327 HG2 GLU 327 22.021 5.174 -5.311 169 HG3 GLU 327 HG3 GLU 327 21.196 3.828 -4.526 Start of MODEL 25 1 HA LYS 308 HA LYS 308 8.725 -8.937 10.872 2 HB2 LYS 308 HB2 LYS 308 9.318 -10.625 12.767 3 HB3 LYS 308 HB3 LYS 308 7.574 -10.748 12.999 4 HG2 LYS 308 HG2 LYS 308 7.342 -11.299 10.564 5 HG3 LYS 308 HG3 LYS 308 9.101 -11.317 10.440 6 HD2 LYS 308 HD2 LYS 308 8.049 -12.941 12.661 7 HD3 LYS 308 HD3 LYS 308 7.555 -13.506 11.064 8 HE2 LYS 308 HE2 LYS 308 9.995 -13.368 10.362 9 HE3 LYS 308 HE3 LYS 308 10.388 -13.087 12.070 10 HZ1 LYS 308 HZ1 LYS 308 10.447 -15.452 11.559 11 HZ2 LYS 308 HZ2 LYS 308 8.843 -15.395 11.000 12 HZ3 LYS 308 HZ3 LYS 308 9.185 -15.115 12.640 13 H PHE 309 H PHE 309 7.026 -7.984 9.795 14 HA PHE 309 HA PHE 309 4.296 -8.164 11.036 15 HB2 PHE 309 HB2 PHE 309 5.812 -5.918 9.738 16 HB3 PHE 309 HB3 PHE 309 4.055 -5.949 9.594 17 HD1 PHE 309 HD1 PHE 309 2.615 -5.746 11.571 18 HD2 PHE 309 HD2 PHE 309 6.897 -5.603 11.903 19 HE1 PHE 309 HE1 PHE 309 2.407 -4.851 13.874 20 HE2 PHE 309 HE2 PHE 309 6.688 -4.709 14.206 21 HZ PHE 309 HZ PHE 309 4.444 -4.333 15.191 22 HA PRO 310 HA PRO 310 3.912 -10.287 7.049 23 HB2 PRO 310 HB2 PRO 310 1.634 -11.650 7.711 24 HB3 PRO 310 HB3 PRO 310 3.255 -12.190 8.191 25 HG2 PRO 310 HG2 PRO 310 1.178 -10.787 9.785 26 HG3 PRO 310 HG3 PRO 310 2.327 -12.039 10.278 27 HD2 PRO 310 HD2 PRO 310 2.628 -9.365 10.821 28 HD3 PRO 310 HD3 PRO 310 3.969 -10.527 10.735 29 H ARG 311 H ARG 311 2.530 -9.832 5.274 30 HA ARG 311 HA ARG 311 1.058 -8.492 4.002 31 HB2 ARG 311 HB2 ARG 311 -0.440 -9.437 6.436 32 HB3 ARG 311 HB3 ARG 311 -1.250 -8.386 5.273 33 HG2 ARG 311 HG2 ARG 311 -0.569 -9.988 3.455 34 HG3 ARG 311 HG3 ARG 311 0.031 -11.074 4.709 35 HD2 ARG 311 HD2 ARG 311 -2.264 -11.076 5.737 36 HD3 ARG 311 HD3 ARG 311 -2.835 -10.128 4.349 37 HE ARG 311 HE ARG 311 -2.268 -12.014 2.890 38 HH11 ARG 311 HH11 ARG 311 -0.087 -13.287 4.444 39 HH12 ARG 311 HH12 ARG 311 -0.861 -14.680 5.121 40 HH21 ARG 311 HH21 ARG 311 -4.078 -13.491 4.555 41 HH22 ARG 311 HH22 ARG 311 -3.130 -14.796 5.185 42 H ALA 312 H ALA 312 2.860 -6.815 5.122 43 HA ALA 312 HA ALA 312 1.537 -4.746 6.759 44 HB1 ALA 312 HB1 ALA 312 4.013 -5.650 6.749 45 HB2 ALA 312 HB2 ALA 312 3.720 -3.933 7.022 46 HB3 ALA 312 HB3 ALA 312 4.225 -4.498 5.430 47 H MET 313 H MET 313 2.204 -2.366 5.849 48 HA MET 313 HA MET 313 0.537 -1.860 3.571 49 HB2 MET 313 HB2 MET 313 2.494 -0.361 5.272 50 HB3 MET 313 HB3 MET 313 1.974 0.388 3.764 51 HG2 MET 313 HG2 MET 313 -0.066 -0.773 5.646 52 HG3 MET 313 HG3 MET 313 0.593 0.835 5.941 53 HE1 MET 313 HE1 MET 313 -2.899 -0.157 3.601 54 HE2 MET 313 HE2 MET 313 -2.109 -0.849 5.015 55 HE3 MET 313 HE3 MET 313 -1.633 -1.375 3.403 56 HA PRO 314 HA PRO 314 3.373 -2.745 0.293 57 HB2 PRO 314 HB2 PRO 314 2.177 -1.297 -1.697 58 HB3 PRO 314 HB3 PRO 314 1.541 -2.843 -1.106 59 HG2 PRO 314 HG2 PRO 314 0.665 -0.070 -0.475 60 HG3 PRO 314 HG3 PRO 314 -0.305 -1.530 -0.722 61 HD2 PRO 314 HD2 PRO 314 0.265 -0.503 1.737 62 HD3 PRO 314 HD3 PRO 314 -0.043 -2.227 1.442 63 H ILE 315 H ILE 315 4.519 -1.337 -1.546 64 HA ILE 315 HA ILE 315 5.683 1.046 -0.171 65 HB ILE 315 HB ILE 315 6.754 -0.294 -2.654 66 HG12 ILE 315 HG12 ILE 315 6.283 -2.121 -1.056 67 HG13 ILE 315 HG13 ILE 315 8.016 -1.859 -1.212 68 HG21 ILE 315 HG21 ILE 315 7.870 1.739 -1.940 69 HG22 ILE 315 HG22 ILE 315 8.921 0.369 -1.578 70 HG23 ILE 315 HG23 ILE 315 7.997 1.137 -0.287 71 HD11 ILE 315 HD11 ILE 315 7.307 -0.135 0.844 72 HD12 ILE 315 HD12 ILE 315 8.045 -1.723 1.047 73 HD13 ILE 315 HD13 ILE 315 6.292 -1.547 1.135 74 H TRP 316 H TRP 316 3.406 0.362 -2.546 75 HA TRP 316 HA TRP 316 4.007 2.847 -4.092 76 HB2 TRP 316 HB2 TRP 316 2.613 1.812 -5.826 77 HB3 TRP 316 HB3 TRP 316 3.846 0.668 -5.298 78 HD1 TRP 316 HD1 TRP 316 3.074 -1.481 -4.003 79 HE1 TRP 316 HE1 TRP 316 0.764 -2.546 -3.583 80 HE3 TRP 316 HE3 TRP 316 0.045 2.377 -5.430 81 HZ2 TRP 316 HZ2 TRP 316 -2.003 -1.857 -3.825 82 HZ3 TRP 316 HZ3 TRP 316 -2.420 2.146 -5.327 83 HH2 TRP 316 HH2 TRP 316 -3.446 0.038 -4.526 84 H ALA 317 H ALA 317 1.879 1.572 -1.713 85 HA ALA 317 HA ALA 317 -0.050 3.819 -2.207 86 HB1 ALA 317 HB1 ALA 317 -0.378 0.935 -1.927 87 HB2 ALA 317 HB2 ALA 317 -1.552 2.140 -2.453 88 HB3 ALA 317 HB3 ALA 317 -1.342 1.807 -0.735 89 H ARG 318 H ARG 318 1.662 4.897 -0.734 90 HA ARG 318 HA ARG 318 0.982 4.367 2.141 91 HB2 ARG 318 HB2 ARG 318 3.400 3.946 0.863 92 HB3 ARG 318 HB3 ARG 318 3.611 5.558 1.545 93 HG2 ARG 318 HG2 ARG 318 3.377 4.811 3.740 94 HG3 ARG 318 HG3 ARG 318 2.451 3.386 3.263 95 HD2 ARG 318 HD2 ARG 318 4.364 2.182 2.646 96 HD3 ARG 318 HD3 ARG 318 5.316 3.654 2.365 97 HE ARG 318 HE ARG 318 5.258 4.006 4.863 98 HH11 ARG 318 HH11 ARG 318 7.004 1.661 4.369 99 HH12 ARG 318 HH12 ARG 318 6.341 0.460 5.425 100 HH21 ARG 318 HH21 ARG 318 3.324 2.133 5.860 101 HH22 ARG 318 HH22 ARG 318 4.250 0.728 6.273 102 HA PRO 319 HA PRO 319 -0.223 8.675 1.663 103 HB2 PRO 319 HB2 PRO 319 -1.228 8.967 4.194 104 HB3 PRO 319 HB3 PRO 319 -2.128 8.183 2.881 105 HG2 PRO 319 HG2 PRO 319 -0.595 6.958 5.121 106 HG3 PRO 319 HG3 PRO 319 -2.135 6.460 4.401 107 HD2 PRO 319 HD2 PRO 319 0.235 5.241 3.847 108 HD3 PRO 319 HD3 PRO 319 -1.118 5.312 2.697 109 H ASP 320 H ASP 320 1.474 7.411 4.510 110 HA ASP 320 HA ASP 320 2.909 10.010 4.848 111 HB2 ASP 320 HB2 ASP 320 2.514 7.557 6.598 112 HB3 ASP 320 HB3 ASP 320 3.517 8.931 7.061 113 H TYR 321 H TYR 321 3.622 8.398 2.619 114 HA TYR 321 HA TYR 321 5.550 6.455 2.714 115 HB2 TYR 321 HB2 TYR 321 4.658 7.539 0.692 116 HB3 TYR 321 HB3 TYR 321 5.567 9.002 1.064 117 HD1 TYR 321 HD1 TYR 321 6.220 5.305 0.803 118 HD2 TYR 321 HD2 TYR 321 7.565 9.288 -0.080 119 HE1 TYR 321 HE2 TYR 321 8.202 4.378 -0.363 120 HE2 TYR 321 HE1 TYR 321 9.546 8.361 -1.245 121 HH TYR 321 HH TYR 321 9.877 5.680 -2.457 122 H ASN 322 H ASN 322 7.554 6.228 3.549 123 HA ASN 322 HA ASN 322 8.796 8.256 5.194 124 HB2 ASN 322 HB2 ASN 322 9.855 5.657 4.023 125 HB3 ASN 322 HB3 ASN 322 10.586 6.541 5.362 126 HD21 ASN 322 HD21 ASN 322 8.236 4.152 4.567 127 HD22 ASN 322 HD22 ASN 322 7.502 4.048 6.095 128 HA PRO 323 HA PRO 323 11.234 10.353 2.178 129 HB2 PRO 323 HB2 PRO 323 13.424 11.042 3.671 130 HB3 PRO 323 HB3 PRO 323 11.845 11.833 3.848 131 HG2 PRO 323 HG2 PRO 323 13.098 9.714 5.522 132 HG3 PRO 323 HG3 PRO 323 12.127 11.112 6.010 133 HD2 PRO 323 HD2 PRO 323 11.141 8.578 5.867 134 HD3 PRO 323 HD3 PRO 323 10.145 10.032 5.638 135 HA PRO 324 HA PRO 324 13.823 6.857 0.988 136 HB2 PRO 324 HB2 PRO 324 14.048 7.568 -1.645 137 HB3 PRO 324 HB3 PRO 324 12.623 6.748 -0.982 138 HG2 PRO 324 HG2 PRO 324 13.016 9.615 -1.649 139 HG3 PRO 324 HG3 PRO 324 11.575 8.602 -1.817 140 HD2 PRO 324 HD2 PRO 324 11.961 10.413 0.208 141 HD3 PRO 324 HD3 PRO 324 10.896 8.996 0.321 142 H LEU 325 H LEU 325 15.905 6.972 -0.688 143 HA LEU 325 HA LEU 325 17.480 9.450 -0.314 144 HB2 LEU 325 HB2 LEU 325 17.478 7.594 1.687 145 HB3 LEU 325 HB3 LEU 325 18.810 6.996 0.699 146 HG LEU 325 HG LEU 325 19.116 9.811 0.834 147 HD11 LEU 325 HD11 LEU 325 17.654 9.864 2.778 148 HD12 LEU 325 HD12 LEU 325 19.318 10.098 3.313 149 HD13 LEU 325 HD13 LEU 325 18.537 8.530 3.521 150 HD21 LEU 325 HD21 LEU 325 20.871 8.014 0.681 151 HD22 LEU 325 HD22 LEU 325 20.584 7.654 2.384 152 HD23 LEU 325 HD23 LEU 325 21.217 9.230 1.911 153 H LEU 326 H LEU 326 19.837 8.949 -1.192 154 HA LEU 326 HA LEU 326 21.182 8.319 -3.018 155 HB2 LEU 326 HB2 LEU 326 19.879 6.019 -1.962 156 HB3 LEU 326 HB3 LEU 326 19.851 5.860 -3.717 157 HG LEU 326 HG LEU 326 22.359 6.584 -3.574 158 HD11 LEU 326 HD11 LEU 326 22.402 7.207 -1.228 159 HD12 LEU 326 HD12 LEU 326 23.403 5.771 -1.436 160 HD13 LEU 326 HD13 LEU 326 21.784 5.624 -0.754 161 HD21 LEU 326 HD21 LEU 326 21.663 4.370 -4.313 162 HD22 LEU 326 HD22 LEU 326 21.349 3.876 -2.650 163 HD23 LEU 326 HD23 LEU 326 23.002 4.189 -3.180 164 H GLU 327 H GLU 327 20.072 10.129 -4.183 165 HA GLU 327 HA GLU 327 17.951 9.357 -6.108 166 HB2 GLU 327 HB2 GLU 327 19.353 11.975 -5.466 167 HB3 GLU 327 HB3 GLU 327 17.972 11.814 -6.549 168 HG2 GLU 327 HG2 GLU 327 16.636 12.067 -4.749 169 HG3 GLU 327 HG3 GLU 327 17.196 10.489 -4.197 Start of MODEL 26 1 HA LYS 308 HA LYS 308 5.691 -11.977 -1.312 2 HB2 LYS 308 HB2 LYS 308 4.208 -13.251 -3.573 3 HB3 LYS 308 HB3 LYS 308 3.722 -11.618 -3.119 4 HG2 LYS 308 HG2 LYS 308 5.811 -10.705 -3.639 5 HG3 LYS 308 HG3 LYS 308 6.640 -12.252 -3.473 6 HD2 LYS 308 HD2 LYS 308 6.567 -12.211 -5.761 7 HD3 LYS 308 HD3 LYS 308 4.951 -12.864 -5.497 8 HE2 LYS 308 HE2 LYS 308 4.285 -11.078 -6.774 9 HE3 LYS 308 HE3 LYS 308 4.484 -10.159 -5.270 10 HZ1 LYS 308 HZ1 LYS 308 6.523 -10.582 -7.394 11 HZ2 LYS 308 HZ2 LYS 308 6.869 -9.900 -5.875 12 HZ3 LYS 308 HZ3 LYS 308 5.807 -9.111 -6.942 13 H PHE 309 H PHE 309 4.740 -11.538 0.677 14 HA PHE 309 HA PHE 309 1.772 -11.931 0.881 15 HB2 PHE 309 HB2 PHE 309 3.946 -12.452 2.935 16 HB3 PHE 309 HB3 PHE 309 2.222 -12.490 3.298 17 HD1 PHE 309 HD1 PHE 309 0.742 -14.076 1.877 18 HD2 PHE 309 HD2 PHE 309 5.024 -14.364 2.085 19 HE1 PHE 309 HE2 PHE 309 0.625 -16.416 1.063 20 HE2 PHE 309 HE1 PHE 309 4.906 -16.704 1.271 21 HZ PHE 309 HZ PHE 309 2.706 -17.730 0.760 22 HA PRO 310 HA PRO 310 2.733 -7.534 1.700 23 HB2 PRO 310 HB2 PRO 310 0.378 -6.576 0.689 24 HB3 PRO 310 HB3 PRO 310 1.788 -6.941 -0.326 25 HG2 PRO 310 HG2 PRO 310 -0.687 -8.525 0.117 26 HG3 PRO 310 HG3 PRO 310 0.272 -8.314 -1.355 27 HD2 PRO 310 HD2 PRO 310 0.375 -10.541 0.240 28 HD3 PRO 310 HD3 PRO 310 1.698 -10.011 -0.821 29 H ARG 311 H ARG 311 2.166 -6.492 3.601 30 HA ARG 311 HA ARG 311 -0.290 -7.456 5.037 31 HB2 ARG 311 HB2 ARG 311 2.077 -8.026 5.877 32 HB3 ARG 311 HB3 ARG 311 2.235 -6.310 6.252 33 HG2 ARG 311 HG2 ARG 311 0.505 -6.378 7.860 34 HG3 ARG 311 HG3 ARG 311 -0.126 -7.905 7.243 35 HD2 ARG 311 HD2 ARG 311 1.121 -8.247 9.367 36 HD3 ARG 311 HD3 ARG 311 1.943 -9.057 8.018 37 HE ARG 311 HE ARG 311 2.743 -6.299 8.874 38 HH11 ARG 311 HH11 ARG 311 4.185 -8.307 10.434 39 HH12 ARG 311 HH12 ARG 311 5.562 -8.676 9.451 40 HH21 ARG 311 HH21 ARG 311 4.192 -7.319 6.559 41 HH22 ARG 311 HH22 ARG 311 5.567 -8.113 7.250 42 H ALA 312 H ALA 312 -0.847 -5.459 3.342 43 HA ALA 312 HA ALA 312 -1.798 -3.309 3.237 44 HB1 ALA 312 HB1 ALA 312 -1.231 -3.108 6.198 45 HB2 ALA 312 HB2 ALA 312 -2.504 -4.161 5.580 46 HB3 ALA 312 HB3 ALA 312 -2.580 -2.423 5.292 47 H MET 313 H MET 313 -1.187 -0.969 3.502 48 HA MET 313 HA MET 313 0.411 0.737 3.167 49 HB2 MET 313 HB2 MET 313 1.559 -0.872 5.470 50 HB3 MET 313 HB3 MET 313 2.147 0.723 5.008 51 HG2 MET 313 HG2 MET 313 0.141 1.782 5.622 52 HG3 MET 313 HG3 MET 313 -0.784 0.283 5.547 53 HE1 MET 313 HE1 MET 313 0.149 -1.686 8.630 54 HE2 MET 313 HE2 MET 313 0.474 -1.846 6.906 55 HE3 MET 313 HE3 MET 313 -1.125 -1.344 7.452 56 HA PRO 314 HA PRO 314 3.273 -2.205 0.899 57 HB2 PRO 314 HB2 PRO 314 2.491 -1.556 -1.642 58 HB3 PRO 314 HB3 PRO 314 1.732 -2.849 -0.695 59 HG2 PRO 314 HG2 PRO 314 0.785 -0.084 -1.222 60 HG3 PRO 314 HG3 PRO 314 -0.138 -1.587 -1.093 61 HD2 PRO 314 HD2 PRO 314 0.032 0.291 0.898 62 HD3 PRO 314 HD3 PRO 314 -0.315 -1.430 1.174 63 H ILE 315 H ILE 315 4.612 -1.326 -1.252 64 HA ILE 315 HA ILE 315 5.827 1.215 -0.337 65 HB ILE 315 HB ILE 315 6.654 -0.496 -2.691 66 HG12 ILE 315 HG12 ILE 315 6.349 -2.022 -0.784 67 HG13 ILE 315 HG13 ILE 315 8.065 -1.791 -1.103 68 HG21 ILE 315 HG21 ILE 315 7.860 1.587 -2.477 69 HG22 ILE 315 HG22 ILE 315 8.925 0.296 -1.925 70 HG23 ILE 315 HG23 ILE 315 8.107 1.324 -0.750 71 HD11 ILE 315 HD11 ILE 315 7.652 -1.640 1.303 72 HD12 ILE 315 HD12 ILE 315 6.437 -0.389 1.040 73 HD13 ILE 315 HD13 ILE 315 8.134 -0.059 0.689 74 H TRP 316 H TRP 316 3.456 0.285 -2.582 75 HA TRP 316 HA TRP 316 3.967 2.660 -4.323 76 HB2 TRP 316 HB2 TRP 316 2.565 1.463 -5.946 77 HB3 TRP 316 HB3 TRP 316 3.836 0.392 -5.360 78 HD1 TRP 316 HD1 TRP 316 3.141 -1.703 -3.961 79 HE1 TRP 316 HE1 TRP 316 0.861 -2.771 -3.385 80 HE3 TRP 316 HE3 TRP 316 0.009 2.049 -5.437 81 HZ2 TRP 316 HZ2 TRP 316 -1.923 -2.113 -3.531 82 HZ3 TRP 316 HZ3 TRP 316 -2.445 1.807 -5.207 83 HH2 TRP 316 HH2 TRP 316 -3.412 -0.264 -4.256 84 H ALA 317 H ALA 317 2.029 1.626 -1.733 85 HA ALA 317 HA ALA 317 0.106 3.861 -2.205 86 HB1 ALA 317 HB1 ALA 317 -1.357 1.788 -1.007 87 HB2 ALA 317 HB2 ALA 317 -0.387 0.987 -2.241 88 HB3 ALA 317 HB3 ALA 317 -1.469 2.305 -2.688 89 H ARG 318 H ARG 318 1.738 4.733 -0.528 90 HA ARG 318 HA ARG 318 0.902 3.871 2.215 91 HB2 ARG 318 HB2 ARG 318 3.269 4.261 2.894 92 HB3 ARG 318 HB3 ARG 318 3.124 2.994 1.680 93 HG2 ARG 318 HG2 ARG 318 3.469 5.692 0.548 94 HG3 ARG 318 HG3 ARG 318 4.837 5.141 1.511 95 HD2 ARG 318 HD2 ARG 318 5.504 3.821 -0.200 96 HD3 ARG 318 HD3 ARG 318 3.956 2.958 -0.141 97 HE ARG 318 HE ARG 318 3.328 4.196 -2.043 98 HH11 ARG 318 HH11 ARG 318 6.209 5.074 -2.439 99 HH12 ARG 318 HH12 ARG 318 6.036 6.795 -2.506 100 HH21 ARG 318 HH21 ARG 318 2.825 6.791 -1.175 101 HH22 ARG 318 HH22 ARG 318 4.114 7.773 -1.786 102 HA PRO 319 HA PRO 319 0.048 8.219 2.538 103 HB2 PRO 319 HB2 PRO 319 -0.734 8.200 5.157 104 HB3 PRO 319 HB3 PRO 319 -1.769 7.621 3.838 105 HG2 PRO 319 HG2 PRO 319 -0.173 6.082 5.807 106 HG3 PRO 319 HG3 PRO 319 -1.732 5.696 5.066 107 HD2 PRO 319 HD2 PRO 319 0.687 4.601 4.317 108 HD3 PRO 319 HD3 PRO 319 -0.764 4.660 3.293 109 H ASP 320 H ASP 320 1.986 6.481 4.934 110 HA ASP 320 HA ASP 320 3.431 8.971 5.698 111 HB2 ASP 320 HB2 ASP 320 4.210 7.593 7.569 112 HB3 ASP 320 HB3 ASP 320 2.466 7.409 7.404 113 H TYR 321 H TYR 321 3.917 7.915 3.045 114 HA TYR 321 HA TYR 321 6.049 6.173 2.643 115 HB2 TYR 321 HB2 TYR 321 4.773 7.237 0.859 116 HB3 TYR 321 HB3 TYR 321 5.395 8.821 1.315 117 HD1 TYR 321 HD1 TYR 321 7.094 5.493 0.917 118 HD2 TYR 321 HD2 TYR 321 6.804 9.576 -0.389 119 HE1 TYR 321 HE2 TYR 321 9.056 5.161 -0.562 120 HE2 TYR 321 HE1 TYR 321 8.766 9.242 -1.867 121 HH TYR 321 HH TYR 321 10.922 7.077 -1.595 122 H ASN 322 H ASN 322 8.097 6.144 3.393 123 HA ASN 322 HA ASN 322 9.294 8.198 4.990 124 HB2 ASN 322 HB2 ASN 322 10.500 5.884 3.426 125 HB3 ASN 322 HB3 ASN 322 11.327 6.772 4.706 126 HD21 ASN 322 HD21 ASN 322 9.163 4.151 4.078 127 HD22 ASN 322 HD22 ASN 322 8.729 3.839 5.690 128 HA PRO 323 HA PRO 323 10.836 10.916 1.869 129 HB2 PRO 323 HB2 PRO 323 12.914 12.056 3.239 130 HB3 PRO 323 HB3 PRO 323 11.213 12.450 3.557 131 HG2 PRO 323 HG2 PRO 323 13.047 10.645 5.050 132 HG3 PRO 323 HG3 PRO 323 11.812 11.757 5.661 133 HD2 PRO 323 HD2 PRO 323 11.449 9.062 5.468 134 HD3 PRO 323 HD3 PRO 323 10.122 10.241 5.380 135 HA PRO 324 HA PRO 324 14.067 8.172 0.332 136 HB2 PRO 324 HB2 PRO 324 13.895 8.990 -2.273 137 HB3 PRO 324 HB3 PRO 324 12.763 7.836 -1.545 138 HG2 PRO 324 HG2 PRO 324 12.418 10.732 -2.105 139 HG3 PRO 324 HG3 PRO 324 11.243 9.413 -2.211 140 HD2 PRO 324 HD2 PRO 324 11.370 11.210 -0.138 141 HD3 PRO 324 HD3 PRO 324 10.671 9.581 -0.012 142 H LEU 325 H LEU 325 15.906 8.822 -1.488 143 HA LEU 325 HA LEU 325 17.871 10.069 -1.868 144 HB2 LEU 325 HB2 LEU 325 15.865 11.628 -2.513 145 HB3 LEU 325 HB3 LEU 325 16.285 12.497 -1.036 146 HG LEU 325 HG LEU 325 18.740 12.334 -2.060 147 HD11 LEU 325 HD11 LEU 325 16.895 12.183 -4.463 148 HD12 LEU 325 HD12 LEU 325 18.140 11.017 -4.014 149 HD13 LEU 325 HD13 LEU 325 18.598 12.635 -4.546 150 HD21 LEU 325 HD21 LEU 325 18.303 14.554 -3.158 151 HD22 LEU 325 HD22 LEU 325 17.637 14.435 -1.529 152 HD23 LEU 325 HD23 LEU 325 16.575 14.276 -2.929 153 H LEU 326 H LEU 326 18.753 9.035 0.114 154 HA LEU 326 HA LEU 326 19.988 9.155 2.106 155 HB2 LEU 326 HB2 LEU 326 19.612 12.074 1.415 156 HB3 LEU 326 HB3 LEU 326 20.547 11.563 2.816 157 HG LEU 326 HG LEU 326 21.178 10.196 0.253 158 HD11 LEU 326 HD11 LEU 326 22.217 12.987 0.776 159 HD12 LEU 326 HD12 LEU 326 20.834 12.681 -0.276 160 HD13 LEU 326 HD13 LEU 326 22.415 12.008 -0.677 161 HD21 LEU 326 HD21 LEU 326 23.418 10.273 1.158 162 HD22 LEU 326 HD22 LEU 326 22.332 9.825 2.475 163 HD23 LEU 326 HD23 LEU 326 22.946 11.475 2.359 164 H GLU 327 H GLU 327 17.976 12.018 2.743 165 HA GLU 327 HA GLU 327 16.400 10.461 4.744 166 HB2 GLU 327 HB2 GLU 327 16.937 12.193 6.444 167 HB3 GLU 327 HB3 GLU 327 18.387 11.368 5.875 168 HG2 GLU 327 HG2 GLU 327 19.244 13.266 4.976 169 HG3 GLU 327 HG3 GLU 327 17.698 13.726 4.265 Start of MODEL 27 1 HA LYS 308 HA LYS 308 7.278 -9.744 1.575 2 HB2 LYS 308 HB2 LYS 308 4.522 -9.037 2.600 3 HB3 LYS 308 HB3 LYS 308 5.061 -8.518 1.001 4 HG2 LYS 308 HG2 LYS 308 5.783 -11.206 1.090 5 HG3 LYS 308 HG3 LYS 308 4.217 -11.170 1.901 6 HD2 LYS 308 HD2 LYS 308 4.347 -9.518 -0.537 7 HD3 LYS 308 HD3 LYS 308 4.562 -11.244 -0.825 8 HE2 LYS 308 HE2 LYS 308 2.334 -11.563 -0.576 9 HE3 LYS 308 HE3 LYS 308 2.419 -10.900 1.068 10 HZ1 LYS 308 HZ1 LYS 308 2.220 -9.328 -1.451 11 HZ2 LYS 308 HZ2 LYS 308 2.405 -8.660 0.102 12 HZ3 LYS 308 HZ3 LYS 308 0.994 -9.520 -0.296 13 H PHE 309 H PHE 309 5.738 -7.405 3.845 14 HA PHE 309 HA PHE 309 7.854 -5.427 3.077 15 HB2 PHE 309 HB2 PHE 309 5.429 -5.248 2.061 16 HB3 PHE 309 HB3 PHE 309 5.010 -4.628 3.657 17 HD1 PHE 309 HD1 PHE 309 6.072 -2.559 4.525 18 HD2 PHE 309 HD2 PHE 309 6.809 -3.975 0.539 19 HE1 PHE 309 HE1 PHE 309 7.006 -0.346 3.913 20 HE2 PHE 309 HE2 PHE 309 7.743 -1.762 -0.073 21 HZ PHE 309 HZ PHE 309 7.841 0.054 1.612 22 HA PRO 310 HA PRO 310 8.202 -5.323 7.514 23 HB2 PRO 310 HB2 PRO 310 10.022 -3.283 7.652 24 HB3 PRO 310 HB3 PRO 310 10.459 -4.943 7.197 25 HG2 PRO 310 HG2 PRO 310 10.007 -2.564 5.466 26 HG3 PRO 310 HG3 PRO 310 11.215 -3.850 5.325 27 HD2 PRO 310 HD2 PRO 310 8.955 -3.742 3.811 28 HD3 PRO 310 HD3 PRO 310 9.780 -5.259 4.234 29 H ARG 311 H ARG 311 7.427 -3.965 9.210 30 HA ARG 311 HA ARG 311 6.121 -2.272 10.195 31 HB2 ARG 311 HB2 ARG 311 7.993 -1.088 8.385 32 HB3 ARG 311 HB3 ARG 311 6.484 -0.182 8.268 33 HG2 ARG 311 HG2 ARG 311 7.057 -0.809 11.036 34 HG3 ARG 311 HG3 ARG 311 8.432 0.014 10.302 35 HD2 ARG 311 HD2 ARG 311 6.932 1.714 11.191 36 HD3 ARG 311 HD3 ARG 311 6.794 1.754 9.422 37 HE ARG 311 HE ARG 311 4.658 0.636 9.591 38 HH11 ARG 311 HH11 ARG 311 4.313 2.670 11.777 39 HH12 ARG 311 HH12 ARG 311 3.754 1.695 13.094 40 HH21 ARG 311 HH21 ARG 311 4.760 -1.300 11.643 41 HH22 ARG 311 HH22 ARG 311 4.006 -0.563 13.017 42 H ALA 312 H ALA 312 5.063 -3.983 7.800 43 HA ALA 312 HA ALA 312 3.018 -4.202 6.661 44 HB1 ALA 312 HB1 ALA 312 2.509 -3.272 9.124 45 HB2 ALA 312 HB2 ALA 312 1.226 -3.504 7.937 46 HB3 ALA 312 HB3 ALA 312 1.904 -1.898 8.198 47 H MET 313 H MET 313 1.185 -2.597 5.629 48 HA MET 313 HA MET 313 0.676 -0.981 3.999 49 HB2 MET 313 HB2 MET 313 2.712 0.181 5.742 50 HB3 MET 313 HB3 MET 313 2.805 0.829 4.106 51 HG2 MET 313 HG2 MET 313 1.011 2.118 4.525 52 HG3 MET 313 HG3 MET 313 0.046 0.669 4.808 53 HE1 MET 313 HE1 MET 313 1.664 3.684 5.996 54 HE2 MET 313 HE2 MET 313 1.089 3.849 7.653 55 HE3 MET 313 HE3 MET 313 -0.071 3.740 6.332 56 HA PRO 314 HA PRO 314 3.099 -2.464 0.616 57 HB2 PRO 314 HB2 PRO 314 1.954 -0.995 -1.389 58 HB3 PRO 314 HB3 PRO 314 1.162 -2.391 -0.636 59 HG2 PRO 314 HG2 PRO 314 0.693 0.504 -0.215 60 HG3 PRO 314 HG3 PRO 314 -0.454 -0.841 -0.188 61 HD2 PRO 314 HD2 PRO 314 0.570 0.403 2.049 62 HD3 PRO 314 HD3 PRO 314 -0.117 -1.236 2.025 63 H ILE 315 H ILE 315 4.096 -1.176 -1.520 64 HA ILE 315 HA ILE 315 5.883 0.881 -0.322 65 HB ILE 315 HB ILE 315 6.485 -1.352 -1.599 66 HG12 ILE 315 HG12 ILE 315 8.134 0.276 -0.760 67 HG13 ILE 315 HG13 ILE 315 8.600 -0.345 -2.342 68 HG21 ILE 315 HG21 ILE 315 6.870 -1.017 -3.997 69 HG22 ILE 315 HG22 ILE 315 6.162 0.594 -3.901 70 HG23 ILE 315 HG23 ILE 315 5.159 -0.828 -3.616 71 HD11 ILE 315 HD11 ILE 315 7.307 1.753 -3.248 72 HD12 ILE 315 HD12 ILE 315 8.941 1.949 -2.615 73 HD13 ILE 315 HD13 ILE 315 7.552 2.375 -1.616 74 H TRP 316 H TRP 316 3.644 0.426 -3.020 75 HA TRP 316 HA TRP 316 4.092 3.183 -3.987 76 HB2 TRP 316 HB2 TRP 316 2.617 2.453 -5.833 77 HB3 TRP 316 HB3 TRP 316 3.921 1.301 -5.571 78 HD1 TRP 316 HD1 TRP 316 3.304 -1.061 -4.522 79 HE1 TRP 316 HE1 TRP 316 1.064 -2.326 -4.316 80 HE3 TRP 316 HE3 TRP 316 0.041 2.749 -5.490 81 HZ2 TRP 316 HZ2 TRP 316 -1.738 -1.793 -4.541 82 HZ3 TRP 316 HZ3 TRP 316 -2.403 2.343 -5.491 83 HH2 TRP 316 HH2 TRP 316 -3.296 0.079 -5.018 84 H ALA 317 H ALA 317 1.598 1.310 -2.314 85 HA ALA 317 HA ALA 317 -0.191 3.702 -2.267 86 HB1 ALA 317 HB1 ALA 317 -0.447 0.764 -2.111 87 HB2 ALA 317 HB2 ALA 317 -1.608 1.958 -2.690 88 HB3 ALA 317 HB3 ALA 317 -1.471 1.628 -0.964 89 H ARG 318 H ARG 318 1.711 4.552 -0.799 90 HA ARG 318 HA ARG 318 1.061 3.871 2.045 91 HB2 ARG 318 HB2 ARG 318 3.362 3.227 0.682 92 HB3 ARG 318 HB3 ARG 318 3.800 4.771 1.414 93 HG2 ARG 318 HG2 ARG 318 3.284 3.963 3.619 94 HG3 ARG 318 HG3 ARG 318 2.557 2.493 2.970 95 HD2 ARG 318 HD2 ARG 318 4.575 1.479 3.011 96 HD3 ARG 318 HD3 ARG 318 5.220 2.717 1.917 97 HE ARG 318 HE ARG 318 5.467 4.140 4.065 98 HH11 ARG 318 HH11 ARG 318 7.732 2.275 3.754 99 HH12 ARG 318 HH12 ARG 318 7.745 1.419 5.261 100 HH21 ARG 318 HH21 ARG 318 4.500 2.335 6.108 101 HH22 ARG 318 HH22 ARG 318 5.911 1.460 6.600 102 HA PRO 319 HA PRO 319 0.489 8.266 2.322 103 HB2 PRO 319 HB2 PRO 319 0.635 8.499 5.050 104 HB3 PRO 319 HB3 PRO 319 -0.797 7.876 4.207 105 HG2 PRO 319 HG2 PRO 319 1.386 6.387 5.584 106 HG3 PRO 319 HG3 PRO 319 -0.358 6.077 5.572 107 HD2 PRO 319 HD2 PRO 319 1.391 4.668 4.060 108 HD3 PRO 319 HD3 PRO 319 -0.285 4.978 3.558 109 H ASP 320 H ASP 320 3.102 6.621 4.027 110 HA ASP 320 HA ASP 320 4.787 9.085 3.971 111 HB2 ASP 320 HB2 ASP 320 4.389 6.822 5.730 112 HB3 ASP 320 HB3 ASP 320 6.082 6.902 5.247 113 H TYR 321 H TYR 321 4.248 7.778 1.478 114 HA TYR 321 HA TYR 321 6.051 5.825 0.575 115 HB2 TYR 321 HB2 TYR 321 4.144 6.685 -0.691 116 HB3 TYR 321 HB3 TYR 321 4.891 8.277 -0.792 117 HD1 TYR 321 HD1 TYR 321 6.410 4.878 -1.245 118 HD2 TYR 321 HD2 TYR 321 5.352 8.621 -3.067 119 HE1 TYR 321 HE2 TYR 321 7.587 4.202 -3.319 120 HE2 TYR 321 HE1 TYR 321 6.527 7.943 -5.140 121 HH TYR 321 HH TYR 321 8.732 5.744 -5.366 122 H ASN 322 H ASN 322 8.159 5.871 -0.157 123 HA ASN 322 HA ASN 322 9.922 8.000 0.775 124 HB2 ASN 322 HB2 ASN 322 10.570 5.708 -1.105 125 HB3 ASN 322 HB3 ASN 322 11.657 6.514 0.024 126 HD21 ASN 322 HD21 ASN 322 9.530 3.840 -0.337 127 HD22 ASN 322 HD22 ASN 322 9.463 3.380 1.296 128 HA PRO 323 HA PRO 323 9.975 10.400 -2.931 129 HB2 PRO 323 HB2 PRO 323 12.478 11.497 -2.776 130 HB3 PRO 323 HB3 PRO 323 11.132 12.009 -1.738 131 HG2 PRO 323 HG2 PRO 323 13.421 10.216 -1.122 132 HG3 PRO 323 HG3 PRO 323 12.612 11.409 -0.096 133 HD2 PRO 323 HD2 PRO 323 12.187 8.707 0.065 134 HD3 PRO 323 HD3 PRO 323 11.006 9.934 0.571 135 HA PRO 324 HA PRO 324 12.078 7.335 -5.504 136 HB2 PRO 324 HB2 PRO 324 10.693 7.908 -7.793 137 HB3 PRO 324 HB3 PRO 324 10.047 6.880 -6.501 138 HG2 PRO 324 HG2 PRO 324 9.460 9.722 -7.131 139 HG3 PRO 324 HG3 PRO 324 8.382 8.452 -6.534 140 HD2 PRO 324 HD2 PRO 324 9.457 10.427 -4.961 141 HD3 PRO 324 HD3 PRO 324 8.920 8.844 -4.355 142 H LEU 325 H LEU 325 12.924 7.668 -7.964 143 HA LEU 325 HA LEU 325 14.632 10.102 -7.881 144 HB2 LEU 325 HB2 LEU 325 15.996 8.865 -9.458 145 HB3 LEU 325 HB3 LEU 325 15.506 7.744 -8.190 146 HG LEU 325 HG LEU 325 13.476 7.715 -10.204 147 HD11 LEU 325 HD11 LEU 325 14.639 7.184 -12.200 148 HD12 LEU 325 HD12 LEU 325 16.183 7.033 -11.359 149 HD13 LEU 325 HD13 LEU 325 15.456 8.624 -11.590 150 HD21 LEU 325 HD21 LEU 325 15.617 5.721 -9.396 151 HD22 LEU 325 HD22 LEU 325 14.207 5.332 -10.378 152 HD23 LEU 325 HD23 LEU 325 13.999 5.856 -8.708 153 H LEU 326 H LEU 326 15.147 10.610 -10.509 154 HA LEU 326 HA LEU 326 12.749 11.985 -11.420 155 HB2 LEU 326 HB2 LEU 326 15.580 11.580 -12.374 156 HB3 LEU 326 HB3 LEU 326 14.402 12.357 -13.432 157 HG LEU 326 HG LEU 326 14.739 13.289 -10.587 158 HD11 LEU 326 HD11 LEU 326 16.374 14.949 -11.390 159 HD12 LEU 326 HD12 LEU 326 16.344 14.211 -12.990 160 HD13 LEU 326 HD13 LEU 326 16.985 13.310 -11.617 161 HD21 LEU 326 HD21 LEU 326 13.837 14.578 -13.184 162 HD22 LEU 326 HD22 LEU 326 13.978 15.431 -11.647 163 HD23 LEU 326 HD23 LEU 326 12.808 14.124 -11.824 164 H GLU 327 H GLU 327 11.139 10.514 -12.035 165 HA GLU 327 HA GLU 327 10.006 8.981 -13.420 166 HB2 GLU 327 HB2 GLU 327 11.717 10.548 -14.971 167 HB3 GLU 327 HB3 GLU 327 12.076 8.904 -15.496 168 HG2 GLU 327 HG2 GLU 327 10.049 8.652 -16.489 169 HG3 GLU 327 HG3 GLU 327 9.199 9.443 -15.161 Start of MODEL 28 1 HA LYS 308 HA LYS 308 -2.828 -14.459 8.804 2 HB2 LYS 308 HB2 LYS 308 -1.183 -16.358 7.865 3 HB3 LYS 308 HB3 LYS 308 -0.772 -15.081 6.719 4 HG2 LYS 308 HG2 LYS 308 0.675 -14.407 8.344 5 HG3 LYS 308 HG3 LYS 308 -0.762 -13.687 9.070 6 HD2 LYS 308 HD2 LYS 308 -0.103 -14.942 10.874 7 HD3 LYS 308 HD3 LYS 308 -1.006 -16.199 10.028 8 HE2 LYS 308 HE2 LYS 308 1.198 -16.783 8.839 9 HE3 LYS 308 HE3 LYS 308 1.993 -15.762 10.054 10 HZ1 LYS 308 HZ1 LYS 308 1.879 -18.009 10.877 11 HZ2 LYS 308 HZ2 LYS 308 0.207 -18.083 10.586 12 HZ3 LYS 308 HZ3 LYS 308 0.819 -17.045 11.784 13 H PHE 309 H PHE 309 -3.042 -12.291 8.352 14 HA PHE 309 HA PHE 309 -2.833 -11.375 5.515 15 HB2 PHE 309 HB2 PHE 309 -5.216 -11.913 6.341 16 HB3 PHE 309 HB3 PHE 309 -5.039 -10.515 7.401 17 HD1 PHE 309 HD1 PHE 309 -4.965 -11.599 3.835 18 HD2 PHE 309 HD2 PHE 309 -5.255 -8.298 6.569 19 HE1 PHE 309 HE1 PHE 309 -5.546 -10.092 1.955 20 HE2 PHE 309 HE2 PHE 309 -5.835 -6.791 4.689 21 HZ PHE 309 HZ PHE 309 -5.982 -7.687 2.380 22 HA PRO 310 HA PRO 310 -0.464 -8.296 7.703 23 HB2 PRO 310 HB2 PRO 310 0.177 -6.768 5.525 24 HB3 PRO 310 HB3 PRO 310 0.973 -8.312 5.891 25 HG2 PRO 310 HG2 PRO 310 -1.152 -7.702 3.907 26 HG3 PRO 310 HG3 PRO 310 0.210 -8.828 3.798 27 HD2 PRO 310 HD2 PRO 310 -2.382 -9.572 4.325 28 HD3 PRO 310 HD3 PRO 310 -0.951 -10.519 4.785 29 H ARG 311 H ARG 311 -0.470 -5.720 7.606 30 HA ARG 311 HA ARG 311 -3.330 -4.872 7.670 31 HB2 ARG 311 HB2 ARG 311 -0.733 -3.949 8.897 32 HB3 ARG 311 HB3 ARG 311 -2.137 -2.883 8.880 33 HG2 ARG 311 HG2 ARG 311 -3.454 -4.797 9.922 34 HG3 ARG 311 HG3 ARG 311 -1.909 -5.614 10.162 35 HD2 ARG 311 HD2 ARG 311 -1.127 -3.488 11.368 36 HD3 ARG 311 HD3 ARG 311 -2.832 -2.997 11.376 37 HE ARG 311 HE ARG 311 -1.884 -5.583 12.561 38 HH11 ARG 311 HH11 ARG 311 -2.255 -3.294 14.437 39 HH12 ARG 311 HH12 ARG 311 -3.887 -3.512 14.973 40 HH21 ARG 311 HH21 ARG 311 -4.726 -5.672 12.380 41 HH22 ARG 311 HH22 ARG 311 -5.292 -4.865 13.802 42 H ALA 312 H ALA 312 -2.139 -5.137 5.075 43 HA ALA 312 HA ALA 312 -1.784 -3.947 3.074 44 HB1 ALA 312 HB1 ALA 312 -4.064 -3.261 3.699 45 HB2 ALA 312 HB2 ALA 312 -3.214 -1.920 2.931 46 HB3 ALA 312 HB3 ALA 312 -3.411 -1.950 4.682 47 H MET 313 H MET 313 0.587 -3.783 3.751 48 HA MET 313 HA MET 313 1.327 -0.909 4.198 49 HB2 MET 313 HB2 MET 313 3.297 -1.834 5.449 50 HB3 MET 313 HB3 MET 313 1.752 -2.234 6.196 51 HG2 MET 313 HG2 MET 313 1.890 -4.475 5.601 52 HG3 MET 313 HG3 MET 313 2.916 -4.151 4.204 53 HE1 MET 313 HE1 MET 313 5.019 -5.024 4.123 54 HE2 MET 313 HE2 MET 313 6.332 -4.680 5.245 55 HE3 MET 313 HE3 MET 313 5.503 -3.352 4.438 56 HA PRO 314 HA PRO 314 3.375 -2.730 0.370 57 HB2 PRO 314 HB2 PRO 314 2.069 -1.272 -1.540 58 HB3 PRO 314 HB3 PRO 314 1.500 -2.852 -0.971 59 HG2 PRO 314 HG2 PRO 314 0.522 -0.134 -0.300 60 HG3 PRO 314 HG3 PRO 314 -0.374 -1.652 -0.462 61 HD2 PRO 314 HD2 PRO 314 0.341 -0.490 1.939 62 HD3 PRO 314 HD3 PRO 314 -0.057 -2.207 1.716 63 H ILE 315 H ILE 315 4.297 -1.133 -1.528 64 HA ILE 315 HA ILE 315 5.507 1.180 -0.073 65 HB ILE 315 HB ILE 315 6.361 -0.097 -2.685 66 HG12 ILE 315 HG12 ILE 315 6.288 -1.855 -0.971 67 HG13 ILE 315 HG13 ILE 315 7.962 -1.427 -1.313 68 HG21 ILE 315 HG21 ILE 315 7.296 2.145 -2.071 69 HG22 ILE 315 HG22 ILE 315 8.525 0.883 -2.155 70 HG23 ILE 315 HG23 ILE 315 7.931 1.433 -0.587 71 HD11 ILE 315 HD11 ILE 315 8.098 -0.073 0.684 72 HD12 ILE 315 HD12 ILE 315 7.434 -1.640 1.146 73 HD13 ILE 315 HD13 ILE 315 6.368 -0.247 0.979 74 H TRP 316 H TRP 316 3.939 0.317 -3.130 75 HA TRP 316 HA TRP 316 3.987 2.959 -4.281 76 HB2 TRP 316 HB2 TRP 316 2.455 1.955 -5.914 77 HB3 TRP 316 HB3 TRP 316 3.742 0.817 -5.529 78 HD1 TRP 316 HD1 TRP 316 3.111 -1.335 -4.093 79 HE1 TRP 316 HE1 TRP 316 0.851 -2.471 -3.589 80 HE3 TRP 316 HE3 TRP 316 -0.087 2.393 -5.495 81 HZ2 TRP 316 HZ2 TRP 316 -1.941 -1.879 -3.758 82 HZ3 TRP 316 HZ3 TRP 316 -2.539 2.080 -5.315 83 HH2 TRP 316 HH2 TRP 316 -3.469 -0.049 -4.448 84 H ALA 317 H ALA 317 1.814 1.376 -2.028 85 HA ALA 317 HA ALA 317 -0.067 3.707 -2.194 86 HB1 ALA 317 HB1 ALA 317 -1.531 1.982 -2.391 87 HB2 ALA 317 HB2 ALA 317 -1.240 1.683 -0.678 88 HB3 ALA 317 HB3 ALA 317 -0.318 0.801 -1.896 89 H ARG 318 H ARG 318 1.668 4.843 -0.830 90 HA ARG 318 HA ARG 318 1.310 4.142 2.068 91 HB2 ARG 318 HB2 ARG 318 3.751 5.048 0.516 92 HB3 ARG 318 HB3 ARG 318 3.691 4.995 2.277 93 HG2 ARG 318 HG2 ARG 318 2.796 2.510 1.753 94 HG3 ARG 318 HG3 ARG 318 3.787 2.757 0.317 95 HD2 ARG 318 HD2 ARG 318 5.520 2.084 1.644 96 HD3 ARG 318 HD3 ARG 318 5.424 3.713 2.339 97 HE ARG 318 HE ARG 318 4.664 1.314 3.709 98 HH11 ARG 318 HH11 ARG 318 5.076 4.228 4.738 99 HH12 ARG 318 HH12 ARG 318 3.527 4.517 5.459 100 HH21 ARG 318 HH21 ARG 318 2.008 1.806 3.900 101 HH22 ARG 318 HH22 ARG 318 1.787 3.130 4.993 102 HA PRO 319 HA PRO 319 -0.109 8.436 1.825 103 HB2 PRO 319 HB2 PRO 319 -1.362 8.420 4.260 104 HB3 PRO 319 HB3 PRO 319 -2.113 7.776 2.785 105 HG2 PRO 319 HG2 PRO 319 -0.796 6.332 5.025 106 HG3 PRO 319 HG3 PRO 319 -2.223 5.886 4.077 107 HD2 PRO 319 HD2 PRO 319 0.259 4.806 3.684 108 HD3 PRO 319 HD3 PRO 319 -0.980 4.926 2.416 109 H ASP 320 H ASP 320 1.391 6.812 4.579 110 HA ASP 320 HA ASP 320 2.755 9.349 5.392 111 HB2 ASP 320 HB2 ASP 320 1.983 6.770 6.772 112 HB3 ASP 320 HB3 ASP 320 3.159 7.869 7.491 113 H TYR 321 H TYR 321 3.690 7.917 3.088 114 HA TYR 321 HA TYR 321 5.582 5.940 3.232 115 HB2 TYR 321 HB2 TYR 321 4.936 7.232 1.224 116 HB3 TYR 321 HB3 TYR 321 5.857 8.613 1.821 117 HD1 TYR 321 HD1 TYR 321 6.341 4.931 1.240 118 HD2 TYR 321 HD2 TYR 321 8.027 8.875 1.018 119 HE1 TYR 321 HE2 TYR 321 8.404 3.991 0.242 120 HE2 TYR 321 HE1 TYR 321 10.092 7.934 0.018 121 HH TYR 321 HH TYR 321 10.319 5.085 -1.385 122 H ASN 322 H ASN 322 7.271 5.592 4.559 123 HA ASN 322 HA ASN 322 8.439 7.662 6.233 124 HB2 ASN 322 HB2 ASN 322 9.524 5.835 7.245 125 HB3 ASN 322 HB3 ASN 322 8.075 5.086 6.582 126 HD21 ASN 322 HD21 ASN 322 8.342 3.814 4.530 127 HD22 ASN 322 HD22 ASN 322 9.872 3.221 4.103 128 HA PRO 323 HA PRO 323 11.775 8.937 3.658 129 HB2 PRO 323 HB2 PRO 323 13.794 9.294 5.473 130 HB3 PRO 323 HB3 PRO 323 12.406 10.394 5.340 131 HG2 PRO 323 HG2 PRO 323 12.914 8.215 7.302 132 HG3 PRO 323 HG3 PRO 323 12.179 9.808 7.547 133 HD2 PRO 323 HD2 PRO 323 10.744 7.495 7.349 134 HD3 PRO 323 HD3 PRO 323 10.105 9.092 6.904 135 HA PRO 324 HA PRO 324 13.748 4.924 3.087 136 HB2 PRO 324 HB2 PRO 324 14.521 5.366 0.499 137 HB3 PRO 324 HB3 PRO 324 12.872 4.897 0.951 138 HG2 PRO 324 HG2 PRO 324 13.948 7.563 0.212 139 HG3 PRO 324 HG3 PRO 324 12.366 6.847 -0.127 140 HD2 PRO 324 HD2 PRO 324 12.847 8.710 1.840 141 HD3 PRO 324 HD3 PRO 324 11.481 7.575 1.837 142 H LEU 325 H LEU 325 16.040 4.516 1.739 143 HA LEU 325 HA LEU 325 18.083 5.798 3.347 144 HB2 LEU 325 HB2 LEU 325 17.979 3.895 1.009 145 HB3 LEU 325 HB3 LEU 325 19.528 4.517 1.578 146 HG LEU 325 HG LEU 325 18.237 3.765 3.925 147 HD11 LEU 325 HD11 LEU 325 16.496 2.587 2.686 148 HD12 LEU 325 HD12 LEU 325 17.555 1.404 3.455 149 HD13 LEU 325 HD13 LEU 325 17.710 1.737 1.729 150 HD21 LEU 325 HD21 LEU 325 19.883 1.887 3.889 151 HD22 LEU 325 HD22 LEU 325 20.607 3.425 3.419 152 HD23 LEU 325 HD23 LEU 325 20.199 2.231 2.188 153 H LEU 326 H LEU 326 19.617 7.372 2.698 154 HA LEU 326 HA LEU 326 19.016 8.786 0.114 155 HB2 LEU 326 HB2 LEU 326 19.856 9.774 2.856 156 HB3 LEU 326 HB3 LEU 326 19.846 10.804 1.425 157 HG LEU 326 HG LEU 326 17.345 9.558 1.383 158 HD11 LEU 326 HD11 LEU 326 16.420 9.956 3.616 159 HD12 LEU 326 HD12 LEU 326 17.996 10.497 4.193 160 HD13 LEU 326 HD13 LEU 326 17.760 8.815 3.721 161 HD21 LEU 326 HD21 LEU 326 18.181 12.280 2.436 162 HD22 LEU 326 HD22 LEU 326 16.534 11.842 1.985 163 HD23 LEU 326 HD23 LEU 326 17.802 11.881 0.760 164 H GLU 327 H GLU 327 20.679 8.456 -1.305 165 HA GLU 327 HA GLU 327 23.423 7.921 -0.271 166 HB2 GLU 327 HB2 GLU 327 21.916 7.506 -2.848 167 HB3 GLU 327 HB3 GLU 327 23.677 7.429 -2.833 168 HG2 GLU 327 HG2 GLU 327 23.387 5.796 -0.840 169 HG3 GLU 327 HG3 GLU 327 21.711 5.667 -1.373
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