NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
638611 | 6k4w | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 -11.670 8.518 -26.844 2 H2 ARG 1 HT2 ARG 1 -11.816 10.189 -26.638 3 H3 ARG 1 HT3 ARG 1 -12.601 9.134 -25.578 4 HA ARG 1 HA ARG 1 -9.671 9.361 -25.879 5 HB2 ARG 1 HB2 ARG 1 -11.543 10.415 -23.755 6 HB3 ARG 1 HB1 ARG 1 -9.802 10.311 -23.552 7 HG2 ARG 1 HG2 ARG 1 -9.519 11.835 -25.465 8 HG3 ARG 1 HG1 ARG 1 -11.274 11.977 -25.580 9 HD2 ARG 1 HD2 ARG 1 -10.285 13.855 -24.353 10 HD3 ARG 1 HD1 ARG 1 -11.367 12.904 -23.337 11 HE ARG 1 HE ARG 1 -8.840 11.868 -22.934 12 HH11 ARG 1 HH11 ARG 1 -10.432 14.956 -22.478 13 HH12 ARG 1 HH12 ARG 1 -9.416 15.417 -21.148 14 HH21 ARG 1 HH21 ARG 1 -7.507 12.479 -21.198 15 HH22 ARG 1 HH22 ARG 1 -7.737 14.023 -20.435 16 H VAL 2 HN VAL 2 -8.489 8.057 -24.453 17 HA VAL 2 HA VAL 2 -10.016 5.824 -23.315 18 HB VAL 2 HB VAL 2 -8.343 5.110 -24.924 19 HG11 VAL 2 HG11 VAL 2 -6.334 6.520 -23.175 20 HG12 VAL 2 HG12 VAL 2 -6.802 6.968 -24.815 21 HG13 VAL 2 HG13 VAL 2 -5.940 5.457 -24.527 22 HG21 VAL 2 HG21 VAL 2 -7.537 4.463 -22.092 23 HG22 VAL 2 HG22 VAL 2 -7.057 3.549 -23.522 24 HG23 VAL 2 HG23 VAL 2 -8.756 3.630 -23.056 25 H GLN 3 HN GLN 3 -10.076 5.521 -21.177 26 HA GLN 3 HA GLN 3 -8.791 7.536 -19.512 27 HB2 GLN 3 HB2 GLN 3 -11.194 7.124 -19.228 28 HB3 GLN 3 HB1 GLN 3 -10.870 5.438 -18.857 29 HG2 GLN 3 HG2 GLN 3 -11.348 6.759 -16.858 30 HG3 GLN 3 HG1 GLN 3 -9.729 6.065 -16.825 31 HE21 GLN 3 HE21 GLN 3 -11.595 8.981 -17.098 32 HE22 GLN 3 HE22 GLN 3 -10.282 10.080 -16.849 33 H GLY 4 HN GLY 4 -7.207 7.114 -18.052 34 HA2 GLY 4 HA2 GLY 4 -6.116 4.385 -18.092 35 HA3 GLY 4 HA1 GLY 4 -5.212 5.836 -17.702 36 H ARG 5 HN ARG 5 -8.015 6.271 -16.163 37 HA ARG 5 HA ARG 5 -7.004 6.085 -13.604 38 HB2 ARG 5 HB2 ARG 5 -8.997 7.393 -14.239 39 HB3 ARG 5 HB1 ARG 5 -9.903 5.904 -14.440 40 HG2 ARG 5 HG2 ARG 5 -8.627 6.434 -11.807 41 HG3 ARG 5 HG1 ARG 5 -10.075 7.340 -12.245 42 HD2 ARG 5 HD2 ARG 5 -11.279 5.248 -12.612 43 HD3 ARG 5 HD1 ARG 5 -9.828 4.332 -12.212 44 HE ARG 5 HE ARG 5 -10.184 5.830 -10.009 45 HH11 ARG 5 HH11 ARG 5 -12.391 3.817 -11.836 46 HH12 ARG 5 HH12 ARG 5 -13.347 3.395 -10.454 47 HH21 ARG 5 HH21 ARG 5 -11.448 5.274 -8.187 48 HH22 ARG 5 HH22 ARG 5 -12.810 4.217 -8.384 49 H TRP 6 HN TRP 6 -9.022 3.711 -15.321 50 HA TRP 6 HA TRP 6 -8.500 1.804 -13.152 51 HB2 TRP 6 HB2 TRP 6 -10.869 2.204 -13.982 52 HB3 TRP 6 HB1 TRP 6 -10.385 1.426 -15.485 53 HD1 TRP 6 HD1 TRP 6 -11.094 0.657 -11.810 54 HE1 TRP 6 HE1 TRP 6 -11.381 -1.885 -11.531 55 HE3 TRP 6 HE3 TRP 6 -9.736 -0.836 -16.509 56 HZ2 TRP 6 HZ2 TRP 6 -11.074 -4.213 -13.095 57 HZ3 TRP 6 HZ3 TRP 6 -9.760 -3.239 -17.035 58 HH2 TRP 6 HH2 TRP 6 -10.415 -4.889 -15.360 59 H LYS 7 HN LYS 7 -7.565 2.627 -16.323 60 HA LYS 7 HA LYS 7 -6.933 0.124 -17.408 61 HB2 LYS 7 HB2 LYS 7 -6.960 2.400 -18.576 62 HB3 LYS 7 HB1 LYS 7 -5.342 2.628 -17.927 63 HG2 LYS 7 HG2 LYS 7 -5.189 1.844 -20.188 64 HG3 LYS 7 HG1 LYS 7 -4.616 0.582 -19.096 65 HD2 LYS 7 HD2 LYS 7 -6.790 -0.539 -19.259 66 HD3 LYS 7 HD1 LYS 7 -7.354 0.720 -20.357 67 HE2 LYS 7 HE2 LYS 7 -5.610 0.099 -21.956 68 HE3 LYS 7 HE1 LYS 7 -5.044 -1.155 -20.854 69 HZ1 LYS 7 HZ1 LYS 7 -7.675 -1.032 -22.219 70 HZ2 LYS 7 HZ2 LYS 7 -7.287 -2.160 -21.023 71 HZ3 LYS 7 HZ3 LYS 7 -6.437 -2.157 -22.483 72 H VAL 8 HN VAL 8 -5.291 2.078 -15.043 73 HA VAL 8 HA VAL 8 -2.760 0.854 -15.135 74 HB VAL 8 HB VAL 8 -2.487 1.636 -12.795 75 HG11 VAL 8 HG11 VAL 8 -3.671 3.651 -14.700 76 HG12 VAL 8 HG12 VAL 8 -1.987 3.135 -14.639 77 HG13 VAL 8 HG13 VAL 8 -2.683 4.034 -13.292 78 HG21 VAL 8 HG21 VAL 8 -4.267 2.957 -11.751 79 HG22 VAL 8 HG22 VAL 8 -4.772 1.287 -12.010 80 HG23 VAL 8 HG23 VAL 8 -5.345 2.559 -13.088 81 H ARG 9 HN ARG 9 -5.794 -0.294 -13.984 82 HA ARG 9 HA ARG 9 -4.736 -2.286 -12.204 83 HB2 ARG 9 HB2 ARG 9 -7.449 -2.138 -13.539 84 HB3 ARG 9 HB1 ARG 9 -7.014 -3.195 -12.204 85 HG2 ARG 9 HG2 ARG 9 -7.058 -0.186 -12.110 86 HG3 ARG 9 HG1 ARG 9 -8.297 -1.259 -11.455 87 HD2 ARG 9 HD2 ARG 9 -5.409 -1.199 -10.596 88 HD3 ARG 9 HD1 ARG 9 -6.738 -0.435 -9.731 89 HE ARG 9 HE ARG 9 -7.589 -2.957 -9.855 90 HH11 ARG 9 HH11 ARG 9 -4.444 -1.667 -9.013 91 HH12 ARG 9 HH12 ARG 9 -4.077 -2.946 -7.900 92 HH21 ARG 9 HH21 ARG 9 -7.105 -4.643 -8.385 93 HH22 ARG 9 HH22 ARG 9 -5.589 -4.636 -7.542 94 H ALA 10 HN ALA 10 -5.486 -2.039 -15.586 95 HA ALA 10 HA ALA 10 -5.181 -4.858 -16.104 96 HB1 ALA 10 HB1 ALA 10 -6.669 -3.469 -17.481 97 HB2 ALA 10 HB2 ALA 10 -5.417 -4.250 -18.447 98 HB3 ALA 10 HB3 ALA 10 -5.275 -2.541 -18.035 99 H SER 11 HN SER 11 -3.228 -1.964 -16.216 100 HA SER 11 HA SER 11 -1.012 -3.009 -17.594 101 HB2 SER 11 HB2 SER 11 -1.350 -0.594 -17.178 102 HB3 SER 11 HB1 SER 11 -1.070 -0.858 -15.458 103 HG SER 11 HG SER 11 0.759 -1.140 -17.603 104 H PHE 12 HN PHE 12 -1.741 -2.816 -14.117 105 HA PHE 12 HA PHE 12 0.681 -4.144 -13.376 106 HB2 PHE 12 HB2 PHE 12 -1.740 -3.225 -11.868 107 HB3 PHE 12 HB1 PHE 12 -0.549 -4.268 -11.093 108 HD1 PHE 12 HD1 PHE 12 1.555 -3.427 -10.404 109 HD2 PHE 12 HD2 PHE 12 -1.082 -0.977 -12.669 110 HE1 PHE 12 HE1 PHE 12 2.954 -1.466 -9.907 111 HE2 PHE 12 HE2 PHE 12 0.310 0.988 -12.175 112 HZ PHE 12 HZ PHE 12 2.332 0.745 -10.793 113 H PHE 13 HN PHE 13 -1.872 -5.391 -14.912 114 HA PHE 13 HA PHE 13 -2.313 -7.799 -13.480 115 HB2 PHE 13 HB2 PHE 13 -3.852 -7.047 -15.238 116 HB3 PHE 13 HB1 PHE 13 -2.577 -7.215 -16.437 117 HD1 PHE 13 HD1 PHE 13 -4.739 -9.093 -14.101 118 HD2 PHE 13 HD2 PHE 13 -2.149 -9.282 -17.471 119 HE1 PHE 13 HE1 PHE 13 -5.440 -11.414 -14.509 120 HE2 PHE 13 HE2 PHE 13 -2.847 -11.602 -17.885 121 HZ PHE 13 HZ PHE 13 -4.496 -12.672 -16.402 122 H LYS 14 HN LYS 14 0.135 -6.629 -15.560 123 HA LYS 14 HA LYS 14 1.374 -9.188 -16.040 124 HB2 LYS 14 HB2 LYS 14 2.485 -6.407 -16.464 125 HB3 LYS 14 HB1 LYS 14 3.143 -7.900 -17.117 126 HG2 LYS 14 HG2 LYS 14 1.119 -8.217 -18.446 127 HG3 LYS 14 HG1 LYS 14 0.458 -6.717 -17.792 128 HD2 LYS 14 HD2 LYS 14 2.416 -5.512 -18.743 129 HD3 LYS 14 HD1 LYS 14 2.926 -7.022 -19.499 130 HE2 LYS 14 HE2 LYS 14 0.825 -7.108 -20.746 131 HE3 LYS 14 HE1 LYS 14 0.308 -5.607 -19.979 132 HZ1 LYS 14 HZ1 LYS 14 2.258 -4.523 -20.994 133 HZ2 LYS 14 HZ2 LYS 14 1.172 -5.125 -22.139 134 HZ3 LYS 14 HZ3 LYS 14 2.609 -5.957 -21.819 135 H GLU 15 HN GLU 15 1.783 -6.453 -13.881 136 HA GLU 15 HA GLU 15 4.151 -7.499 -12.627 137 HB2 GLU 15 HB2 GLU 15 2.315 -5.191 -12.020 138 HB3 GLU 15 HB1 GLU 15 3.594 -5.659 -10.911 139 HG2 GLU 15 HG2 GLU 15 4.304 -3.824 -12.306 140 HG3 GLU 15 HG1 GLU 15 5.255 -5.264 -12.655 141 H ALA 16 HN ALA 16 1.040 -8.473 -12.544 142 HA ALA 16 HA ALA 16 0.722 -8.875 -9.717 143 HB1 ALA 16 HB1 ALA 16 -1.220 -8.446 -11.121 144 HB2 ALA 16 HB2 ALA 16 -1.354 -10.013 -10.317 145 HB3 ALA 16 HB3 ALA 16 -0.908 -9.931 -12.022 146 H ALA 17 HN ALA 17 2.748 -10.297 -11.777 147 HA ALA 17 HA ALA 17 2.414 -13.037 -10.924 148 HB1 ALA 17 HB1 ALA 17 3.389 -12.591 -13.105 149 HB2 ALA 17 HB2 ALA 17 4.555 -13.422 -12.077 150 HB3 ALA 17 HB3 ALA 17 4.702 -11.687 -12.355 151 H ALA 18 HN ALA 18 3.701 -10.198 -9.679 152 HA ALA 18 HA ALA 18 5.537 -11.497 -7.834 153 HB1 ALA 18 HB1 ALA 18 6.099 -9.248 -7.100 154 HB2 ALA 18 HB2 ALA 18 4.801 -8.584 -8.095 155 HB3 ALA 18 HB3 ALA 18 6.188 -9.363 -8.857 156 H LYS 19 HN LYS 19 2.551 -11.819 -7.869 157 HA LYS 19 HA LYS 19 1.349 -10.279 -5.839 158 HB2 LYS 19 HB2 LYS 19 -0.574 -11.655 -6.139 159 HB3 LYS 19 HB1 LYS 19 0.162 -11.421 -7.717 160 HG2 LYS 19 HG2 LYS 19 1.210 -13.647 -7.524 161 HG3 LYS 19 HG1 LYS 19 0.373 -13.876 -5.988 162 HD2 LYS 19 HD2 LYS 19 -1.781 -13.455 -7.255 163 HD3 LYS 19 HD1 LYS 19 -0.828 -13.592 -8.733 164 HE2 LYS 19 HE2 LYS 19 -1.221 -15.698 -6.612 165 HE3 LYS 19 HE1 LYS 19 -1.847 -15.718 -8.259 166 HZ1 LYS 19 HZ1 LYS 19 0.996 -15.909 -7.431 167 HZ2 LYS 19 HZ2 LYS 19 0.489 -15.748 -9.034 168 HZ3 LYS 19 HZ3 LYS 19 0.059 -17.121 -8.148 169 H GLU 20 HN GLU 20 3.770 -12.197 -5.130 170 HA GLU 20 HA GLU 20 2.949 -14.134 -3.345 171 HB2 GLU 20 HB2 GLU 20 5.138 -13.807 -2.208 172 HB3 GLU 20 HB1 GLU 20 5.255 -13.975 -3.952 173 HG2 GLU 20 HG2 GLU 20 5.559 -11.596 -4.201 174 HG3 GLU 20 HG1 GLU 20 5.331 -11.360 -2.468 175 H ALA 21 HN ALA 21 3.384 -10.652 -2.684 176 HA ALA 21 HA ALA 21 2.513 -11.002 0.058 177 HB1 ALA 21 HB1 ALA 21 4.175 -9.273 -0.526 178 HB2 ALA 21 HB2 ALA 21 2.753 -8.607 0.274 179 HB3 ALA 21 HB3 ALA 21 2.942 -8.438 -1.470 180 H ALA 22 HN ALA 22 1.148 -10.261 -3.005 181 HA ALA 22 HA ALA 22 -1.325 -9.224 -1.951 182 HB1 ALA 22 HB1 ALA 22 -0.606 -9.963 -4.781 183 HB2 ALA 22 HB2 ALA 22 -0.415 -8.365 -4.062 184 HB3 ALA 22 HB3 ALA 22 -2.026 -9.052 -4.269 185 H ALA 23 HN ALA 23 -0.149 -12.154 -1.779 186 HA ALA 23 HA ALA 23 -2.348 -13.706 -2.748 187 HB1 ALA 23 HB1 ALA 23 -1.295 -15.562 -1.556 188 HB2 ALA 23 HB2 ALA 23 -0.176 -14.437 -0.784 189 HB3 ALA 23 HB3 ALA 23 -0.118 -14.681 -2.530 190 H LYS 24 HN LYS 24 -1.502 -12.057 0.196 191 HA LYS 24 HA LYS 24 -4.207 -12.175 1.103 192 HB2 LYS 24 HB2 LYS 24 -3.186 -14.396 1.846 193 HB3 LYS 24 HB1 LYS 24 -2.177 -13.450 2.931 194 HG2 LYS 24 HG2 LYS 24 -4.258 -12.522 3.944 195 HG3 LYS 24 HG1 LYS 24 -5.178 -13.654 2.951 196 HD2 LYS 24 HD2 LYS 24 -3.844 -15.504 3.987 197 HD3 LYS 24 HD1 LYS 24 -3.158 -14.310 5.088 198 HE2 LYS 24 HE2 LYS 24 -4.958 -15.357 6.233 199 HE3 LYS 24 HE1 LYS 24 -5.506 -13.745 5.778 200 HZ1 LYS 24 HZ1 LYS 24 -7.199 -15.399 5.341 201 HZ2 LYS 24 HZ2 LYS 24 -6.150 -16.266 4.346 202 HZ3 LYS 24 HZ3 LYS 24 -6.671 -14.720 3.882 203 H GLY 25 HN GLY 25 -4.399 -10.072 1.538 204 HA2 GLY 25 HA2 GLY 25 -4.292 -8.286 3.018 205 HA3 GLY 25 HA1 GLY 25 -2.917 -9.044 3.795 206 H PHE 26 HN PHE 26 -3.306 -8.075 0.385 207 HA PHE 26 HA PHE 26 -1.228 -6.043 0.865 208 HB2 PHE 26 HB2 PHE 26 -0.461 -7.902 -0.635 209 HB3 PHE 26 HB1 PHE 26 -1.754 -7.460 -1.746 210 HD1 PHE 26 HD1 PHE 26 1.186 -5.970 -0.015 211 HD2 PHE 26 HD2 PHE 26 -1.327 -5.973 -3.449 212 HE1 PHE 26 HE1 PHE 26 2.664 -4.326 -1.092 213 HE2 PHE 26 HE2 PHE 26 0.147 -4.328 -4.533 214 HZ PHE 26 HZ PHE 26 2.145 -3.502 -3.356 215 H ALA 27 HN ALA 27 -3.500 -6.741 -1.731 216 HA ALA 27 HA ALA 27 -4.634 -4.048 -1.403 217 HB1 ALA 27 HB1 ALA 27 -3.185 -4.119 -3.378 218 HB2 ALA 27 HB2 ALA 27 -4.875 -3.893 -3.825 219 HB3 ALA 27 HB3 ALA 27 -4.119 -5.475 -4.013 220 H TRP 28 HN TRP 28 -5.773 -5.999 -0.044 221 HA TRP 28 HA TRP 28 -8.046 -6.925 -1.658 222 HB2 TRP 28 HB2 TRP 28 -6.795 -8.056 0.837 223 HB3 TRP 28 HB1 TRP 28 -8.336 -8.585 0.199 224 HD1 TRP 28 HD1 TRP 28 -4.592 -8.620 -0.650 225 HE1 TRP 28 HE1 TRP 28 -4.155 -10.518 -2.339 226 HE3 TRP 28 HE3 TRP 28 -9.417 -10.027 -1.549 227 HZ2 TRP 28 HZ2 TRP 28 -5.656 -12.358 -3.841 228 HZ3 TRP 28 HZ3 TRP 28 -9.832 -11.870 -3.130 229 HH2 TRP 28 HH2 TRP 28 -7.983 -13.012 -4.246 230 H ASN 29 HN ASN 29 -7.624 -4.336 -0.310 231 HA ASN 29 HA ASN 29 -9.638 -4.403 1.801 232 HB2 ASN 29 HB2 ASN 29 -7.306 -2.862 1.376 233 HB3 ASN 29 HB1 ASN 29 -8.662 -1.760 1.226 234 HD21 ASN 29 HD21 ASN 29 -6.579 -2.016 3.284 235 HD22 ASN 29 HD22 ASN 29 -7.430 -2.201 4.778 236 H VAL 30 HN VAL 30 -11.678 -3.857 1.408 237 HA VAL 30 HA VAL 30 -12.393 -2.836 -1.217 238 HB VAL 30 HB VAL 30 -14.269 -3.417 1.078 239 HG11 VAL 30 HG11 VAL 30 -15.920 -3.744 -0.713 240 HG12 VAL 30 HG12 VAL 30 -14.696 -3.299 -1.904 241 HG13 VAL 30 HG13 VAL 30 -15.240 -2.116 -0.713 242 HG21 VAL 30 HG21 VAL 30 -12.992 -5.426 0.709 243 HG22 VAL 30 HG22 VAL 30 -13.281 -5.329 -1.030 244 HG23 VAL 30 HG23 VAL 30 -14.623 -5.639 0.072 245 H CYS 31 HN CYS 31 -11.812 -0.740 -1.274 246 HA CYS 31 HA CYS 31 -12.636 1.020 0.895 247 HB2 CYS 31 HB2 CYS 31 -11.298 2.723 -0.462 248 HB3 CYS 31 HB1 CYS 31 -10.408 1.411 0.300 249 HG CYS 31 HG CYS 31 -11.195 1.708 -3.013 250 H VAL 32 HN VAL 32 -14.410 2.093 0.807 251 HA VAL 32 HA VAL 32 -15.457 2.989 -1.783 252 HB VAL 32 HB VAL 32 -17.798 2.506 -0.855 253 HG11 VAL 32 HG11 VAL 32 -16.875 1.354 -2.756 254 HG12 VAL 32 HG12 VAL 32 -17.765 0.217 -1.742 255 HG13 VAL 32 HG13 VAL 32 -16.002 0.242 -1.700 256 HG21 VAL 32 HG21 VAL 32 -17.941 0.563 0.657 257 HG22 VAL 32 HG22 VAL 32 -17.196 1.965 1.426 258 HG23 VAL 32 HG23 VAL 32 -16.191 0.624 0.871 259 H TYR 33 HN TYR 33 -17.109 4.684 -1.514 260 HA TYR 33 HA TYR 33 -16.238 6.425 0.665 261 HB2 TYR 33 HB2 TYR 33 -17.798 7.028 -1.854 262 HB3 TYR 33 HB1 TYR 33 -17.393 8.226 -0.626 263 HD1 TYR 33 HD1 TYR 33 -16.217 6.402 -3.504 264 HD2 TYR 33 HD2 TYR 33 -14.962 8.705 -0.155 265 HE1 TYR 33 HE1 TYR 33 -14.027 6.737 -4.562 266 HE2 TYR 33 HE2 TYR 33 -12.771 9.050 -1.205 267 HH TYR 33 HH TYR 33 -12.148 8.292 -4.474 268 H ARG 34 HN ARG 34 -17.288 5.571 2.355 269 HA ARG 34 HA ARG 34 -20.156 5.159 2.281 270 HB2 ARG 34 HB2 ARG 34 -18.764 3.510 3.410 271 HB3 ARG 34 HB1 ARG 34 -18.094 4.746 4.466 272 HG2 ARG 34 HG2 ARG 34 -20.232 5.054 5.520 273 HG3 ARG 34 HG1 ARG 34 -20.989 3.922 4.397 274 HD2 ARG 34 HD2 ARG 34 -19.517 2.145 5.253 275 HD3 ARG 34 HD1 ARG 34 -18.830 3.289 6.403 276 HE ARG 34 HE ARG 34 -21.564 3.322 6.810 277 HH11 ARG 34 HH11 ARG 34 -18.960 0.995 7.016 278 HH12 ARG 34 HH12 ARG 34 -19.733 0.041 8.240 279 HH21 ARG 34 HH21 ARG 34 -22.579 2.085 8.437 280 HH22 ARG 34 HH22 ARG 34 -21.785 0.674 9.062 281 H ASN 35 HN ASN 35 -21.430 6.817 2.540 282 HA ASN 35 HA ASN 35 -22.149 8.926 2.909 283 HB2 ASN 35 HB2 ASN 35 -22.365 9.567 5.274 284 HB3 ASN 35 HB1 ASN 35 -22.848 7.906 4.981 285 HD21 ASN 35 HD21 ASN 35 -20.470 9.987 6.441 286 HD22 ASN 35 HD22 ASN 35 -19.752 8.779 7.449 287 H GLY 36 HN GLY 36 -19.590 8.932 1.837 288 HA2 GLY 36 HA2 GLY 36 -18.477 10.932 1.184 289 HA3 GLY 36 HA1 GLY 36 -18.772 11.584 2.786 290 H VAL 37 HN VAL 37 -17.816 8.824 3.827 291 HA VAL 37 HA VAL 37 -14.995 9.658 3.876 292 HB VAL 37 HB VAL 37 -16.357 7.716 5.737 293 HG11 VAL 37 HG11 VAL 37 -13.943 7.497 5.656 294 HG12 VAL 37 HG12 VAL 37 -14.449 8.174 7.204 295 HG13 VAL 37 HG13 VAL 37 -13.761 9.223 5.965 296 HG21 VAL 37 HG21 VAL 37 -17.454 9.883 5.919 297 HG22 VAL 37 HG22 VAL 37 -15.890 10.669 6.133 298 HG23 VAL 37 HG23 VAL 37 -16.491 9.551 7.359 299 H ARG 38 HN ARG 38 -13.434 8.416 3.103 300 HA ARG 38 HA ARG 38 -14.144 6.109 1.556 301 HB2 ARG 38 HB2 ARG 38 -12.447 7.663 0.744 302 HB3 ARG 38 HB1 ARG 38 -11.449 7.335 2.153 303 HG2 ARG 38 HG2 ARG 38 -10.984 5.134 1.427 304 HG3 ARG 38 HG1 ARG 38 -12.246 5.197 0.196 305 HD2 ARG 38 HD2 ARG 38 -10.995 6.859 -1.042 306 HD3 ARG 38 HD1 ARG 38 -9.764 6.912 0.217 307 HE ARG 38 HE ARG 38 -9.400 4.474 -0.371 308 HH11 ARG 38 HH11 ARG 38 -10.559 6.809 -2.718 309 HH12 ARG 38 HH12 ARG 38 -9.862 5.979 -4.072 310 HH21 ARG 38 HH21 ARG 38 -8.486 3.387 -2.168 311 HH22 ARG 38 HH22 ARG 38 -8.690 4.040 -3.762 312 H VAL 39 HN VAL 39 -14.646 4.349 2.601 313 HA VAL 39 HA VAL 39 -13.152 3.572 5.006 314 HB VAL 39 HB VAL 39 -15.642 4.009 5.121 315 HG11 VAL 39 HG11 VAL 39 -15.760 1.437 3.590 316 HG12 VAL 39 HG12 VAL 39 -16.283 3.022 3.029 317 HG13 VAL 39 HG13 VAL 39 -17.130 2.235 4.361 318 HG21 VAL 39 HG21 VAL 39 -14.748 1.252 5.929 319 HG22 VAL 39 HG22 VAL 39 -16.112 2.157 6.595 320 HG23 VAL 39 HG23 VAL 39 -14.462 2.735 6.842 321 H CYS 40 HN CYS 40 -12.222 1.514 5.127 322 HA CYS 40 HA CYS 40 -12.535 -0.172 2.744 323 HB2 CYS 40 HB2 CYS 40 -10.099 -0.688 2.844 324 HB3 CYS 40 HB1 CYS 40 -10.447 1.001 2.479 325 HG CYS 40 HG CYS 40 -9.135 2.037 4.423 326 H HIS 41 HN HIS 41 -12.774 -2.281 3.082 327 HA HIS 41 HA HIS 41 -12.098 -3.383 5.714 328 HB2 HIS 41 HB2 HIS 41 -14.151 -4.795 5.622 329 HB3 HIS 41 HB1 HIS 41 -14.460 -3.091 5.870 330 HD1 HIS 41 HD1 HIS 41 -15.391 -5.921 3.801 331 HD2 HIS 41 HD2 HIS 41 -15.445 -1.783 3.412 332 HE1 HIS 41 HE1 HIS 41 -16.980 -5.443 1.919 333 HE2 HIS 41 HE2 HIS 41 -17.190 -2.935 1.890 334 H ARG 42 HN ARG 42 -11.802 -5.681 5.717 335 HA ARG 42 HA ARG 42 -10.169 -6.325 3.424 336 HB2 ARG 42 HB2 ARG 42 -10.621 -7.764 6.037 337 HB3 ARG 42 HB1 ARG 42 -9.514 -8.321 4.790 338 HG2 ARG 42 HG2 ARG 42 -8.265 -6.205 5.001 339 HG3 ARG 42 HG1 ARG 42 -9.341 -5.735 6.319 340 HD2 ARG 42 HD2 ARG 42 -8.629 -7.648 7.622 341 HD3 ARG 42 HD1 ARG 42 -7.623 -8.211 6.288 342 HE ARG 42 HE ARG 42 -6.969 -5.558 7.166 343 HH11 ARG 42 HH11 ARG 42 -6.446 -8.969 7.737 344 HH12 ARG 42 HH12 ARG 42 -4.909 -8.738 8.505 345 HH21 ARG 42 HH21 ARG 42 -4.935 -5.246 8.169 346 HH22 ARG 42 HH22 ARG 42 -4.053 -6.615 8.757 347 H ARG 43 HN ARG 43 -10.600 -7.678 1.832 348 HA ARG 43 HA ARG 43 -13.113 -8.942 1.526 349 HB2 ARG 43 HB2 ARG 43 -10.502 -9.322 0.045 350 HB3 ARG 43 HB1 ARG 43 -12.034 -10.025 -0.452 351 HG2 ARG 43 HG2 ARG 43 -12.975 -7.810 -0.757 352 HG3 ARG 43 HG1 ARG 43 -11.466 -7.079 -0.207 353 HD2 ARG 43 HD2 ARG 43 -11.585 -7.038 -2.629 354 HD3 ARG 43 HD1 ARG 43 -10.293 -8.114 -2.100 355 HE ARG 43 HE ARG 43 -12.710 -9.545 -2.506 356 HH11 ARG 43 HH11 ARG 43 -10.083 -8.034 -4.263 357 HH12 ARG 43 HH12 ARG 43 -10.217 -9.098 -5.627 358 HH21 ARG 43 HH21 ARG 43 -12.893 -10.941 -4.295 359 HH22 ARG 43 HH22 ARG 43 -11.817 -10.750 -5.643 360 H ALA 44 HN ALA 44 -13.587 -11.144 1.511 361 HA ALA 44 HA ALA 44 -12.304 -12.632 3.599 362 HB1 ALA 44 HB1 ALA 44 -14.509 -13.470 1.718 363 HB2 ALA 44 HB2 ALA 44 -14.736 -12.680 3.279 364 HB3 ALA 44 HB3 ALA 44 -14.035 -14.295 3.202 365 H ASN 45 HN ASN 45 -10.190 -12.865 2.705 366 HA ASN 45 HA ASN 45 -9.996 -15.039 0.742 367 HB2 ASN 45 HB2 ASN 45 -9.575 -13.000 -0.492 368 HB3 ASN 45 HB1 ASN 45 -8.428 -12.454 0.724 369 HD21 ASN 45 HD21 ASN 45 -6.360 -13.193 0.673 370 HD22 ASN 45 HD22 ASN 45 -5.732 -14.173 -0.608 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 22.489 9.282 -0.687 2 H2 ARG 1 HT2 ARG 1 22.528 7.637 -1.073 3 H3 ARG 1 HT3 ARG 1 23.780 8.653 -1.579 4 HA ARG 1 HA ARG 1 24.417 9.056 0.701 5 HB2 ARG 1 HB2 ARG 1 22.244 7.044 1.296 6 HB3 ARG 1 HB1 ARG 1 23.432 7.597 2.464 7 HG2 ARG 1 HG2 ARG 1 22.564 9.838 2.359 8 HG3 ARG 1 HG1 ARG 1 21.459 9.386 1.060 9 HD2 ARG 1 HD2 ARG 1 20.295 9.492 3.198 10 HD3 ARG 1 HD1 ARG 1 20.311 7.846 2.571 11 HE ARG 1 HE ARG 1 22.504 8.105 4.259 12 HH11 ARG 1 HH11 ARG 1 19.015 8.215 4.486 13 HH12 ARG 1 HH12 ARG 1 18.973 7.676 6.133 14 HH21 ARG 1 HH21 ARG 1 22.465 7.387 6.421 15 HH22 ARG 1 HH22 ARG 1 20.946 7.204 7.236 16 H VAL 2 HN VAL 2 23.277 5.723 0.241 17 HA VAL 2 HA VAL 2 26.005 4.906 -0.434 18 HB VAL 2 HB VAL 2 25.775 2.912 1.075 19 HG11 VAL 2 HG11 VAL 2 27.192 4.777 1.708 20 HG12 VAL 2 HG12 VAL 2 26.388 4.111 3.129 21 HG13 VAL 2 HG13 VAL 2 25.809 5.614 2.412 22 HG21 VAL 2 HG21 VAL 2 23.497 4.506 2.242 23 HG22 VAL 2 HG22 VAL 2 24.195 3.044 2.939 24 HG23 VAL 2 HG23 VAL 2 23.361 2.970 1.387 25 H GLN 3 HN GLN 3 25.726 2.245 -0.687 26 HA GLN 3 HA GLN 3 24.084 2.053 -3.026 27 HB2 GLN 3 HB2 GLN 3 26.272 0.962 -2.923 28 HB3 GLN 3 HB1 GLN 3 25.726 -0.042 -1.592 29 HG2 GLN 3 HG2 GLN 3 25.743 -1.294 -3.656 30 HG3 GLN 3 HG1 GLN 3 24.098 -1.112 -3.058 31 HE21 GLN 3 HE21 GLN 3 25.142 -1.659 -5.751 32 HE22 GLN 3 HE22 GLN 3 24.464 -0.436 -6.768 33 H GLY 4 HN GLY 4 22.141 1.149 -3.267 34 HA2 GLY 4 HA2 GLY 4 20.781 0.275 -0.811 35 HA3 GLY 4 HA1 GLY 4 19.996 0.917 -2.244 36 H ARG 5 HN ARG 5 22.498 -1.476 -2.476 37 HA ARG 5 HA ARG 5 21.168 -3.172 -4.174 38 HB2 ARG 5 HB2 ARG 5 22.860 -4.871 -3.579 39 HB3 ARG 5 HB1 ARG 5 23.572 -3.288 -3.854 40 HG2 ARG 5 HG2 ARG 5 23.791 -2.925 -1.480 41 HG3 ARG 5 HG1 ARG 5 22.954 -4.439 -1.140 42 HD2 ARG 5 HD2 ARG 5 25.313 -4.771 -0.865 43 HD3 ARG 5 HD1 ARG 5 24.774 -5.650 -2.293 44 HE ARG 5 HE ARG 5 25.768 -3.924 -3.655 45 HH11 ARG 5 HH11 ARG 5 26.647 -3.849 -0.263 46 HH12 ARG 5 HH12 ARG 5 28.124 -2.985 -0.538 47 HH21 ARG 5 HH21 ARG 5 27.702 -2.784 -4.017 48 HH22 ARG 5 HH22 ARG 5 28.725 -2.379 -2.675 49 H TRP 6 HN TRP 6 21.442 -3.491 -0.644 50 HA TRP 6 HA TRP 6 19.584 -5.749 -0.717 51 HB2 TRP 6 HB2 TRP 6 21.746 -5.985 0.504 52 HB3 TRP 6 HB1 TRP 6 21.247 -4.682 1.577 53 HD1 TRP 6 HD1 TRP 6 20.258 -5.497 3.776 54 HE1 TRP 6 HE1 TRP 6 19.047 -7.614 4.598 55 HE3 TRP 6 HE3 TRP 6 20.015 -8.051 -0.644 56 HZ2 TRP 6 HZ2 TRP 6 18.109 -10.047 3.507 57 HZ3 TRP 6 HZ3 TRP 6 18.941 -10.262 -0.671 58 HH2 TRP 6 HH2 TRP 6 18.008 -11.240 1.363 59 H LYS 7 HN LYS 7 19.705 -2.431 -0.097 60 HA LYS 7 HA LYS 7 17.811 -2.185 1.975 61 HB2 LYS 7 HB2 LYS 7 18.586 -0.230 -0.191 62 HB3 LYS 7 HB1 LYS 7 17.579 0.168 1.193 63 HG2 LYS 7 HG2 LYS 7 19.457 -0.487 2.676 64 HG3 LYS 7 HG1 LYS 7 20.454 -0.702 1.239 65 HD2 LYS 7 HD2 LYS 7 20.072 1.655 0.644 66 HD3 LYS 7 HD1 LYS 7 19.120 1.857 2.116 67 HE2 LYS 7 HE2 LYS 7 22.039 1.118 1.957 68 HE3 LYS 7 HE1 LYS 7 21.382 2.678 2.448 69 HZ1 LYS 7 HZ1 LYS 7 22.017 1.314 4.349 70 HZ2 LYS 7 HZ2 LYS 7 20.934 0.110 3.867 71 HZ3 LYS 7 HZ3 LYS 7 20.354 1.622 4.348 72 H VAL 8 HN VAL 8 17.427 -3.124 -1.244 73 HA VAL 8 HA VAL 8 14.933 -2.135 -1.948 74 HB VAL 8 HB VAL 8 16.326 -3.427 -3.492 75 HG11 VAL 8 HG11 VAL 8 16.413 -5.876 -3.368 76 HG12 VAL 8 HG12 VAL 8 15.577 -5.817 -1.816 77 HG13 VAL 8 HG13 VAL 8 17.186 -5.113 -1.978 78 HG21 VAL 8 HG21 VAL 8 13.616 -4.675 -3.056 79 HG22 VAL 8 HG22 VAL 8 14.568 -4.776 -4.537 80 HG23 VAL 8 HG23 VAL 8 13.954 -3.217 -3.987 81 H ARG 9 HN ARG 9 15.796 -4.602 0.357 82 HA ARG 9 HA ARG 9 13.205 -5.745 0.648 83 HB2 ARG 9 HB2 ARG 9 15.592 -5.723 2.497 84 HB3 ARG 9 HB1 ARG 9 14.136 -6.665 2.776 85 HG2 ARG 9 HG2 ARG 9 16.026 -6.955 0.449 86 HG3 ARG 9 HG1 ARG 9 15.881 -8.048 1.827 87 HD2 ARG 9 HD2 ARG 9 13.772 -7.471 -0.247 88 HD3 ARG 9 HD1 ARG 9 14.696 -8.962 -0.076 89 HE ARG 9 HE ARG 9 13.523 -8.792 2.318 90 HH11 ARG 9 HH11 ARG 9 12.206 -8.449 -0.918 91 HH12 ARG 9 HH12 ARG 9 10.623 -8.995 -0.462 92 HH21 ARG 9 HH21 ARG 9 11.441 -9.495 2.909 93 HH22 ARG 9 HH22 ARG 9 10.186 -9.576 1.713 94 H ALA 10 HN ALA 10 14.868 -3.033 2.090 95 HA ALA 10 HA ALA 10 12.759 -2.612 4.050 96 HB1 ALA 10 HB1 ALA 10 14.134 -0.776 4.853 97 HB2 ALA 10 HB2 ALA 10 15.220 -0.962 3.476 98 HB3 ALA 10 HB3 ALA 10 15.103 -2.239 4.687 99 H SER 11 HN SER 11 13.574 -1.658 0.876 100 HA SER 11 HA SER 11 12.457 0.902 0.756 101 HB2 SER 11 HB2 SER 11 12.686 -1.206 -1.399 102 HB3 SER 11 HB1 SER 11 12.284 0.487 -1.688 103 HG SER 11 HG SER 11 14.412 0.529 -1.916 104 H PHE 12 HN PHE 12 10.945 -2.228 0.834 105 HA PHE 12 HA PHE 12 8.469 -1.543 -0.319 106 HB2 PHE 12 HB2 PHE 12 9.150 -3.654 1.728 107 HB3 PHE 12 HB1 PHE 12 7.579 -3.509 0.945 108 HD1 PHE 12 HD1 PHE 12 10.828 -4.912 0.752 109 HD2 PHE 12 HD2 PHE 12 7.551 -3.601 -1.624 110 HE1 PHE 12 HE1 PHE 12 11.648 -6.272 -1.124 111 HE2 PHE 12 HE2 PHE 12 8.367 -4.960 -3.506 112 HZ PHE 12 HZ PHE 12 10.419 -6.296 -3.254 113 H PHE 13 HN PHE 13 9.839 -0.549 2.608 114 HA PHE 13 HA PHE 13 7.315 -0.087 3.939 115 HB2 PHE 13 HB2 PHE 13 10.156 0.663 4.633 116 HB3 PHE 13 HB1 PHE 13 8.771 1.131 5.614 117 HD1 PHE 13 HD1 PHE 13 7.566 -0.499 6.922 118 HD2 PHE 13 HD2 PHE 13 10.882 -1.644 4.516 119 HE1 PHE 13 HE1 PHE 13 7.668 -2.657 8.097 120 HE2 PHE 13 HE2 PHE 13 10.991 -3.804 5.686 121 HZ PHE 13 HZ PHE 13 9.382 -4.312 7.480 122 H LYS 14 HN LYS 14 9.800 1.872 2.308 123 HA LYS 14 HA LYS 14 8.272 4.286 2.641 124 HB2 LYS 14 HB2 LYS 14 9.973 5.346 1.228 125 HB3 LYS 14 HB1 LYS 14 10.704 4.418 2.528 126 HG2 LYS 14 HG2 LYS 14 11.198 2.610 0.970 127 HG3 LYS 14 HG1 LYS 14 10.442 3.524 -0.335 128 HD2 LYS 14 HD2 LYS 14 12.103 5.304 -0.039 129 HD3 LYS 14 HD1 LYS 14 12.864 4.373 1.252 130 HE2 LYS 14 HE2 LYS 14 13.368 2.582 -0.314 131 HE3 LYS 14 HE1 LYS 14 12.559 3.464 -1.606 132 HZ1 LYS 14 HZ1 LYS 14 14.966 3.712 -1.692 133 HZ2 LYS 14 HZ2 LYS 14 14.968 4.399 -0.149 134 HZ3 LYS 14 HZ3 LYS 14 14.208 5.198 -1.428 135 H GLU 15 HN GLU 15 8.692 1.859 0.127 136 HA GLU 15 HA GLU 15 7.209 3.248 -1.867 137 HB2 GLU 15 HB2 GLU 15 7.708 0.286 -1.503 138 HB3 GLU 15 HB1 GLU 15 6.973 1.003 -2.927 139 HG2 GLU 15 HG2 GLU 15 9.753 1.593 -1.938 140 HG3 GLU 15 HG1 GLU 15 9.352 0.460 -3.226 141 H ALA 16 HN ALA 16 6.376 1.543 0.980 142 HA ALA 16 HA ALA 16 3.668 0.963 0.256 143 HB1 ALA 16 HB1 ALA 16 3.371 0.314 2.569 144 HB2 ALA 16 HB2 ALA 16 4.915 1.048 3.000 145 HB3 ALA 16 HB3 ALA 16 4.876 -0.366 1.943 146 H ALA 17 HN ALA 17 5.291 3.788 1.002 147 HA ALA 17 HA ALA 17 3.056 5.141 2.238 148 HB1 ALA 17 HB1 ALA 17 5.338 5.857 2.735 149 HB2 ALA 17 HB2 ALA 17 4.415 7.161 1.990 150 HB3 ALA 17 HB3 ALA 17 5.590 6.256 1.037 151 H ALA 18 HN ALA 18 3.912 4.137 -0.833 152 HA ALA 18 HA ALA 18 2.450 6.226 -2.232 153 HB1 ALA 18 HB1 ALA 18 3.193 5.156 -4.261 154 HB2 ALA 18 HB2 ALA 18 3.792 3.770 -3.351 155 HB3 ALA 18 HB3 ALA 18 4.564 5.345 -3.169 156 H LYS 19 HN LYS 19 1.402 3.954 -0.377 157 HA LYS 19 HA LYS 19 -0.353 2.442 -2.080 158 HB2 LYS 19 HB2 LYS 19 -1.238 1.493 -0.055 159 HB3 LYS 19 HB1 LYS 19 0.511 1.584 0.103 160 HG2 LYS 19 HG2 LYS 19 0.279 3.610 1.458 161 HG3 LYS 19 HG1 LYS 19 -1.476 3.504 1.305 162 HD2 LYS 19 HD2 LYS 19 0.303 1.426 2.580 163 HD3 LYS 19 HD1 LYS 19 -0.671 2.611 3.450 164 HE2 LYS 19 HE2 LYS 19 -2.692 1.649 2.362 165 HE3 LYS 19 HE1 LYS 19 -1.667 0.395 1.667 166 HZ1 LYS 19 HZ1 LYS 19 -2.742 -0.360 3.687 167 HZ2 LYS 19 HZ2 LYS 19 -2.049 0.907 4.564 168 HZ3 LYS 19 HZ3 LYS 19 -1.065 -0.298 3.899 169 H GLU 20 HN GLU 20 -0.352 5.561 -1.485 170 HA GLU 20 HA GLU 20 -2.936 6.181 -0.571 171 HB2 GLU 20 HB2 GLU 20 -2.503 8.403 -1.676 172 HB3 GLU 20 HB1 GLU 20 -1.287 7.888 -0.519 173 HG2 GLU 20 HG2 GLU 20 0.004 8.699 -2.234 174 HG3 GLU 20 HG1 GLU 20 -0.048 6.981 -2.614 175 H ALA 21 HN ALA 21 -1.832 4.908 -3.515 176 HA ALA 21 HA ALA 21 -4.074 5.800 -5.099 177 HB1 ALA 21 HB1 ALA 21 -1.855 5.493 -6.098 178 HB2 ALA 21 HB2 ALA 21 -3.077 4.489 -6.880 179 HB3 ALA 21 HB3 ALA 21 -1.943 3.768 -5.738 180 H ALA 22 HN ALA 22 -3.841 3.625 -2.686 181 HA ALA 22 HA ALA 22 -4.891 1.223 -3.593 182 HB1 ALA 22 HB1 ALA 22 -5.633 0.837 -1.317 183 HB2 ALA 22 HB2 ALA 22 -5.467 2.553 -0.950 184 HB3 ALA 22 HB3 ALA 22 -4.038 1.588 -1.319 185 H ALA 23 HN ALA 23 -6.536 4.225 -2.824 186 HA ALA 23 HA ALA 23 -9.161 3.249 -2.717 187 HB1 ALA 23 HB1 ALA 23 -8.258 6.005 -3.526 188 HB2 ALA 23 HB2 ALA 23 -8.464 5.450 -1.866 189 HB3 ALA 23 HB3 ALA 23 -9.858 5.551 -2.941 190 H LYS 24 HN LYS 24 -7.127 4.124 -5.418 191 HA LYS 24 HA LYS 24 -9.328 4.164 -7.297 192 HB2 LYS 24 HB2 LYS 24 -7.304 5.627 -7.515 193 HB3 LYS 24 HB1 LYS 24 -6.356 4.188 -7.858 194 HG2 LYS 24 HG2 LYS 24 -7.658 3.775 -9.861 195 HG3 LYS 24 HG1 LYS 24 -8.680 5.169 -9.503 196 HD2 LYS 24 HD2 LYS 24 -6.731 6.639 -9.682 197 HD3 LYS 24 HD1 LYS 24 -5.716 5.244 -10.049 198 HE2 LYS 24 HE2 LYS 24 -7.006 4.818 -12.069 199 HE3 LYS 24 HE1 LYS 24 -8.066 6.176 -11.692 200 HZ1 LYS 24 HZ1 LYS 24 -5.156 6.361 -12.249 201 HZ2 LYS 24 HZ2 LYS 24 -6.175 7.662 -11.895 202 HZ3 LYS 24 HZ3 LYS 24 -6.394 6.782 -13.323 203 H GLY 25 HN GLY 25 -7.506 1.802 -5.797 204 HA2 GLY 25 HA2 GLY 25 -8.226 -0.487 -6.177 205 HA3 GLY 25 HA1 GLY 25 -8.244 -0.132 -7.898 206 H PHE 26 HN PHE 26 -5.707 0.740 -5.601 207 HA PHE 26 HA PHE 26 -3.892 -1.033 -7.088 208 HB2 PHE 26 HB2 PHE 26 -3.393 1.538 -5.600 209 HB3 PHE 26 HB1 PHE 26 -2.082 0.440 -6.013 210 HD1 PHE 26 HD1 PHE 26 -1.044 0.598 -8.070 211 HD2 PHE 26 HD2 PHE 26 -4.884 2.348 -7.544 212 HE1 PHE 26 HE1 PHE 26 -0.876 1.623 -10.300 213 HE2 PHE 26 HE2 PHE 26 -4.725 3.375 -9.773 214 HZ PHE 26 HZ PHE 26 -2.720 3.012 -11.155 215 H ALA 27 HN ALA 27 -5.708 -1.601 -4.797 216 HA ALA 27 HA ALA 27 -3.792 -3.112 -3.235 217 HB1 ALA 27 HB1 ALA 27 -4.602 -2.316 -1.085 218 HB2 ALA 27 HB2 ALA 27 -5.694 -1.194 -1.893 219 HB3 ALA 27 HB3 ALA 27 -3.949 -0.975 -2.025 220 H TRP 28 HN TRP 28 -5.020 -4.511 -1.608 221 HA TRP 28 HA TRP 28 -7.232 -5.748 -3.020 222 HB2 TRP 28 HB2 TRP 28 -5.507 -6.551 -0.694 223 HB3 TRP 28 HB1 TRP 28 -6.988 -7.424 -1.064 224 HD1 TRP 28 HD1 TRP 28 -3.654 -6.488 -2.819 225 HE1 TRP 28 HE1 TRP 28 -3.074 -8.389 -4.460 226 HE3 TRP 28 HE3 TRP 28 -7.823 -9.379 -2.211 227 HZ2 TRP 28 HZ2 TRP 28 -4.237 -10.797 -5.365 228 HZ3 TRP 28 HZ3 TRP 28 -8.010 -11.467 -3.497 229 HH2 TRP 28 HH2 TRP 28 -6.253 -12.160 -5.041 230 H ASN 29 HN ASN 29 -6.757 -3.599 -0.414 231 HA ASN 29 HA ASN 29 -8.856 -4.206 1.298 232 HB2 ASN 29 HB2 ASN 29 -7.884 -1.428 0.575 233 HB3 ASN 29 HB1 ASN 29 -8.812 -1.862 2.002 234 HD21 ASN 29 HD21 ASN 29 -6.210 -0.599 1.805 235 HD22 ASN 29 HD22 ASN 29 -5.109 -1.619 2.668 236 H VAL 30 HN VAL 30 -10.997 -3.924 1.247 237 HA VAL 30 HA VAL 30 -12.209 -3.049 -1.242 238 HB VAL 30 HB VAL 30 -13.825 -3.824 1.154 239 HG11 VAL 30 HG11 VAL 30 -15.279 -4.816 -0.554 240 HG12 VAL 30 HG12 VAL 30 -14.130 -4.327 -1.799 241 HG13 VAL 30 HG13 VAL 30 -14.970 -3.104 -0.846 242 HG21 VAL 30 HG21 VAL 30 -13.630 -6.207 0.587 243 HG22 VAL 30 HG22 VAL 30 -12.108 -5.523 1.154 244 HG23 VAL 30 HG23 VAL 30 -12.355 -5.815 -0.569 245 H CYS 31 HN CYS 31 -12.117 -0.858 -1.315 246 HA CYS 31 HA CYS 31 -13.116 0.598 1.033 247 HB2 CYS 31 HB2 CYS 31 -11.658 2.497 0.236 248 HB3 CYS 31 HB1 CYS 31 -10.813 1.093 0.868 249 HG CYS 31 HG CYS 31 -10.486 0.121 -1.903 250 H VAL 32 HN VAL 32 -14.809 1.790 0.806 251 HA VAL 32 HA VAL 32 -15.495 2.874 -1.846 252 HB VAL 32 HB VAL 32 -17.899 2.527 -1.352 253 HG11 VAL 32 HG11 VAL 32 -16.250 0.006 -1.385 254 HG12 VAL 32 HG12 VAL 32 -16.746 0.952 -2.789 255 HG13 VAL 32 HG13 VAL 32 -17.956 0.118 -1.814 256 HG21 VAL 32 HG21 VAL 32 -18.562 0.945 0.403 257 HG22 VAL 32 HG22 VAL 32 -17.797 2.389 1.066 258 HG23 VAL 32 HG23 VAL 32 -16.890 0.880 0.961 259 H TYR 33 HN TYR 33 -17.332 4.616 -1.450 260 HA TYR 33 HA TYR 33 -16.241 6.289 0.693 261 HB2 TYR 33 HB2 TYR 33 -17.733 7.127 -1.801 262 HB3 TYR 33 HB1 TYR 33 -17.013 8.211 -0.610 263 HD1 TYR 33 HD1 TYR 33 -16.493 6.738 -3.716 264 HD2 TYR 33 HD2 TYR 33 -14.429 7.619 -0.102 265 HE1 TYR 33 HE1 TYR 33 -14.353 6.594 -4.909 266 HE2 TYR 33 HE2 TYR 33 -12.279 7.476 -1.285 267 HH TYR 33 HH TYR 33 -12.084 7.329 -4.719 268 H ARG 34 HN ARG 34 -17.395 5.626 2.366 269 HA ARG 34 HA ARG 34 -20.319 5.619 2.263 270 HB2 ARG 34 HB2 ARG 34 -19.106 3.657 3.166 271 HB3 ARG 34 HB1 ARG 34 -18.382 4.680 4.394 272 HG2 ARG 34 HG2 ARG 34 -20.475 5.010 5.460 273 HG3 ARG 34 HG1 ARG 34 -21.341 4.234 4.129 274 HD2 ARG 34 HD2 ARG 34 -20.155 2.137 4.627 275 HD3 ARG 34 HD1 ARG 34 -19.363 2.924 5.987 276 HE ARG 34 HE ARG 34 -22.295 2.719 5.886 277 HH11 ARG 34 HH11 ARG 34 -19.250 2.105 7.494 278 HH12 ARG 34 HH12 ARG 34 -19.986 1.390 8.892 279 HH21 ARG 34 HH21 ARG 34 -23.270 1.785 7.734 280 HH22 ARG 34 HH22 ARG 34 -22.269 1.208 9.031 281 H ASN 35 HN ASN 35 -21.385 7.356 2.946 282 HA ASN 35 HA ASN 35 -21.858 9.414 3.790 283 HB2 ASN 35 HB2 ASN 35 -19.702 9.012 5.869 284 HB3 ASN 35 HB1 ASN 35 -21.128 10.036 5.974 285 HD21 ASN 35 HD21 ASN 35 -19.816 6.918 6.372 286 HD22 ASN 35 HD22 ASN 35 -21.229 6.162 7.044 287 H GLY 36 HN GLY 36 -19.652 8.875 1.873 288 HA2 GLY 36 HA2 GLY 36 -18.311 10.310 0.626 289 HA3 GLY 36 HA1 GLY 36 -18.465 11.517 1.894 290 H VAL 37 HN VAL 37 -17.690 8.857 3.564 291 HA VAL 37 HA VAL 37 -14.835 9.567 3.545 292 HB VAL 37 HB VAL 37 -16.321 7.898 5.573 293 HG11 VAL 37 HG11 VAL 37 -13.918 7.545 5.564 294 HG12 VAL 37 HG12 VAL 37 -14.413 8.405 7.021 295 HG13 VAL 37 HG13 VAL 37 -13.648 9.283 5.698 296 HG21 VAL 37 HG21 VAL 37 -16.373 9.897 6.987 297 HG22 VAL 37 HG22 VAL 37 -17.294 10.130 5.501 298 HG23 VAL 37 HG23 VAL 37 -15.690 10.845 5.667 299 H ARG 38 HN ARG 38 -13.306 8.168 3.000 300 HA ARG 38 HA ARG 38 -14.005 5.827 1.558 301 HB2 ARG 38 HB2 ARG 38 -12.063 7.192 0.973 302 HB3 ARG 38 HB1 ARG 38 -11.315 6.802 2.515 303 HG2 ARG 38 HG2 ARG 38 -11.113 4.489 1.889 304 HG3 ARG 38 HG1 ARG 38 -12.018 4.776 0.402 305 HD2 ARG 38 HD2 ARG 38 -9.686 4.673 -0.130 306 HD3 ARG 38 HD1 ARG 38 -10.233 6.333 -0.322 307 HE ARG 38 HE ARG 38 -9.191 6.792 1.869 308 HH11 ARG 38 HH11 ARG 38 -8.165 3.942 0.106 309 HH12 ARG 38 HH12 ARG 38 -6.580 3.921 0.804 310 HH21 ARG 38 HH21 ARG 38 -7.096 6.767 2.784 311 HH22 ARG 38 HH22 ARG 38 -5.968 5.536 2.315 312 H VAL 39 HN VAL 39 -14.765 4.117 2.545 313 HA VAL 39 HA VAL 39 -13.608 3.297 5.112 314 HB VAL 39 HB VAL 39 -16.047 3.890 5.042 315 HG11 VAL 39 HG11 VAL 39 -16.585 3.013 2.870 316 HG12 VAL 39 HG12 VAL 39 -17.607 2.273 4.102 317 HG13 VAL 39 HG13 VAL 39 -16.247 1.376 3.424 318 HG21 VAL 39 HG21 VAL 39 -15.395 1.060 5.843 319 HG22 VAL 39 HG22 VAL 39 -16.789 1.997 6.391 320 HG23 VAL 39 HG23 VAL 39 -15.156 2.504 6.829 321 H CYS 40 HN CYS 40 -12.626 1.368 5.278 322 HA CYS 40 HA CYS 40 -12.773 -0.410 2.943 323 HB2 CYS 40 HB2 CYS 40 -10.360 -0.959 3.417 324 HB3 CYS 40 HB1 CYS 40 -10.653 0.674 2.832 325 HG CYS 40 HG CYS 40 -9.862 -0.276 6.012 326 H HIS 41 HN HIS 41 -12.936 -2.560 3.321 327 HA HIS 41 HA HIS 41 -12.814 -3.442 6.114 328 HB2 HIS 41 HB2 HIS 41 -14.790 -4.906 5.725 329 HB3 HIS 41 HB1 HIS 41 -15.160 -3.190 5.735 330 HD1 HIS 41 HD1 HIS 41 -15.461 -6.244 3.735 331 HD2 HIS 41 HD2 HIS 41 -15.769 -2.148 3.097 332 HE1 HIS 41 HE1 HIS 41 -16.688 -5.990 1.560 333 HE2 HIS 41 HE2 HIS 41 -17.015 -3.508 1.287 334 H ARG 42 HN ARG 42 -12.839 -5.826 6.310 335 HA ARG 42 HA ARG 42 -10.679 -6.964 4.940 336 HB2 ARG 42 HB2 ARG 42 -11.387 -9.072 6.042 337 HB3 ARG 42 HB1 ARG 42 -11.325 -7.710 7.153 338 HG2 ARG 42 HG2 ARG 42 -13.783 -7.456 6.880 339 HG3 ARG 42 HG1 ARG 42 -13.783 -8.936 5.921 340 HD2 ARG 42 HD2 ARG 42 -12.921 -10.190 7.809 341 HD3 ARG 42 HD1 ARG 42 -12.816 -8.714 8.767 342 HE ARG 42 HE ARG 42 -15.458 -9.199 7.784 343 HH11 ARG 42 HH11 ARG 42 -13.187 -10.055 10.304 344 HH12 ARG 42 HH12 ARG 42 -14.421 -10.477 11.448 345 HH21 ARG 42 HH21 ARG 42 -17.083 -9.742 9.281 346 HH22 ARG 42 HH22 ARG 42 -16.641 -10.305 10.861 347 H ARG 43 HN ARG 43 -10.599 -8.702 3.459 348 HA ARG 43 HA ARG 43 -12.536 -8.451 1.364 349 HB2 ARG 43 HB2 ARG 43 -10.002 -10.019 1.671 350 HB3 ARG 43 HB1 ARG 43 -11.077 -10.284 0.307 351 HG2 ARG 43 HG2 ARG 43 -9.738 -8.748 -0.636 352 HG3 ARG 43 HG1 ARG 43 -10.857 -7.638 0.140 353 HD2 ARG 43 HD2 ARG 43 -8.406 -8.581 1.571 354 HD3 ARG 43 HD1 ARG 43 -8.310 -7.264 0.407 355 HE ARG 43 HE ARG 43 -10.366 -6.639 2.150 356 HH11 ARG 43 HH11 ARG 43 -6.928 -7.222 2.345 357 HH12 ARG 43 HH12 ARG 43 -6.680 -6.105 3.653 358 HH21 ARG 43 HH21 ARG 43 -10.045 -5.164 3.888 359 HH22 ARG 43 HH22 ARG 43 -8.445 -4.949 4.534 360 H ALA 44 HN ALA 44 -13.292 -10.448 0.255 361 HA ALA 44 HA ALA 44 -13.834 -12.739 1.951 362 HB1 ALA 44 HB1 ALA 44 -16.255 -12.619 1.626 363 HB2 ALA 44 HB2 ALA 44 -16.072 -11.072 0.800 364 HB3 ALA 44 HB3 ALA 44 -15.664 -11.212 2.510 365 H ASN 45 HN ASN 45 -12.233 -12.475 -0.288 366 HA ASN 45 HA ASN 45 -13.823 -13.600 -2.482 367 HB2 ASN 45 HB2 ASN 45 -12.026 -12.963 -3.968 368 HB3 ASN 45 HB1 ASN 45 -12.478 -11.571 -2.994 369 HD21 ASN 45 HD21 ASN 45 -10.011 -13.816 -3.796 370 HD22 ASN 45 HD22 ASN 45 -8.750 -13.102 -2.853 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 0.296 15.102 9.643 2 H2 ARG 1 HT2 ARG 1 -0.489 13.876 8.784 3 H3 ARG 1 HT3 ARG 1 0.712 14.801 8.037 4 HA ARG 1 HA ARG 1 1.173 13.048 10.365 5 HB2 ARG 1 HB2 ARG 1 2.292 11.532 8.757 6 HB3 ARG 1 HB1 ARG 1 0.562 11.662 8.492 7 HG2 ARG 1 HG2 ARG 1 1.044 13.296 6.670 8 HG3 ARG 1 HG1 ARG 1 2.759 12.930 6.877 9 HD2 ARG 1 HD2 ARG 1 1.869 11.596 5.073 10 HD3 ARG 1 HD1 ARG 1 2.264 10.551 6.434 11 HE ARG 1 HE ARG 1 -0.498 11.479 6.031 12 HH11 ARG 1 HH11 ARG 1 1.809 8.849 6.313 13 HH12 ARG 1 HH12 ARG 1 0.589 7.615 6.307 14 HH21 ARG 1 HH21 ARG 1 -2.099 9.855 6.054 15 HH22 ARG 1 HH22 ARG 1 -1.633 8.186 6.163 16 H VAL 2 HN VAL 2 3.353 12.831 10.927 17 HA VAL 2 HA VAL 2 4.625 15.382 10.881 18 HB VAL 2 HB VAL 2 5.620 12.809 12.109 19 HG11 VAL 2 HG11 VAL 2 7.360 14.508 11.899 20 HG12 VAL 2 HG12 VAL 2 6.915 14.266 13.587 21 HG13 VAL 2 HG13 VAL 2 6.326 15.681 12.714 22 HG21 VAL 2 HG21 VAL 2 3.942 15.001 13.326 23 HG22 VAL 2 HG22 VAL 2 4.599 13.607 14.182 24 HG23 VAL 2 HG23 VAL 2 3.389 13.375 12.920 25 H GLN 3 HN GLN 3 5.294 12.292 9.321 26 HA GLN 3 HA GLN 3 7.959 13.072 8.555 27 HB2 GLN 3 HB2 GLN 3 7.396 10.716 8.943 28 HB3 GLN 3 HB1 GLN 3 6.242 10.764 7.621 29 HG2 GLN 3 HG2 GLN 3 8.355 9.673 7.017 30 HG3 GLN 3 HG1 GLN 3 8.006 11.086 6.025 31 HE21 GLN 3 HE21 GLN 3 10.036 9.763 8.518 32 HE22 GLN 3 HE22 GLN 3 11.267 10.976 8.433 33 H GLY 4 HN GLY 4 8.213 14.658 7.153 34 HA2 GLY 4 HA2 GLY 4 6.224 15.365 5.224 35 HA3 GLY 4 HA1 GLY 4 7.811 16.097 5.404 36 H ARG 5 HN ARG 5 9.308 13.681 5.103 37 HA ARG 5 HA ARG 5 9.655 13.609 2.344 38 HB2 ARG 5 HB2 ARG 5 11.403 12.959 3.910 39 HB3 ARG 5 HB1 ARG 5 10.455 11.581 4.438 40 HG2 ARG 5 HG2 ARG 5 11.144 11.756 1.558 41 HG3 ARG 5 HG1 ARG 5 12.432 11.359 2.696 42 HD2 ARG 5 HD2 ARG 5 9.808 9.897 2.407 43 HD3 ARG 5 HD1 ARG 5 11.372 9.341 1.812 44 HE ARG 5 HE ARG 5 11.794 9.742 4.467 45 HH11 ARG 5 HH11 ARG 5 9.454 7.892 2.642 46 HH12 ARG 5 HH12 ARG 5 9.278 6.671 3.863 47 HH21 ARG 5 HH21 ARG 5 11.557 8.149 6.085 48 HH22 ARG 5 HH22 ARG 5 10.470 6.820 5.827 49 H TRP 6 HN TRP 6 7.621 11.691 4.444 50 HA TRP 6 HA TRP 6 6.851 9.900 2.296 51 HB2 TRP 6 HB2 TRP 6 7.019 9.395 4.880 52 HB3 TRP 6 HB1 TRP 6 5.385 10.048 4.904 53 HD1 TRP 6 HD1 TRP 6 7.389 7.027 3.794 54 HE1 TRP 6 HE1 TRP 6 5.783 5.159 3.057 55 HE3 TRP 6 HE3 TRP 6 3.006 9.658 3.854 56 HZ2 TRP 6 HZ2 TRP 6 3.021 4.842 2.567 57 HZ3 TRP 6 HZ3 TRP 6 0.926 8.496 3.239 58 HH2 TRP 6 HH2 TRP 6 0.935 6.137 2.608 59 H LYS 7 HN LYS 7 5.681 12.734 3.956 60 HA LYS 7 HA LYS 7 3.025 12.725 3.044 61 HB2 LYS 7 HB2 LYS 7 3.837 14.158 4.879 62 HB3 LYS 7 HB1 LYS 7 4.782 15.088 3.727 63 HG2 LYS 7 HG2 LYS 7 2.738 16.249 4.331 64 HG3 LYS 7 HG1 LYS 7 2.741 15.819 2.622 65 HD2 LYS 7 HD2 LYS 7 1.287 13.927 3.069 66 HD3 LYS 7 HD1 LYS 7 1.341 14.267 4.799 67 HE2 LYS 7 HE2 LYS 7 -0.727 15.097 3.829 68 HE3 LYS 7 HE1 LYS 7 0.270 16.434 4.397 69 HZ1 LYS 7 HZ1 LYS 7 -0.626 16.980 2.268 70 HZ2 LYS 7 HZ2 LYS 7 -0.066 15.539 1.589 71 HZ3 LYS 7 HZ3 LYS 7 1.034 16.723 2.080 72 H VAL 8 HN VAL 8 6.015 13.892 1.583 73 HA VAL 8 HA VAL 8 4.993 15.187 -0.660 74 HB VAL 8 HB VAL 8 7.441 13.408 -0.523 75 HG11 VAL 8 HG11 VAL 8 6.692 15.527 -2.539 76 HG12 VAL 8 HG12 VAL 8 6.762 13.788 -2.829 77 HG13 VAL 8 HG13 VAL 8 8.239 14.680 -2.465 78 HG21 VAL 8 HG21 VAL 8 8.675 15.505 -0.208 79 HG22 VAL 8 HG22 VAL 8 7.533 15.208 1.101 80 HG23 VAL 8 HG23 VAL 8 7.150 16.385 -0.156 81 H ARG 9 HN ARG 9 5.819 11.763 -0.262 82 HA ARG 9 HA ARG 9 4.895 10.862 -2.745 83 HB2 ARG 9 HB2 ARG 9 6.375 9.521 -1.388 84 HB3 ARG 9 HB1 ARG 9 5.201 9.466 -0.081 85 HG2 ARG 9 HG2 ARG 9 3.686 8.208 -1.564 86 HG3 ARG 9 HG1 ARG 9 4.961 8.170 -2.783 87 HD2 ARG 9 HD2 ARG 9 6.424 6.997 -1.209 88 HD3 ARG 9 HD1 ARG 9 5.149 7.034 0.007 89 HE ARG 9 HE ARG 9 4.442 5.767 -2.499 90 HH11 ARG 9 HH11 ARG 9 5.701 5.316 0.740 91 HH12 ARG 9 HH12 ARG 9 5.285 3.633 0.801 92 HH21 ARG 9 HH21 ARG 9 3.907 3.560 -2.437 93 HH22 ARG 9 HH22 ARG 9 4.249 2.635 -0.999 94 H ALA 10 HN ALA 10 3.307 11.309 0.360 95 HA ALA 10 HA ALA 10 0.851 10.060 -0.367 96 HB1 ALA 10 HB1 ALA 10 1.587 10.299 1.963 97 HB2 ALA 10 HB2 ALA 10 -0.017 10.982 1.700 98 HB3 ALA 10 HB3 ALA 10 1.382 12.047 1.838 99 H SER 11 HN SER 11 2.201 13.051 -1.213 100 HA SER 11 HA SER 11 -0.330 14.405 -1.588 101 HB2 SER 11 HB2 SER 11 1.876 15.574 -1.068 102 HB3 SER 11 HB1 SER 11 2.355 15.214 -2.726 103 HG SER 11 HG SER 11 1.384 17.041 -3.125 104 H PHE 12 HN PHE 12 1.451 12.068 -3.159 105 HA PHE 12 HA PHE 12 0.164 12.606 -5.749 106 HB2 PHE 12 HB2 PHE 12 2.555 10.861 -5.116 107 HB3 PHE 12 HB1 PHE 12 1.845 11.068 -6.714 108 HD1 PHE 12 HD1 PHE 12 4.242 12.271 -4.399 109 HD2 PHE 12 HD2 PHE 12 1.767 13.457 -7.650 110 HE1 PHE 12 HE1 PHE 12 5.684 14.226 -4.778 111 HE2 PHE 12 HE2 PHE 12 3.205 15.416 -8.034 112 HZ PHE 12 HZ PHE 12 5.165 15.799 -6.594 113 H PHE 13 HN PHE 13 -0.896 11.346 -3.239 114 HA PHE 13 HA PHE 13 -1.017 8.591 -3.316 115 HB2 PHE 13 HB2 PHE 13 -2.985 8.752 -1.913 116 HB3 PHE 13 HB1 PHE 13 -1.825 9.986 -1.438 117 HD1 PHE 13 HD1 PHE 13 -5.146 9.323 -2.696 118 HD2 PHE 13 HD2 PHE 13 -2.239 12.363 -2.056 119 HE1 PHE 13 HE1 PHE 13 -6.889 11.040 -2.944 120 HE2 PHE 13 HE2 PHE 13 -3.977 14.083 -2.299 121 HZ PHE 13 HZ PHE 13 -6.307 13.423 -2.744 122 H LYS 14 HN LYS 14 -2.880 10.894 -5.191 123 HA LYS 14 HA LYS 14 -4.814 8.966 -6.077 124 HB2 LYS 14 HB2 LYS 14 -5.114 11.512 -5.912 125 HB3 LYS 14 HB1 LYS 14 -4.208 11.597 -7.417 126 HG2 LYS 14 HG2 LYS 14 -6.521 11.677 -7.957 127 HG3 LYS 14 HG1 LYS 14 -5.917 10.092 -8.440 128 HD2 LYS 14 HD2 LYS 14 -6.812 9.125 -6.375 129 HD3 LYS 14 HD1 LYS 14 -7.423 10.709 -5.899 130 HE2 LYS 14 HE2 LYS 14 -9.221 9.413 -6.842 131 HE3 LYS 14 HE1 LYS 14 -8.823 10.737 -7.934 132 HZ1 LYS 14 HZ1 LYS 14 -7.567 9.195 -9.300 133 HZ2 LYS 14 HZ2 LYS 14 -9.159 8.659 -9.122 134 HZ3 LYS 14 HZ3 LYS 14 -7.918 7.925 -8.239 135 H GLU 15 HN GLU 15 -1.840 10.339 -7.301 136 HA GLU 15 HA GLU 15 -1.897 9.098 -9.860 137 HB2 GLU 15 HB2 GLU 15 0.395 10.146 -8.186 138 HB3 GLU 15 HB1 GLU 15 0.552 9.614 -9.854 139 HG2 GLU 15 HG2 GLU 15 -1.358 11.783 -9.073 140 HG3 GLU 15 HG1 GLU 15 0.341 12.113 -9.402 141 H ALA 16 HN ALA 16 -0.280 8.361 -6.807 142 HA ALA 16 HA ALA 16 1.019 6.023 -7.644 143 HB1 ALA 16 HB1 ALA 16 1.408 5.597 -5.293 144 HB2 ALA 16 HB2 ALA 16 0.161 6.762 -4.851 145 HB3 ALA 16 HB3 ALA 16 1.640 7.310 -5.640 146 H ALA 17 HN ALA 17 -2.217 6.587 -6.444 147 HA ALA 17 HA ALA 17 -2.898 4.009 -5.637 148 HB1 ALA 17 HB1 ALA 17 -5.210 4.679 -5.907 149 HB2 ALA 17 HB2 ALA 17 -4.718 6.051 -6.900 150 HB3 ALA 17 HB3 ALA 17 -4.271 5.992 -5.196 151 H ALA 18 HN ALA 18 -3.018 5.462 -8.860 152 HA ALA 18 HA ALA 18 -4.185 3.035 -9.956 153 HB1 ALA 18 HB1 ALA 18 -3.480 5.630 -11.317 154 HB2 ALA 18 HB2 ALA 18 -5.070 5.181 -10.698 155 HB3 ALA 18 HB3 ALA 18 -4.363 4.287 -12.042 156 H LYS 19 HN LYS 19 -1.103 4.535 -9.653 157 HA LYS 19 HA LYS 19 0.018 2.981 -11.867 158 HB2 LYS 19 HB2 LYS 19 1.201 5.162 -10.147 159 HB3 LYS 19 HB1 LYS 19 2.076 4.323 -11.419 160 HG2 LYS 19 HG2 LYS 19 0.517 5.165 -13.076 161 HG3 LYS 19 HG1 LYS 19 -0.422 5.958 -11.810 162 HD2 LYS 19 HD2 LYS 19 0.894 7.671 -12.699 163 HD3 LYS 19 HD1 LYS 19 1.750 7.191 -11.236 164 HE2 LYS 19 HE2 LYS 19 2.422 6.220 -14.011 165 HE3 LYS 19 HE1 LYS 19 3.221 7.564 -13.209 166 HZ1 LYS 19 HZ1 LYS 19 3.783 5.915 -11.399 167 HZ2 LYS 19 HZ2 LYS 19 4.587 5.710 -12.872 168 HZ3 LYS 19 HZ3 LYS 19 3.294 4.699 -12.473 169 H GLU 20 HN GLU 20 1.067 3.765 -8.566 170 HA GLU 20 HA GLU 20 2.852 1.519 -8.510 171 HB2 GLU 20 HB2 GLU 20 3.517 3.585 -7.475 172 HB3 GLU 20 HB1 GLU 20 2.080 3.601 -6.469 173 HG2 GLU 20 HG2 GLU 20 2.871 1.693 -5.232 174 HG3 GLU 20 HG1 GLU 20 4.276 1.556 -6.292 175 H ALA 21 HN ALA 21 -0.032 2.476 -6.685 176 HA ALA 21 HA ALA 21 -0.083 0.202 -5.022 177 HB1 ALA 21 HB1 ALA 21 -1.183 2.363 -4.524 178 HB2 ALA 21 HB2 ALA 21 -2.245 0.973 -4.320 179 HB3 ALA 21 HB3 ALA 21 -2.393 1.990 -5.751 180 H ALA 22 HN ALA 22 -2.149 1.023 -7.818 181 HA ALA 22 HA ALA 22 -3.653 -1.315 -7.839 182 HB1 ALA 22 HB1 ALA 22 -2.906 0.379 -10.214 183 HB2 ALA 22 HB2 ALA 22 -4.235 0.702 -9.100 184 HB3 ALA 22 HB3 ALA 22 -4.265 -0.742 -10.113 185 H ALA 23 HN ALA 23 -0.391 -0.870 -8.786 186 HA ALA 23 HA ALA 23 -0.321 -3.037 -10.662 187 HB1 ALA 23 HB1 ALA 23 2.071 -2.611 -10.767 188 HB2 ALA 23 HB2 ALA 23 1.942 -1.506 -9.399 189 HB3 ALA 23 HB3 ALA 23 1.152 -1.116 -10.926 190 H LYS 24 HN LYS 24 0.902 -2.552 -7.324 191 HA LYS 24 HA LYS 24 1.064 -5.450 -7.055 192 HB2 LYS 24 HB2 LYS 24 3.460 -5.206 -6.193 193 HB3 LYS 24 HB1 LYS 24 3.203 -5.132 -7.930 194 HG2 LYS 24 HG2 LYS 24 4.754 -3.440 -7.430 195 HG3 LYS 24 HG1 LYS 24 3.220 -2.616 -7.700 196 HD2 LYS 24 HD2 LYS 24 2.876 -2.503 -5.264 197 HD3 LYS 24 HD1 LYS 24 4.441 -3.281 -5.022 198 HE2 LYS 24 HE2 LYS 24 3.971 -0.628 -6.379 199 HE3 LYS 24 HE1 LYS 24 4.592 -0.855 -4.746 200 HZ1 LYS 24 HZ1 LYS 24 6.476 -2.086 -5.755 201 HZ2 LYS 24 HZ2 LYS 24 6.415 -0.456 -6.192 202 HZ3 LYS 24 HZ3 LYS 24 5.909 -1.640 -7.284 203 H GLY 25 HN GLY 25 -0.142 -2.864 -5.679 204 HA2 GLY 25 HA2 GLY 25 -0.241 -4.009 -3.085 205 HA3 GLY 25 HA1 GLY 25 0.912 -2.683 -3.100 206 H PHE 26 HN PHE 26 -2.399 -3.421 -4.147 207 HA PHE 26 HA PHE 26 -3.103 -0.620 -3.783 208 HB2 PHE 26 HB2 PHE 26 -5.283 -1.336 -4.853 209 HB3 PHE 26 HB1 PHE 26 -3.855 -1.501 -5.866 210 HD1 PHE 26 HD1 PHE 26 -3.065 -3.656 -6.560 211 HD2 PHE 26 HD2 PHE 26 -6.391 -3.318 -3.924 212 HE1 PHE 26 HE1 PHE 26 -3.597 -6.028 -6.930 213 HE2 PHE 26 HE2 PHE 26 -6.928 -5.690 -4.291 214 HZ PHE 26 HZ PHE 26 -5.529 -7.051 -5.796 215 H ALA 27 HN ALA 27 -2.774 -2.955 -1.753 216 HA ALA 27 HA ALA 27 -3.652 -3.658 0.203 217 HB1 ALA 27 HB1 ALA 27 -5.455 -1.250 -0.019 218 HB2 ALA 27 HB2 ALA 27 -3.851 -1.267 0.714 219 HB3 ALA 27 HB3 ALA 27 -5.161 -2.202 1.435 220 H TRP 28 HN TRP 28 -4.832 -5.416 0.392 221 HA TRP 28 HA TRP 28 -6.946 -5.990 -1.449 222 HB2 TRP 28 HB2 TRP 28 -5.832 -7.517 0.895 223 HB3 TRP 28 HB1 TRP 28 -7.136 -8.108 -0.119 224 HD1 TRP 28 HD1 TRP 28 -3.370 -7.429 -0.191 225 HE1 TRP 28 HE1 TRP 28 -2.364 -8.627 -2.235 226 HE3 TRP 28 HE3 TRP 28 -7.691 -8.952 -2.423 227 HZ2 TRP 28 HZ2 TRP 28 -3.294 -10.036 -4.503 228 HZ3 TRP 28 HZ3 TRP 28 -7.557 -10.221 -4.529 229 HH2 TRP 28 HH2 TRP 28 -5.403 -10.751 -5.543 230 H ASN 29 HN ASN 29 -7.805 -3.863 -0.338 231 HA ASN 29 HA ASN 29 -9.769 -4.635 1.709 232 HB2 ASN 29 HB2 ASN 29 -8.710 -1.891 1.003 233 HB3 ASN 29 HB1 ASN 29 -9.949 -2.221 2.205 234 HD21 ASN 29 HD21 ASN 29 -7.344 -0.949 2.477 235 HD22 ASN 29 HD22 ASN 29 -6.488 -1.867 3.671 236 H VAL 30 HN VAL 30 -11.899 -4.094 1.438 237 HA VAL 30 HA VAL 30 -12.783 -3.235 -1.215 238 HB VAL 30 HB VAL 30 -14.485 -4.041 1.153 239 HG11 VAL 30 HG11 VAL 30 -15.648 -2.750 -0.532 240 HG12 VAL 30 HG12 VAL 30 -16.213 -4.418 -0.536 241 HG13 VAL 30 HG13 VAL 30 -15.105 -3.861 -1.790 242 HG21 VAL 30 HG21 VAL 30 -13.534 -5.793 -1.107 243 HG22 VAL 30 HG22 VAL 30 -14.704 -6.248 0.132 244 HG23 VAL 30 HG23 VAL 30 -13.033 -5.905 0.583 245 H CYS 31 HN CYS 31 -12.511 -1.056 -1.282 246 HA CYS 31 HA CYS 31 -13.368 0.502 1.038 247 HB2 CYS 31 HB2 CYS 31 -12.140 2.381 -0.158 248 HB3 CYS 31 HB1 CYS 31 -11.155 1.057 0.455 249 HG CYS 31 HG CYS 31 -11.487 2.177 -2.645 250 H VAL 32 HN VAL 32 -15.081 1.757 1.025 251 HA VAL 32 HA VAL 32 -16.254 2.577 -1.538 252 HB VAL 32 HB VAL 32 -18.539 2.314 -0.317 253 HG11 VAL 32 HG11 VAL 32 -17.035 -0.058 -1.405 254 HG12 VAL 32 HG12 VAL 32 -17.928 1.142 -2.340 255 HG13 VAL 32 HG13 VAL 32 -18.789 0.058 -1.245 256 HG21 VAL 32 HG21 VAL 32 -16.870 0.274 1.152 257 HG22 VAL 32 HG22 VAL 32 -18.633 0.362 1.180 258 HG23 VAL 32 HG23 VAL 32 -17.672 1.677 1.859 259 H TYR 33 HN TYR 33 -17.495 4.506 -1.402 260 HA TYR 33 HA TYR 33 -16.440 6.205 0.723 261 HB2 TYR 33 HB2 TYR 33 -17.899 6.978 -1.808 262 HB3 TYR 33 HB1 TYR 33 -17.137 8.090 -0.673 263 HD1 TYR 33 HD1 TYR 33 -16.680 6.214 -3.630 264 HD2 TYR 33 HD2 TYR 33 -14.589 7.687 -0.233 265 HE1 TYR 33 HE1 TYR 33 -14.561 5.965 -4.833 266 HE2 TYR 33 HE2 TYR 33 -12.459 7.443 -1.433 267 HH TYR 33 HH TYR 33 -12.282 6.888 -4.777 268 H ARG 34 HN ARG 34 -17.689 5.599 2.415 269 HA ARG 34 HA ARG 34 -20.575 5.956 2.245 270 HB2 ARG 34 HB2 ARG 34 -18.750 4.872 4.394 271 HB3 ARG 34 HB1 ARG 34 -20.460 5.174 4.673 272 HG2 ARG 34 HG2 ARG 34 -21.091 3.550 3.059 273 HG3 ARG 34 HG1 ARG 34 -19.430 3.392 2.484 274 HD2 ARG 34 HD2 ARG 34 -20.153 1.524 3.945 275 HD3 ARG 34 HD1 ARG 34 -18.748 2.393 4.557 276 HE ARG 34 HE ARG 34 -21.177 3.420 5.641 277 HH11 ARG 34 HH11 ARG 34 -18.920 0.756 5.899 278 HH12 ARG 34 HH12 ARG 34 -19.241 0.477 7.581 279 HH21 ARG 34 HH21 ARG 34 -21.616 3.056 7.853 280 HH22 ARG 34 HH22 ARG 34 -20.788 1.784 8.695 281 H ASN 35 HN ASN 35 -21.487 7.786 2.725 282 HA ASN 35 HA ASN 35 -21.682 10.001 3.103 283 HB2 ASN 35 HB2 ASN 35 -21.460 10.701 5.457 284 HB3 ASN 35 HB1 ASN 35 -22.328 9.186 5.281 285 HD21 ASN 35 HD21 ASN 35 -19.396 10.706 6.374 286 HD22 ASN 35 HD22 ASN 35 -18.833 9.381 7.332 287 H GLY 36 HN GLY 36 -19.209 9.316 1.835 288 HA2 GLY 36 HA2 GLY 36 -17.762 10.945 0.904 289 HA3 GLY 36 HA1 GLY 36 -17.863 11.856 2.398 290 H VAL 37 HN VAL 37 -17.405 8.955 3.609 291 HA VAL 37 HA VAL 37 -14.492 9.335 3.712 292 HB VAL 37 HB VAL 37 -16.223 7.632 5.511 293 HG11 VAL 37 HG11 VAL 37 -13.386 8.597 5.845 294 HG12 VAL 37 HG12 VAL 37 -13.881 6.949 5.456 295 HG13 VAL 37 HG13 VAL 37 -14.303 7.651 7.018 296 HG21 VAL 37 HG21 VAL 37 -16.003 9.432 7.165 297 HG22 VAL 37 HG22 VAL 37 -16.866 9.966 5.722 298 HG23 VAL 37 HG23 VAL 37 -15.181 10.424 5.962 299 H ARG 38 HN ARG 38 -13.089 7.811 3.095 300 HA ARG 38 HA ARG 38 -14.079 5.676 1.440 301 HB2 ARG 38 HB2 ARG 38 -12.115 6.964 0.748 302 HB3 ARG 38 HB1 ARG 38 -11.256 6.449 2.191 303 HG2 ARG 38 HG2 ARG 38 -11.136 4.207 1.429 304 HG3 ARG 38 HG1 ARG 38 -12.288 4.519 0.130 305 HD2 ARG 38 HD2 ARG 38 -10.033 4.391 -0.750 306 HD3 ARG 38 HD1 ARG 38 -10.673 6.020 -0.934 307 HE ARG 38 HE ARG 38 -9.303 6.113 1.418 308 HH11 ARG 38 HH11 ARG 38 -8.461 5.108 -1.836 309 HH12 ARG 38 HH12 ARG 38 -6.815 5.638 -1.703 310 HH21 ARG 38 HH21 ARG 38 -7.145 6.785 1.597 311 HH22 ARG 38 HH22 ARG 38 -6.060 6.585 0.259 312 H VAL 39 HN VAL 39 -15.072 4.224 2.696 313 HA VAL 39 HA VAL 39 -13.851 3.210 5.131 314 HB VAL 39 HB VAL 39 -16.416 2.321 3.816 315 HG11 VAL 39 HG11 VAL 39 -17.071 1.760 6.124 316 HG12 VAL 39 HG12 VAL 39 -15.444 2.184 6.661 317 HG13 VAL 39 HG13 VAL 39 -15.683 0.831 5.555 318 HG21 VAL 39 HG21 VAL 39 -17.491 3.936 5.405 319 HG22 VAL 39 HG22 VAL 39 -16.631 4.641 4.034 320 HG23 VAL 39 HG23 VAL 39 -15.890 4.639 5.636 321 H CYS 40 HN CYS 40 -12.795 1.308 5.266 322 HA CYS 40 HA CYS 40 -12.840 -0.402 2.881 323 HB2 CYS 40 HB2 CYS 40 -10.388 -0.723 3.190 324 HB3 CYS 40 HB1 CYS 40 -10.841 0.916 2.762 325 HG CYS 40 HG CYS 40 -9.251 1.825 4.570 326 H HIS 41 HN HIS 41 -13.064 -2.495 3.212 327 HA HIS 41 HA HIS 41 -12.236 -3.625 5.793 328 HB2 HIS 41 HB2 HIS 41 -14.093 -5.299 5.584 329 HB3 HIS 41 HB1 HIS 41 -14.600 -3.672 5.976 330 HD1 HIS 41 HD1 HIS 41 -15.249 -6.423 3.732 331 HD2 HIS 41 HD2 HIS 41 -15.743 -2.301 3.591 332 HE1 HIS 41 HE1 HIS 41 -16.885 -6.008 1.882 333 HE2 HIS 41 HE2 HIS 41 -17.328 -3.528 1.959 334 H ARG 42 HN ARG 42 -11.464 -5.740 5.704 335 HA ARG 42 HA ARG 42 -9.807 -6.010 3.398 336 HB2 ARG 42 HB2 ARG 42 -10.086 -7.708 5.871 337 HB3 ARG 42 HB1 ARG 42 -8.892 -8.008 4.612 338 HG2 ARG 42 HG2 ARG 42 -7.961 -5.773 4.971 339 HG3 ARG 42 HG1 ARG 42 -9.142 -5.496 6.252 340 HD2 ARG 42 HD2 ARG 42 -8.199 -7.342 7.529 341 HD3 ARG 42 HD1 ARG 42 -7.037 -7.653 6.239 342 HE ARG 42 HE ARG 42 -6.546 -5.085 6.807 343 HH11 ARG 42 HH11 ARG 42 -6.873 -7.881 8.887 344 HH12 ARG 42 HH12 ARG 42 -5.805 -7.252 10.098 345 HH21 ARG 42 HH21 ARG 42 -5.139 -4.265 8.383 346 HH22 ARG 42 HH22 ARG 42 -4.814 -5.192 9.815 347 H ARG 43 HN ARG 43 -9.917 -7.274 1.713 348 HA ARG 43 HA ARG 43 -12.354 -8.506 0.992 349 HB2 ARG 43 HB2 ARG 43 -9.615 -8.705 -0.278 350 HB3 ARG 43 HB1 ARG 43 -11.107 -9.261 -1.017 351 HG2 ARG 43 HG2 ARG 43 -11.951 -6.973 -1.026 352 HG3 ARG 43 HG1 ARG 43 -10.443 -6.416 -0.299 353 HD2 ARG 43 HD2 ARG 43 -9.237 -7.371 -2.272 354 HD3 ARG 43 HD1 ARG 43 -10.808 -7.688 -3.008 355 HE ARG 43 HE ARG 43 -10.596 -4.970 -2.220 356 HH11 ARG 43 HH11 ARG 43 -9.545 -7.216 -4.697 357 HH12 ARG 43 HH12 ARG 43 -9.303 -5.980 -5.889 358 HH21 ARG 43 HH21 ARG 43 -10.282 -3.346 -3.790 359 HH22 ARG 43 HH22 ARG 43 -9.723 -3.781 -5.373 360 H ALA 44 HN ALA 44 -12.792 -10.652 0.582 361 HA ALA 44 HA ALA 44 -11.469 -12.521 2.366 362 HB1 ALA 44 HB1 ALA 44 -13.312 -14.032 1.812 363 HB2 ALA 44 HB2 ALA 44 -13.893 -12.884 0.606 364 HB3 ALA 44 HB3 ALA 44 -13.910 -12.451 2.315 365 H ASN 45 HN ASN 45 -9.684 -11.856 0.505 366 HA ASN 45 HA ASN 45 -9.728 -13.960 -1.542 367 HB2 ASN 45 HB2 ASN 45 -8.180 -11.381 -1.313 368 HB3 ASN 45 HB1 ASN 45 -7.736 -12.635 -2.464 369 HD21 ASN 45 HD21 ASN 45 -8.964 -12.957 -4.262 370 HD22 ASN 45 HD22 ASN 45 -10.261 -11.911 -4.725 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 22.150 -0.343 27.698 2 H2 ARG 1 HT2 ARG 1 21.262 0.069 26.320 3 H3 ARG 1 HT3 ARG 1 22.884 -0.380 26.176 4 HA ARG 1 HA ARG 1 22.399 -2.593 26.914 5 HB2 ARG 1 HB2 ARG 1 20.108 -3.327 27.271 6 HB3 ARG 1 HB1 ARG 1 20.508 -2.019 28.372 7 HG2 ARG 1 HG2 ARG 1 19.300 -0.446 26.952 8 HG3 ARG 1 HG1 ARG 1 18.902 -1.756 25.839 9 HD2 ARG 1 HD2 ARG 1 18.074 -1.572 28.735 10 HD3 ARG 1 HD1 ARG 1 17.038 -1.263 27.343 11 HE ARG 1 HE ARG 1 18.103 -3.838 27.086 12 HH11 ARG 1 HH11 ARG 1 15.875 -2.078 29.135 13 HH12 ARG 1 HH12 ARG 1 14.965 -3.489 29.570 14 HH21 ARG 1 HH21 ARG 1 16.897 -5.687 27.635 15 HH22 ARG 1 HH22 ARG 1 15.543 -5.545 28.711 16 H VAL 2 HN VAL 2 21.673 -0.439 24.475 17 HA VAL 2 HA VAL 2 20.547 -2.348 22.614 18 HB VAL 2 HB VAL 2 21.738 0.335 21.904 19 HG11 VAL 2 HG11 VAL 2 19.575 -1.322 20.608 20 HG12 VAL 2 HG12 VAL 2 21.237 -1.165 20.042 21 HG13 VAL 2 HG13 VAL 2 20.168 0.237 20.036 22 HG21 VAL 2 HG21 VAL 2 20.126 0.664 23.712 23 HG22 VAL 2 HG22 VAL 2 18.912 -0.222 22.791 24 HG23 VAL 2 HG23 VAL 2 19.526 1.317 22.189 25 H GLN 3 HN GLN 3 22.286 -3.890 23.000 26 HA GLN 3 HA GLN 3 24.725 -3.274 21.468 27 HB2 GLN 3 HB2 GLN 3 24.732 -3.671 24.102 28 HB3 GLN 3 HB1 GLN 3 24.731 -5.354 23.609 29 HG2 GLN 3 HG2 GLN 3 26.981 -4.688 23.998 30 HG3 GLN 3 HG1 GLN 3 26.768 -4.903 22.264 31 HE21 GLN 3 HE21 GLN 3 28.714 -3.333 23.812 32 HE22 GLN 3 HE22 GLN 3 28.594 -1.715 23.210 33 H GLY 4 HN GLY 4 25.780 -5.844 21.326 34 HA2 GLY 4 HA2 GLY 4 24.486 -6.943 19.137 35 HA3 GLY 4 HA1 GLY 4 25.634 -7.803 20.145 36 H ARG 5 HN ARG 5 23.916 -7.547 22.527 37 HA ARG 5 HA ARG 5 22.413 -9.927 22.251 38 HB2 ARG 5 HB2 ARG 5 21.665 -9.505 24.518 39 HB3 ARG 5 HB1 ARG 5 23.381 -9.134 24.392 40 HG2 ARG 5 HG2 ARG 5 22.893 -6.767 24.260 41 HG3 ARG 5 HG1 ARG 5 21.161 -7.102 24.288 42 HD2 ARG 5 HD2 ARG 5 21.857 -6.416 26.468 43 HD3 ARG 5 HD1 ARG 5 21.444 -8.131 26.516 44 HE ARG 5 HE ARG 5 24.236 -7.682 26.049 45 HH11 ARG 5 HH11 ARG 5 21.763 -7.894 28.502 46 HH12 ARG 5 HH12 ARG 5 22.876 -8.279 29.777 47 HH21 ARG 5 HH21 ARG 5 25.714 -8.192 27.717 48 HH22 ARG 5 HH22 ARG 5 25.128 -8.446 29.333 49 H TRP 6 HN TRP 6 21.636 -6.570 21.817 50 HA TRP 6 HA TRP 6 18.781 -7.072 22.109 51 HB2 TRP 6 HB2 TRP 6 19.883 -5.090 23.186 52 HB3 TRP 6 HB1 TRP 6 20.185 -4.451 21.569 53 HD1 TRP 6 HD1 TRP 6 18.272 -3.082 20.469 54 HE1 TRP 6 HE1 TRP 6 15.837 -2.526 21.110 55 HE3 TRP 6 HE3 TRP 6 17.759 -6.204 24.483 56 HZ2 TRP 6 HZ2 TRP 6 13.959 -3.310 23.064 57 HZ3 TRP 6 HZ3 TRP 6 15.612 -6.241 25.681 58 HH2 TRP 6 HH2 TRP 6 13.753 -4.823 24.986 59 H LYS 7 HN LYS 7 21.170 -6.591 19.657 60 HA LYS 7 HA LYS 7 19.301 -5.821 17.621 61 HB2 LYS 7 HB2 LYS 7 21.172 -6.109 16.068 62 HB3 LYS 7 HB1 LYS 7 21.579 -5.070 17.417 63 HG2 LYS 7 HG2 LYS 7 23.473 -6.320 17.272 64 HG3 LYS 7 HG1 LYS 7 22.548 -7.305 18.405 65 HD2 LYS 7 HD2 LYS 7 21.839 -8.764 16.600 66 HD3 LYS 7 HD1 LYS 7 22.667 -7.745 15.420 67 HE2 LYS 7 HE2 LYS 7 24.808 -8.256 16.504 68 HE3 LYS 7 HE1 LYS 7 23.970 -9.290 17.660 69 HZ1 LYS 7 HZ1 LYS 7 24.044 -9.705 14.720 70 HZ2 LYS 7 HZ2 LYS 7 23.268 -10.705 15.841 71 HZ3 LYS 7 HZ3 LYS 7 24.951 -10.566 15.857 72 H VAL 8 HN VAL 8 19.763 -8.627 19.174 73 HA VAL 8 HA VAL 8 19.673 -10.620 17.226 74 HB VAL 8 HB VAL 8 19.946 -11.007 19.689 75 HG11 VAL 8 HG11 VAL 8 16.956 -10.639 19.735 76 HG12 VAL 8 HG12 VAL 8 18.153 -9.610 20.521 77 HG13 VAL 8 HG13 VAL 8 17.930 -11.274 21.061 78 HG21 VAL 8 HG21 VAL 8 18.741 -13.146 19.723 79 HG22 VAL 8 HG22 VAL 8 19.560 -12.872 18.186 80 HG23 VAL 8 HG23 VAL 8 17.817 -12.638 18.310 81 H ARG 9 HN ARG 9 17.265 -8.360 18.252 82 HA ARG 9 HA ARG 9 14.941 -9.623 17.330 83 HB2 ARG 9 HB2 ARG 9 14.015 -7.314 17.144 84 HB3 ARG 9 HB1 ARG 9 14.777 -7.649 18.693 85 HG2 ARG 9 HG2 ARG 9 16.757 -6.427 18.019 86 HG3 ARG 9 HG1 ARG 9 16.063 -6.148 16.420 87 HD2 ARG 9 HD2 ARG 9 14.271 -4.843 17.397 88 HD3 ARG 9 HD1 ARG 9 14.875 -5.183 19.018 89 HE ARG 9 HE ARG 9 16.969 -3.975 18.154 90 HH11 ARG 9 HH11 ARG 9 13.686 -3.195 17.196 91 HH12 ARG 9 HH12 ARG 9 14.035 -1.521 16.908 92 HH21 ARG 9 HH21 ARG 9 17.420 -1.772 17.794 93 HH22 ARG 9 HH22 ARG 9 16.162 -0.712 17.244 94 H ALA 10 HN ALA 10 17.538 -8.076 15.640 95 HA ALA 10 HA ALA 10 16.096 -7.788 13.156 96 HB1 ALA 10 HB1 ALA 10 18.241 -7.050 12.244 97 HB2 ALA 10 HB2 ALA 10 19.043 -7.514 13.745 98 HB3 ALA 10 HB3 ALA 10 17.862 -6.206 13.746 99 H SER 11 HN SER 11 17.241 -10.397 14.765 100 HA SER 11 HA SER 11 18.078 -11.817 12.347 101 HB2 SER 11 HB2 SER 11 19.466 -12.027 14.421 102 HB3 SER 11 HB1 SER 11 18.090 -12.787 15.218 103 HG SER 11 HG SER 11 18.180 -14.398 13.525 104 H PHE 12 HN PHE 12 15.263 -10.959 13.478 105 HA PHE 12 HA PHE 12 14.028 -13.622 13.303 106 HB2 PHE 12 HB2 PHE 12 12.941 -11.115 14.589 107 HB3 PHE 12 HB1 PHE 12 12.098 -12.656 14.498 108 HD1 PHE 12 HD1 PHE 12 13.292 -10.766 16.839 109 HD2 PHE 12 HD2 PHE 12 14.264 -14.549 15.152 110 HE1 PHE 12 HE1 PHE 12 14.333 -11.439 18.962 111 HE2 PHE 12 HE2 PHE 12 15.310 -15.228 17.274 112 HZ PHE 12 HZ PHE 12 15.342 -13.672 19.182 113 H PHE 13 HN PHE 13 14.464 -10.899 11.382 114 HA PHE 13 HA PHE 13 11.724 -10.714 10.507 115 HB2 PHE 13 HB2 PHE 13 12.381 -8.921 9.049 116 HB3 PHE 13 HB1 PHE 13 13.106 -8.672 10.626 117 HD1 PHE 13 HD1 PHE 13 13.852 -9.929 7.206 118 HD2 PHE 13 HD2 PHE 13 15.382 -8.278 10.815 119 HE1 PHE 13 HE1 PHE 13 16.037 -9.604 6.128 120 HE2 PHE 13 HE2 PHE 13 17.572 -7.957 9.743 121 HZ PHE 13 HZ PHE 13 17.900 -8.618 7.398 122 H LYS 14 HN LYS 14 14.178 -12.780 9.781 123 HA LYS 14 HA LYS 14 13.254 -13.284 7.059 124 HB2 LYS 14 HB2 LYS 14 15.309 -14.738 8.738 125 HB3 LYS 14 HB1 LYS 14 14.905 -15.142 7.077 126 HG2 LYS 14 HG2 LYS 14 15.656 -12.926 6.363 127 HG3 LYS 14 HG1 LYS 14 16.093 -12.546 8.028 128 HD2 LYS 14 HD2 LYS 14 17.643 -14.486 8.005 129 HD3 LYS 14 HD1 LYS 14 17.270 -14.716 6.296 130 HE2 LYS 14 HE2 LYS 14 19.319 -13.483 6.470 131 HE3 LYS 14 HE1 LYS 14 18.063 -12.402 5.871 132 HZ1 LYS 14 HZ1 LYS 14 19.075 -12.545 8.660 133 HZ2 LYS 14 HZ2 LYS 14 17.807 -11.554 8.142 134 HZ3 LYS 14 HZ3 LYS 14 19.370 -11.308 7.547 135 H GLU 15 HN GLU 15 12.855 -14.397 10.298 136 HA GLU 15 HA GLU 15 11.347 -16.745 9.593 137 HB2 GLU 15 HB2 GLU 15 12.646 -16.503 11.730 138 HB3 GLU 15 HB1 GLU 15 11.478 -15.293 12.245 139 HG2 GLU 15 HG2 GLU 15 10.990 -17.439 13.244 140 HG3 GLU 15 HG1 GLU 15 9.701 -16.966 12.138 141 H ALA 16 HN ALA 16 10.777 -13.396 10.270 142 HA ALA 16 HA ALA 16 7.892 -13.728 10.217 143 HB1 ALA 16 HB1 ALA 16 7.791 -11.357 10.729 144 HB2 ALA 16 HB2 ALA 16 9.535 -11.220 10.509 145 HB3 ALA 16 HB3 ALA 16 8.887 -12.177 11.840 146 H ALA 17 HN ALA 17 10.025 -13.922 7.916 147 HA ALA 17 HA ALA 17 9.254 -11.875 6.072 148 HB1 ALA 17 HB1 ALA 17 11.466 -12.920 5.978 149 HB2 ALA 17 HB2 ALA 17 10.603 -13.098 4.451 150 HB3 ALA 17 HB3 ALA 17 10.719 -14.462 5.561 151 H ALA 18 HN ALA 18 7.677 -14.555 7.176 152 HA ALA 18 HA ALA 18 6.397 -15.484 4.823 153 HB1 ALA 18 HB1 ALA 18 4.870 -16.625 6.339 154 HB2 ALA 18 HB2 ALA 18 5.484 -15.674 7.692 155 HB3 ALA 18 HB3 ALA 18 6.539 -16.824 6.872 156 H LYS 19 HN LYS 19 6.187 -12.574 6.414 157 HA LYS 19 HA LYS 19 3.395 -12.046 6.006 158 HB2 LYS 19 HB2 LYS 19 5.702 -10.175 6.554 159 HB3 LYS 19 HB1 LYS 19 4.017 -9.686 6.500 160 HG2 LYS 19 HG2 LYS 19 3.566 -11.247 8.377 161 HG3 LYS 19 HG1 LYS 19 5.300 -11.561 8.474 162 HD2 LYS 19 HD2 LYS 19 3.979 -8.863 8.788 163 HD3 LYS 19 HD1 LYS 19 4.571 -9.872 10.108 164 HE2 LYS 19 HE2 LYS 19 6.837 -9.695 9.267 165 HE3 LYS 19 HE1 LYS 19 6.274 -8.776 7.874 166 HZ1 LYS 19 HZ1 LYS 19 5.550 -7.024 9.369 167 HZ2 LYS 19 HZ2 LYS 19 7.199 -7.328 9.562 168 HZ3 LYS 19 HZ3 LYS 19 6.095 -7.905 10.706 169 H GLU 20 HN GLU 20 5.618 -12.680 3.810 170 HA GLU 20 HA GLU 20 5.574 -10.553 1.985 171 HB2 GLU 20 HB2 GLU 20 6.134 -12.264 0.276 172 HB3 GLU 20 HB1 GLU 20 7.144 -12.367 1.711 173 HG2 GLU 20 HG2 GLU 20 5.956 -14.280 2.496 174 HG3 GLU 20 HG1 GLU 20 4.737 -14.103 1.234 175 H ALA 21 HN ALA 21 3.199 -12.906 2.823 176 HA ALA 21 HA ALA 21 1.555 -12.839 0.561 177 HB1 ALA 21 HB1 ALA 21 -0.229 -13.595 2.041 178 HB2 ALA 21 HB2 ALA 21 0.743 -13.164 3.447 179 HB3 ALA 21 HB3 ALA 21 1.274 -14.457 2.371 180 H ALA 22 HN ALA 22 2.029 -10.549 3.141 181 HA ALA 22 HA ALA 22 -0.398 -9.098 2.720 182 HB1 ALA 22 HB1 ALA 22 0.526 -7.472 4.274 183 HB2 ALA 22 HB2 ALA 22 2.101 -8.260 4.178 184 HB3 ALA 22 HB3 ALA 22 0.730 -9.111 4.890 185 H ALA 23 HN ALA 23 2.441 -9.279 0.963 186 HA ALA 23 HA ALA 23 2.205 -6.554 -0.065 187 HB1 ALA 23 HB1 ALA 23 4.252 -8.682 -0.687 188 HB2 ALA 23 HB2 ALA 23 4.454 -7.358 0.460 189 HB3 ALA 23 HB3 ALA 23 4.286 -7.015 -1.262 190 H LYS 24 HN LYS 24 1.605 -9.871 -0.918 191 HA LYS 24 HA LYS 24 1.058 -9.167 -3.697 192 HB2 LYS 24 HB2 LYS 24 0.778 -11.636 -3.997 193 HB3 LYS 24 HB1 LYS 24 2.371 -11.150 -3.435 194 HG2 LYS 24 HG2 LYS 24 1.653 -11.725 -1.121 195 HG3 LYS 24 HG1 LYS 24 0.159 -12.369 -1.801 196 HD2 LYS 24 HD2 LYS 24 2.929 -13.311 -2.538 197 HD3 LYS 24 HD1 LYS 24 1.881 -14.102 -1.360 198 HE2 LYS 24 HE2 LYS 24 0.201 -14.452 -3.123 199 HE3 LYS 24 HE1 LYS 24 1.286 -13.700 -4.291 200 HZ1 LYS 24 HZ1 LYS 24 2.861 -15.454 -3.973 201 HZ2 LYS 24 HZ2 LYS 24 1.360 -16.155 -4.304 202 HZ3 LYS 24 HZ3 LYS 24 1.949 -16.128 -2.719 203 H GLY 25 HN GLY 25 -0.594 -10.199 -0.777 204 HA2 GLY 25 HA2 GLY 25 -3.008 -9.090 -1.209 205 HA3 GLY 25 HA1 GLY 25 -3.114 -10.574 -2.143 206 H PHE 26 HN PHE 26 -2.654 -9.252 1.077 207 HA PHE 26 HA PHE 26 -3.703 -11.778 2.172 208 HB2 PHE 26 HB2 PHE 26 -1.357 -11.291 2.874 209 HB3 PHE 26 HB1 PHE 26 -1.920 -9.782 3.580 210 HD1 PHE 26 HD1 PHE 26 -2.750 -9.711 5.756 211 HD2 PHE 26 HD2 PHE 26 -2.270 -13.463 3.804 212 HE1 PHE 26 HE1 PHE 26 -3.202 -10.870 7.879 213 HE2 PHE 26 HE2 PHE 26 -2.724 -14.625 5.923 214 HZ PHE 26 HZ PHE 26 -3.190 -13.328 7.964 215 H ALA 27 HN ALA 27 -3.783 -8.329 2.122 216 HA ALA 27 HA ALA 27 -6.335 -8.361 3.561 217 HB1 ALA 27 HB1 ALA 27 -4.615 -7.638 5.143 218 HB2 ALA 27 HB2 ALA 27 -5.712 -6.313 4.750 219 HB3 ALA 27 HB3 ALA 27 -4.106 -6.375 4.022 220 H TRP 28 HN TRP 28 -6.817 -8.401 1.142 221 HA TRP 28 HA TRP 28 -6.513 -6.132 -0.465 222 HB2 TRP 28 HB2 TRP 28 -8.868 -8.026 -0.424 223 HB3 TRP 28 HB1 TRP 28 -8.376 -6.995 -1.759 224 HD1 TRP 28 HD1 TRP 28 -6.067 -7.713 -3.044 225 HE1 TRP 28 HE1 TRP 28 -5.041 -10.047 -3.400 226 HE3 TRP 28 HE3 TRP 28 -8.554 -10.252 0.624 227 HZ2 TRP 28 HZ2 TRP 28 -5.261 -12.625 -2.266 228 HZ3 TRP 28 HZ3 TRP 28 -8.089 -12.646 0.928 229 HH2 TRP 28 HH2 TRP 28 -6.475 -13.810 -0.489 230 H ASN 29 HN ASN 29 -7.024 -4.156 0.273 231 HA ASN 29 HA ASN 29 -9.291 -3.750 1.995 232 HB2 ASN 29 HB2 ASN 29 -8.640 -1.355 1.929 233 HB3 ASN 29 HB1 ASN 29 -7.332 -2.404 2.437 234 HD21 ASN 29 HD21 ASN 29 -7.332 0.298 1.290 235 HD22 ASN 29 HD22 ASN 29 -6.337 0.211 -0.118 236 H VAL 30 HN VAL 30 -11.239 -3.792 1.183 237 HA VAL 30 HA VAL 30 -11.792 -2.798 -1.492 238 HB VAL 30 HB VAL 30 -13.827 -3.729 0.533 239 HG11 VAL 30 HG11 VAL 30 -15.153 -4.259 -1.452 240 HG12 VAL 30 HG12 VAL 30 -13.850 -3.663 -2.480 241 HG13 VAL 30 HG13 VAL 30 -14.702 -2.556 -1.404 242 HG21 VAL 30 HG21 VAL 30 -12.228 -5.513 0.375 243 HG22 VAL 30 HG22 VAL 30 -12.238 -5.424 -1.388 244 HG23 VAL 30 HG23 VAL 30 -13.677 -5.965 -0.523 245 H CYS 31 HN CYS 31 -11.611 -0.656 -1.484 246 HA CYS 31 HA CYS 31 -12.658 0.895 0.728 247 HB2 CYS 31 HB2 CYS 31 -11.626 2.804 -0.619 248 HB3 CYS 31 HB1 CYS 31 -10.536 1.602 0.066 249 HG CYS 31 HG CYS 31 -11.247 2.265 -3.168 250 H VAL 32 HN VAL 32 -14.578 1.693 0.759 251 HA VAL 32 HA VAL 32 -15.828 2.540 -1.770 252 HB VAL 32 HB VAL 32 -18.052 1.880 -0.839 253 HG11 VAL 32 HG11 VAL 32 -17.821 -0.514 -1.321 254 HG12 VAL 32 HG12 VAL 32 -16.068 -0.358 -1.204 255 HG13 VAL 32 HG13 VAL 32 -16.945 0.481 -2.484 256 HG21 VAL 32 HG21 VAL 32 -17.493 1.773 1.521 257 HG22 VAL 32 HG22 VAL 32 -16.398 0.424 1.219 258 HG23 VAL 32 HG23 VAL 32 -18.134 0.225 0.972 259 H TYR 33 HN TYR 33 -17.961 3.930 -0.900 260 HA TYR 33 HA TYR 33 -16.645 5.887 0.859 261 HB2 TYR 33 HB2 TYR 33 -18.568 6.453 -1.402 262 HB3 TYR 33 HB1 TYR 33 -17.734 7.647 -0.413 263 HD1 TYR 33 HD1 TYR 33 -17.690 6.176 -3.517 264 HD2 TYR 33 HD2 TYR 33 -15.045 7.113 -0.320 265 HE1 TYR 33 HE1 TYR 33 -15.793 6.106 -5.073 266 HE2 TYR 33 HE2 TYR 33 -13.141 7.048 -1.867 267 HH TYR 33 HH TYR 33 -13.488 7.065 -5.214 268 H ARG 34 HN ARG 34 -17.536 5.843 2.783 269 HA ARG 34 HA ARG 34 -20.461 5.622 2.959 270 HB2 ARG 34 HB2 ARG 34 -20.216 4.793 5.198 271 HB3 ARG 34 HB1 ARG 34 -19.129 3.867 4.176 272 HG2 ARG 34 HG2 ARG 34 -17.236 5.102 4.988 273 HG3 ARG 34 HG1 ARG 34 -18.291 6.167 5.921 274 HD2 ARG 34 HD2 ARG 34 -19.043 4.277 7.254 275 HD3 ARG 34 HD1 ARG 34 -18.030 3.189 6.309 276 HE ARG 34 HE ARG 34 -16.242 4.956 7.239 277 HH11 ARG 34 HH11 ARG 34 -18.789 3.174 8.837 278 HH12 ARG 34 HH12 ARG 34 -17.942 3.063 10.344 279 HH21 ARG 34 HH21 ARG 34 -15.120 4.819 9.224 280 HH22 ARG 34 HH22 ARG 34 -15.857 4.007 10.569 281 H ASN 35 HN ASN 35 -21.447 7.486 3.196 282 HA ASN 35 HA ASN 35 -21.907 9.656 3.690 283 HB2 ASN 35 HB2 ASN 35 -21.784 8.659 5.995 284 HB3 ASN 35 HB1 ASN 35 -20.116 9.207 6.090 285 HD21 ASN 35 HD21 ASN 35 -19.691 11.329 6.512 286 HD22 ASN 35 HD22 ASN 35 -20.914 12.487 6.910 287 H GLY 36 HN GLY 36 -19.793 9.215 1.883 288 HA2 GLY 36 HA2 GLY 36 -18.454 10.691 0.684 289 HA3 GLY 36 HA1 GLY 36 -18.570 11.831 2.014 290 H VAL 37 HN VAL 37 -17.701 9.322 3.701 291 HA VAL 37 HA VAL 37 -14.835 9.893 3.403 292 HB VAL 37 HB VAL 37 -16.177 8.383 5.643 293 HG11 VAL 37 HG11 VAL 37 -13.779 8.041 5.457 294 HG12 VAL 37 HG12 VAL 37 -14.165 8.978 6.900 295 HG13 VAL 37 HG13 VAL 37 -13.516 9.784 5.473 296 HG21 VAL 37 HG21 VAL 37 -15.580 11.334 5.482 297 HG22 VAL 37 HG22 VAL 37 -16.105 10.478 6.930 298 HG23 VAL 37 HG23 VAL 37 -17.178 10.591 5.536 299 H ARG 38 HN ARG 38 -13.394 8.385 2.861 300 HA ARG 38 HA ARG 38 -14.389 6.046 1.560 301 HB2 ARG 38 HB2 ARG 38 -12.491 7.315 0.667 302 HB3 ARG 38 HB1 ARG 38 -11.552 6.924 2.100 303 HG2 ARG 38 HG2 ARG 38 -11.651 4.550 1.517 304 HG3 ARG 38 HG1 ARG 38 -12.605 4.942 0.086 305 HD2 ARG 38 HD2 ARG 38 -10.323 4.626 -0.577 306 HD3 ARG 38 HD1 ARG 38 -10.718 6.336 -0.721 307 HE ARG 38 HE ARG 38 -9.629 6.041 1.788 308 HH11 ARG 38 HH11 ARG 38 -8.586 5.392 -1.490 309 HH12 ARG 38 HH12 ARG 38 -6.916 5.722 -1.162 310 HH21 ARG 38 HH21 ARG 38 -7.426 6.460 2.229 311 HH22 ARG 38 HH22 ARG 38 -6.254 6.322 0.959 312 H VAL 39 HN VAL 39 -14.504 4.054 2.266 313 HA VAL 39 HA VAL 39 -13.333 3.374 4.877 314 HB VAL 39 HB VAL 39 -15.716 3.848 5.113 315 HG11 VAL 39 HG11 VAL 39 -16.120 1.655 3.125 316 HG12 VAL 39 HG12 VAL 39 -16.416 3.372 2.864 317 HG13 VAL 39 HG13 VAL 39 -17.392 2.476 4.028 318 HG21 VAL 39 HG21 VAL 39 -15.069 0.924 5.367 319 HG22 VAL 39 HG22 VAL 39 -16.455 1.729 6.108 320 HG23 VAL 39 HG23 VAL 39 -14.814 2.173 6.588 321 H CYS 40 HN CYS 40 -12.425 1.366 5.019 322 HA CYS 40 HA CYS 40 -12.498 -0.211 2.543 323 HB2 CYS 40 HB2 CYS 40 -10.036 0.203 4.232 324 HB3 CYS 40 HB1 CYS 40 -10.140 -0.542 2.640 325 HG CYS 40 HG CYS 40 -9.713 2.635 3.445 326 H HIS 41 HN HIS 41 -12.715 -2.346 2.757 327 HA HIS 41 HA HIS 41 -12.303 -3.536 5.408 328 HB2 HIS 41 HB2 HIS 41 -14.260 -5.020 5.022 329 HB3 HIS 41 HB1 HIS 41 -14.689 -3.338 5.243 330 HD1 HIS 41 HD1 HIS 41 -15.298 -6.173 3.112 331 HD2 HIS 41 HD2 HIS 41 -15.289 -2.045 2.622 332 HE1 HIS 41 HE1 HIS 41 -16.607 -5.741 1.014 333 HE2 HIS 41 HE2 HIS 41 -16.781 -3.234 0.876 334 H ARG 42 HN ARG 42 -11.968 -5.823 5.363 335 HA ARG 42 HA ARG 42 -10.264 -6.519 3.112 336 HB2 ARG 42 HB2 ARG 42 -10.771 -7.861 5.769 337 HB3 ARG 42 HB1 ARG 42 -9.701 -8.515 4.541 338 HG2 ARG 42 HG2 ARG 42 -8.312 -6.509 4.681 339 HG3 ARG 42 HG1 ARG 42 -9.380 -5.865 5.929 340 HD2 ARG 42 HD2 ARG 42 -7.418 -6.865 6.938 341 HD3 ARG 42 HD1 ARG 42 -8.858 -7.794 7.353 342 HE ARG 42 HE ARG 42 -7.566 -8.843 5.041 343 HH11 ARG 42 HH11 ARG 42 -7.445 -8.772 8.533 344 HH12 ARG 42 HH12 ARG 42 -6.561 -10.257 8.661 345 HH21 ARG 42 HH21 ARG 42 -6.369 -10.791 5.204 346 HH22 ARG 42 HH22 ARG 42 -5.955 -11.402 6.778 347 H ARG 43 HN ARG 43 -10.545 -8.299 1.790 348 HA ARG 43 HA ARG 43 -13.228 -9.134 1.340 349 HB2 ARG 43 HB2 ARG 43 -10.644 -10.174 0.180 350 HB3 ARG 43 HB1 ARG 43 -12.247 -10.625 -0.378 351 HG2 ARG 43 HG2 ARG 43 -12.682 -8.307 -1.002 352 HG3 ARG 43 HG1 ARG 43 -11.064 -7.859 -0.455 353 HD2 ARG 43 HD2 ARG 43 -10.135 -9.493 -2.089 354 HD3 ARG 43 HD1 ARG 43 -11.769 -9.743 -2.700 355 HE ARG 43 HE ARG 43 -11.526 -7.103 -2.962 356 HH11 ARG 43 HH11 ARG 43 -9.370 -9.721 -3.827 357 HH12 ARG 43 HH12 ARG 43 -8.610 -8.847 -5.120 358 HH21 ARG 43 HH21 ARG 43 -10.524 -5.936 -4.670 359 HH22 ARG 43 HH22 ARG 43 -9.269 -6.691 -5.602 360 H ALA 44 HN ALA 44 -14.158 -11.065 1.675 361 HA ALA 44 HA ALA 44 -13.127 -12.587 3.910 362 HB1 ALA 44 HB1 ALA 44 -15.717 -12.880 2.393 363 HB2 ALA 44 HB2 ALA 44 -15.484 -11.931 3.861 364 HB3 ALA 44 HB3 ALA 44 -15.305 -13.685 3.906 365 H ASN 45 HN ASN 45 -11.291 -13.267 2.454 366 HA ASN 45 HA ASN 45 -11.899 -15.299 0.489 367 HB2 ASN 45 HB2 ASN 45 -9.995 -13.744 0.171 368 HB3 ASN 45 HB1 ASN 45 -9.221 -14.424 1.598 369 HD21 ASN 45 HD21 ASN 45 -10.112 -14.962 -1.710 370 HD22 ASN 45 HD22 ASN 45 -9.116 -16.353 -1.966 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 -1.233 21.504 14.749 2 H2 ARG 1 HT2 ARG 1 -1.937 22.325 13.453 3 H3 ARG 1 HT3 ARG 1 -0.264 22.085 13.492 4 HA ARG 1 HA ARG 1 -2.327 19.981 13.236 5 HB2 ARG 1 HB2 ARG 1 -0.428 21.264 11.291 6 HB3 ARG 1 HB1 ARG 1 -1.064 19.653 11.010 7 HG2 ARG 1 HG2 ARG 1 -2.907 21.943 11.542 8 HG3 ARG 1 HG1 ARG 1 -2.234 21.680 9.935 9 HD2 ARG 1 HD2 ARG 1 -4.396 20.623 10.085 10 HD3 ARG 1 HD1 ARG 1 -3.144 19.395 9.955 11 HE ARG 1 HE ARG 1 -4.251 20.093 12.588 12 HH11 ARG 1 HH11 ARG 1 -3.710 17.760 10.029 13 HH12 ARG 1 HH12 ARG 1 -4.268 16.410 10.968 14 HH21 ARG 1 HH21 ARG 1 -5.001 18.301 13.823 15 HH22 ARG 1 HH22 ARG 1 -5.008 16.718 13.110 16 H VAL 2 HN VAL 2 -1.167 19.175 15.224 17 HA VAL 2 HA VAL 2 1.232 17.689 14.389 18 HB VAL 2 HB VAL 2 1.766 19.208 16.207 19 HG11 VAL 2 HG11 VAL 2 0.740 18.981 18.422 20 HG12 VAL 2 HG12 VAL 2 -0.397 17.804 17.768 21 HG13 VAL 2 HG13 VAL 2 -0.432 19.473 17.200 22 HG21 VAL 2 HG21 VAL 2 1.651 16.334 17.109 23 HG22 VAL 2 HG22 VAL 2 2.656 17.590 17.830 24 HG23 VAL 2 HG23 VAL 2 2.933 17.089 16.163 25 H GLN 3 HN GLN 3 1.004 15.579 14.194 26 HA GLN 3 HA GLN 3 -1.362 14.313 15.361 27 HB2 GLN 3 HB2 GLN 3 0.511 13.502 13.143 28 HB3 GLN 3 HB1 GLN 3 -0.621 12.373 13.858 29 HG2 GLN 3 HG2 GLN 3 -1.585 13.210 11.862 30 HG3 GLN 3 HG1 GLN 3 -2.469 13.897 13.219 31 HE21 GLN 3 HE21 GLN 3 -0.205 14.528 10.654 32 HE22 GLN 3 HE22 GLN 3 -0.364 16.253 10.669 33 H GLY 4 HN GLY 4 -1.034 13.492 17.329 34 HA2 GLY 4 HA2 GLY 4 1.680 12.770 18.121 35 HA3 GLY 4 HA1 GLY 4 0.303 12.974 19.190 36 H ARG 5 HN ARG 5 -1.445 11.279 18.934 37 HA ARG 5 HA ARG 5 -0.201 8.753 19.323 38 HB2 ARG 5 HB2 ARG 5 -2.288 7.924 20.001 39 HB3 ARG 5 HB1 ARG 5 -2.285 9.601 20.515 40 HG2 ARG 5 HG2 ARG 5 -3.601 8.640 17.985 41 HG3 ARG 5 HG1 ARG 5 -4.432 8.772 19.533 42 HD2 ARG 5 HD2 ARG 5 -3.113 11.023 18.026 43 HD3 ARG 5 HD1 ARG 5 -4.845 10.722 18.133 44 HE ARG 5 HE ARG 5 -3.348 11.186 20.607 45 HH11 ARG 5 HH11 ARG 5 -5.680 12.308 18.246 46 HH12 ARG 5 HH12 ARG 5 -6.260 13.599 19.248 47 HH21 ARG 5 HH21 ARG 5 -4.109 12.874 21.923 48 HH22 ARG 5 HH22 ARG 5 -5.362 13.924 21.344 49 H TRP 6 HN TRP 6 -1.161 10.330 16.551 50 HA TRP 6 HA TRP 6 -2.078 8.253 14.914 51 HB2 TRP 6 HB2 TRP 6 -2.089 10.630 14.244 52 HB3 TRP 6 HB1 TRP 6 -0.330 10.603 14.168 53 HD1 TRP 6 HD1 TRP 6 -3.379 9.058 12.373 54 HE1 TRP 6 HE1 TRP 6 -2.685 8.481 9.963 55 HE3 TRP 6 HE3 TRP 6 1.592 10.209 12.672 56 HZ2 TRP 6 HZ2 TRP 6 -0.334 8.518 8.397 57 HZ3 TRP 6 HZ3 TRP 6 2.994 9.911 10.673 58 HH2 TRP 6 HH2 TRP 6 2.049 9.081 8.580 59 H LYS 7 HN LYS 7 1.160 9.206 15.914 60 HA LYS 7 HA LYS 7 2.555 7.472 14.143 61 HB2 LYS 7 HB2 LYS 7 3.490 8.593 16.791 62 HB3 LYS 7 HB1 LYS 7 4.512 7.942 15.518 63 HG2 LYS 7 HG2 LYS 7 3.694 9.769 14.030 64 HG3 LYS 7 HG1 LYS 7 2.855 10.453 15.421 65 HD2 LYS 7 HD2 LYS 7 5.829 10.016 15.157 66 HD3 LYS 7 HD1 LYS 7 4.989 11.565 15.088 67 HE2 LYS 7 HE2 LYS 7 5.123 9.712 17.467 68 HE3 LYS 7 HE1 LYS 7 6.023 11.211 17.270 69 HZ1 LYS 7 HZ1 LYS 7 3.901 12.402 17.200 70 HZ2 LYS 7 HZ2 LYS 7 4.115 11.574 18.657 71 HZ3 LYS 7 HZ3 LYS 7 3.074 10.953 17.480 72 H VAL 8 HN VAL 8 0.973 7.071 17.178 73 HA VAL 8 HA VAL 8 2.159 4.545 17.846 74 HB VAL 8 HB VAL 8 -0.465 5.700 18.817 75 HG11 VAL 8 HG11 VAL 8 1.349 3.620 20.026 76 HG12 VAL 8 HG12 VAL 8 -0.204 3.314 19.250 77 HG13 VAL 8 HG13 VAL 8 -0.135 4.243 20.747 78 HG21 VAL 8 HG21 VAL 8 2.285 5.977 20.024 79 HG22 VAL 8 HG22 VAL 8 0.777 6.552 20.735 80 HG23 VAL 8 HG23 VAL 8 1.370 7.260 19.232 81 H ARG 9 HN ARG 9 -0.695 5.680 16.142 82 HA ARG 9 HA ARG 9 -1.831 3.108 15.675 83 HB2 ARG 9 HB2 ARG 9 -2.179 5.730 14.208 84 HB3 ARG 9 HB1 ARG 9 -3.134 4.288 13.898 85 HG2 ARG 9 HG2 ARG 9 -3.966 4.360 16.206 86 HG3 ARG 9 HG1 ARG 9 -3.038 5.836 16.479 87 HD2 ARG 9 HD2 ARG 9 -5.416 6.272 15.962 88 HD3 ARG 9 HD1 ARG 9 -4.312 6.999 14.796 89 HE ARG 9 HE ARG 9 -5.035 4.490 13.823 90 HH11 ARG 9 HH11 ARG 9 -6.577 7.551 14.523 91 HH12 ARG 9 HH12 ARG 9 -7.762 7.382 13.267 92 HH21 ARG 9 HH21 ARG 9 -6.594 4.265 12.166 93 HH22 ARG 9 HH22 ARG 9 -7.771 5.517 11.925 94 H ALA 10 HN ALA 10 0.220 5.280 13.796 95 HA ALA 10 HA ALA 10 0.403 3.523 11.537 96 HB1 ALA 10 HB1 ALA 10 2.014 5.981 12.197 97 HB2 ALA 10 HB2 ALA 10 0.498 5.956 11.296 98 HB3 ALA 10 HB3 ALA 10 1.932 5.174 10.631 99 H SER 11 HN SER 11 1.700 3.167 14.490 100 HA SER 11 HA SER 11 4.433 2.843 14.189 101 HB2 SER 11 HB2 SER 11 4.272 1.273 16.123 102 HB3 SER 11 HB1 SER 11 3.405 2.788 16.375 103 HG SER 11 HG SER 11 1.587 1.737 16.458 104 H PHE 12 HN PHE 12 1.903 0.859 12.936 105 HA PHE 12 HA PHE 12 3.572 -1.480 12.624 106 HB2 PHE 12 HB2 PHE 12 1.667 -2.561 11.709 107 HB3 PHE 12 HB1 PHE 12 1.069 -1.558 13.020 108 HD1 PHE 12 HD1 PHE 12 0.551 -2.536 9.711 109 HD2 PHE 12 HD2 PHE 12 0.271 0.857 12.262 110 HE1 PHE 12 HE1 PHE 12 -1.065 -1.514 8.167 111 HE2 PHE 12 HE2 PHE 12 -1.342 1.886 10.720 112 HZ PHE 12 HZ PHE 12 -2.015 0.701 8.670 113 H PHE 13 HN PHE 13 4.002 1.270 11.257 114 HA PHE 13 HA PHE 13 3.584 1.048 8.520 115 HB2 PHE 13 HB2 PHE 13 5.250 2.820 8.259 116 HB3 PHE 13 HB1 PHE 13 4.167 3.163 9.603 117 HD1 PHE 13 HD1 PHE 13 4.977 3.213 11.867 118 HD2 PHE 13 HD2 PHE 13 7.587 2.252 8.648 119 HE1 PHE 13 HE1 PHE 13 6.915 3.545 13.345 120 HE2 PHE 13 HE2 PHE 13 9.528 2.578 10.122 121 HZ PHE 13 HZ PHE 13 9.196 3.225 12.473 122 H LYS 14 HN LYS 14 6.119 -0.304 10.481 123 HA LYS 14 HA LYS 14 7.732 -0.977 8.163 124 HB2 LYS 14 HB2 LYS 14 8.705 -0.275 10.396 125 HB3 LYS 14 HB1 LYS 14 8.180 -1.829 11.026 126 HG2 LYS 14 HG2 LYS 14 10.510 -1.928 10.456 127 HG3 LYS 14 HG1 LYS 14 9.590 -2.958 9.359 128 HD2 LYS 14 HD2 LYS 14 9.699 -1.278 7.626 129 HD3 LYS 14 HD1 LYS 14 10.491 -0.149 8.728 130 HE2 LYS 14 HE2 LYS 14 11.612 -2.796 7.811 131 HE3 LYS 14 HE1 LYS 14 12.088 -1.212 7.198 132 HZ1 LYS 14 HZ1 LYS 14 12.441 -2.212 9.975 133 HZ2 LYS 14 HZ2 LYS 14 12.801 -0.638 9.467 134 HZ3 LYS 14 HZ3 LYS 14 13.663 -1.946 8.832 135 H GLU 15 HN GLU 15 5.268 -2.352 10.094 136 HA GLU 15 HA GLU 15 5.785 -5.070 9.184 137 HB2 GLU 15 HB2 GLU 15 4.808 -4.417 11.479 138 HB3 GLU 15 HB1 GLU 15 3.311 -4.109 10.612 139 HG2 GLU 15 HG2 GLU 15 3.163 -6.293 11.504 140 HG3 GLU 15 HG1 GLU 15 3.421 -6.463 9.769 141 H ALA 16 HN ALA 16 4.182 -2.269 8.213 142 HA ALA 16 HA ALA 16 2.286 -3.606 6.476 143 HB1 ALA 16 HB1 ALA 16 1.582 -1.583 7.653 144 HB2 ALA 16 HB2 ALA 16 1.533 -1.351 5.905 145 HB3 ALA 16 HB3 ALA 16 2.857 -0.668 6.849 146 H ALA 17 HN ALA 17 5.382 -3.500 6.261 147 HA ALA 17 HA ALA 17 5.992 -2.155 3.849 148 HB1 ALA 17 HB1 ALA 17 7.407 -4.517 5.079 149 HB2 ALA 17 HB2 ALA 17 7.697 -2.828 5.493 150 HB3 ALA 17 HB3 ALA 17 8.064 -3.413 3.870 151 H ALA 18 HN ALA 18 4.317 -5.021 4.530 152 HA ALA 18 HA ALA 18 4.716 -6.466 2.144 153 HB1 ALA 18 HB1 ALA 18 2.719 -7.696 2.768 154 HB2 ALA 18 HB2 ALA 18 2.301 -6.455 3.947 155 HB3 ALA 18 HB3 ALA 18 3.743 -7.439 4.178 156 H LYS 19 HN LYS 19 3.447 -3.454 2.511 157 HA LYS 19 HA LYS 19 1.297 -3.531 0.637 158 HB2 LYS 19 HB2 LYS 19 1.731 -1.747 2.393 159 HB3 LYS 19 HB1 LYS 19 2.995 -1.135 1.340 160 HG2 LYS 19 HG2 LYS 19 1.300 -0.816 -0.435 161 HG3 LYS 19 HG1 LYS 19 0.057 -1.309 0.713 162 HD2 LYS 19 HD2 LYS 19 1.928 1.004 1.187 163 HD3 LYS 19 HD1 LYS 19 0.357 1.177 0.412 164 HE2 LYS 19 HE2 LYS 19 -0.053 1.717 2.643 165 HE3 LYS 19 HE1 LYS 19 -0.591 0.048 2.509 166 HZ1 LYS 19 HZ1 LYS 19 2.078 0.843 3.530 167 HZ2 LYS 19 HZ2 LYS 19 1.387 -0.701 3.573 168 HZ3 LYS 19 HZ3 LYS 19 0.740 0.538 4.518 169 H GLU 20 HN GLU 20 4.500 -4.105 0.235 170 HA GLU 20 HA GLU 20 5.048 -2.827 -2.234 171 HB2 GLU 20 HB2 GLU 20 6.814 -4.543 -2.478 172 HB3 GLU 20 HB1 GLU 20 6.846 -3.761 -0.903 173 HG2 GLU 20 HG2 GLU 20 5.756 -5.678 0.100 174 HG3 GLU 20 HG1 GLU 20 5.640 -6.459 -1.477 175 H ALA 21 HN ALA 21 2.833 -5.169 -1.391 176 HA ALA 21 HA ALA 21 2.690 -6.700 -3.765 177 HB1 ALA 21 HB1 ALA 21 0.475 -7.339 -2.996 178 HB2 ALA 21 HB2 ALA 21 0.496 -6.037 -1.806 179 HB3 ALA 21 HB3 ALA 21 1.628 -7.381 -1.662 180 H ALA 22 HN ALA 22 2.249 -3.455 -3.312 181 HA ALA 22 HA ALA 22 0.005 -2.782 -4.820 182 HB1 ALA 22 HB1 ALA 22 1.259 -1.164 -3.491 183 HB2 ALA 22 HB2 ALA 22 1.086 -0.617 -5.159 184 HB3 ALA 22 HB3 ALA 22 2.618 -1.290 -4.608 185 H ALA 23 HN ALA 23 3.111 -3.959 -5.816 186 HA ALA 23 HA ALA 23 3.107 -3.129 -8.494 187 HB1 ALA 23 HB1 ALA 23 4.351 -5.607 -7.318 188 HB2 ALA 23 HB2 ALA 23 5.086 -4.004 -7.346 189 HB3 ALA 23 HB3 ALA 23 4.771 -4.857 -8.857 190 H LYS 24 HN LYS 24 1.166 -5.450 -6.908 191 HA LYS 24 HA LYS 24 0.108 -6.274 -9.526 192 HB2 LYS 24 HB2 LYS 24 -0.449 -8.490 -8.504 193 HB3 LYS 24 HB1 LYS 24 1.271 -8.196 -8.709 194 HG2 LYS 24 HG2 LYS 24 1.567 -7.783 -6.393 195 HG3 LYS 24 HG1 LYS 24 -0.175 -7.744 -6.115 196 HD2 LYS 24 HD2 LYS 24 -0.357 -10.087 -6.621 197 HD3 LYS 24 HD1 LYS 24 1.341 -10.159 -7.088 198 HE2 LYS 24 HE2 LYS 24 0.354 -9.455 -4.326 199 HE3 LYS 24 HE1 LYS 24 0.882 -11.064 -4.817 200 HZ1 LYS 24 HZ1 LYS 24 3.062 -10.175 -5.300 201 HZ2 LYS 24 HZ2 LYS 24 2.641 -9.837 -3.699 202 HZ3 LYS 24 HZ3 LYS 24 2.566 -8.618 -4.867 203 H GLY 25 HN GLY 25 -0.506 -4.435 -7.013 204 HA2 GLY 25 HA2 GLY 25 -2.721 -3.494 -6.774 205 HA3 GLY 25 HA1 GLY 25 -3.369 -5.114 -6.980 206 H PHE 26 HN PHE 26 -2.273 -2.779 -4.766 207 HA PHE 26 HA PHE 26 -2.079 -4.704 -2.580 208 HB2 PHE 26 HB2 PHE 26 -1.195 -2.941 -1.238 209 HB3 PHE 26 HB1 PHE 26 -0.423 -2.801 -2.812 210 HD1 PHE 26 HD1 PHE 26 -1.385 -1.078 -4.449 211 HD2 PHE 26 HD2 PHE 26 -2.309 -1.137 -0.294 212 HE1 PHE 26 HE1 PHE 26 -2.112 1.266 -4.577 213 HE2 PHE 26 HE2 PHE 26 -3.037 1.208 -0.419 214 HZ PHE 26 HZ PHE 26 -2.940 2.412 -2.562 215 H ALA 27 HN ALA 27 -4.412 -3.049 -4.138 216 HA ALA 27 HA ALA 27 -5.951 -2.165 -1.863 217 HB1 ALA 27 HB1 ALA 27 -6.696 -2.268 -4.781 218 HB2 ALA 27 HB2 ALA 27 -6.001 -0.884 -3.939 219 HB3 ALA 27 HB3 ALA 27 -7.610 -1.465 -3.506 220 H TRP 28 HN TRP 28 -5.585 -4.685 -1.291 221 HA TRP 28 HA TRP 28 -7.769 -6.305 -2.267 222 HB2 TRP 28 HB2 TRP 28 -6.955 -8.006 -0.786 223 HB3 TRP 28 HB1 TRP 28 -5.579 -7.305 -1.615 224 HD1 TRP 28 HD1 TRP 28 -4.137 -5.453 -0.045 225 HE1 TRP 28 HE1 TRP 28 -3.601 -5.590 2.473 226 HE3 TRP 28 HE3 TRP 28 -7.717 -8.818 1.352 227 HZ2 TRP 28 HZ2 TRP 28 -4.569 -6.967 4.742 228 HZ3 TRP 28 HZ3 TRP 28 -7.842 -9.499 3.710 229 HH2 TRP 28 HH2 TRP 28 -6.300 -8.595 5.369 230 H ASN 29 HN ASN 29 -7.470 -3.807 -0.192 231 HA ASN 29 HA ASN 29 -9.553 -4.587 1.666 232 HB2 ASN 29 HB2 ASN 29 -8.223 -1.901 1.176 233 HB3 ASN 29 HB1 ASN 29 -9.465 -2.184 2.379 234 HD21 ASN 29 HD21 ASN 29 -7.036 -4.598 1.754 235 HD22 ASN 29 HD22 ASN 29 -6.159 -4.371 3.227 236 H VAL 30 HN VAL 30 -11.677 -3.978 1.512 237 HA VAL 30 HA VAL 30 -12.563 -2.997 -1.076 238 HB VAL 30 HB VAL 30 -14.269 -3.689 1.320 239 HG11 VAL 30 HG11 VAL 30 -15.399 -2.382 -0.375 240 HG12 VAL 30 HG12 VAL 30 -16.026 -4.030 -0.351 241 HG13 VAL 30 HG13 VAL 30 -14.907 -3.530 -1.619 242 HG21 VAL 30 HG21 VAL 30 -14.593 -5.901 0.282 243 HG22 VAL 30 HG22 VAL 30 -12.932 -5.630 0.807 244 HG23 VAL 30 HG23 VAL 30 -13.347 -5.504 -0.903 245 H CYS 31 HN CYS 31 -12.092 -0.863 -1.162 246 HA CYS 31 HA CYS 31 -13.038 0.822 1.042 247 HB2 CYS 31 HB2 CYS 31 -11.530 2.567 -0.019 248 HB3 CYS 31 HB1 CYS 31 -10.737 1.197 0.744 249 HG CYS 31 HG CYS 31 -11.304 1.279 -2.620 250 H VAL 32 HN VAL 32 -14.727 2.004 0.792 251 HA VAL 32 HA VAL 32 -15.366 3.144 -1.829 252 HB VAL 32 HB VAL 32 -17.852 2.727 -1.253 253 HG11 VAL 32 HG11 VAL 32 -16.751 1.794 -3.183 254 HG12 VAL 32 HG12 VAL 32 -17.827 0.594 -2.464 255 HG13 VAL 32 HG13 VAL 32 -16.084 0.484 -2.209 256 HG21 VAL 32 HG21 VAL 32 -17.554 1.834 0.982 257 HG22 VAL 32 HG22 VAL 32 -16.564 0.518 0.350 258 HG23 VAL 32 HG23 VAL 32 -18.276 0.609 -0.062 259 H TYR 33 HN TYR 33 -16.705 5.018 -1.691 260 HA TYR 33 HA TYR 33 -16.191 6.429 0.789 261 HB2 TYR 33 HB2 TYR 33 -17.290 7.351 -1.859 262 HB3 TYR 33 HB1 TYR 33 -17.198 8.397 -0.448 263 HD1 TYR 33 HD1 TYR 33 -15.226 9.542 0.050 264 HD2 TYR 33 HD2 TYR 33 -15.076 6.255 -2.647 265 HE1 TYR 33 HE1 TYR 33 -12.876 10.054 -0.438 266 HE2 TYR 33 HE2 TYR 33 -12.727 6.762 -3.142 267 HH TYR 33 HH TYR 33 -11.220 8.751 -3.056 268 H ARG 34 HN ARG 34 -17.467 5.643 2.291 269 HA ARG 34 HA ARG 34 -20.355 5.499 1.809 270 HB2 ARG 34 HB2 ARG 34 -19.250 3.443 2.647 271 HB3 ARG 34 HB1 ARG 34 -18.687 4.326 4.059 272 HG2 ARG 34 HG2 ARG 34 -20.970 4.673 4.779 273 HG3 ARG 34 HG1 ARG 34 -21.571 3.854 3.338 274 HD2 ARG 34 HD2 ARG 34 -21.652 2.273 5.098 275 HD3 ARG 34 HD1 ARG 34 -20.273 1.833 4.095 276 HE ARG 34 HE ARG 34 -19.223 3.439 6.041 277 HH11 ARG 34 HH11 ARG 34 -21.098 0.490 6.001 278 HH12 ARG 34 HH12 ARG 34 -20.453 -0.100 7.497 279 HH21 ARG 34 HH21 ARG 34 -18.367 2.674 8.027 280 HH22 ARG 34 HH22 ARG 34 -18.897 1.147 8.655 281 H ASN 35 HN ASN 35 -21.227 7.409 2.222 282 HA ASN 35 HA ASN 35 -21.852 9.314 3.274 283 HB2 ASN 35 HB2 ASN 35 -22.076 7.784 5.269 284 HB3 ASN 35 HB1 ASN 35 -20.444 8.243 5.735 285 HD21 ASN 35 HD21 ASN 35 -20.087 10.213 6.661 286 HD22 ASN 35 HD22 ASN 35 -21.362 11.277 7.150 287 H GLY 36 HN GLY 36 -19.499 9.197 1.726 288 HA2 GLY 36 HA2 GLY 36 -18.163 10.991 1.069 289 HA3 GLY 36 HA1 GLY 36 -18.392 11.712 2.653 290 H VAL 37 HN VAL 37 -17.562 8.986 3.813 291 HA VAL 37 HA VAL 37 -14.680 9.531 3.597 292 HB VAL 37 HB VAL 37 -15.573 9.732 5.860 293 HG11 VAL 37 HG11 VAL 37 -16.386 6.851 5.548 294 HG12 VAL 37 HG12 VAL 37 -17.459 8.239 5.748 295 HG13 VAL 37 HG13 VAL 37 -16.394 7.748 7.067 296 HG21 VAL 37 HG21 VAL 37 -14.029 8.205 7.012 297 HG22 VAL 37 HG22 VAL 37 -13.283 8.998 5.626 298 HG23 VAL 37 HG23 VAL 37 -13.806 7.319 5.502 299 H ARG 38 HN ARG 38 -13.248 7.951 3.162 300 HA ARG 38 HA ARG 38 -14.311 5.811 1.555 301 HB2 ARG 38 HB2 ARG 38 -12.379 7.152 0.823 302 HB3 ARG 38 HB1 ARG 38 -11.457 6.550 2.191 303 HG2 ARG 38 HG2 ARG 38 -11.598 4.287 1.314 304 HG3 ARG 38 HG1 ARG 38 -12.575 4.863 -0.038 305 HD2 ARG 38 HD2 ARG 38 -10.314 4.607 -0.789 306 HD3 ARG 38 HD1 ARG 38 -10.687 6.325 -0.708 307 HE ARG 38 HE ARG 38 -9.550 6.010 1.648 308 HH11 ARG 38 HH11 ARG 38 -8.572 4.688 -1.446 309 HH12 ARG 38 HH12 ARG 38 -6.884 4.675 -1.046 310 HH21 ARG 38 HH21 ARG 38 -7.338 5.981 2.179 311 HH22 ARG 38 HH22 ARG 38 -6.181 5.399 1.023 312 H VAL 39 HN VAL 39 -15.197 4.290 2.790 313 HA VAL 39 HA VAL 39 -13.871 3.290 5.157 314 HB VAL 39 HB VAL 39 -16.330 3.666 5.071 315 HG11 VAL 39 HG11 VAL 39 -16.317 1.289 3.244 316 HG12 VAL 39 HG12 VAL 39 -16.739 2.942 2.807 317 HG13 VAL 39 HG13 VAL 39 -17.751 2.045 3.941 318 HG21 VAL 39 HG21 VAL 39 -15.369 2.175 6.742 319 HG22 VAL 39 HG22 VAL 39 -15.519 0.819 5.624 320 HG23 VAL 39 HG23 VAL 39 -16.966 1.629 6.230 321 H CYS 40 HN CYS 40 -12.747 1.426 5.296 322 HA CYS 40 HA CYS 40 -12.673 -0.278 2.906 323 HB2 CYS 40 HB2 CYS 40 -10.230 -0.593 3.353 324 HB3 CYS 40 HB1 CYS 40 -10.664 1.038 2.863 325 HG CYS 40 HG CYS 40 -10.739 0.769 6.153 326 H HIS 41 HN HIS 41 -12.705 -2.426 3.241 327 HA HIS 41 HA HIS 41 -12.078 -3.456 5.896 328 HB2 HIS 41 HB2 HIS 41 -14.056 -5.019 5.746 329 HB3 HIS 41 HB1 HIS 41 -14.428 -3.347 6.108 330 HD1 HIS 41 HD1 HIS 41 -15.317 -6.076 3.903 331 HD2 HIS 41 HD2 HIS 41 -15.477 -1.925 3.732 332 HE1 HIS 41 HE1 HIS 41 -16.944 -5.540 2.068 333 HE2 HIS 41 HE2 HIS 41 -17.156 -3.027 2.103 334 H ARG 42 HN ARG 42 -11.577 -5.669 5.934 335 HA ARG 42 HA ARG 42 -10.016 -6.415 3.659 336 HB2 ARG 42 HB2 ARG 42 -9.387 -8.379 5.013 337 HB3 ARG 42 HB1 ARG 42 -9.206 -6.872 5.898 338 HG2 ARG 42 HG2 ARG 42 -11.385 -7.320 7.000 339 HG3 ARG 42 HG1 ARG 42 -11.420 -8.889 6.191 340 HD2 ARG 42 HD2 ARG 42 -9.344 -9.520 7.291 341 HD3 ARG 42 HD1 ARG 42 -9.258 -7.940 8.065 342 HE ARG 42 HE ARG 42 -11.636 -9.536 8.595 343 HH11 ARG 42 HH11 ARG 42 -8.493 -8.444 9.683 344 HH12 ARG 42 HH12 ARG 42 -8.794 -8.826 11.347 345 HH21 ARG 42 HH21 ARG 42 -12.038 -10.039 10.790 346 HH22 ARG 42 HH22 ARG 42 -10.808 -9.738 11.977 347 H ARG 43 HN ARG 43 -10.284 -8.074 2.233 348 HA ARG 43 HA ARG 43 -12.958 -8.925 1.692 349 HB2 ARG 43 HB2 ARG 43 -10.300 -9.604 0.425 350 HB3 ARG 43 HB1 ARG 43 -11.838 -10.221 -0.160 351 HG2 ARG 43 HG2 ARG 43 -12.587 -7.965 -0.644 352 HG3 ARG 43 HG1 ARG 43 -11.081 -7.312 0.008 353 HD2 ARG 43 HD2 ARG 43 -11.061 -7.420 -2.449 354 HD3 ARG 43 HD1 ARG 43 -9.811 -8.431 -1.727 355 HE ARG 43 HE ARG 43 -11.916 -10.125 -2.078 356 HH11 ARG 43 HH11 ARG 43 -10.100 -8.002 -4.184 357 HH12 ARG 43 HH12 ARG 43 -10.360 -8.970 -5.595 358 HH21 ARG 43 HH21 ARG 43 -12.241 -11.421 -3.923 359 HH22 ARG 43 HH22 ARG 43 -11.574 -10.925 -5.446 360 H ALA 44 HN ALA 44 -13.405 -11.239 1.235 361 HA ALA 44 HA ALA 44 -12.691 -12.873 3.495 362 HB1 ALA 44 HB1 ALA 44 -14.228 -14.511 2.518 363 HB2 ALA 44 HB2 ALA 44 -14.359 -13.525 1.063 364 HB3 ALA 44 HB3 ALA 44 -14.965 -12.912 2.601 365 H ASN 45 HN ASN 45 -10.436 -13.045 3.156 366 HA ASN 45 HA ASN 45 -9.319 -14.177 0.783 367 HB2 ASN 45 HB2 ASN 45 -8.161 -13.708 3.539 368 HB3 ASN 45 HB1 ASN 45 -7.228 -14.337 2.188 369 HD21 ASN 45 HD21 ASN 45 -5.833 -12.583 2.293 370 HD22 ASN 45 HD22 ASN 45 -6.287 -11.015 1.722 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 24.708 -12.890 -8.876 2 H2 ARG 1 HT2 ARG 1 23.185 -12.866 -9.609 3 H3 ARG 1 HT3 ARG 1 23.574 -14.090 -8.514 4 HA ARG 1 HA ARG 1 23.695 -12.527 -6.717 5 HB2 ARG 1 HB2 ARG 1 22.942 -10.518 -8.849 6 HB3 ARG 1 HB1 ARG 1 22.924 -10.187 -7.124 7 HG2 ARG 1 HG2 ARG 1 25.317 -10.566 -7.003 8 HG3 ARG 1 HG1 ARG 1 25.354 -10.956 -8.722 9 HD2 ARG 1 HD2 ARG 1 24.521 -8.694 -9.226 10 HD3 ARG 1 HD1 ARG 1 24.570 -8.314 -7.504 11 HE ARG 1 HE ARG 1 27.094 -9.100 -7.990 12 HH11 ARG 1 HH11 ARG 1 24.995 -6.827 -9.627 13 HH12 ARG 1 HH12 ARG 1 26.295 -5.803 -10.147 14 HH21 ARG 1 HH21 ARG 1 28.810 -7.759 -8.685 15 HH22 ARG 1 HH22 ARG 1 28.463 -6.339 -9.615 16 H VAL 2 HN VAL 2 22.035 -14.380 -6.785 17 HA VAL 2 HA VAL 2 19.344 -13.336 -7.320 18 HB VAL 2 HB VAL 2 18.624 -15.754 -7.100 19 HG11 VAL 2 HG11 VAL 2 18.835 -14.685 -9.256 20 HG12 VAL 2 HG12 VAL 2 19.432 -16.341 -9.358 21 HG13 VAL 2 HG13 VAL 2 20.570 -14.997 -9.274 22 HG21 VAL 2 HG21 VAL 2 21.601 -16.237 -7.272 23 HG22 VAL 2 HG22 VAL 2 20.346 -17.470 -7.412 24 HG23 VAL 2 HG23 VAL 2 20.571 -16.608 -5.890 25 H GLN 3 HN GLN 3 18.787 -12.214 -5.530 26 HA GLN 3 HA GLN 3 19.146 -13.473 -2.908 27 HB2 GLN 3 HB2 GLN 3 18.280 -10.655 -3.580 28 HB3 GLN 3 HB1 GLN 3 18.611 -11.275 -1.970 29 HG2 GLN 3 HG2 GLN 3 20.952 -11.710 -2.694 30 HG3 GLN 3 HG1 GLN 3 20.578 -10.898 -4.212 31 HE21 GLN 3 HE21 GLN 3 18.796 -8.981 -2.795 32 HE22 GLN 3 HE22 GLN 3 19.862 -7.862 -2.022 33 H GLY 4 HN GLY 4 17.159 -12.402 -1.425 34 HA2 GLY 4 HA2 GLY 4 15.000 -14.093 -1.840 35 HA3 GLY 4 HA1 GLY 4 14.961 -12.660 -0.828 36 H ARG 5 HN ARG 5 15.445 -10.775 -2.929 37 HA ARG 5 HA ARG 5 12.775 -10.423 -3.805 38 HB2 ARG 5 HB2 ARG 5 13.705 -8.436 -5.038 39 HB3 ARG 5 HB1 ARG 5 13.985 -8.458 -3.306 40 HG2 ARG 5 HG2 ARG 5 16.003 -7.737 -4.164 41 HG3 ARG 5 HG1 ARG 5 16.279 -9.456 -3.901 42 HD2 ARG 5 HD2 ARG 5 17.191 -8.823 -6.028 43 HD3 ARG 5 HD1 ARG 5 15.792 -9.862 -6.286 44 HE ARG 5 HE ARG 5 14.711 -7.409 -6.455 45 HH11 ARG 5 HH11 ARG 5 17.526 -8.851 -7.955 46 HH12 ARG 5 HH12 ARG 5 17.443 -7.849 -9.369 47 HH21 ARG 5 HH21 ARG 5 14.594 -6.090 -8.324 48 HH22 ARG 5 HH22 ARG 5 15.766 -6.291 -9.586 49 H TRP 6 HN TRP 6 15.116 -12.404 -5.043 50 HA TRP 6 HA TRP 6 14.150 -12.165 -7.795 51 HB2 TRP 6 HB2 TRP 6 16.555 -12.422 -7.555 52 HB3 TRP 6 HB1 TRP 6 16.337 -13.881 -6.597 53 HD1 TRP 6 HD1 TRP 6 15.881 -12.617 -10.214 54 HE1 TRP 6 HE1 TRP 6 16.004 -14.637 -11.800 55 HE3 TRP 6 HE3 TRP 6 16.133 -16.353 -6.738 56 HZ2 TRP 6 HZ2 TRP 6 16.189 -17.442 -11.600 57 HZ3 TRP 6 HZ3 TRP 6 16.286 -18.678 -7.522 58 HH2 TRP 6 HH2 TRP 6 16.312 -19.211 -9.904 59 H LYS 7 HN LYS 7 14.471 -14.601 -5.226 60 HA LYS 7 HA LYS 7 12.981 -16.569 -6.632 61 HB2 LYS 7 HB2 LYS 7 13.002 -17.791 -4.475 62 HB3 LYS 7 HB1 LYS 7 14.595 -17.251 -4.982 63 HG2 LYS 7 HG2 LYS 7 14.335 -15.301 -3.442 64 HG3 LYS 7 HG1 LYS 7 12.853 -16.048 -2.844 65 HD2 LYS 7 HD2 LYS 7 15.607 -17.283 -2.769 66 HD3 LYS 7 HD1 LYS 7 14.770 -16.551 -1.400 67 HE2 LYS 7 HE2 LYS 7 13.819 -18.952 -2.959 68 HE3 LYS 7 HE1 LYS 7 14.608 -19.002 -1.385 69 HZ1 LYS 7 HZ1 LYS 7 12.764 -17.735 -0.467 70 HZ2 LYS 7 HZ2 LYS 7 12.218 -19.171 -1.171 71 HZ3 LYS 7 HZ3 LYS 7 12.003 -17.702 -1.978 72 H VAL 8 HN VAL 8 12.124 -13.961 -4.514 73 HA VAL 8 HA VAL 8 9.562 -14.807 -3.722 74 HB VAL 8 HB VAL 8 10.862 -12.829 -2.822 75 HG11 VAL 8 HG11 VAL 8 9.710 -11.453 -5.241 76 HG12 VAL 8 HG12 VAL 8 11.418 -11.759 -4.925 77 HG13 VAL 8 HG13 VAL 8 10.512 -10.656 -3.887 78 HG21 VAL 8 HG21 VAL 8 7.974 -12.378 -3.557 79 HG22 VAL 8 HG22 VAL 8 8.859 -11.517 -2.298 80 HG23 VAL 8 HG23 VAL 8 8.573 -13.249 -2.147 81 H ARG 9 HN ARG 9 10.757 -13.785 -6.761 82 HA ARG 9 HA ARG 9 8.309 -12.786 -7.846 83 HB2 ARG 9 HB2 ARG 9 10.835 -13.740 -9.203 84 HB3 ARG 9 HB1 ARG 9 9.516 -12.900 -10.007 85 HG2 ARG 9 HG2 ARG 9 9.931 -10.906 -8.801 86 HG3 ARG 9 HG1 ARG 9 11.040 -11.725 -7.698 87 HD2 ARG 9 HD2 ARG 9 12.267 -10.402 -9.327 88 HD3 ARG 9 HD1 ARG 9 12.585 -12.121 -9.555 89 HE ARG 9 HE ARG 9 10.470 -11.064 -11.209 90 HH11 ARG 9 HH11 ARG 9 13.901 -11.669 -10.935 91 HH12 ARG 9 HH12 ARG 9 14.171 -11.656 -12.648 92 HH21 ARG 9 HH21 ARG 9 10.814 -11.030 -13.463 93 HH22 ARG 9 HH22 ARG 9 12.414 -11.276 -14.088 94 H ALA 10 HN ALA 10 9.529 -15.900 -7.235 95 HA ALA 10 HA ALA 10 7.781 -17.143 -9.226 96 HB1 ALA 10 HB1 ALA 10 8.873 -19.237 -8.620 97 HB2 ALA 10 HB2 ALA 10 9.770 -18.411 -7.347 98 HB3 ALA 10 HB3 ALA 10 10.064 -18.006 -9.036 99 H SER 11 HN SER 11 8.400 -17.220 -5.732 100 HA SER 11 HA SER 11 6.188 -18.828 -5.047 101 HB2 SER 11 HB2 SER 11 8.102 -18.443 -3.542 102 HB3 SER 11 HB1 SER 11 7.645 -16.750 -3.387 103 HG SER 11 HG SER 11 6.250 -19.041 -2.471 104 H PHE 12 HN PHE 12 6.608 -15.364 -5.408 105 HA PHE 12 HA PHE 12 3.776 -14.941 -4.787 106 HB2 PHE 12 HB2 PHE 12 6.165 -13.133 -4.679 107 HB3 PHE 12 HB1 PHE 12 4.542 -12.462 -4.785 108 HD1 PHE 12 HD1 PHE 12 3.141 -12.369 -2.901 109 HD2 PHE 12 HD2 PHE 12 6.765 -14.588 -2.732 110 HE1 PHE 12 HE1 PHE 12 2.879 -12.602 -0.468 111 HE2 PHE 12 HE2 PHE 12 6.512 -14.821 -0.296 112 HZ PHE 12 HZ PHE 12 4.566 -13.829 0.837 113 H PHE 13 HN PHE 13 4.981 -15.937 -7.353 114 HA PHE 13 HA PHE 13 5.001 -14.094 -9.387 115 HB2 PHE 13 HB2 PHE 13 5.552 -16.491 -9.634 116 HB3 PHE 13 HB1 PHE 13 3.840 -16.877 -9.520 117 HD1 PHE 13 HD1 PHE 13 6.350 -15.102 -11.577 118 HD2 PHE 13 HD2 PHE 13 2.463 -16.820 -11.411 119 HE1 PHE 13 HE1 PHE 13 6.143 -14.861 -14.019 120 HE2 PHE 13 HE2 PHE 13 2.247 -16.585 -13.848 121 HZ PHE 13 HZ PHE 13 4.091 -15.604 -15.156 122 H LYS 14 HN LYS 14 2.234 -15.479 -7.787 123 HA LYS 14 HA LYS 14 0.207 -14.565 -9.494 124 HB2 LYS 14 HB2 LYS 14 -1.336 -14.972 -7.724 125 HB3 LYS 14 HB1 LYS 14 -0.088 -16.198 -7.590 126 HG2 LYS 14 HG2 LYS 14 -0.027 -13.685 -5.946 127 HG3 LYS 14 HG1 LYS 14 -0.916 -15.117 -5.438 128 HD2 LYS 14 HD2 LYS 14 1.990 -15.249 -6.175 129 HD3 LYS 14 HD1 LYS 14 1.469 -14.801 -4.554 130 HE2 LYS 14 HE2 LYS 14 0.605 -17.337 -5.928 131 HE3 LYS 14 HE1 LYS 14 2.026 -17.235 -4.891 132 HZ1 LYS 14 HZ1 LYS 14 -0.769 -16.655 -4.073 133 HZ2 LYS 14 HZ2 LYS 14 0.589 -16.515 -3.077 134 HZ3 LYS 14 HZ3 LYS 14 0.125 -18.029 -3.661 135 H GLU 15 HN GLU 15 1.979 -12.991 -6.928 136 HA GLU 15 HA GLU 15 0.328 -10.602 -7.010 137 HB2 GLU 15 HB2 GLU 15 1.215 -11.445 -4.869 138 HB3 GLU 15 HB1 GLU 15 2.851 -11.224 -5.462 139 HG2 GLU 15 HG2 GLU 15 2.478 -8.816 -5.609 140 HG3 GLU 15 HG1 GLU 15 0.835 -9.038 -5.013 141 H ALA 16 HN ALA 16 3.379 -11.792 -8.165 142 HA ALA 16 HA ALA 16 4.506 -9.336 -8.977 143 HB1 ALA 16 HB1 ALA 16 6.030 -10.673 -10.305 144 HB2 ALA 16 HB2 ALA 16 4.981 -12.080 -10.134 145 HB3 ALA 16 HB3 ALA 16 5.801 -11.417 -8.721 146 H ALA 17 HN ALA 17 1.908 -11.169 -10.189 147 HA ALA 17 HA ALA 17 2.004 -10.065 -12.856 148 HB1 ALA 17 HB1 ALA 17 -0.152 -11.175 -13.163 149 HB2 ALA 17 HB2 ALA 17 -0.203 -11.560 -11.442 150 HB3 ALA 17 HB3 ALA 17 1.035 -12.279 -12.470 151 H ALA 18 HN ALA 18 0.950 -9.077 -9.786 152 HA ALA 18 HA ALA 18 -0.844 -7.052 -10.936 153 HB1 ALA 18 HB1 ALA 18 -1.878 -6.889 -8.744 154 HB2 ALA 18 HB2 ALA 18 -0.727 -8.057 -8.096 155 HB3 ALA 18 HB3 ALA 18 -1.902 -8.558 -9.312 156 H LYS 19 HN LYS 19 2.254 -7.279 -10.199 157 HA LYS 19 HA LYS 19 2.694 -5.288 -8.249 158 HB2 LYS 19 HB2 LYS 19 5.033 -5.308 -8.988 159 HB3 LYS 19 HB1 LYS 19 4.407 -6.932 -8.765 160 HG2 LYS 19 HG2 LYS 19 5.445 -7.275 -10.730 161 HG3 LYS 19 HG1 LYS 19 3.929 -6.654 -11.377 162 HD2 LYS 19 HD2 LYS 19 5.723 -5.546 -12.505 163 HD3 LYS 19 HD1 LYS 19 4.965 -4.381 -11.418 164 HE2 LYS 19 HE2 LYS 19 6.738 -4.642 -9.817 165 HE3 LYS 19 HE1 LYS 19 7.441 -5.963 -10.743 166 HZ1 LYS 19 HZ1 LYS 19 7.262 -3.125 -11.595 167 HZ2 LYS 19 HZ2 LYS 19 7.872 -4.379 -12.548 168 HZ3 LYS 19 HZ3 LYS 19 8.662 -3.943 -11.120 169 H GLU 20 HN GLU 20 2.034 -5.120 -11.631 170 HA GLU 20 HA GLU 20 3.031 -2.546 -12.161 171 HB2 GLU 20 HB2 GLU 20 1.470 -2.567 -14.080 172 HB3 GLU 20 HB1 GLU 20 2.424 -4.038 -13.961 173 HG2 GLU 20 HG2 GLU 20 0.444 -5.087 -12.806 174 HG3 GLU 20 HG1 GLU 20 -0.474 -3.655 -13.268 175 H ALA 21 HN ALA 21 0.074 -3.675 -10.688 176 HA ALA 21 HA ALA 21 -1.046 -0.991 -10.574 177 HB1 ALA 21 HB1 ALA 21 -2.978 -2.055 -9.537 178 HB2 ALA 21 HB2 ALA 21 -2.112 -3.591 -9.474 179 HB3 ALA 21 HB3 ALA 21 -2.537 -2.881 -11.032 180 H ALA 22 HN ALA 22 0.425 -3.403 -8.489 181 HA ALA 22 HA ALA 22 -0.099 -2.201 -6.007 182 HB1 ALA 22 HB1 ALA 22 0.691 -4.519 -6.299 183 HB2 ALA 22 HB2 ALA 22 1.647 -3.616 -5.124 184 HB3 ALA 22 HB3 ALA 22 2.280 -3.898 -6.746 185 H ALA 23 HN ALA 23 2.266 -1.491 -8.446 186 HA ALA 23 HA ALA 23 4.116 -0.031 -6.941 187 HB1 ALA 23 HB1 ALA 23 3.324 0.397 -9.812 188 HB2 ALA 23 HB2 ALA 23 4.502 -0.783 -9.242 189 HB3 ALA 23 HB3 ALA 23 4.816 0.940 -9.047 190 H LYS 24 HN LYS 24 0.960 0.808 -8.136 191 HA LYS 24 HA LYS 24 1.361 3.559 -7.173 192 HB2 LYS 24 HB2 LYS 24 -0.501 4.166 -8.773 193 HB3 LYS 24 HB1 LYS 24 1.021 3.696 -9.516 194 HG2 LYS 24 HG2 LYS 24 0.097 1.435 -9.890 195 HG3 LYS 24 HG1 LYS 24 -1.444 1.990 -9.235 196 HD2 LYS 24 HD2 LYS 24 -1.432 2.023 -11.689 197 HD3 LYS 24 HD1 LYS 24 -1.627 3.642 -11.016 198 HE2 LYS 24 HE2 LYS 24 0.657 4.183 -11.469 199 HE3 LYS 24 HE1 LYS 24 1.021 2.515 -11.907 200 HZ1 LYS 24 HZ1 LYS 24 -0.348 2.715 -13.843 201 HZ2 LYS 24 HZ2 LYS 24 0.750 4.000 -13.834 202 HZ3 LYS 24 HZ3 LYS 24 -0.860 4.262 -13.394 203 H GLY 25 HN GLY 25 0.250 0.869 -6.053 204 HA2 GLY 25 HA2 GLY 25 -1.121 0.641 -4.157 205 HA3 GLY 25 HA1 GLY 25 -1.922 2.148 -4.581 206 H PHE 26 HN PHE 26 -1.908 -1.269 -4.904 207 HA PHE 26 HA PHE 26 -3.946 -1.374 -6.928 208 HB2 PHE 26 HB2 PHE 26 -2.381 -3.207 -6.804 209 HB3 PHE 26 HB1 PHE 26 -2.770 -3.479 -5.110 210 HD1 PHE 26 HD1 PHE 26 -4.310 -3.516 -8.495 211 HD2 PHE 26 HD2 PHE 26 -4.356 -5.050 -4.527 212 HE1 PHE 26 HE1 PHE 26 -6.026 -5.154 -9.150 213 HE2 PHE 26 HE2 PHE 26 -6.073 -6.687 -5.175 214 HZ PHE 26 HZ PHE 26 -6.907 -6.739 -7.487 215 H ALA 27 HN ALA 27 -3.772 -1.438 -3.468 216 HA ALA 27 HA ALA 27 -5.326 -1.427 -1.808 217 HB1 ALA 27 HB1 ALA 27 -5.912 0.692 -2.897 218 HB2 ALA 27 HB2 ALA 27 -7.322 -0.089 -2.181 219 HB3 ALA 27 HB3 ALA 27 -7.065 -0.161 -3.924 220 H TRP 28 HN TRP 28 -5.297 -3.806 -2.017 221 HA TRP 28 HA TRP 28 -7.438 -5.099 -3.391 222 HB2 TRP 28 HB2 TRP 28 -6.711 -7.111 -2.043 223 HB3 TRP 28 HB1 TRP 28 -5.492 -6.415 -3.106 224 HD1 TRP 28 HD1 TRP 28 -3.544 -4.908 -1.845 225 HE1 TRP 28 HE1 TRP 28 -2.513 -5.197 0.495 226 HE3 TRP 28 HE3 TRP 28 -7.155 -7.843 0.266 227 HZ2 TRP 28 HZ2 TRP 28 -3.151 -6.507 2.915 228 HZ3 TRP 28 HZ3 TRP 28 -6.868 -8.577 2.595 229 HH2 TRP 28 HH2 TRP 28 -4.906 -7.924 3.893 230 H ASN 29 HN ASN 29 -7.075 -3.665 -0.269 231 HA ASN 29 HA ASN 29 -9.154 -5.007 1.063 232 HB2 ASN 29 HB2 ASN 29 -8.095 -2.193 1.421 233 HB3 ASN 29 HB1 ASN 29 -9.322 -2.910 2.457 234 HD21 ASN 29 HD21 ASN 29 -5.977 -2.861 1.606 235 HD22 ASN 29 HD22 ASN 29 -5.424 -3.866 2.900 236 H VAL 30 HN VAL 30 -11.312 -4.372 1.374 237 HA VAL 30 HA VAL 30 -12.429 -3.382 -1.111 238 HB VAL 30 HB VAL 30 -14.095 -4.282 1.207 239 HG11 VAL 30 HG11 VAL 30 -15.199 -3.411 -0.770 240 HG12 VAL 30 HG12 VAL 30 -15.544 -5.128 -0.567 241 HG13 VAL 30 HG13 VAL 30 -14.372 -4.601 -1.775 242 HG21 VAL 30 HG21 VAL 30 -12.373 -5.979 1.096 243 HG22 VAL 30 HG22 VAL 30 -12.598 -6.142 -0.645 244 HG23 VAL 30 HG23 VAL 30 -13.886 -6.623 0.462 245 H CYS 31 HN CYS 31 -12.308 -1.228 -1.128 246 HA CYS 31 HA CYS 31 -13.356 0.237 1.191 247 HB2 CYS 31 HB2 CYS 31 -11.811 2.093 0.427 248 HB3 CYS 31 HB1 CYS 31 -11.030 0.666 1.094 249 HG CYS 31 HG CYS 31 -11.405 0.991 -2.275 250 H VAL 32 HN VAL 32 -14.927 1.632 0.897 251 HA VAL 32 HA VAL 32 -15.505 2.630 -1.807 252 HB VAL 32 HB VAL 32 -17.933 2.384 -1.406 253 HG11 VAL 32 HG11 VAL 32 -18.086 -0.026 -1.787 254 HG12 VAL 32 HG12 VAL 32 -16.416 -0.215 -1.251 255 HG13 VAL 32 HG13 VAL 32 -16.773 0.695 -2.718 256 HG21 VAL 32 HG21 VAL 32 -17.927 2.344 1.025 257 HG22 VAL 32 HG22 VAL 32 -17.100 0.786 1.012 258 HG23 VAL 32 HG23 VAL 32 -18.742 0.918 0.384 259 H TYR 33 HN TYR 33 -17.249 4.472 -1.541 260 HA TYR 33 HA TYR 33 -16.176 6.156 0.591 261 HB2 TYR 33 HB2 TYR 33 -17.667 6.870 -1.937 262 HB3 TYR 33 HB1 TYR 33 -17.199 8.043 -0.706 263 HD1 TYR 33 HD1 TYR 33 -16.184 6.455 -3.695 264 HD2 TYR 33 HD2 TYR 33 -14.666 8.013 -0.037 265 HE1 TYR 33 HE1 TYR 33 -13.949 6.627 -4.698 266 HE2 TYR 33 HE2 TYR 33 -12.431 8.189 -1.031 267 HH TYR 33 HH TYR 33 -11.863 7.934 -4.342 268 H ARG 34 HN ARG 34 -17.239 5.710 2.353 269 HA ARG 34 HA ARG 34 -20.141 5.453 2.366 270 HB2 ARG 34 HB2 ARG 34 -18.745 3.826 3.584 271 HB3 ARG 34 HB1 ARG 34 -18.079 5.126 4.557 272 HG2 ARG 34 HG2 ARG 34 -20.346 5.554 5.436 273 HG3 ARG 34 HG1 ARG 34 -20.917 4.150 4.540 274 HD2 ARG 34 HD2 ARG 34 -19.477 2.696 5.792 275 HD3 ARG 34 HD1 ARG 34 -18.723 4.070 6.599 276 HE ARG 34 HE ARG 34 -21.370 4.302 7.208 277 HH11 ARG 34 HH11 ARG 34 -19.007 1.747 7.564 278 HH12 ARG 34 HH12 ARG 34 -19.712 1.128 9.024 279 HH21 ARG 34 HH21 ARG 34 -22.320 3.467 9.109 280 HH22 ARG 34 HH22 ARG 34 -21.610 2.086 9.884 281 H ASN 35 HN ASN 35 -21.195 7.306 2.411 282 HA ASN 35 HA ASN 35 -21.727 9.478 2.700 283 HB2 ASN 35 HB2 ASN 35 -21.886 10.253 5.035 284 HB3 ASN 35 HB1 ASN 35 -22.535 8.638 4.814 285 HD21 ASN 35 HD21 ASN 35 -19.946 10.527 6.188 286 HD22 ASN 35 HD22 ASN 35 -19.365 9.303 7.263 287 H GLY 36 HN GLY 36 -19.219 9.246 1.600 288 HA2 GLY 36 HA2 GLY 36 -17.851 11.043 0.906 289 HA3 GLY 36 HA1 GLY 36 -18.129 11.827 2.452 290 H VAL 37 HN VAL 37 -17.514 9.053 3.683 291 HA VAL 37 HA VAL 37 -14.622 9.563 3.819 292 HB VAL 37 HB VAL 37 -16.293 7.901 5.696 293 HG11 VAL 37 HG11 VAL 37 -14.409 8.145 7.229 294 HG12 VAL 37 HG12 VAL 37 -13.531 9.059 6.002 295 HG13 VAL 37 HG13 VAL 37 -13.921 7.361 5.726 296 HG21 VAL 37 HG21 VAL 37 -15.438 10.776 5.994 297 HG22 VAL 37 HG22 VAL 37 -16.238 9.808 7.233 298 HG23 VAL 37 HG23 VAL 37 -17.086 10.202 5.737 299 H ARG 38 HN ARG 38 -13.192 8.105 3.193 300 HA ARG 38 HA ARG 38 -14.072 5.882 1.633 301 HB2 ARG 38 HB2 ARG 38 -12.120 7.217 1.001 302 HB3 ARG 38 HB1 ARG 38 -11.300 6.741 2.478 303 HG2 ARG 38 HG2 ARG 38 -11.062 4.509 1.736 304 HG3 ARG 38 HG1 ARG 38 -12.184 4.762 0.397 305 HD2 ARG 38 HD2 ARG 38 -10.631 6.263 -0.676 306 HD3 ARG 38 HD1 ARG 38 -9.536 6.170 0.700 307 HE ARG 38 HE ARG 38 -9.364 3.721 0.102 308 HH11 ARG 38 HH11 ARG 38 -10.090 6.161 -2.323 309 HH12 ARG 38 HH12 ARG 38 -9.341 5.277 -3.613 310 HH21 ARG 38 HH21 ARG 38 -8.388 2.566 -1.597 311 HH22 ARG 38 HH22 ARG 38 -8.379 3.230 -3.198 312 H VAL 39 HN VAL 39 -14.830 4.140 2.582 313 HA VAL 39 HA VAL 39 -13.706 3.284 5.156 314 HB VAL 39 HB VAL 39 -16.121 3.920 5.068 315 HG11 VAL 39 HG11 VAL 39 -16.344 1.461 3.376 316 HG12 VAL 39 HG12 VAL 39 -16.695 3.119 2.892 317 HG13 VAL 39 HG13 VAL 39 -17.701 2.322 4.102 318 HG21 VAL 39 HG21 VAL 39 -15.545 1.064 5.818 319 HG22 VAL 39 HG22 VAL 39 -16.938 2.009 6.350 320 HG23 VAL 39 HG23 VAL 39 -15.310 2.482 6.839 321 H CYS 40 HN CYS 40 -12.890 1.241 5.394 322 HA CYS 40 HA CYS 40 -13.061 -0.507 3.040 323 HB2 CYS 40 HB2 CYS 40 -10.723 -1.215 3.481 324 HB3 CYS 40 HB1 CYS 40 -10.850 0.482 3.037 325 HG CYS 40 HG CYS 40 -10.577 1.404 5.677 326 H HIS 41 HN HIS 41 -13.439 -2.614 3.405 327 HA HIS 41 HA HIS 41 -13.213 -3.552 6.182 328 HB2 HIS 41 HB2 HIS 41 -14.972 -5.272 5.612 329 HB3 HIS 41 HB1 HIS 41 -15.546 -3.621 5.761 330 HD1 HIS 41 HD1 HIS 41 -15.636 -6.518 3.578 331 HD2 HIS 41 HD2 HIS 41 -16.050 -2.404 3.121 332 HE1 HIS 41 HE1 HIS 41 -16.849 -6.193 1.404 333 HE2 HIS 41 HE2 HIS 41 -17.241 -3.714 1.241 334 H ARG 42 HN ARG 42 -12.871 -5.931 6.322 335 HA ARG 42 HA ARG 42 -10.448 -6.493 5.011 336 HB2 ARG 42 HB2 ARG 42 -12.283 -8.276 6.613 337 HB3 ARG 42 HB1 ARG 42 -10.669 -8.737 6.091 338 HG2 ARG 42 HG2 ARG 42 -9.680 -6.999 7.419 339 HG3 ARG 42 HG1 ARG 42 -11.270 -6.362 7.839 340 HD2 ARG 42 HD2 ARG 42 -10.261 -9.110 8.558 341 HD3 ARG 42 HD1 ARG 42 -10.255 -7.720 9.640 342 HE ARG 42 HE ARG 42 -12.858 -8.144 8.637 343 HH11 ARG 42 HH11 ARG 42 -10.544 -9.489 10.891 344 HH12 ARG 42 HH12 ARG 42 -11.753 -10.217 11.897 345 HH21 ARG 42 HH21 ARG 42 -14.457 -9.092 9.968 346 HH22 ARG 42 HH22 ARG 42 -13.981 -9.991 11.372 347 H ARG 43 HN ARG 43 -9.980 -7.541 3.193 348 HA ARG 43 HA ARG 43 -12.111 -8.157 1.377 349 HB2 ARG 43 HB2 ARG 43 -9.775 -7.159 0.837 350 HB3 ARG 43 HB1 ARG 43 -9.217 -8.825 0.909 351 HG2 ARG 43 HG2 ARG 43 -11.231 -9.205 -0.756 352 HG3 ARG 43 HG1 ARG 43 -10.961 -7.492 -1.081 353 HD2 ARG 43 HD2 ARG 43 -8.598 -7.973 -1.537 354 HD3 ARG 43 HD1 ARG 43 -8.929 -9.684 -1.292 355 HE ARG 43 HE ARG 43 -10.713 -8.788 -3.216 356 HH11 ARG 43 HH11 ARG 43 -7.247 -9.134 -2.877 357 HH12 ARG 43 HH12 ARG 43 -6.975 -9.348 -4.577 358 HH21 ARG 43 HH21 ARG 43 -10.364 -9.060 -5.450 359 HH22 ARG 43 HH22 ARG 43 -8.751 -9.298 -6.042 360 H ALA 44 HN ALA 44 -12.878 -10.098 0.818 361 HA ALA 44 HA ALA 44 -12.214 -12.396 2.384 362 HB1 ALA 44 HB1 ALA 44 -13.995 -12.180 -0.042 363 HB2 ALA 44 HB2 ALA 44 -14.509 -11.962 1.630 364 HB3 ALA 44 HB3 ALA 44 -13.927 -13.535 1.083 365 H ASN 45 HN ASN 45 -10.148 -13.061 1.997 366 HA ASN 45 HA ASN 45 -9.578 -13.955 -0.741 367 HB2 ASN 45 HB2 ASN 45 -7.252 -13.291 -0.525 368 HB3 ASN 45 HB1 ASN 45 -8.289 -11.900 -0.255 369 HD21 ASN 45 HD21 ASN 45 -8.566 -11.160 1.926 370 HD22 ASN 45 HD22 ASN 45 -7.327 -11.449 3.096 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 21.646 -2.858 15.660 2 H2 ARG 1 HT2 ARG 1 22.654 -3.781 16.654 3 H3 ARG 1 HT3 ARG 1 23.117 -2.223 16.201 4 HA ARG 1 HA ARG 1 22.337 -2.284 18.479 5 HB2 ARG 1 HB2 ARG 1 20.456 -0.842 16.596 6 HB3 ARG 1 HB1 ARG 1 20.674 -0.474 18.299 7 HG2 ARG 1 HG2 ARG 1 23.029 0.099 17.842 8 HG3 ARG 1 HG1 ARG 1 22.736 -0.188 16.125 9 HD2 ARG 1 HD2 ARG 1 21.332 1.854 17.843 10 HD3 ARG 1 HD1 ARG 1 22.605 2.193 16.674 11 HE ARG 1 HE ARG 1 21.030 1.363 14.948 12 HH11 ARG 1 HH11 ARG 1 19.766 2.489 18.027 13 HH12 ARG 1 HH12 ARG 1 18.233 2.954 17.364 14 HH21 ARG 1 HH21 ARG 1 19.007 1.973 14.087 15 HH22 ARG 1 HH22 ARG 1 17.802 2.664 15.128 16 H VAL 2 HN VAL 2 21.607 -4.300 19.171 17 HA VAL 2 HA VAL 2 20.126 -5.863 19.884 18 HB VAL 2 HB VAL 2 17.993 -3.811 19.254 19 HG11 VAL 2 HG11 VAL 2 17.934 -6.224 21.061 20 HG12 VAL 2 HG12 VAL 2 17.097 -6.060 19.517 21 HG13 VAL 2 HG13 VAL 2 16.639 -5.040 20.881 22 HG21 VAL 2 HG21 VAL 2 19.446 -4.341 21.843 23 HG22 VAL 2 HG22 VAL 2 18.122 -3.199 21.614 24 HG23 VAL 2 HG23 VAL 2 19.667 -2.931 20.807 25 H GLN 3 HN GLN 3 20.538 -7.328 18.255 26 HA GLN 3 HA GLN 3 18.984 -7.142 15.785 27 HB2 GLN 3 HB2 GLN 3 21.427 -7.557 15.672 28 HB3 GLN 3 HB1 GLN 3 21.200 -9.051 16.564 29 HG2 GLN 3 HG2 GLN 3 19.919 -9.989 14.753 30 HG3 GLN 3 HG1 GLN 3 19.989 -8.463 13.874 31 HE21 GLN 3 HE21 GLN 3 21.757 -11.287 14.861 32 HE22 GLN 3 HE22 GLN 3 23.113 -11.049 13.811 33 H GLY 4 HN GLY 4 16.995 -7.949 15.999 34 HA2 GLY 4 HA2 GLY 4 16.654 -10.487 17.458 35 HA3 GLY 4 HA1 GLY 4 15.374 -9.327 17.124 36 H ARG 5 HN ARG 5 16.463 -8.987 14.371 37 HA ARG 5 HA ARG 5 14.755 -10.850 13.109 38 HB2 ARG 5 HB2 ARG 5 15.621 -9.806 10.992 39 HB3 ARG 5 HB1 ARG 5 14.913 -8.693 12.150 40 HG2 ARG 5 HG2 ARG 5 16.787 -7.559 11.431 41 HG3 ARG 5 HG1 ARG 5 17.345 -8.305 12.926 42 HD2 ARG 5 HD2 ARG 5 18.365 -10.122 11.619 43 HD3 ARG 5 HD1 ARG 5 17.830 -9.338 10.132 44 HE ARG 5 HE ARG 5 19.364 -7.548 11.712 45 HH11 ARG 5 HH11 ARG 5 19.699 -10.319 9.584 46 HH12 ARG 5 HH12 ARG 5 21.321 -9.922 9.122 47 HH21 ARG 5 HH21 ARG 5 21.488 -7.028 11.100 48 HH22 ARG 5 HH22 ARG 5 22.340 -8.042 9.981 49 H TRP 6 HN TRP 6 17.427 -11.724 14.468 50 HA TRP 6 HA TRP 6 18.509 -13.278 12.236 51 HB2 TRP 6 HB2 TRP 6 20.055 -12.036 13.791 52 HB3 TRP 6 HB1 TRP 6 19.548 -13.130 15.072 53 HD1 TRP 6 HD1 TRP 6 20.573 -15.563 15.080 54 HE1 TRP 6 HE1 TRP 6 22.465 -16.678 13.737 55 HE3 TRP 6 HE3 TRP 6 21.149 -12.041 11.419 56 HZ2 TRP 6 HZ2 TRP 6 24.001 -16.130 11.436 57 HZ3 TRP 6 HZ3 TRP 6 22.854 -12.413 9.685 58 HH2 TRP 6 HH2 TRP 6 24.249 -14.417 9.695 59 H LYS 7 HN LYS 7 17.279 -13.722 15.547 60 HA LYS 7 HA LYS 7 16.917 -16.568 15.062 61 HB2 LYS 7 HB2 LYS 7 17.757 -15.820 17.252 62 HB3 LYS 7 HB1 LYS 7 16.281 -14.900 17.506 63 HG2 LYS 7 HG2 LYS 7 16.189 -16.960 18.750 64 HG3 LYS 7 HG1 LYS 7 14.990 -16.995 17.460 65 HD2 LYS 7 HD2 LYS 7 16.569 -18.317 16.087 66 HD3 LYS 7 HD1 LYS 7 17.687 -18.345 17.450 67 HE2 LYS 7 HE2 LYS 7 14.896 -19.489 17.409 68 HE3 LYS 7 HE1 LYS 7 16.396 -20.410 17.335 69 HZ1 LYS 7 HZ1 LYS 7 15.482 -18.733 19.610 70 HZ2 LYS 7 HZ2 LYS 7 16.961 -19.551 19.539 71 HZ3 LYS 7 HZ3 LYS 7 15.513 -20.422 19.559 72 H VAL 8 HN VAL 8 15.003 -13.641 15.457 73 HA VAL 8 HA VAL 8 12.467 -14.965 15.328 74 HB VAL 8 HB VAL 8 13.145 -12.057 14.801 75 HG11 VAL 8 HG11 VAL 8 10.963 -12.656 13.898 76 HG12 VAL 8 HG12 VAL 8 10.791 -11.616 15.313 77 HG13 VAL 8 HG13 VAL 8 10.498 -13.350 15.452 78 HG21 VAL 8 HG21 VAL 8 12.240 -13.426 17.335 79 HG22 VAL 8 HG22 VAL 8 12.434 -11.686 17.122 80 HG23 VAL 8 HG23 VAL 8 13.838 -12.747 17.026 81 H ARG 9 HN ARG 9 14.873 -14.400 13.109 82 HA ARG 9 HA ARG 9 13.568 -13.813 10.723 83 HB2 ARG 9 HB2 ARG 9 15.946 -13.758 10.836 84 HB3 ARG 9 HB1 ARG 9 16.023 -15.433 11.356 85 HG2 ARG 9 HG2 ARG 9 15.226 -16.147 9.169 86 HG3 ARG 9 HG1 ARG 9 15.174 -14.464 8.639 87 HD2 ARG 9 HD2 ARG 9 17.227 -15.653 7.922 88 HD3 ARG 9 HD1 ARG 9 17.552 -14.245 8.932 89 HE ARG 9 HE ARG 9 17.387 -16.528 10.565 90 HH11 ARG 9 HH11 ARG 9 19.481 -15.117 8.142 91 HH12 ARG 9 HH12 ARG 9 20.918 -15.850 8.772 92 HH21 ARG 9 HH21 ARG 9 19.271 -17.490 11.403 93 HH22 ARG 9 HH22 ARG 9 20.796 -17.212 10.629 94 H ALA 10 HN ALA 10 14.078 -16.879 12.394 95 HA ALA 10 HA ALA 10 13.007 -18.535 10.355 96 HB1 ALA 10 HB1 ALA 10 14.507 -19.404 12.059 97 HB2 ALA 10 HB2 ALA 10 12.977 -20.281 12.067 98 HB3 ALA 10 HB3 ALA 10 13.306 -19.070 13.305 99 H SER 11 HN SER 11 11.560 -16.580 12.799 100 HA SER 11 HA SER 11 9.096 -17.994 12.997 101 HB2 SER 11 HB2 SER 11 9.728 -15.108 13.663 102 HB3 SER 11 HB1 SER 11 8.298 -16.000 14.184 103 HG SER 11 HG SER 11 10.110 -15.883 15.723 104 H PHE 12 HN PHE 12 10.416 -15.784 10.713 105 HA PHE 12 HA PHE 12 7.958 -14.780 9.690 106 HB2 PHE 12 HB2 PHE 12 10.745 -14.878 8.556 107 HB3 PHE 12 HB1 PHE 12 9.386 -14.218 7.650 108 HD1 PHE 12 HD1 PHE 12 11.759 -13.665 10.317 109 HD2 PHE 12 HD2 PHE 12 8.220 -12.204 8.477 110 HE1 PHE 12 HE1 PHE 12 12.079 -11.501 11.440 111 HE2 PHE 12 HE2 PHE 12 8.529 -10.035 9.594 112 HZ PHE 12 HZ PHE 12 10.461 -9.681 11.080 113 H PHE 13 HN PHE 13 9.569 -17.779 9.357 114 HA PHE 13 HA PHE 13 8.477 -18.560 6.860 115 HB2 PHE 13 HB2 PHE 13 9.467 -20.146 9.227 116 HB3 PHE 13 HB1 PHE 13 8.861 -20.913 7.763 117 HD1 PHE 13 HD1 PHE 13 11.443 -18.571 9.025 118 HD2 PHE 13 HD2 PHE 13 10.239 -21.200 5.906 119 HE1 PHE 13 HE1 PHE 13 13.668 -18.364 7.999 120 HE2 PHE 13 HE2 PHE 13 12.460 -20.994 4.869 121 HZ PHE 13 HZ PHE 13 14.176 -19.574 5.915 122 H LYS 14 HN LYS 14 7.260 -18.380 10.078 123 HA LYS 14 HA LYS 14 4.879 -19.909 9.596 124 HB2 LYS 14 HB2 LYS 14 5.626 -17.960 11.784 125 HB3 LYS 14 HB1 LYS 14 4.124 -18.873 11.754 126 HG2 LYS 14 HG2 LYS 14 5.392 -20.960 11.829 127 HG3 LYS 14 HG1 LYS 14 6.897 -20.038 11.869 128 HD2 LYS 14 HD2 LYS 14 6.386 -19.129 13.998 129 HD3 LYS 14 HD1 LYS 14 4.718 -19.696 13.915 130 HE2 LYS 14 HE2 LYS 14 5.971 -21.116 15.404 131 HE3 LYS 14 HE1 LYS 14 5.542 -22.021 13.956 132 HZ1 LYS 14 HZ1 LYS 14 7.775 -21.662 13.111 133 HZ2 LYS 14 HZ2 LYS 14 7.822 -22.435 14.613 134 HZ3 LYS 14 HZ3 LYS 14 8.187 -20.789 14.500 135 H GLU 15 HN GLU 15 5.845 -16.549 9.480 136 HA GLU 15 HA GLU 15 3.208 -15.549 8.984 137 HB2 GLU 15 HB2 GLU 15 5.924 -14.268 8.663 138 HB3 GLU 15 HB1 GLU 15 4.392 -13.420 8.490 139 HG2 GLU 15 HG2 GLU 15 3.835 -13.908 10.798 140 HG3 GLU 15 HG1 GLU 15 5.330 -14.821 10.982 141 H ALA 16 HN ALA 16 5.799 -16.795 7.088 142 HA ALA 16 HA ALA 16 4.920 -15.856 4.558 143 HB1 ALA 16 HB1 ALA 16 6.575 -18.294 5.225 144 HB2 ALA 16 HB2 ALA 16 7.208 -16.668 4.955 145 HB3 ALA 16 HB3 ALA 16 6.424 -17.541 3.637 146 H ALA 17 HN ALA 17 4.134 -18.567 6.609 147 HA ALA 17 HA ALA 17 2.381 -19.749 4.616 148 HB1 ALA 17 HB1 ALA 17 3.691 -21.221 6.067 149 HB2 ALA 17 HB2 ALA 17 1.960 -21.469 6.300 150 HB3 ALA 17 HB3 ALA 17 2.886 -20.544 7.483 151 H ALA 18 HN ALA 18 2.184 -17.154 6.509 152 HA ALA 18 HA ALA 18 -0.625 -17.524 7.255 153 HB1 ALA 18 HB1 ALA 18 0.878 -16.790 9.051 154 HB2 ALA 18 HB2 ALA 18 -0.350 -15.577 8.689 155 HB3 ALA 18 HB3 ALA 18 1.299 -15.363 8.105 156 H LYS 19 HN LYS 19 0.772 -16.794 4.586 157 HA LYS 19 HA LYS 19 -0.148 -14.139 4.020 158 HB2 LYS 19 HB2 LYS 19 0.905 -16.323 2.222 159 HB3 LYS 19 HB1 LYS 19 0.482 -14.713 1.659 160 HG2 LYS 19 HG2 LYS 19 2.583 -15.331 3.731 161 HG3 LYS 19 HG1 LYS 19 2.893 -14.981 2.029 162 HD2 LYS 19 HD2 LYS 19 1.892 -12.764 2.302 163 HD3 LYS 19 HD1 LYS 19 1.577 -13.112 4.003 164 HE2 LYS 19 HE2 LYS 19 3.572 -11.765 3.811 165 HE3 LYS 19 HE1 LYS 19 4.007 -13.382 4.361 166 HZ1 LYS 19 HZ1 LYS 19 5.519 -12.562 2.656 167 HZ2 LYS 19 HZ2 LYS 19 4.236 -12.404 1.565 168 HZ3 LYS 19 HZ3 LYS 19 4.688 -13.934 2.121 169 H GLU 20 HN GLU 20 -1.815 -16.894 4.480 170 HA GLU 20 HA GLU 20 -3.756 -16.827 2.422 171 HB2 GLU 20 HB2 GLU 20 -5.192 -18.041 4.067 172 HB3 GLU 20 HB1 GLU 20 -3.608 -18.767 3.838 173 HG2 GLU 20 HG2 GLU 20 -2.824 -17.827 5.910 174 HG3 GLU 20 HG1 GLU 20 -4.334 -16.940 6.116 175 H ALA 21 HN ALA 21 -3.064 -14.750 5.017 176 HA ALA 21 HA ALA 21 -5.617 -13.649 5.508 177 HB1 ALA 21 HB1 ALA 21 -4.418 -11.796 6.533 178 HB2 ALA 21 HB2 ALA 21 -2.913 -12.349 5.800 179 HB3 ALA 21 HB3 ALA 21 -3.714 -13.338 7.019 180 H ALA 22 HN ALA 22 -3.642 -13.510 2.788 181 HA ALA 22 HA ALA 22 -3.951 -10.928 1.818 182 HB1 ALA 22 HB1 ALA 22 -2.490 -12.612 0.797 183 HB2 ALA 22 HB2 ALA 22 -3.559 -11.864 -0.389 184 HB3 ALA 22 HB3 ALA 22 -3.909 -13.482 0.216 185 H ALA 23 HN ALA 23 -6.048 -13.754 1.264 186 HA ALA 23 HA ALA 23 -7.982 -12.239 -0.197 187 HB1 ALA 23 HB1 ALA 23 -7.639 -14.616 -0.632 188 HB2 ALA 23 HB2 ALA 23 -9.310 -14.281 -0.180 189 HB3 ALA 23 HB3 ALA 23 -8.205 -14.998 0.993 190 H LYS 24 HN LYS 24 -7.320 -12.591 3.083 191 HA LYS 24 HA LYS 24 -10.053 -12.245 3.986 192 HB2 LYS 24 HB2 LYS 24 -7.484 -12.087 5.575 193 HB3 LYS 24 HB1 LYS 24 -9.111 -12.231 6.228 194 HG2 LYS 24 HG2 LYS 24 -9.321 -14.447 5.212 195 HG3 LYS 24 HG1 LYS 24 -7.686 -14.299 4.565 196 HD2 LYS 24 HD2 LYS 24 -6.887 -14.011 6.932 197 HD3 LYS 24 HD1 LYS 24 -8.516 -14.431 7.458 198 HE2 LYS 24 HE2 LYS 24 -8.344 -16.593 6.386 199 HE3 LYS 24 HE1 LYS 24 -6.763 -16.172 5.731 200 HZ1 LYS 24 HZ1 LYS 24 -7.477 -16.599 8.574 201 HZ2 LYS 24 HZ2 LYS 24 -6.011 -15.925 8.085 202 HZ3 LYS 24 HZ3 LYS 24 -6.401 -17.510 7.630 203 H GLY 25 HN GLY 25 -7.023 -10.378 4.203 204 HA2 GLY 25 HA2 GLY 25 -8.150 -7.969 3.330 205 HA3 GLY 25 HA1 GLY 25 -8.219 -7.987 5.086 206 H PHE 26 HN PHE 26 -5.698 -9.451 3.119 207 HA PHE 26 HA PHE 26 -3.837 -7.399 4.116 208 HB2 PHE 26 HB2 PHE 26 -3.508 -9.606 5.213 209 HB3 PHE 26 HB1 PHE 26 -3.212 -10.321 3.634 210 HD1 PHE 26 HD1 PHE 26 -1.988 -7.433 5.655 211 HD2 PHE 26 HD2 PHE 26 -1.026 -10.670 3.069 212 HE1 PHE 26 HE1 PHE 26 0.400 -6.886 5.871 213 HE2 PHE 26 HE2 PHE 26 1.367 -10.129 3.278 214 HZ PHE 26 HZ PHE 26 2.079 -8.234 4.679 215 H ALA 27 HN ALA 27 -5.377 -8.421 1.517 216 HA ALA 27 HA ALA 27 -3.464 -7.181 -0.274 217 HB1 ALA 27 HB1 ALA 27 -4.610 -9.919 -0.845 218 HB2 ALA 27 HB2 ALA 27 -2.925 -9.566 -0.461 219 HB3 ALA 27 HB3 ALA 27 -3.635 -8.953 -1.953 220 H TRP 28 HN TRP 28 -4.627 -5.594 -1.068 221 HA TRP 28 HA TRP 28 -6.256 -4.338 -1.901 222 HB2 TRP 28 HB2 TRP 28 -6.447 -6.206 -3.554 223 HB3 TRP 28 HB1 TRP 28 -7.728 -6.869 -2.543 224 HD1 TRP 28 HD1 TRP 28 -6.940 -3.490 -4.214 225 HE1 TRP 28 HE1 TRP 28 -9.145 -2.492 -5.115 226 HE3 TRP 28 HE3 TRP 28 -10.164 -7.124 -2.647 227 HZ2 TRP 28 HZ2 TRP 28 -11.891 -3.173 -5.144 228 HZ3 TRP 28 HZ3 TRP 28 -12.559 -6.881 -3.145 229 HH2 TRP 28 HH2 TRP 28 -13.406 -4.945 -4.369 230 H ASN 29 HN ASN 29 -7.081 -3.289 -0.306 231 HA ASN 29 HA ASN 29 -9.026 -4.494 1.486 232 HB2 ASN 29 HB2 ASN 29 -8.117 -1.603 1.372 233 HB3 ASN 29 HB1 ASN 29 -9.029 -2.371 2.664 234 HD21 ASN 29 HD21 ASN 29 -5.928 -1.978 1.189 235 HD22 ASN 29 HD22 ASN 29 -5.003 -2.718 2.451 236 H VAL 30 HN VAL 30 -11.209 -3.910 1.513 237 HA VAL 30 HA VAL 30 -12.172 -3.019 -1.080 238 HB VAL 30 HB VAL 30 -13.968 -3.729 1.216 239 HG11 VAL 30 HG11 VAL 30 -15.403 -4.568 -0.600 240 HG12 VAL 30 HG12 VAL 30 -14.184 -4.063 -1.770 241 HG13 VAL 30 HG13 VAL 30 -15.005 -2.859 -0.776 242 HG21 VAL 30 HG21 VAL 30 -12.525 -5.714 -0.535 243 HG22 VAL 30 HG22 VAL 30 -13.889 -6.093 0.517 244 HG23 VAL 30 HG23 VAL 30 -12.371 -5.529 1.213 245 H CYS 31 HN CYS 31 -11.938 -0.861 -1.188 246 HA CYS 31 HA CYS 31 -12.914 0.763 1.039 247 HB2 CYS 31 HB2 CYS 31 -11.771 2.639 -0.170 248 HB3 CYS 31 HB1 CYS 31 -10.705 1.354 0.381 249 HG CYS 31 HG CYS 31 -11.272 2.476 -2.698 250 H VAL 32 HN VAL 32 -14.707 1.883 0.947 251 HA VAL 32 HA VAL 32 -15.817 2.627 -1.666 252 HB VAL 32 HB VAL 32 -18.141 2.194 -0.583 253 HG11 VAL 32 HG11 VAL 32 -17.307 1.093 -2.577 254 HG12 VAL 32 HG12 VAL 32 -18.200 -0.039 -1.562 255 HG13 VAL 32 HG13 VAL 32 -16.436 -0.077 -1.586 256 HG21 VAL 32 HG21 VAL 32 -16.436 0.239 0.960 257 HG22 VAL 32 HG22 VAL 32 -18.198 0.236 0.900 258 HG23 VAL 32 HG23 VAL 32 -17.343 1.591 1.637 259 H TYR 33 HN TYR 33 -17.240 4.449 -1.559 260 HA TYR 33 HA TYR 33 -16.362 6.216 0.580 261 HB2 TYR 33 HB2 TYR 33 -17.970 6.887 -1.891 262 HB3 TYR 33 HB1 TYR 33 -17.218 8.035 -0.786 263 HD1 TYR 33 HD1 TYR 33 -14.642 7.757 -0.440 264 HD2 TYR 33 HD2 TYR 33 -16.769 6.216 -3.788 265 HE1 TYR 33 HE1 TYR 33 -12.544 7.622 -1.703 266 HE2 TYR 33 HE2 TYR 33 -14.676 6.082 -5.061 267 HH TYR 33 HH TYR 33 -12.444 7.109 -5.061 268 H ARG 34 HN ARG 34 -17.451 5.504 2.274 269 HA ARG 34 HA ARG 34 -20.380 5.472 2.195 270 HB2 ARG 34 HB2 ARG 34 -19.292 3.398 2.894 271 HB3 ARG 34 HB1 ARG 34 -18.392 4.259 4.125 272 HG2 ARG 34 HG2 ARG 34 -20.430 4.723 5.332 273 HG3 ARG 34 HG1 ARG 34 -21.370 3.935 4.068 274 HD2 ARG 34 HD2 ARG 34 -20.188 1.831 4.517 275 HD3 ARG 34 HD1 ARG 34 -19.283 2.627 5.803 276 HE ARG 34 HE ARG 34 -21.835 3.055 6.536 277 HH11 ARG 34 HH11 ARG 34 -20.112 0.162 5.585 278 HH12 ARG 34 HH12 ARG 34 -21.089 -0.893 6.551 279 HH21 ARG 34 HH21 ARG 34 -23.124 1.677 7.811 280 HH22 ARG 34 HH22 ARG 34 -22.797 -0.026 7.833 281 H ASN 35 HN ASN 35 -21.350 7.215 2.963 282 HA ASN 35 HA ASN 35 -21.758 9.196 4.009 283 HB2 ASN 35 HB2 ASN 35 -19.559 8.516 5.971 284 HB3 ASN 35 HB1 ASN 35 -20.871 9.666 6.197 285 HD21 ASN 35 HD21 ASN 35 -19.909 6.380 6.203 286 HD22 ASN 35 HD22 ASN 35 -21.355 5.725 6.918 287 H GLY 36 HN GLY 36 -19.615 8.746 1.976 288 HA2 GLY 36 HA2 GLY 36 -18.254 10.226 0.818 289 HA3 GLY 36 HA1 GLY 36 -18.394 11.363 2.151 290 H VAL 37 HN VAL 37 -17.627 8.522 3.578 291 HA VAL 37 HA VAL 37 -14.779 9.253 3.656 292 HB VAL 37 HB VAL 37 -16.294 7.335 5.435 293 HG11 VAL 37 HG11 VAL 37 -13.580 8.603 5.761 294 HG12 VAL 37 HG12 VAL 37 -13.901 6.912 5.376 295 HG13 VAL 37 HG13 VAL 37 -14.381 7.566 6.942 296 HG21 VAL 37 HG21 VAL 37 -16.296 9.114 7.115 297 HG22 VAL 37 HG22 VAL 37 -17.191 9.590 5.671 298 HG23 VAL 37 HG23 VAL 37 -15.566 10.217 5.947 299 H ARG 38 HN ARG 38 -13.212 7.907 2.985 300 HA ARG 38 HA ARG 38 -13.987 5.707 1.305 301 HB2 ARG 38 HB2 ARG 38 -12.175 7.189 0.620 302 HB3 ARG 38 HB1 ARG 38 -11.267 6.778 2.066 303 HG2 ARG 38 HG2 ARG 38 -10.919 4.543 1.296 304 HG3 ARG 38 HG1 ARG 38 -12.037 4.780 -0.048 305 HD2 ARG 38 HD2 ARG 38 -10.544 6.408 -1.041 306 HD3 ARG 38 HD1 ARG 38 -9.451 6.283 0.334 307 HE ARG 38 HE ARG 38 -9.430 3.775 -0.466 308 HH11 ARG 38 HH11 ARG 38 -9.292 6.689 -2.409 309 HH12 ARG 38 HH12 ARG 38 -8.371 5.951 -3.677 310 HH21 ARG 38 HH21 ARG 38 -8.233 2.797 -2.135 311 HH22 ARG 38 HH22 ARG 38 -7.772 3.729 -3.526 312 H VAL 39 HN VAL 39 -14.870 4.193 2.621 313 HA VAL 39 HA VAL 39 -13.477 3.270 5.001 314 HB VAL 39 HB VAL 39 -16.039 2.202 3.820 315 HG11 VAL 39 HG11 VAL 39 -14.943 2.143 6.625 316 HG12 VAL 39 HG12 VAL 39 -15.056 0.777 5.516 317 HG13 VAL 39 HG13 VAL 39 -16.525 1.541 6.128 318 HG21 VAL 39 HG21 VAL 39 -17.178 3.720 5.425 319 HG22 VAL 39 HG22 VAL 39 -16.371 4.525 4.075 320 HG23 VAL 39 HG23 VAL 39 -15.623 4.520 5.674 321 H CYS 40 HN CYS 40 -12.032 1.790 4.884 322 HA CYS 40 HA CYS 40 -12.100 -0.142 2.676 323 HB2 CYS 40 HB2 CYS 40 -9.821 0.450 4.545 324 HB3 CYS 40 HB1 CYS 40 -9.747 -0.421 3.021 325 HG CYS 40 HG CYS 40 -10.148 2.935 3.490 326 H HIS 41 HN HIS 41 -12.850 -2.072 3.159 327 HA HIS 41 HA HIS 41 -12.575 -3.040 5.921 328 HB2 HIS 41 HB2 HIS 41 -14.723 -4.222 5.685 329 HB3 HIS 41 HB1 HIS 41 -14.900 -2.479 5.600 330 HD1 HIS 41 HD1 HIS 41 -15.426 -5.610 3.703 331 HD2 HIS 41 HD2 HIS 41 -15.672 -1.517 3.023 332 HE1 HIS 41 HE1 HIS 41 -16.784 -5.350 1.605 333 HE2 HIS 41 HE2 HIS 41 -17.007 -2.864 1.268 334 H ARG 42 HN ARG 42 -12.912 -5.427 6.093 335 HA ARG 42 HA ARG 42 -10.927 -6.762 4.613 336 HB2 ARG 42 HB2 ARG 42 -13.200 -7.970 6.198 337 HB3 ARG 42 HB1 ARG 42 -11.723 -8.792 5.717 338 HG2 ARG 42 HG2 ARG 42 -10.415 -7.339 7.146 339 HG3 ARG 42 HG1 ARG 42 -11.866 -6.432 7.582 340 HD2 ARG 42 HD2 ARG 42 -12.825 -8.611 8.420 341 HD3 ARG 42 HD1 ARG 42 -11.219 -9.303 8.214 342 HE ARG 42 HE ARG 42 -10.799 -7.094 9.756 343 HH11 ARG 42 HH11 ARG 42 -12.849 -9.915 10.000 344 HH12 ARG 42 HH12 ARG 42 -12.893 -9.900 11.734 345 HH21 ARG 42 HH21 ARG 42 -10.843 -7.070 12.048 346 HH22 ARG 42 HH22 ARG 42 -11.761 -8.275 12.900 347 H ARG 43 HN ARG 43 -11.190 -8.627 3.228 348 HA ARG 43 HA ARG 43 -13.088 -8.083 1.158 349 HB2 ARG 43 HB2 ARG 43 -10.668 -9.767 1.555 350 HB3 ARG 43 HB1 ARG 43 -11.757 -10.149 0.251 351 HG2 ARG 43 HG2 ARG 43 -11.466 -7.958 -0.706 352 HG3 ARG 43 HG1 ARG 43 -10.466 -7.478 0.668 353 HD2 ARG 43 HD2 ARG 43 -9.050 -8.031 -1.205 354 HD3 ARG 43 HD1 ARG 43 -8.847 -9.229 0.068 355 HE ARG 43 HE ARG 43 -10.780 -10.229 -1.636 356 HH11 ARG 43 HH11 ARG 43 -7.409 -9.295 -1.823 357 HH12 ARG 43 HH12 ARG 43 -7.033 -10.429 -3.083 358 HH21 ARG 43 HH21 ARG 43 -10.296 -11.718 -3.299 359 HH22 ARG 43 HH22 ARG 43 -8.686 -11.797 -3.940 360 H ALA 44 HN ALA 44 -15.009 -9.008 1.053 361 HA ALA 44 HA ALA 44 -15.310 -11.827 1.685 362 HB1 ALA 44 HB1 ALA 44 -16.989 -9.724 3.052 363 HB2 ALA 44 HB2 ALA 44 -15.795 -10.767 3.824 364 HB3 ALA 44 HB3 ALA 44 -17.259 -11.466 3.131 365 H ASN 45 HN ASN 45 -15.318 -10.433 -0.755 366 HA ASN 45 HA ASN 45 -18.014 -9.913 -1.586 367 HB2 ASN 45 HB2 ASN 45 -15.425 -10.196 -3.112 368 HB3 ASN 45 HB1 ASN 45 -16.966 -9.890 -3.902 369 HD21 ASN 45 HD21 ASN 45 -14.555 -8.273 -3.815 370 HD22 ASN 45 HD22 ASN 45 -15.026 -6.746 -3.150 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 17.668 -30.878 -8.803 2 H2 ARG 1 HT2 ARG 1 16.737 -31.072 -7.407 3 H3 ARG 1 HT3 ARG 1 16.434 -32.031 -8.762 4 HA ARG 1 HA ARG 1 18.511 -33.142 -8.549 5 HB2 ARG 1 HB2 ARG 1 19.995 -32.660 -6.631 6 HB3 ARG 1 HB1 ARG 1 19.845 -31.289 -7.718 7 HG2 ARG 1 HG2 ARG 1 18.198 -30.292 -6.164 8 HG3 ARG 1 HG1 ARG 1 18.482 -31.635 -5.058 9 HD2 ARG 1 HD2 ARG 1 19.801 -29.733 -4.370 10 HD3 ARG 1 HD1 ARG 1 20.869 -31.006 -4.958 11 HE ARG 1 HE ARG 1 20.194 -29.150 -7.017 12 HH11 ARG 1 HH11 ARG 1 22.278 -29.615 -4.243 13 HH12 ARG 1 HH12 ARG 1 23.502 -28.533 -4.827 14 HH21 ARG 1 HH21 ARG 1 21.798 -27.731 -7.787 15 HH22 ARG 1 HH22 ARG 1 23.224 -27.452 -6.836 16 H VAL 2 HN VAL 2 18.344 -35.106 -7.633 17 HA VAL 2 HA VAL 2 17.592 -36.835 -6.378 18 HB VAL 2 HB VAL 2 16.802 -34.732 -4.353 19 HG11 VAL 2 HG11 VAL 2 17.000 -37.730 -4.062 20 HG12 VAL 2 HG12 VAL 2 15.516 -36.777 -4.045 21 HG13 VAL 2 HG13 VAL 2 16.701 -36.587 -2.753 22 HG21 VAL 2 HG21 VAL 2 19.195 -34.774 -4.756 23 HG22 VAL 2 HG22 VAL 2 19.225 -36.522 -4.518 24 HG23 VAL 2 HG23 VAL 2 18.832 -35.455 -3.169 25 H GLN 3 HN GLN 3 15.226 -34.278 -5.647 26 HA GLN 3 HA GLN 3 13.142 -36.072 -6.688 27 HB2 GLN 3 HB2 GLN 3 11.610 -34.715 -5.161 28 HB3 GLN 3 HB1 GLN 3 12.714 -35.845 -4.394 29 HG2 GLN 3 HG2 GLN 3 14.205 -34.049 -3.794 30 HG3 GLN 3 HG1 GLN 3 13.207 -32.889 -4.669 31 HE21 GLN 3 HE21 GLN 3 13.995 -33.038 -1.834 32 HE22 GLN 3 HE22 GLN 3 12.512 -33.013 -0.946 33 H GLY 4 HN GLY 4 12.259 -35.447 -8.512 34 HA2 GLY 4 HA2 GLY 4 12.656 -32.752 -9.493 35 HA3 GLY 4 HA1 GLY 4 11.905 -34.084 -10.361 36 H ARG 5 HN ARG 5 10.264 -34.364 -7.698 37 HA ARG 5 HA ARG 5 8.036 -32.881 -8.709 38 HB2 ARG 5 HB2 ARG 5 6.774 -33.850 -6.835 39 HB3 ARG 5 HB1 ARG 5 7.643 -35.067 -7.750 40 HG2 ARG 5 HG2 ARG 5 7.950 -35.720 -5.553 41 HG3 ARG 5 HG1 ARG 5 9.441 -34.862 -5.927 42 HD2 ARG 5 HD2 ARG 5 8.474 -34.320 -3.695 43 HD3 ARG 5 HD1 ARG 5 8.706 -32.922 -4.743 44 HE ARG 5 HE ARG 5 6.111 -33.740 -5.171 45 HH11 ARG 5 HH11 ARG 5 7.986 -32.727 -2.397 46 HH12 ARG 5 HH12 ARG 5 6.635 -31.993 -1.597 47 HH21 ARG 5 HH21 ARG 5 4.336 -32.765 -4.124 48 HH22 ARG 5 HH22 ARG 5 4.561 -32.019 -2.570 49 H TRP 6 HN TRP 6 10.615 -31.985 -6.854 50 HA TRP 6 HA TRP 6 9.469 -30.325 -4.898 51 HB2 TRP 6 HB2 TRP 6 11.854 -30.880 -4.878 52 HB3 TRP 6 HB1 TRP 6 12.088 -30.000 -6.385 53 HD1 TRP 6 HD1 TRP 6 11.337 -29.398 -2.667 54 HE1 TRP 6 HE1 TRP 6 11.952 -26.966 -2.094 55 HE3 TRP 6 HE3 TRP 6 12.430 -27.706 -7.369 56 HZ2 TRP 6 HZ2 TRP 6 12.785 -24.640 -3.455 57 HZ3 TRP 6 HZ3 TRP 6 13.129 -25.363 -7.646 58 HH2 TRP 6 HH2 TRP 6 13.301 -23.865 -5.727 59 H LYS 7 HN LYS 7 10.193 -29.845 -8.292 60 HA LYS 7 HA LYS 7 9.773 -27.067 -8.414 61 HB2 LYS 7 HB2 LYS 7 10.878 -28.565 -10.135 62 HB3 LYS 7 HB1 LYS 7 9.269 -29.049 -10.635 63 HG2 LYS 7 HG2 LYS 7 10.164 -27.343 -12.105 64 HG3 LYS 7 HG1 LYS 7 8.754 -26.742 -11.234 65 HD2 LYS 7 HD2 LYS 7 10.591 -25.091 -11.367 66 HD3 LYS 7 HD1 LYS 7 10.158 -25.509 -9.711 67 HE2 LYS 7 HE2 LYS 7 12.579 -25.380 -9.995 68 HE3 LYS 7 HE1 LYS 7 12.070 -27.011 -9.572 69 HZ1 LYS 7 HZ1 LYS 7 13.753 -26.957 -11.336 70 HZ2 LYS 7 HZ2 LYS 7 12.691 -26.098 -12.329 71 HZ3 LYS 7 HZ3 LYS 7 12.315 -27.677 -11.858 72 H VAL 8 HN VAL 8 7.605 -29.740 -8.239 73 HA VAL 8 HA VAL 8 5.287 -28.359 -9.200 74 HB VAL 8 HB VAL 8 5.445 -30.852 -7.494 75 HG11 VAL 8 HG11 VAL 8 3.191 -29.782 -9.188 76 HG12 VAL 8 HG12 VAL 8 3.250 -29.778 -7.426 77 HG13 VAL 8 HG13 VAL 8 3.188 -31.306 -8.303 78 HG21 VAL 8 HG21 VAL 8 6.645 -31.118 -9.609 79 HG22 VAL 8 HG22 VAL 8 5.216 -30.580 -10.490 80 HG23 VAL 8 HG23 VAL 8 5.175 -32.090 -9.580 81 H ARG 9 HN ARG 9 6.456 -29.322 -5.962 82 HA ARG 9 HA ARG 9 4.346 -28.038 -4.576 83 HB2 ARG 9 HB2 ARG 9 5.533 -28.490 -2.566 84 HB3 ARG 9 HB1 ARG 9 5.818 -29.852 -3.633 85 HG2 ARG 9 HG2 ARG 9 8.026 -29.077 -4.137 86 HG3 ARG 9 HG1 ARG 9 7.746 -27.573 -3.260 87 HD2 ARG 9 HD2 ARG 9 7.764 -30.334 -2.049 88 HD3 ARG 9 HD1 ARG 9 9.084 -29.170 -1.958 89 HE ARG 9 HE ARG 9 6.734 -27.983 -0.962 90 HH11 ARG 9 HH11 ARG 9 9.060 -30.463 -0.118 91 HH12 ARG 9 HH12 ARG 9 8.831 -30.275 1.593 92 HH21 ARG 9 HH21 ARG 9 6.443 -27.725 1.299 93 HH22 ARG 9 HH22 ARG 9 7.347 -28.718 2.395 94 H ALA 10 HN ALA 10 7.428 -26.946 -5.783 95 HA ALA 10 HA ALA 10 7.624 -24.544 -4.310 96 HB1 ALA 10 HB1 ALA 10 9.516 -25.524 -5.513 97 HB2 ALA 10 HB2 ALA 10 9.235 -23.853 -6.005 98 HB3 ALA 10 HB3 ALA 10 8.719 -25.178 -7.048 99 H SER 11 HN SER 11 5.783 -25.454 -7.107 100 HA SER 11 HA SER 11 5.154 -22.818 -7.981 101 HB2 SER 11 HB2 SER 11 4.967 -24.833 -9.435 102 HB3 SER 11 HB1 SER 11 3.625 -25.396 -8.441 103 HG SER 11 HG SER 11 3.744 -23.083 -10.078 104 H PHE 12 HN PHE 12 3.622 -25.183 -5.849 105 HA PHE 12 HA PHE 12 1.310 -23.622 -5.302 106 HB2 PHE 12 HB2 PHE 12 2.588 -25.937 -3.850 107 HB3 PHE 12 HB1 PHE 12 1.104 -25.169 -3.298 108 HD1 PHE 12 HD1 PHE 12 2.589 -27.463 -5.664 109 HD2 PHE 12 HD2 PHE 12 -0.931 -25.277 -4.693 110 HE1 PHE 12 HE1 PHE 12 1.276 -28.914 -7.158 111 HE2 PHE 12 HE2 PHE 12 -2.247 -26.723 -6.183 112 HZ PHE 12 HZ PHE 12 -1.141 -28.544 -7.414 113 H PHE 13 HN PHE 13 4.339 -24.176 -3.540 114 HA PHE 13 HA PHE 13 3.740 -22.571 -1.321 115 HB2 PHE 13 HB2 PHE 13 5.589 -24.197 -1.361 116 HB3 PHE 13 HB1 PHE 13 6.453 -23.186 -2.514 117 HD1 PHE 13 HD1 PHE 13 4.982 -23.103 0.904 118 HD2 PHE 13 HD2 PHE 13 7.955 -21.599 -1.744 119 HE1 PHE 13 HE1 PHE 13 6.021 -21.883 2.770 120 HE2 PHE 13 HE2 PHE 13 8.996 -20.375 0.119 121 HZ PHE 13 HZ PHE 13 8.030 -20.515 2.379 122 H LYS 14 HN LYS 14 4.902 -21.754 -4.505 123 HA LYS 14 HA LYS 14 5.913 -19.189 -3.978 124 HB2 LYS 14 HB2 LYS 14 6.269 -20.389 -6.101 125 HB3 LYS 14 HB1 LYS 14 4.563 -20.219 -6.482 126 HG2 LYS 14 HG2 LYS 14 5.864 -18.601 -7.708 127 HG3 LYS 14 HG1 LYS 14 4.828 -17.783 -6.538 128 HD2 LYS 14 HD2 LYS 14 6.723 -17.556 -5.015 129 HD3 LYS 14 HD1 LYS 14 7.761 -18.392 -6.172 130 HE2 LYS 14 HE2 LYS 14 7.365 -16.613 -7.805 131 HE3 LYS 14 HE1 LYS 14 6.328 -15.782 -6.649 132 HZ1 LYS 14 HZ1 LYS 14 8.227 -15.526 -5.180 133 HZ2 LYS 14 HZ2 LYS 14 8.548 -14.840 -6.692 134 HZ3 LYS 14 HZ3 LYS 14 9.220 -16.336 -6.285 135 H GLU 15 HN GLU 15 2.660 -20.335 -4.704 136 HA GLU 15 HA GLU 15 1.543 -17.671 -4.643 137 HB2 GLU 15 HB2 GLU 15 0.277 -20.402 -4.819 138 HB3 GLU 15 HB1 GLU 15 -0.649 -18.908 -4.792 139 HG2 GLU 15 HG2 GLU 15 0.502 -18.177 -6.831 140 HG3 GLU 15 HG1 GLU 15 1.378 -19.707 -6.867 141 H ALA 16 HN ALA 16 1.800 -20.422 -2.485 142 HA ALA 16 HA ALA 16 -0.013 -19.504 -0.526 143 HB1 ALA 16 HB1 ALA 16 2.346 -21.347 -0.178 144 HB2 ALA 16 HB2 ALA 16 0.729 -21.839 -0.685 145 HB3 ALA 16 HB3 ALA 16 0.984 -21.174 0.929 146 H ALA 17 HN ALA 17 3.414 -18.971 -1.064 147 HA ALA 17 HA ALA 17 3.904 -17.755 1.473 148 HB1 ALA 17 HB1 ALA 17 5.534 -17.696 -1.061 149 HB2 ALA 17 HB2 ALA 17 5.689 -18.858 0.257 150 HB3 ALA 17 HB3 ALA 17 6.084 -17.162 0.526 151 H ALA 18 HN ALA 18 2.211 -16.640 -1.153 152 HA ALA 18 HA ALA 18 3.121 -13.923 -1.160 153 HB1 ALA 18 HB1 ALA 18 1.209 -13.489 -2.610 154 HB2 ALA 18 HB2 ALA 18 0.577 -15.100 -2.270 155 HB3 ALA 18 HB3 ALA 18 2.097 -14.916 -3.145 156 H LYS 19 HN LYS 19 1.296 -15.727 0.965 157 HA LYS 19 HA LYS 19 -0.721 -13.940 1.759 158 HB2 LYS 19 HB2 LYS 19 -0.726 -16.296 2.391 159 HB3 LYS 19 HB1 LYS 19 0.718 -16.060 3.364 160 HG2 LYS 19 HG2 LYS 19 -0.511 -14.584 4.858 161 HG3 LYS 19 HG1 LYS 19 -1.957 -14.774 3.869 162 HD2 LYS 19 HD2 LYS 19 -0.537 -17.057 5.230 163 HD3 LYS 19 HD1 LYS 19 -1.904 -16.192 5.932 164 HE2 LYS 19 HE2 LYS 19 -1.924 -17.692 3.315 165 HE3 LYS 19 HE1 LYS 19 -2.590 -18.276 4.837 166 HZ1 LYS 19 HZ1 LYS 19 -4.332 -17.377 3.476 167 HZ2 LYS 19 HZ2 LYS 19 -3.515 -15.909 3.308 168 HZ3 LYS 19 HZ3 LYS 19 -4.115 -16.374 4.817 169 H GLU 20 HN GLU 20 2.688 -14.068 2.498 170 HA GLU 20 HA GLU 20 2.674 -12.483 4.829 171 HB2 GLU 20 HB2 GLU 20 5.051 -12.102 4.399 172 HB3 GLU 20 HB1 GLU 20 4.634 -13.794 4.163 173 HG2 GLU 20 HG2 GLU 20 4.739 -13.582 1.808 174 HG3 GLU 20 HG1 GLU 20 4.834 -11.824 1.904 175 H ALA 21 HN ALA 21 2.431 -11.690 1.456 176 HA ALA 21 HA ALA 21 3.063 -8.910 1.753 177 HB1 ALA 21 HB1 ALA 21 2.264 -8.688 -0.539 178 HB2 ALA 21 HB2 ALA 21 1.608 -10.323 -0.481 179 HB3 ALA 21 HB3 ALA 21 3.351 -10.068 -0.388 180 H ALA 22 HN ALA 22 0.122 -10.838 1.571 181 HA ALA 22 HA ALA 22 -1.786 -8.808 1.558 182 HB1 ALA 22 HB1 ALA 22 -2.006 -11.520 2.852 183 HB2 ALA 22 HB2 ALA 22 -2.296 -11.173 1.148 184 HB3 ALA 22 HB3 ALA 22 -3.346 -10.476 2.381 185 H ALA 23 HN ALA 23 -0.036 -10.287 4.225 186 HA ALA 23 HA ALA 23 -1.530 -9.084 6.304 187 HB1 ALA 23 HB1 ALA 23 0.269 -9.815 7.766 188 HB2 ALA 23 HB2 ALA 23 1.289 -10.145 6.365 189 HB3 ALA 23 HB3 ALA 23 -0.175 -11.092 6.632 190 H LYS 24 HN LYS 24 0.780 -7.813 4.157 191 HA LYS 24 HA LYS 24 1.458 -5.618 5.985 192 HB2 LYS 24 HB2 LYS 24 2.658 -6.411 3.328 193 HB3 LYS 24 HB1 LYS 24 3.169 -5.024 4.280 194 HG2 LYS 24 HG2 LYS 24 3.843 -6.505 6.091 195 HG3 LYS 24 HG1 LYS 24 3.311 -7.902 5.153 196 HD2 LYS 24 HD2 LYS 24 4.944 -7.324 3.408 197 HD3 LYS 24 HD1 LYS 24 5.497 -5.968 4.391 198 HE2 LYS 24 HE2 LYS 24 6.977 -7.890 4.636 199 HE3 LYS 24 HE1 LYS 24 6.167 -7.514 6.155 200 HZ1 LYS 24 HZ1 LYS 24 4.633 -9.313 5.777 201 HZ2 LYS 24 HZ2 LYS 24 6.214 -9.902 5.659 202 HZ3 LYS 24 HZ3 LYS 24 5.309 -9.629 4.258 203 H GLY 25 HN GLY 25 -1.075 -5.427 5.333 204 HA2 GLY 25 HA2 GLY 25 -2.584 -3.871 4.606 205 HA3 GLY 25 HA1 GLY 25 -1.227 -2.894 4.070 206 H PHE 26 HN PHE 26 -1.749 -6.128 2.925 207 HA PHE 26 HA PHE 26 -2.705 -5.025 0.369 208 HB2 PHE 26 HB2 PHE 26 -0.342 -5.841 0.273 209 HB3 PHE 26 HB1 PHE 26 -0.912 -7.446 0.701 210 HD1 PHE 26 HD1 PHE 26 -1.871 -4.803 -1.747 211 HD2 PHE 26 HD2 PHE 26 -0.992 -8.905 -1.055 212 HE1 PHE 26 HE1 PHE 26 -2.232 -5.278 -4.138 213 HE2 PHE 26 HE2 PHE 26 -1.354 -9.393 -3.442 214 HZ PHE 26 HZ PHE 26 -1.974 -7.576 -4.985 215 H ALA 27 HN ALA 27 -4.064 -6.053 2.750 216 HA ALA 27 HA ALA 27 -5.191 -8.603 1.984 217 HB1 ALA 27 HB1 ALA 27 -5.870 -6.783 4.292 218 HB2 ALA 27 HB2 ALA 27 -4.763 -8.154 4.338 219 HB3 ALA 27 HB3 ALA 27 -6.483 -8.419 4.056 220 H TRP 28 HN TRP 28 -5.639 -6.941 -0.008 221 HA TRP 28 HA TRP 28 -7.220 -6.088 -1.405 222 HB2 TRP 28 HB2 TRP 28 -8.795 -8.308 -0.143 223 HB3 TRP 28 HB1 TRP 28 -9.016 -7.642 -1.747 224 HD1 TRP 28 HD1 TRP 28 -7.237 -8.350 -3.642 225 HE1 TRP 28 HE1 TRP 28 -5.602 -10.338 -3.785 226 HE3 TRP 28 HE3 TRP 28 -7.322 -9.809 1.244 227 HZ2 TRP 28 HZ2 TRP 28 -4.495 -12.267 -2.045 228 HZ3 TRP 28 HZ3 TRP 28 -5.946 -11.736 1.931 229 HH2 TRP 28 HH2 TRP 28 -4.565 -12.938 0.318 230 H ASN 29 HN ASN 29 -7.315 -4.283 0.429 231 HA ASN 29 HA ASN 29 -9.682 -4.010 1.913 232 HB2 ASN 29 HB2 ASN 29 -9.173 -1.533 1.894 233 HB3 ASN 29 HB1 ASN 29 -7.900 -2.551 2.539 234 HD21 ASN 29 HD21 ASN 29 -5.966 -2.695 1.446 235 HD22 ASN 29 HD22 ASN 29 -5.554 -1.663 0.122 236 H VAL 30 HN VAL 30 -11.663 -3.776 1.264 237 HA VAL 30 HA VAL 30 -12.281 -2.770 -1.387 238 HB VAL 30 HB VAL 30 -14.216 -3.569 0.790 239 HG11 VAL 30 HG11 VAL 30 -15.770 -3.914 -1.080 240 HG12 VAL 30 HG12 VAL 30 -14.535 -3.333 -2.199 241 HG13 VAL 30 HG13 VAL 30 -15.202 -2.248 -0.980 242 HG21 VAL 30 HG21 VAL 30 -12.764 -5.456 0.367 243 HG22 VAL 30 HG22 VAL 30 -13.017 -5.298 -1.373 244 HG23 VAL 30 HG23 VAL 30 -14.357 -5.761 -0.325 245 H CYS 31 HN CYS 31 -11.926 -0.643 -1.436 246 HA CYS 31 HA CYS 31 -12.835 1.001 0.803 247 HB2 CYS 31 HB2 CYS 31 -11.398 2.749 -0.546 248 HB3 CYS 31 HB1 CYS 31 -10.633 1.555 0.495 249 HG CYS 31 HG CYS 31 -9.324 0.261 -1.330 250 H VAL 32 HN VAL 32 -14.631 2.061 0.648 251 HA VAL 32 HA VAL 32 -15.353 3.346 -1.881 252 HB VAL 32 HB VAL 32 -17.820 2.785 -1.269 253 HG11 VAL 32 HG11 VAL 32 -17.739 0.787 -2.684 254 HG12 VAL 32 HG12 VAL 32 -15.988 0.729 -2.486 255 HG13 VAL 32 HG13 VAL 32 -16.736 2.094 -3.316 256 HG21 VAL 32 HG21 VAL 32 -17.354 1.698 0.864 257 HG22 VAL 32 HG22 VAL 32 -16.387 0.476 0.039 258 HG23 VAL 32 HG23 VAL 32 -18.122 0.575 -0.260 259 H TYR 33 HN TYR 33 -16.779 5.153 -1.602 260 HA TYR 33 HA TYR 33 -16.232 6.441 0.944 261 HB2 TYR 33 HB2 TYR 33 -17.319 7.501 -1.661 262 HB3 TYR 33 HB1 TYR 33 -17.211 8.477 -0.201 263 HD1 TYR 33 HD1 TYR 33 -15.205 9.530 0.398 264 HD2 TYR 33 HD2 TYR 33 -15.142 6.490 -2.581 265 HE1 TYR 33 HE1 TYR 33 -12.859 10.063 -0.088 266 HE2 TYR 33 HE2 TYR 33 -12.795 7.017 -3.076 267 HH TYR 33 HH TYR 33 -11.213 8.830 -2.832 268 H ARG 34 HN ARG 34 -17.591 5.392 2.326 269 HA ARG 34 HA ARG 34 -20.468 5.694 1.910 270 HB2 ARG 34 HB2 ARG 34 -18.884 4.234 4.051 271 HB3 ARG 34 HB1 ARG 34 -20.641 4.369 4.044 272 HG2 ARG 34 HG2 ARG 34 -20.640 3.245 1.812 273 HG3 ARG 34 HG1 ARG 34 -18.911 2.968 2.022 274 HD2 ARG 34 HD2 ARG 34 -20.109 0.992 2.697 275 HD3 ARG 34 HD1 ARG 34 -19.403 1.753 4.122 276 HE ARG 34 HE ARG 34 -22.128 2.533 3.585 277 HH11 ARG 34 HH11 ARG 34 -20.045 0.242 5.217 278 HH12 ARG 34 HH12 ARG 34 -21.248 -0.221 6.374 279 HH21 ARG 34 HH21 ARG 34 -23.725 1.915 5.099 280 HH22 ARG 34 HH22 ARG 34 -23.351 0.720 6.302 281 H ASN 35 HN ASN 35 -21.548 7.325 2.800 282 HA ASN 35 HA ASN 35 -22.008 9.245 3.923 283 HB2 ASN 35 HB2 ASN 35 -19.898 8.541 5.963 284 HB3 ASN 35 HB1 ASN 35 -21.324 9.544 6.181 285 HD21 ASN 35 HD21 ASN 35 -20.052 6.366 6.045 286 HD22 ASN 35 HD22 ASN 35 -21.462 5.538 6.630 287 H GLY 36 HN GLY 36 -19.644 8.873 2.043 288 HA2 GLY 36 HA2 GLY 36 -18.424 10.585 1.006 289 HA3 GLY 36 HA1 GLY 36 -18.576 11.550 2.465 290 H VAL 37 HN VAL 37 -17.668 8.730 3.745 291 HA VAL 37 HA VAL 37 -14.829 9.486 3.511 292 HB VAL 37 HB VAL 37 -15.624 9.684 5.776 293 HG11 VAL 37 HG11 VAL 37 -16.377 6.775 5.619 294 HG12 VAL 37 HG12 VAL 37 -17.498 8.134 5.695 295 HG13 VAL 37 HG13 VAL 37 -16.441 7.784 7.064 296 HG21 VAL 37 HG21 VAL 37 -13.862 7.267 5.452 297 HG22 VAL 37 HG22 VAL 37 -14.034 8.222 6.925 298 HG23 VAL 37 HG23 VAL 37 -13.338 8.950 5.478 299 H ARG 38 HN ARG 38 -13.349 8.119 2.881 300 HA ARG 38 HA ARG 38 -14.180 5.832 1.396 301 HB2 ARG 38 HB2 ARG 38 -12.335 7.312 0.681 302 HB3 ARG 38 HB1 ARG 38 -11.398 6.791 2.072 303 HG2 ARG 38 HG2 ARG 38 -11.247 4.560 1.215 304 HG3 ARG 38 HG1 ARG 38 -12.377 4.932 -0.087 305 HD2 ARG 38 HD2 ARG 38 -10.138 4.937 -0.967 306 HD3 ARG 38 HD1 ARG 38 -10.760 6.585 -0.962 307 HE ARG 38 HE ARG 38 -9.284 6.009 1.410 308 HH11 ARG 38 HH11 ARG 38 -8.963 6.887 -1.968 309 HH12 ARG 38 HH12 ARG 38 -7.382 7.574 -1.770 310 HH21 ARG 38 HH21 ARG 38 -7.212 6.935 1.672 311 HH22 ARG 38 HH22 ARG 38 -6.397 7.618 0.304 312 H VAL 39 HN VAL 39 -15.025 4.362 2.714 313 HA VAL 39 HA VAL 39 -13.614 3.404 5.061 314 HB VAL 39 HB VAL 39 -16.127 3.799 4.913 315 HG11 VAL 39 HG11 VAL 39 -16.544 2.813 2.776 316 HG12 VAL 39 HG12 VAL 39 -17.458 1.950 4.012 317 HG13 VAL 39 HG13 VAL 39 -15.983 1.246 3.353 318 HG21 VAL 39 HG21 VAL 39 -16.692 1.876 6.295 319 HG22 VAL 39 HG22 VAL 39 -15.144 2.585 6.763 320 HG23 VAL 39 HG23 VAL 39 -15.183 1.092 5.825 321 H CYS 40 HN CYS 40 -12.737 1.360 5.260 322 HA CYS 40 HA CYS 40 -12.577 -0.203 2.780 323 HB2 CYS 40 HB2 CYS 40 -10.238 0.291 4.620 324 HB3 CYS 40 HB1 CYS 40 -10.217 -0.492 3.049 325 HG CYS 40 HG CYS 40 -11.081 2.792 3.403 326 H HIS 41 HN HIS 41 -12.737 -2.356 3.020 327 HA HIS 41 HA HIS 41 -12.261 -3.512 5.670 328 HB2 HIS 41 HB2 HIS 41 -14.145 -5.122 5.260 329 HB3 HIS 41 HB1 HIS 41 -14.636 -3.478 5.606 330 HD1 HIS 41 HD1 HIS 41 -15.088 -6.200 3.257 331 HD2 HIS 41 HD2 HIS 41 -15.512 -2.067 3.160 332 HE1 HIS 41 HE1 HIS 41 -16.579 -5.722 1.302 333 HE2 HIS 41 HE2 HIS 41 -16.987 -3.239 1.390 334 H ARG 42 HN ARG 42 -11.816 -5.818 5.591 335 HA ARG 42 HA ARG 42 -10.168 -6.316 3.222 336 HB2 ARG 42 HB2 ARG 42 -8.891 -7.891 4.553 337 HB3 ARG 42 HB1 ARG 42 -8.987 -6.346 5.377 338 HG2 ARG 42 HG2 ARG 42 -10.881 -8.558 6.063 339 HG3 ARG 42 HG1 ARG 42 -9.249 -8.523 6.730 340 HD2 ARG 42 HD2 ARG 42 -11.358 -6.390 7.020 341 HD3 ARG 42 HD1 ARG 42 -10.803 -7.492 8.274 342 HE ARG 42 HE ARG 42 -8.529 -6.252 7.566 343 HH11 ARG 42 HH11 ARG 42 -11.698 -5.025 8.421 344 HH12 ARG 42 HH12 ARG 42 -11.085 -3.529 9.054 345 HH21 ARG 42 HH21 ARG 42 -7.726 -4.284 8.391 346 HH22 ARG 42 HH22 ARG 42 -8.827 -3.106 9.035 347 H ARG 43 HN ARG 43 -10.379 -8.053 1.947 348 HA ARG 43 HA ARG 43 -12.886 -9.383 1.914 349 HB2 ARG 43 HB2 ARG 43 -10.380 -9.866 0.305 350 HB3 ARG 43 HB1 ARG 43 -11.921 -10.651 -0.000 351 HG2 ARG 43 HG2 ARG 43 -12.927 -8.422 -0.374 352 HG3 ARG 43 HG1 ARG 43 -11.320 -7.712 -0.196 353 HD2 ARG 43 HD2 ARG 43 -11.904 -8.016 -2.550 354 HD3 ARG 43 HD1 ARG 43 -10.520 -9.008 -2.096 355 HE ARG 43 HE ARG 43 -12.874 -10.517 -1.813 356 HH11 ARG 43 HH11 ARG 43 -10.880 -9.112 -4.325 357 HH12 ARG 43 HH12 ARG 43 -11.273 -10.333 -5.494 358 HH21 ARG 43 HH21 ARG 43 -13.385 -12.128 -3.345 359 HH22 ARG 43 HH22 ARG 43 -12.694 -12.054 -4.934 360 H ALA 44 HN ALA 44 -13.356 -11.504 2.267 361 HA ALA 44 HA ALA 44 -11.632 -12.802 4.219 362 HB1 ALA 44 HB1 ALA 44 -13.575 -14.243 4.655 363 HB2 ALA 44 HB2 ALA 44 -14.453 -13.423 3.366 364 HB3 ALA 44 HB3 ALA 44 -13.968 -12.530 4.804 365 H ASN 45 HN ASN 45 -10.104 -13.231 2.390 366 HA ASN 45 HA ASN 45 -10.620 -15.922 1.414 367 HB2 ASN 45 HB2 ASN 45 -9.500 -15.205 -0.817 368 HB3 ASN 45 HB1 ASN 45 -11.206 -14.875 -0.570 369 HD21 ASN 45 HD21 ASN 45 -8.441 -13.088 0.722 370 HD22 ASN 45 HD22 ASN 45 -8.808 -11.605 -0.100 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 9.198 -9.395 -20.671 2 H2 ARG 1 HT2 ARG 1 9.901 -8.215 -19.691 3 H3 ARG 1 HT3 ARG 1 8.524 -9.039 -19.163 4 HA ARG 1 HA ARG 1 11.191 -10.223 -19.627 5 HB2 ARG 1 HB2 ARG 1 9.680 -9.597 -17.092 6 HB3 ARG 1 HB1 ARG 1 11.097 -10.632 -17.148 7 HG2 ARG 1 HG2 ARG 1 11.037 -7.745 -17.993 8 HG3 ARG 1 HG1 ARG 1 11.610 -8.338 -16.434 9 HD2 ARG 1 HD2 ARG 1 13.324 -9.662 -17.577 10 HD3 ARG 1 HD1 ARG 1 12.750 -9.061 -19.130 11 HE ARG 1 HE ARG 1 13.311 -6.795 -17.789 12 HH11 ARG 1 HH11 ARG 1 15.143 -9.713 -18.401 13 HH12 ARG 1 HH12 ARG 1 16.679 -8.905 -18.376 14 HH21 ARG 1 HH21 ARG 1 15.333 -5.730 -17.766 15 HH22 ARG 1 HH22 ARG 1 16.786 -6.648 -18.009 16 H VAL 2 HN VAL 2 7.878 -10.750 -18.455 17 HA VAL 2 HA VAL 2 8.147 -13.558 -18.229 18 HB VAL 2 HB VAL 2 5.657 -13.615 -18.208 19 HG11 VAL 2 HG11 VAL 2 5.397 -12.331 -16.126 20 HG12 VAL 2 HG12 VAL 2 6.941 -11.538 -16.438 21 HG13 VAL 2 HG13 VAL 2 6.887 -13.275 -16.143 22 HG21 VAL 2 HG21 VAL 2 4.402 -11.523 -18.219 23 HG22 VAL 2 HG22 VAL 2 5.236 -11.760 -19.754 24 HG23 VAL 2 HG23 VAL 2 5.880 -10.629 -18.569 25 H GLN 3 HN GLN 3 7.977 -15.141 -19.687 26 HA GLN 3 HA GLN 3 7.365 -14.356 -22.456 27 HB2 GLN 3 HB2 GLN 3 8.725 -16.305 -23.140 28 HB3 GLN 3 HB1 GLN 3 9.647 -15.135 -22.209 29 HG2 GLN 3 HG2 GLN 3 9.448 -16.531 -20.228 30 HG3 GLN 3 HG1 GLN 3 8.480 -17.692 -21.132 31 HE21 GLN 3 HE21 GLN 3 10.077 -17.440 -23.549 32 HE22 GLN 3 HE22 GLN 3 11.559 -18.274 -23.235 33 H GLY 4 HN GLY 4 6.704 -16.515 -23.747 34 HA2 GLY 4 HA2 GLY 4 4.104 -17.137 -22.889 35 HA3 GLY 4 HA1 GLY 4 4.992 -17.992 -24.142 36 H ARG 5 HN ARG 5 7.042 -19.124 -22.814 37 HA ARG 5 HA ARG 5 5.945 -21.398 -21.624 38 HB2 ARG 5 HB2 ARG 5 8.166 -21.313 -22.702 39 HB3 ARG 5 HB1 ARG 5 8.764 -20.315 -21.389 40 HG2 ARG 5 HG2 ARG 5 7.615 -22.985 -20.744 41 HG3 ARG 5 HG1 ARG 5 9.222 -22.896 -21.465 42 HD2 ARG 5 HD2 ARG 5 8.350 -21.478 -18.946 43 HD3 ARG 5 HD1 ARG 5 9.294 -22.966 -19.003 44 HE ARG 5 HE ARG 5 10.565 -20.931 -20.511 45 HH11 ARG 5 HH11 ARG 5 9.944 -21.905 -17.209 46 HH12 ARG 5 HH12 ARG 5 11.382 -21.162 -16.583 47 HH21 ARG 5 HH21 ARG 5 12.459 -19.941 -19.682 48 HH22 ARG 5 HH22 ARG 5 12.805 -20.047 -17.984 49 H TRP 6 HN TRP 6 7.094 -18.407 -20.241 50 HA TRP 6 HA TRP 6 7.055 -19.383 -17.532 51 HB2 TRP 6 HB2 TRP 6 8.661 -17.651 -18.254 52 HB3 TRP 6 HB1 TRP 6 7.323 -16.559 -18.593 53 HD1 TRP 6 HD1 TRP 6 6.100 -15.426 -16.501 54 HE1 TRP 6 HE1 TRP 6 6.803 -15.128 -14.043 55 HE3 TRP 6 HE3 TRP 6 9.948 -18.789 -16.348 56 HZ2 TRP 6 HZ2 TRP 6 8.737 -16.177 -12.278 57 HZ3 TRP 6 HZ3 TRP 6 11.175 -19.075 -14.235 58 HH2 TRP 6 HH2 TRP 6 10.580 -17.793 -12.246 59 H LYS 7 HN LYS 7 4.867 -17.802 -19.712 60 HA LYS 7 HA LYS 7 3.222 -16.537 -17.811 61 HB2 LYS 7 HB2 LYS 7 3.294 -16.130 -20.330 62 HB3 LYS 7 HB1 LYS 7 2.255 -17.542 -20.479 63 HG2 LYS 7 HG2 LYS 7 0.590 -16.458 -19.040 64 HG3 LYS 7 HG1 LYS 7 1.625 -15.033 -18.935 65 HD2 LYS 7 HD2 LYS 7 1.476 -14.799 -21.393 66 HD3 LYS 7 HD1 LYS 7 0.356 -16.161 -21.428 67 HE2 LYS 7 HE2 LYS 7 -0.050 -13.501 -20.070 68 HE3 LYS 7 HE1 LYS 7 -0.905 -14.114 -21.484 69 HZ1 LYS 7 HZ1 LYS 7 -1.071 -15.150 -18.707 70 HZ2 LYS 7 HZ2 LYS 7 -1.760 -15.924 -20.040 71 HZ3 LYS 7 HZ3 LYS 7 -2.295 -14.390 -19.589 72 H VAL 8 HN VAL 8 3.494 -19.823 -18.775 73 HA VAL 8 HA VAL 8 0.974 -20.783 -17.955 74 HB VAL 8 HB VAL 8 3.623 -22.228 -17.710 75 HG11 VAL 8 HG11 VAL 8 2.268 -24.256 -17.944 76 HG12 VAL 8 HG12 VAL 8 0.806 -23.271 -17.975 77 HG13 VAL 8 HG13 VAL 8 1.804 -23.321 -16.522 78 HG21 VAL 8 HG21 VAL 8 3.353 -21.384 -19.976 79 HG22 VAL 8 HG22 VAL 8 1.738 -22.086 -20.064 80 HG23 VAL 8 HG23 VAL 8 3.150 -23.135 -19.944 81 H ARG 9 HN ARG 9 3.944 -20.056 -16.224 82 HA ARG 9 HA ARG 9 2.910 -20.964 -13.683 83 HB2 ARG 9 HB2 ARG 9 5.361 -19.268 -14.201 84 HB3 ARG 9 HB1 ARG 9 5.006 -20.212 -12.761 85 HG2 ARG 9 HG2 ARG 9 5.600 -21.298 -15.505 86 HG3 ARG 9 HG1 ARG 9 6.677 -21.322 -14.108 87 HD2 ARG 9 HD2 ARG 9 4.006 -22.714 -14.288 88 HD3 ARG 9 HD1 ARG 9 5.577 -23.488 -14.476 89 HE ARG 9 HE ARG 9 5.669 -22.231 -12.038 90 HH11 ARG 9 HH11 ARG 9 3.645 -24.667 -13.526 91 HH12 ARG 9 HH12 ARG 9 3.303 -25.476 -12.030 92 HH21 ARG 9 HH21 ARG 9 5.231 -23.296 -10.077 93 HH22 ARG 9 HH22 ARG 9 4.211 -24.701 -10.067 94 H ALA 10 HN ALA 10 3.000 -18.082 -15.557 95 HA ALA 10 HA ALA 10 2.357 -16.325 -13.346 96 HB1 ALA 10 HB1 ALA 10 2.415 -14.543 -14.942 97 HB2 ALA 10 HB2 ALA 10 2.366 -15.679 -16.287 98 HB3 ALA 10 HB3 ALA 10 3.791 -15.600 -15.251 99 H SER 11 HN SER 11 0.617 -18.508 -15.069 100 HA SER 11 HA SER 11 -1.858 -16.952 -14.748 101 HB2 SER 11 HB2 SER 11 -2.833 -18.795 -16.262 102 HB3 SER 11 HB1 SER 11 -1.779 -17.599 -17.013 103 HG SER 11 HG SER 11 -0.148 -19.061 -17.086 104 H PHE 12 HN PHE 12 -0.343 -20.106 -14.210 105 HA PHE 12 HA PHE 12 -2.436 -20.883 -12.360 106 HB2 PHE 12 HB2 PHE 12 0.127 -22.212 -13.241 107 HB3 PHE 12 HB1 PHE 12 -0.892 -22.875 -11.968 108 HD1 PHE 12 HD1 PHE 12 -0.374 -22.572 -15.505 109 HD2 PHE 12 HD2 PHE 12 -3.258 -23.502 -12.520 110 HE1 PHE 12 HE1 PHE 12 -1.753 -23.710 -17.198 111 HE2 PHE 12 HE2 PHE 12 -4.642 -24.642 -14.203 112 HZ PHE 12 HZ PHE 12 -3.889 -24.747 -16.547 113 H PHE 13 HN PHE 13 -0.491 -18.548 -12.009 114 HA PHE 13 HA PHE 13 1.211 -19.065 -9.845 115 HB2 PHE 13 HB2 PHE 13 1.363 -16.691 -9.552 116 HB3 PHE 13 HB1 PHE 13 1.252 -16.999 -11.279 117 HD1 PHE 13 HD1 PHE 13 -1.004 -16.677 -12.407 118 HD2 PHE 13 HD2 PHE 13 -0.149 -15.270 -8.484 119 HE1 PHE 13 HE1 PHE 13 -2.896 -15.115 -12.560 120 HE2 PHE 13 HE2 PHE 13 -2.043 -13.706 -8.629 121 HZ PHE 13 HZ PHE 13 -3.417 -13.629 -10.666 122 H LYS 14 HN LYS 14 -2.187 -18.516 -10.044 123 HA LYS 14 HA LYS 14 -2.811 -17.773 -7.426 124 HB2 LYS 14 HB2 LYS 14 -4.443 -19.574 -9.220 125 HB3 LYS 14 HB1 LYS 14 -5.045 -18.577 -7.905 126 HG2 LYS 14 HG2 LYS 14 -4.574 -16.573 -9.116 127 HG3 LYS 14 HG1 LYS 14 -3.733 -17.475 -10.378 128 HD2 LYS 14 HD2 LYS 14 -6.675 -17.632 -9.717 129 HD3 LYS 14 HD1 LYS 14 -5.957 -16.859 -11.131 130 HE2 LYS 14 HE2 LYS 14 -5.023 -19.078 -11.779 131 HE3 LYS 14 HE1 LYS 14 -5.922 -19.795 -10.446 132 HZ1 LYS 14 HZ1 LYS 14 -7.084 -18.372 -12.773 133 HZ2 LYS 14 HZ2 LYS 14 -7.971 -18.987 -11.472 134 HZ3 LYS 14 HZ3 LYS 14 -7.128 -20.039 -12.493 135 H GLU 15 HN GLU 15 -1.980 -20.830 -8.828 136 HA GLU 15 HA GLU 15 -2.653 -22.292 -6.408 137 HB2 GLU 15 HB2 GLU 15 -1.514 -23.210 -9.051 138 HB3 GLU 15 HB1 GLU 15 -1.948 -24.272 -7.718 139 HG2 GLU 15 HG2 GLU 15 -3.839 -22.487 -9.234 140 HG3 GLU 15 HG1 GLU 15 -3.673 -24.232 -9.435 141 H ALA 16 HN ALA 16 0.175 -21.382 -8.314 142 HA ALA 16 HA ALA 16 1.935 -22.908 -6.624 143 HB1 ALA 16 HB1 ALA 16 3.686 -22.257 -8.171 144 HB2 ALA 16 HB2 ALA 16 2.586 -21.122 -8.955 145 HB3 ALA 16 HB3 ALA 16 2.272 -22.856 -9.040 146 H ALA 17 HN ALA 17 2.098 -19.489 -7.680 147 HA ALA 17 HA ALA 17 3.797 -19.007 -5.339 148 HB1 ALA 17 HB1 ALA 17 4.780 -18.564 -7.537 149 HB2 ALA 17 HB2 ALA 17 4.682 -17.104 -6.552 150 HB3 ALA 17 HB3 ALA 17 3.521 -17.370 -7.853 151 H ALA 18 HN ALA 18 0.735 -18.895 -5.511 152 HA ALA 18 HA ALA 18 -0.129 -16.240 -5.418 153 HB1 ALA 18 HB1 ALA 18 -1.364 -18.595 -4.017 154 HB2 ALA 18 HB2 ALA 18 -1.613 -18.174 -5.709 155 HB3 ALA 18 HB3 ALA 18 -2.165 -17.081 -4.439 156 H LYS 19 HN LYS 19 1.495 -18.130 -3.056 157 HA LYS 19 HA LYS 19 0.656 -16.783 -0.726 158 HB2 LYS 19 HB2 LYS 19 2.693 -17.784 0.302 159 HB3 LYS 19 HB1 LYS 19 1.664 -18.935 -0.535 160 HG2 LYS 19 HG2 LYS 19 3.201 -18.767 -2.497 161 HG3 LYS 19 HG1 LYS 19 4.272 -17.786 -1.497 162 HD2 LYS 19 HD2 LYS 19 5.001 -20.110 -1.508 163 HD3 LYS 19 HD1 LYS 19 4.459 -19.641 0.105 164 HE2 LYS 19 HE2 LYS 19 2.328 -20.741 -0.260 165 HE3 LYS 19 HE1 LYS 19 2.786 -21.130 -1.915 166 HZ1 LYS 19 HZ1 LYS 19 3.057 -23.021 -0.441 167 HZ2 LYS 19 HZ2 LYS 19 4.130 -22.146 0.528 168 HZ3 LYS 19 HZ3 LYS 19 4.552 -22.533 -1.063 169 H GLU 20 HN GLU 20 2.302 -15.517 -3.277 170 HA GLU 20 HA GLU 20 4.228 -13.892 -1.960 171 HB2 GLU 20 HB2 GLU 20 4.279 -12.615 -4.072 172 HB3 GLU 20 HB1 GLU 20 4.436 -14.341 -4.330 173 HG2 GLU 20 HG2 GLU 20 2.977 -13.822 -5.994 174 HG3 GLU 20 HG1 GLU 20 1.839 -14.192 -4.700 175 H ALA 21 HN ALA 21 0.836 -13.760 -2.158 176 HA ALA 21 HA ALA 21 0.454 -10.962 -1.997 177 HB1 ALA 21 HB1 ALA 21 -1.352 -13.141 -0.956 178 HB2 ALA 21 HB2 ALA 21 -1.326 -12.551 -2.616 179 HB3 ALA 21 HB3 ALA 21 -1.805 -11.474 -1.305 180 H ALA 22 HN ALA 22 0.816 -13.496 0.442 181 HA ALA 22 HA ALA 22 0.418 -11.752 2.665 182 HB1 ALA 22 HB1 ALA 22 1.166 -13.635 4.024 183 HB2 ALA 22 HB2 ALA 22 1.694 -14.478 2.569 184 HB3 ALA 22 HB3 ALA 22 -0.018 -14.145 2.822 185 H ALA 23 HN ALA 23 2.916 -11.920 0.523 186 HA ALA 23 HA ALA 23 4.980 -11.249 2.472 187 HB1 ALA 23 HB1 ALA 23 6.519 -11.293 0.573 188 HB2 ALA 23 HB2 ALA 23 5.165 -11.553 -0.525 189 HB3 ALA 23 HB3 ALA 23 5.583 -12.784 0.666 190 H LYS 24 HN LYS 24 2.531 -9.684 0.990 191 HA LYS 24 HA LYS 24 3.545 -7.096 1.532 192 HB2 LYS 24 HB2 LYS 24 3.381 -6.262 -0.863 193 HB3 LYS 24 HB1 LYS 24 4.798 -7.228 -0.469 194 HG2 LYS 24 HG2 LYS 24 3.811 -9.168 -1.516 195 HG3 LYS 24 HG1 LYS 24 2.326 -8.269 -1.832 196 HD2 LYS 24 HD2 LYS 24 3.530 -6.756 -3.301 197 HD3 LYS 24 HD1 LYS 24 5.044 -7.589 -2.942 198 HE2 LYS 24 HE2 LYS 24 4.034 -8.270 -5.100 199 HE3 LYS 24 HE1 LYS 24 4.248 -9.604 -3.967 200 HZ1 LYS 24 HZ1 LYS 24 1.714 -8.171 -4.548 201 HZ2 LYS 24 HZ2 LYS 24 1.892 -9.357 -3.357 202 HZ3 LYS 24 HZ3 LYS 24 2.103 -9.762 -4.987 203 H GLY 25 HN GLY 25 1.351 -8.115 2.536 204 HA2 GLY 25 HA2 GLY 25 -0.722 -7.097 2.955 205 HA3 GLY 25 HA1 GLY 25 -0.676 -6.394 1.351 206 H PHE 26 HN PHE 26 -1.476 -9.245 3.219 207 HA PHE 26 HA PHE 26 -2.746 -10.457 0.873 208 HB2 PHE 26 HB2 PHE 26 -3.089 -12.438 2.299 209 HB3 PHE 26 HB1 PHE 26 -1.398 -11.970 2.248 210 HD1 PHE 26 HD1 PHE 26 -0.365 -10.867 4.225 211 HD2 PHE 26 HD2 PHE 26 -4.316 -12.447 4.324 212 HE1 PHE 26 HE1 PHE 26 -0.310 -10.850 6.682 213 HE2 PHE 26 HE2 PHE 26 -4.267 -12.425 6.782 214 HZ PHE 26 HZ PHE 26 -2.261 -11.627 7.964 215 H ALA 27 HN ALA 27 -3.575 -8.065 2.539 216 HA ALA 27 HA ALA 27 -6.339 -8.912 3.056 217 HB1 ALA 27 HB1 ALA 27 -4.757 -6.875 4.626 218 HB2 ALA 27 HB2 ALA 27 -5.176 -8.496 5.177 219 HB3 ALA 27 HB3 ALA 27 -6.446 -7.306 4.893 220 H TRP 28 HN TRP 28 -6.245 -8.261 0.702 221 HA TRP 28 HA TRP 28 -5.967 -5.673 -0.218 222 HB2 TRP 28 HB2 TRP 28 -8.132 -7.561 -1.156 223 HB3 TRP 28 HB1 TRP 28 -7.314 -6.317 -2.089 224 HD1 TRP 28 HD1 TRP 28 -4.775 -6.853 -2.890 225 HE1 TRP 28 HE1 TRP 28 -3.565 -9.097 -3.255 226 HE3 TRP 28 HE3 TRP 28 -7.960 -9.910 -0.327 227 HZ2 TRP 28 HZ2 TRP 28 -3.922 -11.807 -2.546 228 HZ3 TRP 28 HZ3 TRP 28 -7.459 -12.316 -0.217 229 HH2 TRP 28 HH2 TRP 28 -5.479 -13.244 -1.308 230 H ASN 29 HN ASN 29 -7.256 -3.864 -0.268 231 HA ASN 29 HA ASN 29 -9.364 -3.844 1.736 232 HB2 ASN 29 HB2 ASN 29 -9.301 -1.377 1.489 233 HB3 ASN 29 HB1 ASN 29 -7.743 -2.052 1.933 234 HD21 ASN 29 HD21 ASN 29 -6.065 -2.005 0.429 235 HD22 ASN 29 HD22 ASN 29 -6.122 -1.007 -0.981 236 H VAL 30 HN VAL 30 -11.435 -3.870 1.291 237 HA VAL 30 HA VAL 30 -12.362 -3.133 -1.395 238 HB VAL 30 HB VAL 30 -14.107 -4.172 0.831 239 HG11 VAL 30 HG11 VAL 30 -15.235 -3.191 -1.076 240 HG12 VAL 30 HG12 VAL 30 -15.515 -4.931 -1.026 241 HG13 VAL 30 HG13 VAL 30 -14.357 -4.257 -2.173 242 HG21 VAL 30 HG21 VAL 30 -12.345 -5.809 0.612 243 HG22 VAL 30 HG22 VAL 30 -12.547 -5.837 -1.141 244 HG23 VAL 30 HG23 VAL 30 -13.832 -6.442 -0.094 245 H CYS 31 HN CYS 31 -12.447 -0.971 -1.444 246 HA CYS 31 HA CYS 31 -13.368 0.450 0.946 247 HB2 CYS 31 HB2 CYS 31 -12.277 2.409 -0.455 248 HB3 CYS 31 HB1 CYS 31 -11.294 1.312 0.514 249 HG CYS 31 HG CYS 31 -9.899 0.313 -1.408 250 H VAL 32 HN VAL 32 -15.170 1.657 0.963 251 HA VAL 32 HA VAL 32 -16.251 2.563 -1.620 252 HB VAL 32 HB VAL 32 -18.536 2.050 -1.014 253 HG11 VAL 32 HG11 VAL 32 -17.314 0.320 -2.216 254 HG12 VAL 32 HG12 VAL 32 -18.511 -0.386 -1.131 255 HG13 VAL 32 HG13 VAL 32 -16.806 -0.395 -0.687 256 HG21 VAL 32 HG21 VAL 32 -18.359 2.290 1.399 257 HG22 VAL 32 HG22 VAL 32 -17.429 0.795 1.490 258 HG23 VAL 32 HG23 VAL 32 -19.114 0.755 0.971 259 H TYR 33 HN TYR 33 -17.867 4.345 -1.267 260 HA TYR 33 HA TYR 33 -16.728 6.043 0.817 261 HB2 TYR 33 HB2 TYR 33 -18.302 6.830 -1.641 262 HB3 TYR 33 HB1 TYR 33 -17.554 7.939 -0.496 263 HD1 TYR 33 HD1 TYR 33 -14.941 7.275 -0.055 264 HD2 TYR 33 HD2 TYR 33 -17.142 6.553 -3.622 265 HE1 TYR 33 HE1 TYR 33 -12.841 7.183 -1.326 266 HE2 TYR 33 HE2 TYR 33 -15.049 6.466 -4.899 267 HH TYR 33 HH TYR 33 -12.739 7.269 -4.716 268 H ARG 34 HN ARG 34 -17.788 6.011 2.612 269 HA ARG 34 HA ARG 34 -20.725 6.219 2.554 270 HB2 ARG 34 HB2 ARG 34 -18.874 5.163 4.705 271 HB3 ARG 34 HB1 ARG 34 -20.596 5.433 4.937 272 HG2 ARG 34 HG2 ARG 34 -21.071 3.798 3.169 273 HG3 ARG 34 HG1 ARG 34 -19.339 3.511 2.991 274 HD2 ARG 34 HD2 ARG 34 -19.217 2.736 5.293 275 HD3 ARG 34 HD1 ARG 34 -20.930 3.078 5.518 276 HE ARG 34 HE ARG 34 -20.653 1.328 3.354 277 HH11 ARG 34 HH11 ARG 34 -20.171 1.354 6.817 278 HH12 ARG 34 HH12 ARG 34 -20.521 -0.334 7.007 279 HH21 ARG 34 HH21 ARG 34 -21.109 -0.899 3.596 280 HH22 ARG 34 HH22 ARG 34 -21.048 -1.617 5.173 281 H ASN 35 HN ASN 35 -21.395 8.226 2.896 282 HA ASN 35 HA ASN 35 -21.539 10.372 3.641 283 HB2 ASN 35 HB2 ASN 35 -21.411 9.141 5.873 284 HB3 ASN 35 HB1 ASN 35 -19.705 9.554 5.904 285 HD21 ASN 35 HD21 ASN 35 -19.090 11.651 6.300 286 HD22 ASN 35 HD22 ASN 35 -20.188 12.852 6.891 287 H GLY 36 HN GLY 36 -19.474 9.564 1.783 288 HA2 GLY 36 HA2 GLY 36 -17.887 10.788 0.606 289 HA3 GLY 36 HA1 GLY 36 -17.840 11.945 1.928 290 H VAL 37 HN VAL 37 -17.480 9.222 3.562 291 HA VAL 37 HA VAL 37 -14.557 9.433 3.493 292 HB VAL 37 HB VAL 37 -16.280 8.016 5.532 293 HG11 VAL 37 HG11 VAL 37 -13.982 7.228 5.481 294 HG12 VAL 37 HG12 VAL 37 -14.293 8.143 6.955 295 HG13 VAL 37 HG13 VAL 37 -13.396 8.884 5.629 296 HG21 VAL 37 HG21 VAL 37 -15.924 9.977 6.967 297 HG22 VAL 37 HG22 VAL 37 -16.833 10.382 5.512 298 HG23 VAL 37 HG23 VAL 37 -15.124 10.801 5.628 299 H ARG 38 HN ARG 38 -13.248 7.774 3.035 300 HA ARG 38 HA ARG 38 -14.423 5.587 1.546 301 HB2 ARG 38 HB2 ARG 38 -12.524 6.848 0.635 302 HB3 ARG 38 HB1 ARG 38 -11.539 6.359 2.004 303 HG2 ARG 38 HG2 ARG 38 -11.789 4.007 1.305 304 HG3 ARG 38 HG1 ARG 38 -12.699 4.550 -0.107 305 HD2 ARG 38 HD2 ARG 38 -10.387 4.131 -0.704 306 HD3 ARG 38 HD1 ARG 38 -10.754 5.847 -0.847 307 HE ARG 38 HE ARG 38 -9.744 5.656 1.650 308 HH11 ARG 38 HH11 ARG 38 -8.577 4.511 -1.443 309 HH12 ARG 38 HH12 ARG 38 -6.907 4.718 -1.028 310 HH21 ARG 38 HH21 ARG 38 -7.550 5.929 2.200 311 HH22 ARG 38 HH22 ARG 38 -6.321 5.533 1.038 312 H VAL 39 HN VAL 39 -15.216 4.055 2.888 313 HA VAL 39 HA VAL 39 -13.669 3.106 5.145 314 HB VAL 39 HB VAL 39 -15.574 1.939 5.795 315 HG11 VAL 39 HG11 VAL 39 -15.886 4.359 5.860 316 HG12 VAL 39 HG12 VAL 39 -17.413 3.504 5.636 317 HG13 VAL 39 HG13 VAL 39 -16.629 4.285 4.260 318 HG21 VAL 39 HG21 VAL 39 -16.623 2.124 2.983 319 HG22 VAL 39 HG22 VAL 39 -17.484 1.413 4.347 320 HG23 VAL 39 HG23 VAL 39 -15.991 0.674 3.764 321 H CYS 40 HN CYS 40 -12.783 1.046 5.296 322 HA CYS 40 HA CYS 40 -12.664 -0.457 2.775 323 HB2 CYS 40 HB2 CYS 40 -10.249 0.123 4.484 324 HB3 CYS 40 HB1 CYS 40 -10.276 -0.687 2.930 325 HG CYS 40 HG CYS 40 -11.075 2.609 3.390 326 H HIS 41 HN HIS 41 -13.118 -2.527 3.085 327 HA HIS 41 HA HIS 41 -12.444 -3.703 5.698 328 HB2 HIS 41 HB2 HIS 41 -14.260 -5.357 5.333 329 HB3 HIS 41 HB1 HIS 41 -14.836 -3.715 5.531 330 HD1 HIS 41 HD1 HIS 41 -15.155 -6.627 3.422 331 HD2 HIS 41 HD2 HIS 41 -15.620 -2.525 2.935 332 HE1 HIS 41 HE1 HIS 41 -16.553 -6.348 1.353 333 HE2 HIS 41 HE2 HIS 41 -16.962 -3.869 1.180 334 H ARG 42 HN ARG 42 -12.076 -6.072 5.607 335 HA ARG 42 HA ARG 42 -9.899 -6.424 3.773 336 HB2 ARG 42 HB2 ARG 42 -11.001 -8.197 5.952 337 HB3 ARG 42 HB1 ARG 42 -9.563 -8.573 5.013 338 HG2 ARG 42 HG2 ARG 42 -8.448 -6.607 5.860 339 HG3 ARG 42 HG1 ARG 42 -9.906 -6.119 6.723 340 HD2 ARG 42 HD2 ARG 42 -8.294 -7.170 8.221 341 HD3 ARG 42 HD1 ARG 42 -9.772 -8.116 8.104 342 HE ARG 42 HE ARG 42 -8.291 -9.361 6.309 343 HH11 ARG 42 HH11 ARG 42 -7.363 -8.177 9.469 344 HH12 ARG 42 HH12 ARG 42 -6.192 -9.426 9.733 345 HH21 ARG 42 HH21 ARG 42 -6.748 -11.014 6.662 346 HH22 ARG 42 HH22 ARG 42 -5.840 -11.032 8.143 347 H ARG 43 HN ARG 43 -10.055 -7.223 1.833 348 HA ARG 43 HA ARG 43 -12.309 -8.632 0.834 349 HB2 ARG 43 HB2 ARG 43 -10.619 -7.217 -0.463 350 HB3 ARG 43 HB1 ARG 43 -9.546 -8.597 -0.342 351 HG2 ARG 43 HG2 ARG 43 -11.089 -9.965 -1.602 352 HG3 ARG 43 HG1 ARG 43 -12.235 -8.623 -1.676 353 HD2 ARG 43 HD2 ARG 43 -10.569 -7.286 -2.885 354 HD3 ARG 43 HD1 ARG 43 -9.454 -8.647 -2.841 355 HE ARG 43 HE ARG 43 -11.629 -9.696 -4.046 356 HH11 ARG 43 HH11 ARG 43 -9.790 -6.772 -4.625 357 HH12 ARG 43 HH12 ARG 43 -10.060 -6.787 -6.339 358 HH21 ARG 43 HH21 ARG 43 -11.979 -9.721 -6.312 359 HH22 ARG 43 HH22 ARG 43 -11.317 -8.453 -7.292 360 H ALA 44 HN ALA 44 -12.720 -10.728 0.860 361 HA ALA 44 HA ALA 44 -10.594 -12.565 1.731 362 HB1 ALA 44 HB1 ALA 44 -12.253 -12.214 3.497 363 HB2 ALA 44 HB2 ALA 44 -12.276 -13.876 2.906 364 HB3 ALA 44 HB3 ALA 44 -13.528 -12.743 2.399 365 H ASN 45 HN ASN 45 -12.329 -11.672 -0.804 366 HA ASN 45 HA ASN 45 -13.018 -12.568 -2.767 367 HB2 ASN 45 HB2 ASN 45 -10.854 -14.542 -2.030 368 HB3 ASN 45 HB1 ASN 45 -11.652 -14.515 -3.599 369 HD21 ASN 45 HD21 ASN 45 -8.864 -14.111 -2.992 370 HD22 ASN 45 HD22 ASN 45 -8.456 -12.532 -3.574 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 6.170 -27.046 -8.333 2 H2 ARG 1 HT2 ARG 1 7.056 -28.466 -8.122 3 H3 ARG 1 HT3 ARG 1 6.645 -27.952 -9.678 4 HA ARG 1 HA ARG 1 8.959 -27.491 -9.209 5 HB2 ARG 1 HB2 ARG 1 7.215 -25.018 -9.303 6 HB3 ARG 1 HB1 ARG 1 8.926 -25.056 -9.691 7 HG2 ARG 1 HG2 ARG 1 6.729 -26.478 -11.178 8 HG3 ARG 1 HG1 ARG 1 7.596 -25.037 -11.709 9 HD2 ARG 1 HD2 ARG 1 9.700 -26.372 -11.651 10 HD3 ARG 1 HD1 ARG 1 8.729 -27.802 -11.305 11 HE ARG 1 HE ARG 1 8.164 -26.245 -13.721 12 HH11 ARG 1 HH11 ARG 1 9.312 -29.223 -12.262 13 HH12 ARG 1 HH12 ARG 1 9.321 -30.090 -13.764 14 HH21 ARG 1 HH21 ARG 1 8.196 -27.389 -15.683 15 HH22 ARG 1 HH22 ARG 1 8.695 -29.050 -15.701 16 H VAL 2 HN VAL 2 10.399 -27.267 -7.603 17 HA VAL 2 HA VAL 2 9.394 -26.262 -5.050 18 HB VAL 2 HB VAL 2 10.396 -28.472 -4.967 19 HG11 VAL 2 HG11 VAL 2 12.787 -28.824 -5.351 20 HG12 VAL 2 HG12 VAL 2 12.943 -27.157 -5.902 21 HG13 VAL 2 HG13 VAL 2 11.964 -28.301 -6.818 22 HG21 VAL 2 HG21 VAL 2 11.982 -28.096 -3.140 23 HG22 VAL 2 HG22 VAL 2 10.562 -27.062 -2.998 24 HG23 VAL 2 HG23 VAL 2 12.085 -26.394 -3.584 25 H GLN 3 HN GLN 3 9.746 -24.265 -4.532 26 HA GLN 3 HA GLN 3 12.347 -23.052 -5.162 27 HB2 GLN 3 HB2 GLN 3 9.596 -21.895 -5.464 28 HB3 GLN 3 HB1 GLN 3 10.924 -20.833 -5.027 29 HG2 GLN 3 HG2 GLN 3 10.696 -20.689 -7.363 30 HG3 GLN 3 HG1 GLN 3 12.128 -21.670 -7.068 31 HE21 GLN 3 HE21 GLN 3 12.051 -22.654 -9.053 32 HE22 GLN 3 HE22 GLN 3 10.849 -23.824 -9.474 33 H GLY 4 HN GLY 4 12.899 -21.289 -3.636 34 HA2 GLY 4 HA2 GLY 4 12.319 -22.177 -0.927 35 HA3 GLY 4 HA1 GLY 4 13.558 -21.029 -1.409 36 H ARG 5 HN ARG 5 10.256 -20.767 -2.465 37 HA ARG 5 HA ARG 5 9.998 -18.085 -2.035 38 HB2 ARG 5 HB2 ARG 5 7.642 -18.316 -2.380 39 HB3 ARG 5 HB1 ARG 5 8.454 -19.499 -3.390 40 HG2 ARG 5 HG2 ARG 5 7.406 -20.270 -0.695 41 HG3 ARG 5 HG1 ARG 5 6.329 -20.180 -2.087 42 HD2 ARG 5 HD2 ARG 5 8.856 -21.821 -2.020 43 HD3 ARG 5 HD1 ARG 5 7.262 -22.457 -1.618 44 HE ARG 5 HE ARG 5 7.340 -21.171 -4.177 45 HH11 ARG 5 HH11 ARG 5 8.045 -24.174 -2.513 46 HH12 ARG 5 HH12 ARG 5 7.761 -25.162 -3.912 47 HH21 ARG 5 HH21 ARG 5 7.006 -22.459 -6.024 48 HH22 ARG 5 HH22 ARG 5 7.203 -24.185 -5.921 49 H TRP 6 HN TRP 6 9.347 -20.649 0.292 50 HA TRP 6 HA TRP 6 8.105 -18.794 2.140 51 HB2 TRP 6 HB2 TRP 6 7.472 -21.275 1.788 52 HB3 TRP 6 HB1 TRP 6 8.891 -21.632 2.765 53 HD1 TRP 6 HD1 TRP 6 8.821 -20.763 5.362 54 HE1 TRP 6 HE1 TRP 6 6.811 -20.386 6.924 55 HE3 TRP 6 HE3 TRP 6 5.093 -20.579 1.867 56 HZ2 TRP 6 HZ2 TRP 6 4.017 -20.059 6.705 57 HZ3 TRP 6 HZ3 TRP 6 2.780 -20.233 2.627 58 HH2 TRP 6 HH2 TRP 6 2.255 -19.980 4.998 59 H LYS 7 HN LYS 7 11.121 -20.543 1.742 60 HA LYS 7 HA LYS 7 12.170 -19.956 4.309 61 HB2 LYS 7 HB2 LYS 7 12.945 -21.829 2.855 62 HB3 LYS 7 HB1 LYS 7 13.700 -20.646 1.795 63 HG2 LYS 7 HG2 LYS 7 15.123 -19.910 3.649 64 HG3 LYS 7 HG1 LYS 7 14.375 -21.121 4.688 65 HD2 LYS 7 HD2 LYS 7 15.184 -22.889 3.188 66 HD3 LYS 7 HD1 LYS 7 15.963 -21.664 2.183 67 HE2 LYS 7 HE2 LYS 7 17.602 -22.640 3.654 68 HE3 LYS 7 HE1 LYS 7 17.308 -20.972 4.138 69 HZ1 LYS 7 HZ1 LYS 7 17.409 -22.428 6.053 70 HZ2 LYS 7 HZ2 LYS 7 16.160 -23.385 5.438 71 HZ3 LYS 7 HZ3 LYS 7 15.852 -21.788 5.898 72 H VAL 8 HN VAL 8 12.416 -18.380 1.159 73 HA VAL 8 HA VAL 8 14.393 -16.504 1.916 74 HB VAL 8 HB VAL 8 13.819 -17.024 -0.449 75 HG11 VAL 8 HG11 VAL 8 11.378 -15.331 0.064 76 HG12 VAL 8 HG12 VAL 8 11.394 -17.061 -0.279 77 HG13 VAL 8 HG13 VAL 8 11.918 -15.913 -1.510 78 HG21 VAL 8 HG21 VAL 8 15.121 -15.048 0.076 79 HG22 VAL 8 HG22 VAL 8 13.645 -14.111 0.307 80 HG23 VAL 8 HG23 VAL 8 14.054 -14.734 -1.292 81 H ARG 9 HN ARG 9 10.897 -16.554 2.213 82 HA ARG 9 HA ARG 9 10.812 -13.834 3.207 83 HB2 ARG 9 HB2 ARG 9 8.653 -15.947 3.078 84 HB3 ARG 9 HB1 ARG 9 8.403 -14.274 3.556 85 HG2 ARG 9 HG2 ARG 9 9.158 -13.556 1.320 86 HG3 ARG 9 HG1 ARG 9 9.298 -15.252 0.853 87 HD2 ARG 9 HD2 ARG 9 6.786 -13.807 1.685 88 HD3 ARG 9 HD1 ARG 9 7.201 -14.348 0.062 89 HE ARG 9 HE ARG 9 6.867 -16.277 2.257 90 HH11 ARG 9 HH11 ARG 9 6.012 -15.115 -0.936 91 HH12 ARG 9 HH12 ARG 9 4.966 -16.453 -1.277 92 HH21 ARG 9 HH21 ARG 9 5.488 -18.032 1.811 93 HH22 ARG 9 HH22 ARG 9 4.661 -18.111 0.283 94 H ALA 10 HN ALA 10 11.618 -16.815 4.442 95 HA ALA 10 HA ALA 10 10.766 -16.253 7.162 96 HB1 ALA 10 HB1 ALA 10 10.731 -18.567 6.378 97 HB2 ALA 10 HB2 ALA 10 11.863 -18.373 7.717 98 HB3 ALA 10 HB3 ALA 10 12.465 -18.494 6.064 99 H SER 11 HN SER 11 13.684 -16.259 5.195 100 HA SER 11 HA SER 11 15.444 -15.510 7.312 101 HB2 SER 11 HB2 SER 11 15.796 -15.120 4.328 102 HB3 SER 11 HB1 SER 11 17.072 -15.122 5.547 103 HG SER 11 HG SER 11 15.707 -17.375 5.827 104 H PHE 12 HN PHE 12 13.444 -13.813 5.010 105 HA PHE 12 HA PHE 12 14.444 -11.238 5.996 106 HB2 PHE 12 HB2 PHE 12 12.708 -11.826 3.590 107 HB3 PHE 12 HB1 PHE 12 13.331 -10.245 4.046 108 HD1 PHE 12 HD1 PHE 12 16.117 -11.209 4.867 109 HD2 PHE 12 HD2 PHE 12 13.703 -11.979 1.449 110 HE1 PHE 12 HE1 PHE 12 18.139 -11.629 3.536 111 HE2 PHE 12 HE2 PHE 12 15.722 -12.406 0.117 112 HZ PHE 12 HZ PHE 12 17.945 -12.232 1.160 113 H PHE 13 HN PHE 13 12.499 -13.171 7.294 114 HA PHE 13 HA PHE 13 9.909 -12.078 7.220 115 HB2 PHE 13 HB2 PHE 13 10.400 -14.349 8.049 116 HB3 PHE 13 HB1 PHE 13 11.226 -13.654 9.437 117 HD1 PHE 13 HD1 PHE 13 10.060 -13.460 11.401 118 HD2 PHE 13 HD2 PHE 13 7.914 -13.497 7.726 119 HE1 PHE 13 HE1 PHE 13 7.937 -13.418 12.643 120 HE2 PHE 13 HE2 PHE 13 5.787 -13.456 8.962 121 HZ PHE 13 HZ PHE 13 5.797 -13.417 11.424 122 H LYS 14 HN LYS 14 12.754 -11.081 8.775 123 HA LYS 14 HA LYS 14 11.687 -9.549 10.883 124 HB2 LYS 14 HB2 LYS 14 14.255 -9.277 9.321 125 HB3 LYS 14 HB1 LYS 14 13.864 -8.280 10.714 126 HG2 LYS 14 HG2 LYS 14 13.743 -10.266 12.119 127 HG3 LYS 14 HG1 LYS 14 14.111 -11.277 10.726 128 HD2 LYS 14 HD2 LYS 14 15.922 -9.101 11.753 129 HD3 LYS 14 HD1 LYS 14 16.062 -10.799 12.213 130 HE2 LYS 14 HE2 LYS 14 16.240 -9.735 9.396 131 HE3 LYS 14 HE1 LYS 14 17.617 -10.168 10.405 132 HZ1 LYS 14 HZ1 LYS 14 17.058 -11.954 8.888 133 HZ2 LYS 14 HZ2 LYS 14 15.484 -12.027 9.496 134 HZ3 LYS 14 HZ3 LYS 14 16.789 -12.441 10.485 135 H GLU 15 HN GLU 15 12.346 -8.804 7.495 136 HA GLU 15 HA GLU 15 11.324 -6.101 7.823 137 HB2 GLU 15 HB2 GLU 15 12.554 -7.583 5.512 138 HB3 GLU 15 HB1 GLU 15 11.742 -6.043 5.278 139 HG2 GLU 15 HG2 GLU 15 14.073 -5.630 5.463 140 HG3 GLU 15 HG1 GLU 15 13.298 -5.034 6.927 141 H ALA 16 HN ALA 16 10.252 -9.207 6.861 142 HA ALA 16 HA ALA 16 8.007 -8.346 5.319 143 HB1 ALA 16 HB1 ALA 16 7.341 -10.635 5.268 144 HB2 ALA 16 HB2 ALA 16 8.374 -11.022 6.642 145 HB3 ALA 16 HB3 ALA 16 9.095 -10.585 5.095 146 H ALA 17 HN ALA 17 8.676 -8.215 8.563 147 HA ALA 17 HA ALA 17 6.193 -8.896 9.729 148 HB1 ALA 17 HB1 ALA 17 6.991 -7.693 11.689 149 HB2 ALA 17 HB2 ALA 17 8.287 -6.974 10.735 150 HB3 ALA 17 HB3 ALA 17 8.265 -8.712 11.020 151 H ALA 18 HN ALA 18 7.530 -5.838 8.541 152 HA ALA 18 HA ALA 18 5.170 -4.348 9.194 153 HB1 ALA 18 HB1 ALA 18 7.452 -3.626 7.360 154 HB2 ALA 18 HB2 ALA 18 7.373 -3.273 9.086 155 HB3 ALA 18 HB3 ALA 18 6.226 -2.519 7.977 156 H LYS 19 HN LYS 19 5.986 -6.519 6.789 157 HA LYS 19 HA LYS 19 4.133 -5.366 4.833 158 HB2 LYS 19 HB2 LYS 19 6.444 -6.053 4.130 159 HB3 LYS 19 HB1 LYS 19 6.014 -7.713 4.513 160 HG2 LYS 19 HG2 LYS 19 4.260 -7.653 2.813 161 HG3 LYS 19 HG1 LYS 19 4.691 -5.985 2.430 162 HD2 LYS 19 HD2 LYS 19 6.596 -8.311 2.219 163 HD3 LYS 19 HD1 LYS 19 5.639 -7.695 0.871 164 HE2 LYS 19 HE2 LYS 19 7.682 -6.149 2.460 165 HE3 LYS 19 HE1 LYS 19 7.897 -6.784 0.830 166 HZ1 LYS 19 HZ1 LYS 19 7.351 -4.494 0.661 167 HZ2 LYS 19 HZ2 LYS 19 6.028 -4.650 1.692 168 HZ3 LYS 19 HZ3 LYS 19 5.988 -5.358 0.156 169 H GLU 20 HN GLU 20 3.669 -7.068 7.450 170 HA GLU 20 HA GLU 20 2.764 -9.602 6.722 171 HB2 GLU 20 HB2 GLU 20 1.522 -9.625 8.846 172 HB3 GLU 20 HB1 GLU 20 3.170 -9.048 9.041 173 HG2 GLU 20 HG2 GLU 20 2.444 -6.804 9.291 174 HG3 GLU 20 HG1 GLU 20 0.803 -7.214 8.788 175 H ALA 21 HN ALA 21 0.932 -6.555 6.910 176 HA ALA 21 HA ALA 21 -1.558 -7.788 6.268 177 HB1 ALA 21 HB1 ALA 21 -1.420 -5.636 7.454 178 HB2 ALA 21 HB2 ALA 21 -2.413 -5.536 6.001 179 HB3 ALA 21 HB3 ALA 21 -0.774 -4.890 5.994 180 H ALA 22 HN ALA 22 1.031 -6.329 4.440 181 HA ALA 22 HA ALA 22 -0.353 -6.144 1.965 182 HB1 ALA 22 HB1 ALA 22 1.599 -4.772 2.451 183 HB2 ALA 22 HB2 ALA 22 1.853 -5.735 0.996 184 HB3 ALA 22 HB3 ALA 22 2.608 -6.215 2.515 185 H ALA 23 HN ALA 23 1.808 -8.540 3.395 186 HA ALA 23 HA ALA 23 1.976 -10.254 1.175 187 HB1 ALA 23 HB1 ALA 23 2.712 -11.950 2.778 188 HB2 ALA 23 HB2 ALA 23 2.184 -10.921 4.108 189 HB3 ALA 23 HB3 ALA 23 3.507 -10.402 3.064 190 H LYS 24 HN LYS 24 -0.431 -9.854 3.659 191 HA LYS 24 HA LYS 24 -1.892 -12.212 2.765 192 HB2 LYS 24 HB2 LYS 24 -2.402 -10.269 5.016 193 HB3 LYS 24 HB1 LYS 24 -3.448 -11.629 4.640 194 HG2 LYS 24 HG2 LYS 24 -1.547 -13.152 5.041 195 HG3 LYS 24 HG1 LYS 24 -0.572 -11.762 5.510 196 HD2 LYS 24 HD2 LYS 24 -3.149 -12.550 6.865 197 HD3 LYS 24 HD1 LYS 24 -1.555 -13.053 7.419 198 HE2 LYS 24 HE2 LYS 24 -1.968 -11.207 8.743 199 HE3 LYS 24 HE1 LYS 24 -1.034 -10.508 7.424 200 HZ1 LYS 24 HZ1 LYS 24 -3.995 -10.456 7.653 201 HZ2 LYS 24 HZ2 LYS 24 -3.089 -9.750 6.415 202 HZ3 LYS 24 HZ3 LYS 24 -2.962 -9.163 7.991 203 H GLY 25 HN GLY 25 -1.555 -9.308 1.512 204 HA2 GLY 25 HA2 GLY 25 -2.866 -8.563 -0.308 205 HA3 GLY 25 HA1 GLY 25 -4.259 -9.369 0.396 206 H PHE 26 HN PHE 26 -2.068 -6.614 0.867 207 HA PHE 26 HA PHE 26 -4.121 -5.260 2.433 208 HB2 PHE 26 HB2 PHE 26 -1.762 -5.166 3.204 209 HB3 PHE 26 HB1 PHE 26 -1.336 -4.322 1.719 210 HD1 PHE 26 HD1 PHE 26 -3.852 -4.015 4.460 211 HD2 PHE 26 HD2 PHE 26 -1.094 -2.059 1.883 212 HE1 PHE 26 HE1 PHE 26 -4.370 -1.870 5.542 213 HE2 PHE 26 HE2 PHE 26 -1.605 0.094 2.958 214 HZ PHE 26 HZ PHE 26 -3.248 0.189 4.794 215 H ALA 27 HN ALA 27 -2.602 -5.223 -0.660 216 HA ALA 27 HA ALA 27 -3.851 -2.755 -1.505 217 HB1 ALA 27 HB1 ALA 27 -1.644 -3.362 -2.373 218 HB2 ALA 27 HB2 ALA 27 -2.824 -3.229 -3.677 219 HB3 ALA 27 HB3 ALA 27 -2.327 -4.818 -3.097 220 H TRP 28 HN TRP 28 -5.372 -5.127 -0.595 221 HA TRP 28 HA TRP 28 -7.116 -5.439 -2.935 222 HB2 TRP 28 HB2 TRP 28 -5.815 -7.470 -1.293 223 HB3 TRP 28 HB1 TRP 28 -7.556 -7.690 -1.377 224 HD1 TRP 28 HD1 TRP 28 -4.583 -7.246 -3.831 225 HE1 TRP 28 HE1 TRP 28 -5.086 -8.647 -5.934 226 HE3 TRP 28 HE3 TRP 28 -9.253 -8.911 -2.600 227 HZ2 TRP 28 HZ2 TRP 28 -7.186 -10.248 -6.930 228 HZ3 TRP 28 HZ3 TRP 28 -10.440 -10.373 -4.177 229 HH2 TRP 28 HH2 TRP 28 -9.430 -11.028 -6.298 230 H ASN 29 HN ASN 29 -6.908 -3.976 -0.055 231 HA ASN 29 HA ASN 29 -9.224 -4.807 1.335 232 HB2 ASN 29 HB2 ASN 29 -7.639 -2.238 1.398 233 HB3 ASN 29 HB1 ASN 29 -9.114 -2.431 2.328 234 HD21 ASN 29 HD21 ASN 29 -7.009 -5.150 1.810 235 HD22 ASN 29 HD22 ASN 29 -6.408 -5.239 3.427 236 H VAL 30 HN VAL 30 -11.282 -3.935 1.382 237 HA VAL 30 HA VAL 30 -12.133 -2.934 -1.206 238 HB VAL 30 HB VAL 30 -14.051 -3.428 1.030 239 HG11 VAL 30 HG11 VAL 30 -14.144 -3.913 -1.940 240 HG12 VAL 30 HG12 VAL 30 -14.898 -2.580 -1.062 241 HG13 VAL 30 HG13 VAL 30 -15.460 -4.233 -0.811 242 HG21 VAL 30 HG21 VAL 30 -14.143 -5.831 0.428 243 HG22 VAL 30 HG22 VAL 30 -12.640 -5.357 1.218 244 HG23 VAL 30 HG23 VAL 30 -12.677 -5.611 -0.529 245 H CYS 31 HN CYS 31 -11.704 -0.802 -1.302 246 HA CYS 31 HA CYS 31 -12.650 0.886 0.899 247 HB2 CYS 31 HB2 CYS 31 -11.187 2.644 -0.238 248 HB3 CYS 31 HB1 CYS 31 -10.375 1.310 0.573 249 HG CYS 31 HG CYS 31 -8.994 0.554 -1.451 250 H VAL 32 HN VAL 32 -14.411 1.966 0.665 251 HA VAL 32 HA VAL 32 -15.176 3.027 -1.968 252 HB VAL 32 HB VAL 32 -17.530 2.462 -1.606 253 HG11 VAL 32 HG11 VAL 32 -15.754 0.032 -1.422 254 HG12 VAL 32 HG12 VAL 32 -16.168 0.908 -2.896 255 HG13 VAL 32 HG13 VAL 32 -17.422 0.053 -1.997 256 HG21 VAL 32 HG21 VAL 32 -16.569 0.976 0.837 257 HG22 VAL 32 HG22 VAL 32 -18.203 0.907 0.174 258 HG23 VAL 32 HG23 VAL 32 -17.575 2.425 0.818 259 H TYR 33 HN TYR 33 -16.993 4.722 -1.630 260 HA TYR 33 HA TYR 33 -16.147 6.333 0.659 261 HB2 TYR 33 HB2 TYR 33 -17.763 7.139 -1.768 262 HB3 TYR 33 HB1 TYR 33 -17.189 8.225 -0.506 263 HD1 TYR 33 HD1 TYR 33 -14.463 7.565 -0.051 264 HD2 TYR 33 HD2 TYR 33 -16.595 7.500 -3.731 265 HE1 TYR 33 HE1 TYR 33 -12.354 7.870 -1.270 266 HE2 TYR 33 HE2 TYR 33 -14.492 7.809 -4.956 267 HH TYR 33 HH TYR 33 -12.244 8.676 -4.583 268 H ARG 34 HN ARG 34 -17.247 5.434 2.306 269 HA ARG 34 HA ARG 34 -20.144 5.094 2.099 270 HB2 ARG 34 HB2 ARG 34 -18.721 3.238 2.952 271 HB3 ARG 34 HB1 ARG 34 -18.226 4.263 4.288 272 HG2 ARG 34 HG2 ARG 34 -20.462 4.308 5.144 273 HG3 ARG 34 HG1 ARG 34 -21.062 3.407 3.751 274 HD2 ARG 34 HD2 ARG 34 -20.846 1.823 5.473 275 HD3 ARG 34 HD1 ARG 34 -19.427 1.584 4.454 276 HE ARG 34 HE ARG 34 -18.710 3.384 6.439 277 HH11 ARG 34 HH11 ARG 34 -19.683 0.035 6.179 278 HH12 ARG 34 HH12 ARG 34 -18.890 -0.441 7.646 279 HH21 ARG 34 HH21 ARG 34 -17.672 2.774 8.368 280 HH22 ARG 34 HH22 ARG 34 -17.737 1.122 8.897 281 H ASN 35 HN ASN 35 -21.417 6.660 2.791 282 HA ASN 35 HA ASN 35 -22.209 8.539 3.803 283 HB2 ASN 35 HB2 ASN 35 -20.166 8.241 6.000 284 HB3 ASN 35 HB1 ASN 35 -21.760 8.974 6.083 285 HD21 ASN 35 HD21 ASN 35 -19.913 6.128 6.282 286 HD22 ASN 35 HD22 ASN 35 -21.194 5.062 6.776 287 H GLY 36 HN GLY 36 -19.695 8.470 2.099 288 HA2 GLY 36 HA2 GLY 36 -18.757 10.414 1.106 289 HA3 GLY 36 HA1 GLY 36 -18.951 11.253 2.636 290 H VAL 37 HN VAL 37 -17.754 8.633 3.902 291 HA VAL 37 HA VAL 37 -15.006 9.629 3.565 292 HB VAL 37 HB VAL 37 -15.880 9.647 5.859 293 HG11 VAL 37 HG11 VAL 37 -16.202 7.546 7.084 294 HG12 VAL 37 HG12 VAL 37 -16.011 6.654 5.575 295 HG13 VAL 37 HG13 VAL 37 -17.377 7.751 5.785 296 HG21 VAL 37 HG21 VAL 37 -13.494 9.455 5.536 297 HG22 VAL 37 HG22 VAL 37 -13.627 7.701 5.421 298 HG23 VAL 37 HG23 VAL 37 -13.988 8.514 6.943 299 H ARG 38 HN ARG 38 -13.329 8.342 3.073 300 HA ARG 38 HA ARG 38 -13.915 6.056 1.465 301 HB2 ARG 38 HB2 ARG 38 -12.121 7.576 0.854 302 HB3 ARG 38 HB1 ARG 38 -11.291 7.240 2.365 303 HG2 ARG 38 HG2 ARG 38 -10.876 4.966 1.685 304 HG3 ARG 38 HG1 ARG 38 -11.839 5.195 0.223 305 HD2 ARG 38 HD2 ARG 38 -9.479 5.338 -0.301 306 HD3 ARG 38 HD1 ARG 38 -10.251 6.902 -0.536 307 HE ARG 38 HE ARG 38 -8.998 6.512 2.047 308 HH11 ARG 38 HH11 ARG 38 -8.623 7.669 -1.232 309 HH12 ARG 38 HH12 ARG 38 -7.346 8.776 -0.834 310 HH21 ARG 38 HH21 ARG 38 -7.298 7.951 2.578 311 HH22 ARG 38 HH22 ARG 38 -6.588 8.929 1.332 312 H VAL 39 HN VAL 39 -14.531 4.266 2.424 313 HA VAL 39 HA VAL 39 -13.242 3.459 4.928 314 HB VAL 39 HB VAL 39 -15.716 3.867 4.925 315 HG11 VAL 39 HG11 VAL 39 -16.278 3.055 2.756 316 HG12 VAL 39 HG12 VAL 39 -17.149 2.111 3.965 317 HG13 VAL 39 HG13 VAL 39 -15.725 1.436 3.174 318 HG21 VAL 39 HG21 VAL 39 -14.908 1.045 5.586 319 HG22 VAL 39 HG22 VAL 39 -16.306 1.917 6.224 320 HG23 VAL 39 HG23 VAL 39 -14.670 2.451 6.623 321 H CYS 40 HN CYS 40 -11.992 1.742 4.971 322 HA CYS 40 HA CYS 40 -12.148 -0.123 2.707 323 HB2 CYS 40 HB2 CYS 40 -9.736 -0.617 3.220 324 HB3 CYS 40 HB1 CYS 40 -10.058 0.993 2.608 325 HG CYS 40 HG CYS 40 -9.825 0.484 5.960 326 H HIS 41 HN HIS 41 -12.837 -2.053 3.185 327 HA HIS 41 HA HIS 41 -12.556 -2.972 5.964 328 HB2 HIS 41 HB2 HIS 41 -14.697 -4.137 5.787 329 HB3 HIS 41 HB1 HIS 41 -14.886 -2.405 5.592 330 HD1 HIS 41 HD1 HIS 41 -15.475 -5.647 3.948 331 HD2 HIS 41 HD2 HIS 41 -15.565 -1.618 2.906 332 HE1 HIS 41 HE1 HIS 41 -16.771 -5.530 1.795 333 HE2 HIS 41 HE2 HIS 41 -16.808 -3.090 1.177 334 H ARG 42 HN ARG 42 -12.864 -5.323 6.204 335 HA ARG 42 HA ARG 42 -10.947 -6.725 4.690 336 HB2 ARG 42 HB2 ARG 42 -13.062 -7.658 6.633 337 HB3 ARG 42 HB1 ARG 42 -11.833 -8.716 5.954 338 HG2 ARG 42 HG2 ARG 42 -10.090 -7.554 7.044 339 HG3 ARG 42 HG1 ARG 42 -11.159 -6.218 7.479 340 HD2 ARG 42 HD2 ARG 42 -11.429 -9.044 8.495 341 HD3 ARG 42 HD1 ARG 42 -10.656 -7.726 9.375 342 HE ARG 42 HE ARG 42 -13.329 -7.102 8.551 343 HH11 ARG 42 HH11 ARG 42 -11.405 -8.657 11.027 344 HH12 ARG 42 HH12 ARG 42 -12.623 -8.505 12.251 345 HH21 ARG 42 HH21 ARG 42 -14.937 -6.894 10.159 346 HH22 ARG 42 HH22 ARG 42 -14.635 -7.494 11.757 347 H ARG 43 HN ARG 43 -11.407 -8.821 3.605 348 HA ARG 43 HA ARG 43 -13.505 -8.339 1.626 349 HB2 ARG 43 HB2 ARG 43 -11.022 -10.050 1.535 350 HB3 ARG 43 HB1 ARG 43 -12.179 -9.888 0.221 351 HG2 ARG 43 HG2 ARG 43 -11.589 -7.665 -0.174 352 HG3 ARG 43 HG1 ARG 43 -10.766 -7.519 1.382 353 HD2 ARG 43 HD2 ARG 43 -9.888 -9.365 -0.823 354 HD3 ARG 43 HD1 ARG 43 -9.243 -7.741 -0.583 355 HE ARG 43 HE ARG 43 -8.849 -8.833 1.826 356 HH11 ARG 43 HH11 ARG 43 -8.167 -10.076 -1.375 357 HH12 ARG 43 HH12 ARG 43 -6.790 -10.996 -0.860 358 HH21 ARG 43 HH21 ARG 43 -7.031 -10.034 2.500 359 HH22 ARG 43 HH22 ARG 43 -6.141 -10.970 1.337 360 H ALA 44 HN ALA 44 -14.724 -10.065 0.810 361 HA ALA 44 HA ALA 44 -14.906 -12.430 2.549 362 HB1 ALA 44 HB1 ALA 44 -17.008 -11.225 2.236 363 HB2 ALA 44 HB2 ALA 44 -17.086 -12.819 1.487 364 HB3 ALA 44 HB3 ALA 44 -16.851 -11.386 0.487 365 H ASN 45 HN ASN 45 -12.866 -11.807 0.493 366 HA ASN 45 HA ASN 45 -13.431 -13.754 -1.615 367 HB2 ASN 45 HB2 ASN 45 -11.112 -11.828 -1.306 368 HB3 ASN 45 HB1 ASN 45 -11.409 -12.857 -2.701 369 HD21 ASN 45 HD21 ASN 45 -13.023 -12.314 -4.148 370 HD22 ASN 45 HD22 ASN 45 -13.798 -10.767 -4.134 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 17.455 -6.768 6.731 2 H2 ARG 1 HT2 ARG 1 16.977 -6.805 5.111 3 H3 ARG 1 HT3 ARG 1 16.172 -7.759 6.252 4 HA ARG 1 HA ARG 1 16.211 -4.806 6.189 5 HB2 ARG 1 HB2 ARG 1 14.889 -5.788 4.365 6 HB3 ARG 1 HB1 ARG 1 14.005 -6.766 5.527 7 HG2 ARG 1 HG2 ARG 1 13.087 -4.744 6.538 8 HG3 ARG 1 HG1 ARG 1 13.982 -3.758 5.379 9 HD2 ARG 1 HD2 ARG 1 11.886 -5.812 4.685 10 HD3 ARG 1 HD1 ARG 1 11.632 -4.067 4.721 11 HE ARG 1 HE ARG 1 13.582 -4.150 2.983 12 HH11 ARG 1 HH11 ARG 1 10.919 -6.403 3.262 13 HH12 ARG 1 HH12 ARG 1 10.888 -6.772 1.568 14 HH21 ARG 1 HH21 ARG 1 13.542 -4.632 0.756 15 HH22 ARG 1 HH22 ARG 1 12.378 -5.764 0.141 16 H VAL 2 HN VAL 2 15.682 -3.866 8.039 17 HA VAL 2 HA VAL 2 14.839 -5.519 10.289 18 HB VAL 2 HB VAL 2 15.204 -3.485 11.653 19 HG11 VAL 2 HG11 VAL 2 17.651 -3.398 11.401 20 HG12 VAL 2 HG12 VAL 2 17.506 -4.245 9.862 21 HG13 VAL 2 HG13 VAL 2 17.028 -5.047 11.358 22 HG21 VAL 2 HG21 VAL 2 16.119 -2.232 9.065 23 HG22 VAL 2 HG22 VAL 2 16.246 -1.509 10.667 24 HG23 VAL 2 HG23 VAL 2 14.659 -1.806 9.958 25 H GLN 3 HN GLN 3 13.145 -4.461 11.772 26 HA GLN 3 HA GLN 3 10.808 -4.016 10.122 27 HB2 GLN 3 HB2 GLN 3 11.033 -4.156 13.133 28 HB3 GLN 3 HB1 GLN 3 9.544 -4.211 12.201 29 HG2 GLN 3 HG2 GLN 3 11.741 -6.267 12.169 30 HG3 GLN 3 HG1 GLN 3 10.172 -6.424 12.955 31 HE21 GLN 3 HE21 GLN 3 8.737 -5.132 10.764 32 HE22 GLN 3 HE22 GLN 3 8.688 -6.288 9.481 33 H GLY 4 HN GLY 4 10.424 -2.043 9.403 34 HA2 GLY 4 HA2 GLY 4 11.453 0.239 10.917 35 HA3 GLY 4 HA1 GLY 4 10.953 0.254 9.234 36 H ARG 5 HN ARG 5 8.762 -1.351 11.249 37 HA ARG 5 HA ARG 5 6.554 0.141 10.704 38 HB2 ARG 5 HB2 ARG 5 6.545 -2.060 11.827 39 HB3 ARG 5 HB1 ARG 5 7.110 -1.294 13.303 40 HG2 ARG 5 HG2 ARG 5 5.006 0.114 13.209 41 HG3 ARG 5 HG1 ARG 5 4.446 -0.999 11.957 42 HD2 ARG 5 HD2 ARG 5 5.186 -1.664 14.799 43 HD3 ARG 5 HD1 ARG 5 3.583 -1.733 14.069 44 HE ARG 5 HE ARG 5 4.701 -3.492 12.555 45 HH11 ARG 5 HH11 ARG 5 5.395 -3.000 15.950 46 HH12 ARG 5 HH12 ARG 5 5.886 -4.644 16.218 47 HH21 ARG 5 HH21 ARG 5 5.349 -5.643 12.899 48 HH22 ARG 5 HH22 ARG 5 5.867 -6.144 14.477 49 H TRP 6 HN TRP 6 8.372 0.393 13.759 50 HA TRP 6 HA TRP 6 7.019 2.853 14.440 51 HB2 TRP 6 HB2 TRP 6 8.422 2.715 16.508 52 HB3 TRP 6 HB1 TRP 6 7.443 1.278 16.220 53 HD1 TRP 6 HD1 TRP 6 11.055 2.449 16.425 54 HE1 TRP 6 HE1 TRP 6 12.609 0.398 16.393 55 HE3 TRP 6 HE3 TRP 6 7.611 -1.158 15.311 56 HZ2 TRP 6 HZ2 TRP 6 12.400 -2.379 15.956 57 HZ3 TRP 6 HZ3 TRP 6 8.372 -3.489 15.101 58 HH2 TRP 6 HH2 TRP 6 10.717 -4.085 15.417 59 H LYS 7 HN LYS 7 9.794 1.959 12.743 60 HA LYS 7 HA LYS 7 11.473 4.173 13.442 61 HB2 LYS 7 HB2 LYS 7 12.282 1.939 12.613 62 HB3 LYS 7 HB1 LYS 7 11.660 2.367 11.025 63 HG2 LYS 7 HG2 LYS 7 13.172 4.303 10.977 64 HG3 LYS 7 HG1 LYS 7 13.819 3.808 12.542 65 HD2 LYS 7 HD2 LYS 7 14.422 1.611 11.493 66 HD3 LYS 7 HD1 LYS 7 13.972 2.307 9.936 67 HE2 LYS 7 HE2 LYS 7 16.364 2.471 10.251 68 HE3 LYS 7 HE1 LYS 7 15.645 4.080 10.269 69 HZ1 LYS 7 HZ1 LYS 7 16.433 2.515 12.668 70 HZ2 LYS 7 HZ2 LYS 7 15.759 4.067 12.680 71 HZ3 LYS 7 HZ3 LYS 7 17.291 3.817 12.013 72 H VAL 8 HN VAL 8 9.390 3.340 10.687 73 HA VAL 8 HA VAL 8 9.947 5.745 9.267 74 HB VAL 8 HB VAL 8 8.123 5.122 7.784 75 HG11 VAL 8 HG11 VAL 8 9.811 2.750 8.559 76 HG12 VAL 8 HG12 VAL 8 10.288 4.053 7.472 77 HG13 VAL 8 HG13 VAL 8 8.975 2.965 7.021 78 HG21 VAL 8 HG21 VAL 8 6.803 3.085 8.179 79 HG22 VAL 8 HG22 VAL 8 6.512 4.318 9.407 80 HG23 VAL 8 HG23 VAL 8 7.541 2.932 9.772 81 H ARG 9 HN ARG 9 8.118 5.104 11.988 82 HA ARG 9 HA ARG 9 6.363 7.403 11.525 83 HB2 ARG 9 HB2 ARG 9 6.342 5.281 13.677 84 HB3 ARG 9 HB1 ARG 9 5.244 6.656 13.635 85 HG2 ARG 9 HG2 ARG 9 4.323 5.898 11.529 86 HG3 ARG 9 HG1 ARG 9 5.469 4.558 11.488 87 HD2 ARG 9 HD2 ARG 9 4.482 3.616 13.490 88 HD3 ARG 9 HD1 ARG 9 3.381 4.988 13.620 89 HE ARG 9 HE ARG 9 2.973 3.887 11.115 90 HH11 ARG 9 HH11 ARG 9 2.680 2.858 14.442 91 HH12 ARG 9 HH12 ARG 9 1.369 1.765 14.128 92 HH21 ARG 9 HH21 ARG 9 1.253 2.445 10.686 93 HH22 ARG 9 HH22 ARG 9 0.540 1.549 11.988 94 H ALA 10 HN ALA 10 9.373 6.886 12.560 95 HA ALA 10 HA ALA 10 9.229 8.933 14.671 96 HB1 ALA 10 HB1 ALA 10 10.230 6.798 15.364 97 HB2 ALA 10 HB2 ALA 10 11.385 8.129 15.440 98 HB3 ALA 10 HB3 ALA 10 11.453 6.976 14.106 99 H SER 11 HN SER 11 11.492 7.869 12.114 100 HA SER 11 HA SER 11 12.474 10.613 11.918 101 HB2 SER 11 HB2 SER 11 13.486 8.124 10.527 102 HB3 SER 11 HB1 SER 11 14.314 9.677 10.657 103 HG SER 11 HG SER 11 13.736 9.009 13.105 104 H PHE 12 HN PHE 12 10.726 8.222 10.079 105 HA PHE 12 HA PHE 12 10.671 9.998 7.749 106 HB2 PHE 12 HB2 PHE 12 9.823 7.103 7.977 107 HB3 PHE 12 HB1 PHE 12 9.825 8.057 6.502 108 HD1 PHE 12 HD1 PHE 12 11.900 8.618 5.381 109 HD2 PHE 12 HD2 PHE 12 11.885 6.262 8.926 110 HE1 PHE 12 HE1 PHE 12 14.217 7.927 4.930 111 HE2 PHE 12 HE2 PHE 12 14.200 5.571 8.481 112 HZ PHE 12 HZ PHE 12 15.371 6.403 6.482 113 H PHE 13 HN PHE 13 9.073 10.251 10.308 114 HA PHE 13 HA PHE 13 6.453 9.382 10.029 115 HB2 PHE 13 HB2 PHE 13 7.419 10.349 12.104 116 HB3 PHE 13 HB1 PHE 13 7.353 11.942 11.360 117 HD1 PHE 13 HD1 PHE 13 5.349 13.194 11.326 118 HD2 PHE 13 HD2 PHE 13 5.299 9.131 12.588 119 HE1 PHE 13 HE1 PHE 13 3.050 13.482 12.153 120 HE2 PHE 13 HE2 PHE 13 3.002 9.411 13.416 121 HZ PHE 13 HZ PHE 13 1.873 11.592 13.198 122 H LYS 14 HN LYS 14 8.032 12.141 8.630 123 HA LYS 14 HA LYS 14 5.752 13.519 7.714 124 HB2 LYS 14 HB2 LYS 14 7.344 14.598 6.113 125 HB3 LYS 14 HB1 LYS 14 7.872 14.649 7.790 126 HG2 LYS 14 HG2 LYS 14 9.325 12.683 7.326 127 HG3 LYS 14 HG1 LYS 14 8.875 12.813 5.628 128 HD2 LYS 14 HD2 LYS 14 10.254 14.944 7.257 129 HD3 LYS 14 HD1 LYS 14 11.030 13.887 6.078 130 HE2 LYS 14 HE2 LYS 14 9.547 14.828 4.333 131 HE3 LYS 14 HE1 LYS 14 8.894 15.945 5.530 132 HZ1 LYS 14 HZ1 LYS 14 10.574 17.060 4.296 133 HZ2 LYS 14 HZ2 LYS 14 11.685 15.815 4.538 134 HZ3 LYS 14 HZ3 LYS 14 11.198 16.775 5.842 135 H GLU 15 HN GLU 15 7.537 10.803 6.452 136 HA GLU 15 HA GLU 15 6.062 10.796 3.938 137 HB2 GLU 15 HB2 GLU 15 8.479 10.261 3.976 138 HB3 GLU 15 HB1 GLU 15 8.147 8.882 5.010 139 HG2 GLU 15 HG2 GLU 15 6.851 7.844 3.238 140 HG3 GLU 15 HG1 GLU 15 7.127 9.245 2.203 141 H ALA 16 HN ALA 16 5.924 9.480 7.073 142 HA ALA 16 HA ALA 16 4.708 6.998 6.610 143 HB1 ALA 16 HB1 ALA 16 4.436 8.775 9.027 144 HB2 ALA 16 HB2 ALA 16 5.731 7.610 8.745 145 HB3 ALA 16 HB3 ALA 16 4.070 7.052 8.953 146 H ALA 17 HN ALA 17 3.476 10.111 6.165 147 HA ALA 17 HA ALA 17 0.765 9.816 6.753 148 HB1 ALA 17 HB1 ALA 17 2.010 11.371 4.487 149 HB2 ALA 17 HB2 ALA 17 1.783 11.954 6.136 150 HB3 ALA 17 HB3 ALA 17 0.383 11.595 5.127 151 H ALA 18 HN ALA 18 2.679 8.606 4.090 152 HA ALA 18 HA ALA 18 0.254 7.531 2.828 153 HB1 ALA 18 HB1 ALA 18 1.615 7.213 0.830 154 HB2 ALA 18 HB2 ALA 18 3.032 7.807 1.694 155 HB3 ALA 18 HB3 ALA 18 1.676 8.887 1.378 156 H LYS 19 HN LYS 19 2.276 6.585 5.110 157 HA LYS 19 HA LYS 19 3.109 4.010 4.127 158 HB2 LYS 19 HB2 LYS 19 4.396 5.251 5.834 159 HB3 LYS 19 HB1 LYS 19 3.052 5.095 6.952 160 HG2 LYS 19 HG2 LYS 19 4.758 3.495 7.499 161 HG3 LYS 19 HG1 LYS 19 3.331 2.648 6.903 162 HD2 LYS 19 HD2 LYS 19 5.332 1.656 5.962 163 HD3 LYS 19 HD1 LYS 19 4.402 2.450 4.693 164 HE2 LYS 19 HE2 LYS 19 5.893 4.344 4.723 165 HE3 LYS 19 HE1 LYS 19 6.771 3.674 6.097 166 HZ1 LYS 19 HZ1 LYS 19 7.956 3.289 4.043 167 HZ2 LYS 19 HZ2 LYS 19 6.627 2.485 3.377 168 HZ3 LYS 19 HZ3 LYS 19 7.447 1.815 4.694 169 H GLU 20 HN GLU 20 0.214 5.277 5.141 170 HA GLU 20 HA GLU 20 -0.869 2.968 6.448 171 HB2 GLU 20 HB2 GLU 20 -3.050 4.144 6.133 172 HB3 GLU 20 HB1 GLU 20 -1.834 5.106 6.961 173 HG2 GLU 20 HG2 GLU 20 -1.424 6.408 5.016 174 HG3 GLU 20 HG1 GLU 20 -2.400 5.331 4.019 175 H ALA 21 HN ALA 21 -0.174 3.766 3.236 176 HA ALA 21 HA ALA 21 -2.297 2.601 1.830 177 HB1 ALA 21 HB1 ALA 21 -0.759 2.456 -0.055 178 HB2 ALA 21 HB2 ALA 21 0.605 2.746 1.023 179 HB3 ALA 21 HB3 ALA 21 -0.600 4.007 0.768 180 H ALA 22 HN ALA 22 0.733 1.207 2.995 181 HA ALA 22 HA ALA 22 0.607 -1.353 2.058 182 HB1 ALA 22 HB1 ALA 22 1.538 -0.514 4.794 183 HB2 ALA 22 HB2 ALA 22 2.488 -0.435 3.312 184 HB3 ALA 22 HB3 ALA 22 1.981 -1.998 3.950 185 H ALA 23 HN ALA 23 -1.312 0.032 4.639 186 HA ALA 23 HA ALA 23 -2.321 -2.614 5.368 187 HB1 ALA 23 HB1 ALA 23 -3.343 -1.498 7.287 188 HB2 ALA 23 HB2 ALA 23 -2.762 0.057 6.689 189 HB3 ALA 23 HB3 ALA 23 -1.612 -1.179 7.198 190 H LYS 24 HN LYS 24 -3.115 -0.103 3.300 191 HA LYS 24 HA LYS 24 -5.972 -0.809 3.430 192 HB2 LYS 24 HB2 LYS 24 -4.738 1.823 2.616 193 HB3 LYS 24 HB1 LYS 24 -6.450 1.440 2.499 194 HG2 LYS 24 HG2 LYS 24 -6.566 1.188 4.922 195 HG3 LYS 24 HG1 LYS 24 -4.842 1.546 5.046 196 HD2 LYS 24 HD2 LYS 24 -5.248 3.759 4.055 197 HD3 LYS 24 HD1 LYS 24 -6.972 3.399 3.978 198 HE2 LYS 24 HE2 LYS 24 -7.016 3.161 6.424 199 HE3 LYS 24 HE1 LYS 24 -5.300 3.558 6.485 200 HZ1 LYS 24 HZ1 LYS 24 -7.477 5.337 5.531 201 HZ2 LYS 24 HZ2 LYS 24 -5.827 5.723 5.494 202 HZ3 LYS 24 HZ3 LYS 24 -6.612 5.497 6.976 203 H GLY 25 HN GLY 25 -4.266 1.073 0.957 204 HA2 GLY 25 HA2 GLY 25 -5.557 -0.564 -1.053 205 HA3 GLY 25 HA1 GLY 25 -4.674 0.923 -1.344 206 H PHE 26 HN PHE 26 -3.153 -1.416 0.574 207 HA PHE 26 HA PHE 26 -1.501 -2.293 -1.691 208 HB2 PHE 26 HB2 PHE 26 -0.337 -1.084 0.208 209 HB3 PHE 26 HB1 PHE 26 -0.814 -2.423 1.247 210 HD1 PHE 26 HD1 PHE 26 0.635 -4.173 1.557 211 HD2 PHE 26 HD2 PHE 26 0.997 -1.780 -1.941 212 HE1 PHE 26 HE1 PHE 26 2.670 -5.407 0.932 213 HE2 PHE 26 HE2 PHE 26 3.034 -3.005 -2.574 214 HZ PHE 26 HZ PHE 26 3.872 -4.821 -1.135 215 H ALA 27 HN ALA 27 -3.932 -3.177 0.325 216 HA ALA 27 HA ALA 27 -3.368 -6.046 0.002 217 HB1 ALA 27 HB1 ALA 27 -4.732 -4.761 2.370 218 HB2 ALA 27 HB2 ALA 27 -3.073 -5.358 2.351 219 HB3 ALA 27 HB3 ALA 27 -4.415 -6.482 2.149 220 H TRP 28 HN TRP 28 -5.738 -7.102 0.763 221 HA TRP 28 HA TRP 28 -7.383 -6.353 -1.498 222 HB2 TRP 28 HB2 TRP 28 -7.376 -8.667 0.410 223 HB3 TRP 28 HB1 TRP 28 -8.743 -8.366 -0.650 224 HD1 TRP 28 HD1 TRP 28 -5.556 -7.489 -2.345 225 HE1 TRP 28 HE1 TRP 28 -4.890 -9.339 -4.005 226 HE3 TRP 28 HE3 TRP 28 -8.825 -11.128 -0.860 227 HZ2 TRP 28 HZ2 TRP 28 -5.648 -11.987 -4.607 228 HZ3 TRP 28 HZ3 TRP 28 -8.790 -13.291 -2.031 229 HH2 TRP 28 HH2 TRP 28 -7.236 -13.710 -3.865 230 H ASN 29 HN ASN 29 -7.479 -4.341 0.219 231 HA ASN 29 HA ASN 29 -9.903 -4.606 1.805 232 HB2 ASN 29 HB2 ASN 29 -8.082 -2.211 1.461 233 HB3 ASN 29 HB1 ASN 29 -9.504 -2.264 2.487 234 HD21 ASN 29 HD21 ASN 29 -6.228 -3.259 2.114 235 HD22 ASN 29 HD22 ASN 29 -6.029 -3.915 3.705 236 H VAL 30 HN VAL 30 -11.798 -3.915 1.262 237 HA VAL 30 HA VAL 30 -12.250 -2.878 -1.407 238 HB VAL 30 HB VAL 30 -14.347 -3.483 0.665 239 HG11 VAL 30 HG11 VAL 30 -15.730 -3.959 -1.306 240 HG12 VAL 30 HG12 VAL 30 -14.375 -3.512 -2.343 241 HG13 VAL 30 HG13 VAL 30 -15.113 -2.308 -1.288 242 HG21 VAL 30 HG21 VAL 30 -13.002 -5.459 -1.174 243 HG22 VAL 30 HG22 VAL 30 -14.491 -5.768 -0.281 244 HG23 VAL 30 HG23 VAL 30 -12.989 -5.464 0.592 245 H CYS 31 HN CYS 31 -11.793 -0.734 -1.416 246 HA CYS 31 HA CYS 31 -12.818 0.921 0.758 247 HB2 CYS 31 HB2 CYS 31 -11.401 2.708 -0.470 248 HB3 CYS 31 HB1 CYS 31 -10.589 1.446 0.447 249 HG CYS 31 HG CYS 31 -10.786 1.810 -2.934 250 H VAL 32 HN VAL 32 -14.609 1.961 0.581 251 HA VAL 32 HA VAL 32 -15.438 3.061 -2.017 252 HB VAL 32 HB VAL 32 -17.799 2.486 -1.556 253 HG11 VAL 32 HG11 VAL 32 -15.965 0.097 -1.649 254 HG12 VAL 32 HG12 VAL 32 -16.513 1.049 -3.030 255 HG13 VAL 32 HG13 VAL 32 -17.670 0.099 -2.099 256 HG21 VAL 32 HG21 VAL 32 -18.335 0.788 0.144 257 HG22 VAL 32 HG22 VAL 32 -17.710 2.276 0.854 258 HG23 VAL 32 HG23 VAL 32 -16.669 0.861 0.718 259 H TYR 33 HN TYR 33 -17.383 4.649 -1.548 260 HA TYR 33 HA TYR 33 -16.462 6.269 0.720 261 HB2 TYR 33 HB2 TYR 33 -18.037 7.179 -1.694 262 HB3 TYR 33 HB1 TYR 33 -17.334 8.202 -0.449 263 HD1 TYR 33 HD1 TYR 33 -14.717 7.888 -0.126 264 HD2 TYR 33 HD2 TYR 33 -16.859 6.905 -3.667 265 HE1 TYR 33 HE1 TYR 33 -12.637 8.042 -1.420 266 HE2 TYR 33 HE2 TYR 33 -14.785 7.058 -4.970 267 HH TYR 33 HH TYR 33 -11.702 7.229 -3.509 268 H ARG 34 HN ARG 34 -17.667 5.704 2.422 269 HA ARG 34 HA ARG 34 -20.584 5.693 2.108 270 HB2 ARG 34 HB2 ARG 34 -18.766 4.554 4.234 271 HB3 ARG 34 HB1 ARG 34 -20.491 4.786 4.517 272 HG2 ARG 34 HG2 ARG 34 -20.952 3.375 2.533 273 HG3 ARG 34 HG1 ARG 34 -19.221 3.062 2.403 274 HD2 ARG 34 HD2 ARG 34 -19.212 2.024 4.588 275 HD3 ARG 34 HD1 ARG 34 -20.912 2.430 4.818 276 HE ARG 34 HE ARG 34 -20.870 0.962 2.518 277 HH11 ARG 34 HH11 ARG 34 -19.767 0.422 5.797 278 HH12 ARG 34 HH12 ARG 34 -20.044 -1.290 5.744 279 HH21 ARG 34 HH21 ARG 34 -21.242 -1.289 2.448 280 HH22 ARG 34 HH22 ARG 34 -20.873 -2.262 3.834 281 H ASN 35 HN ASN 35 -21.671 7.403 2.668 282 HA ASN 35 HA ASN 35 -22.088 9.548 3.240 283 HB2 ASN 35 HB2 ASN 35 -22.095 9.997 5.660 284 HB3 ASN 35 HB1 ASN 35 -22.795 8.437 5.263 285 HD21 ASN 35 HD21 ASN 35 -20.146 10.093 6.776 286 HD22 ASN 35 HD22 ASN 35 -19.508 8.722 7.617 287 H GLY 36 HN GLY 36 -19.500 9.256 2.086 288 HA2 GLY 36 HA2 GLY 36 -18.255 11.206 1.483 289 HA3 GLY 36 HA1 GLY 36 -18.424 11.785 3.129 290 H VAL 37 HN VAL 37 -17.646 8.897 3.997 291 HA VAL 37 HA VAL 37 -14.777 9.522 3.895 292 HB VAL 37 HB VAL 37 -15.739 9.340 6.133 293 HG11 VAL 37 HG11 VAL 37 -16.332 6.481 5.399 294 HG12 VAL 37 HG12 VAL 37 -17.512 7.746 5.743 295 HG13 VAL 37 HG13 VAL 37 -16.450 7.161 7.022 296 HG21 VAL 37 HG21 VAL 37 -14.114 7.764 7.091 297 HG22 VAL 37 HG22 VAL 37 -13.403 8.809 5.862 298 HG23 VAL 37 HG23 VAL 37 -13.801 7.136 5.472 299 H ARG 38 HN ARG 38 -13.281 8.164 3.200 300 HA ARG 38 HA ARG 38 -14.117 6.049 1.432 301 HB2 ARG 38 HB2 ARG 38 -12.273 7.579 0.834 302 HB3 ARG 38 HB1 ARG 38 -11.345 6.980 2.200 303 HG2 ARG 38 HG2 ARG 38 -11.302 4.748 1.190 304 HG3 ARG 38 HG1 ARG 38 -12.233 5.357 -0.179 305 HD2 ARG 38 HD2 ARG 38 -9.902 5.269 -0.780 306 HD3 ARG 38 HD1 ARG 38 -10.410 6.952 -0.663 307 HE ARG 38 HE ARG 38 -9.408 6.409 1.801 308 HH11 ARG 38 HH11 ARG 38 -8.141 6.084 -1.446 309 HH12 ARG 38 HH12 ARG 38 -6.496 6.336 -0.967 310 HH21 ARG 38 HH21 ARG 38 -7.256 6.747 2.442 311 HH22 ARG 38 HH22 ARG 38 -5.987 6.696 1.261 312 H VAL 39 HN VAL 39 -14.923 4.425 2.592 313 HA VAL 39 HA VAL 39 -13.541 3.433 4.948 314 HB VAL 39 HB VAL 39 -16.033 3.857 4.837 315 HG11 VAL 39 HG11 VAL 39 -17.414 2.096 3.859 316 HG12 VAL 39 HG12 VAL 39 -15.961 1.359 3.185 317 HG13 VAL 39 HG13 VAL 39 -16.462 2.963 2.656 318 HG21 VAL 39 HG21 VAL 39 -15.024 2.525 6.618 319 HG22 VAL 39 HG22 VAL 39 -15.179 1.077 5.622 320 HG23 VAL 39 HG23 VAL 39 -16.623 1.928 6.177 321 H CYS 40 HN CYS 40 -12.632 1.393 5.091 322 HA CYS 40 HA CYS 40 -12.686 -0.256 2.673 323 HB2 CYS 40 HB2 CYS 40 -10.231 -0.656 2.990 324 HB3 CYS 40 HB1 CYS 40 -10.648 0.969 2.489 325 HG CYS 40 HG CYS 40 -10.536 0.826 5.774 326 H HIS 41 HN HIS 41 -12.979 -2.344 3.035 327 HA HIS 41 HA HIS 41 -12.143 -3.454 5.632 328 HB2 HIS 41 HB2 HIS 41 -14.009 -5.068 5.529 329 HB3 HIS 41 HB1 HIS 41 -14.553 -3.419 5.719 330 HD1 HIS 41 HD1 HIS 41 -15.432 -6.360 4.041 331 HD2 HIS 41 HD2 HIS 41 -15.228 -2.372 2.878 332 HE1 HIS 41 HE1 HIS 41 -16.855 -6.185 1.976 333 HE2 HIS 41 HE2 HIS 41 -16.810 -3.741 1.356 334 H ARG 42 HN ARG 42 -11.485 -5.644 5.562 335 HA ARG 42 HA ARG 42 -10.137 -6.126 3.017 336 HB2 ARG 42 HB2 ARG 42 -8.690 -7.656 4.215 337 HB3 ARG 42 HB1 ARG 42 -8.761 -6.113 5.051 338 HG2 ARG 42 HG2 ARG 42 -10.141 -7.007 6.757 339 HG3 ARG 42 HG1 ARG 42 -10.411 -8.496 5.846 340 HD2 ARG 42 HD2 ARG 42 -7.756 -7.558 6.931 341 HD3 ARG 42 HD1 ARG 42 -8.774 -8.800 7.658 342 HE ARG 42 HE ARG 42 -8.280 -9.527 5.004 343 HH11 ARG 42 HH11 ARG 42 -6.506 -9.145 7.999 344 HH12 ARG 42 HH12 ARG 42 -5.330 -10.358 7.602 345 HH21 ARG 42 HH21 ARG 42 -6.734 -11.105 4.476 346 HH22 ARG 42 HH22 ARG 42 -5.462 -11.476 5.593 347 H ARG 43 HN ARG 43 -10.330 -7.930 1.803 348 HA ARG 43 HA ARG 43 -12.746 -9.429 2.035 349 HB2 ARG 43 HB2 ARG 43 -10.364 -9.727 0.200 350 HB3 ARG 43 HB1 ARG 43 -11.835 -10.676 0.062 351 HG2 ARG 43 HG2 ARG 43 -13.123 -8.752 -0.467 352 HG3 ARG 43 HG1 ARG 43 -11.782 -7.674 -0.081 353 HD2 ARG 43 HD2 ARG 43 -12.081 -7.965 -2.506 354 HD3 ARG 43 HD1 ARG 43 -10.510 -8.532 -1.948 355 HE ARG 43 HE ARG 43 -12.541 -10.582 -2.136 356 HH11 ARG 43 HH11 ARG 43 -9.991 -8.852 -3.798 357 HH12 ARG 43 HH12 ARG 43 -9.695 -10.123 -4.942 358 HH21 ARG 43 HH21 ARG 43 -12.164 -12.259 -3.648 359 HH22 ARG 43 HH22 ARG 43 -10.939 -12.062 -4.863 360 H ALA 44 HN ALA 44 -12.965 -11.601 2.452 361 HA ALA 44 HA ALA 44 -10.895 -12.713 4.187 362 HB1 ALA 44 HB1 ALA 44 -12.669 -14.198 5.020 363 HB2 ALA 44 HB2 ALA 44 -13.803 -13.464 3.886 364 HB3 ALA 44 HB3 ALA 44 -13.101 -12.496 5.182 365 H ASN 45 HN ASN 45 -9.538 -14.014 3.216 366 HA ASN 45 HA ASN 45 -9.994 -15.318 0.751 367 HB2 ASN 45 HB2 ASN 45 -7.884 -15.676 2.876 368 HB3 ASN 45 HB1 ASN 45 -7.892 -16.615 1.386 369 HD21 ASN 45 HD21 ASN 45 -7.452 -15.597 -0.558 370 HD22 ASN 45 HD22 ASN 45 -6.716 -14.035 -0.630 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 5.900 -3.200 -28.657 2 H2 ARG 1 HT2 ARG 1 5.384 -2.969 -30.250 3 H3 ARG 1 HT3 ARG 1 5.924 -1.654 -29.339 4 HA ARG 1 HA ARG 1 7.569 -3.960 -30.178 5 HB2 ARG 1 HB2 ARG 1 8.709 -2.382 -31.659 6 HB3 ARG 1 HB1 ARG 1 7.005 -2.503 -32.062 7 HG2 ARG 1 HG2 ARG 1 6.580 -0.397 -30.890 8 HG3 ARG 1 HG1 ARG 1 8.296 -0.278 -30.498 9 HD2 ARG 1 HD2 ARG 1 8.783 -0.307 -32.941 10 HD3 ARG 1 HD1 ARG 1 7.047 -0.240 -33.237 11 HE ARG 1 HE ARG 1 7.931 1.858 -31.516 12 HH11 ARG 1 HH11 ARG 1 7.680 0.872 -34.860 13 HH12 ARG 1 HH12 ARG 1 7.706 2.493 -35.474 14 HH21 ARG 1 HH21 ARG 1 7.969 3.998 -32.314 15 HH22 ARG 1 HH22 ARG 1 7.869 4.275 -34.023 16 H VAL 2 HN VAL 2 9.216 -4.316 -28.898 17 HA VAL 2 HA VAL 2 10.723 -2.154 -27.718 18 HB VAL 2 HB VAL 2 8.898 -2.546 -26.059 19 HG11 VAL 2 HG11 VAL 2 8.901 -4.618 -24.739 20 HG12 VAL 2 HG12 VAL 2 10.110 -5.297 -25.828 21 HG13 VAL 2 HG13 VAL 2 8.499 -4.906 -26.430 22 HG21 VAL 2 HG21 VAL 2 11.665 -3.317 -25.143 23 HG22 VAL 2 HG22 VAL 2 10.356 -2.777 -24.091 24 HG23 VAL 2 HG23 VAL 2 11.027 -1.680 -25.299 25 H GLN 3 HN GLN 3 12.825 -2.842 -27.103 26 HA GLN 3 HA GLN 3 13.546 -5.443 -28.194 27 HB2 GLN 3 HB2 GLN 3 15.881 -4.671 -27.955 28 HB3 GLN 3 HB1 GLN 3 14.908 -3.597 -28.942 29 HG2 GLN 3 HG2 GLN 3 14.718 -2.037 -27.105 30 HG3 GLN 3 HG1 GLN 3 15.617 -3.134 -26.056 31 HE21 GLN 3 HE21 GLN 3 17.406 -3.908 -28.271 32 HE22 GLN 3 HE22 GLN 3 18.502 -2.585 -28.463 33 H GLY 4 HN GLY 4 13.700 -7.140 -26.977 34 HA2 GLY 4 HA2 GLY 4 13.060 -7.155 -24.268 35 HA3 GLY 4 HA1 GLY 4 13.750 -8.506 -25.149 36 H ARG 5 HN ARG 5 16.222 -7.027 -25.786 37 HA ARG 5 HA ARG 5 17.750 -7.853 -23.590 38 HB2 ARG 5 HB2 ARG 5 19.647 -6.886 -24.688 39 HB3 ARG 5 HB1 ARG 5 18.607 -7.579 -25.924 40 HG2 ARG 5 HG2 ARG 5 17.789 -5.411 -26.537 41 HG3 ARG 5 HG1 ARG 5 18.638 -4.663 -25.186 42 HD2 ARG 5 HD2 ARG 5 19.860 -4.279 -27.229 43 HD3 ARG 5 HD1 ARG 5 20.781 -5.355 -26.179 44 HE ARG 5 HE ARG 5 19.615 -7.154 -27.671 45 HH11 ARG 5 HH11 ARG 5 20.928 -4.074 -28.689 46 HH12 ARG 5 HH12 ARG 5 21.315 -4.618 -30.288 47 HH21 ARG 5 HH21 ARG 5 20.136 -7.884 -29.766 48 HH22 ARG 5 HH22 ARG 5 20.867 -6.794 -30.897 49 H TRP 6 HN TRP 6 16.236 -4.793 -24.314 50 HA TRP 6 HA TRP 6 17.732 -3.514 -22.135 51 HB2 TRP 6 HB2 TRP 6 17.574 -2.500 -24.509 52 HB3 TRP 6 HB1 TRP 6 15.921 -2.079 -24.067 53 HD1 TRP 6 HD1 TRP 6 19.558 -1.323 -23.051 54 HE1 TRP 6 HE1 TRP 6 19.613 0.947 -21.843 55 HE3 TRP 6 HE3 TRP 6 14.527 -0.399 -22.804 56 HZ2 TRP 6 HZ2 TRP 6 17.777 2.873 -20.916 57 HZ3 TRP 6 HZ3 TRP 6 13.764 1.686 -21.743 58 HH2 TRP 6 HH2 TRP 6 15.357 3.287 -20.818 59 H LYS 7 HN LYS 7 14.864 -5.078 -22.693 60 HA LYS 7 HA LYS 7 13.024 -3.448 -21.298 61 HB2 LYS 7 HB2 LYS 7 12.379 -5.325 -22.802 62 HB3 LYS 7 HB1 LYS 7 12.967 -6.459 -21.594 63 HG2 LYS 7 HG2 LYS 7 11.289 -5.752 -20.030 64 HG3 LYS 7 HG1 LYS 7 10.768 -4.459 -21.109 65 HD2 LYS 7 HD2 LYS 7 10.029 -6.105 -22.747 66 HD3 LYS 7 HD1 LYS 7 10.596 -7.413 -21.707 67 HE2 LYS 7 HE2 LYS 7 9.006 -6.767 -19.990 68 HE3 LYS 7 HE1 LYS 7 8.473 -5.404 -20.971 69 HZ1 LYS 7 HZ1 LYS 7 7.620 -6.913 -22.609 70 HZ2 LYS 7 HZ2 LYS 7 6.979 -7.327 -21.101 71 HZ3 LYS 7 HZ3 LYS 7 8.227 -8.249 -21.771 72 H VAL 8 HN VAL 8 15.636 -5.360 -20.250 73 HA VAL 8 HA VAL 8 14.856 -5.947 -17.617 74 HB VAL 8 HB VAL 8 17.259 -6.066 -17.106 75 HG11 VAL 8 HG11 VAL 8 16.195 -7.975 -18.144 76 HG12 VAL 8 HG12 VAL 8 17.848 -7.807 -18.735 77 HG13 VAL 8 HG13 VAL 8 16.494 -7.301 -19.746 78 HG21 VAL 8 HG21 VAL 8 18.921 -5.609 -18.846 79 HG22 VAL 8 HG22 VAL 8 18.034 -4.153 -18.399 80 HG23 VAL 8 HG23 VAL 8 17.647 -4.996 -19.900 81 H ARG 9 HN ARG 9 15.680 -2.976 -19.151 82 HA ARG 9 HA ARG 9 16.216 -1.599 -16.645 83 HB2 ARG 9 HB2 ARG 9 16.044 -0.577 -19.488 84 HB3 ARG 9 HB1 ARG 9 16.474 0.407 -18.097 85 HG2 ARG 9 HG2 ARG 9 18.016 -1.984 -19.086 86 HG3 ARG 9 HG1 ARG 9 18.437 -0.294 -19.375 87 HD2 ARG 9 HD2 ARG 9 18.696 0.066 -16.985 88 HD3 ARG 9 HD1 ARG 9 18.212 -1.596 -16.665 89 HE ARG 9 HE ARG 9 20.334 -1.889 -18.304 90 HH11 ARG 9 HH11 ARG 9 19.842 -0.053 -15.370 91 HH12 ARG 9 HH12 ARG 9 21.483 -0.221 -14.834 92 HH21 ARG 9 HH21 ARG 9 22.499 -2.116 -17.603 93 HH22 ARG 9 HH22 ARG 9 22.993 -1.393 -16.104 94 H ALA 10 HN ALA 10 13.557 -2.438 -18.550 95 HA ALA 10 HA ALA 10 11.907 -0.187 -17.795 96 HB1 ALA 10 HB1 ALA 10 11.587 -1.240 -19.970 97 HB2 ALA 10 HB2 ALA 10 10.128 -1.364 -18.988 98 HB3 ALA 10 HB3 ALA 10 11.182 -2.764 -19.181 99 H SER 11 HN SER 11 12.870 -3.132 -16.449 100 HA SER 11 HA SER 11 10.561 -3.861 -15.005 101 HB2 SER 11 HB2 SER 11 12.095 -5.229 -13.649 102 HB3 SER 11 HB1 SER 11 12.448 -5.399 -15.368 103 HG SER 11 HG SER 11 14.346 -4.517 -15.068 104 H PHE 12 HN PHE 12 13.109 -1.550 -14.430 105 HA PHE 12 HA PHE 12 12.695 -1.123 -11.683 106 HB2 PHE 12 HB2 PHE 12 13.732 0.771 -13.799 107 HB3 PHE 12 HB1 PHE 12 13.822 1.060 -12.063 108 HD1 PHE 12 HD1 PHE 12 15.372 -0.485 -14.893 109 HD2 PHE 12 HD2 PHE 12 15.137 -0.577 -10.645 110 HE1 PHE 12 HE1 PHE 12 17.501 -1.714 -14.805 111 HE2 PHE 12 HE2 PHE 12 17.267 -1.806 -10.553 112 HZ PHE 12 HZ PHE 12 18.452 -2.375 -12.635 113 H PHE 13 HN PHE 13 11.216 0.321 -14.544 114 HA PHE 13 HA PHE 13 9.703 2.260 -13.137 115 HB2 PHE 13 HB2 PHE 13 9.286 1.035 -15.866 116 HB3 PHE 13 HB1 PHE 13 8.352 2.389 -15.239 117 HD1 PHE 13 HD1 PHE 13 9.394 4.576 -14.925 118 HD2 PHE 13 HD2 PHE 13 11.527 1.321 -16.639 119 HE1 PHE 13 HE1 PHE 13 11.087 6.143 -15.777 120 HE2 PHE 13 HE2 PHE 13 13.225 2.880 -17.500 121 HZ PHE 13 HZ PHE 13 13.006 5.295 -17.067 122 H LYS 14 HN LYS 14 9.241 -1.059 -13.929 123 HA LYS 14 HA LYS 14 6.457 -1.190 -13.320 124 HB2 LYS 14 HB2 LYS 14 7.647 -2.838 -14.751 125 HB3 LYS 14 HB1 LYS 14 8.519 -3.404 -13.333 126 HG2 LYS 14 HG2 LYS 14 6.366 -4.053 -12.314 127 HG3 LYS 14 HG1 LYS 14 5.549 -3.569 -13.801 128 HD2 LYS 14 HD2 LYS 14 7.652 -5.719 -13.542 129 HD3 LYS 14 HD1 LYS 14 5.921 -5.977 -13.756 130 HE2 LYS 14 HE2 LYS 14 6.037 -4.831 -15.926 131 HE3 LYS 14 HE1 LYS 14 7.775 -4.622 -15.711 132 HZ1 LYS 14 HZ1 LYS 14 8.038 -7.012 -15.699 133 HZ2 LYS 14 HZ2 LYS 14 7.259 -6.521 -17.114 134 HZ3 LYS 14 HZ3 LYS 14 6.368 -7.230 -15.861 135 H GLU 15 HN GLU 15 9.433 -1.960 -11.565 136 HA GLU 15 HA GLU 15 8.216 -2.728 -9.132 137 HB2 GLU 15 HB2 GLU 15 10.575 -3.214 -9.750 138 HB3 GLU 15 HB1 GLU 15 10.949 -1.506 -9.589 139 HG2 GLU 15 HG2 GLU 15 11.685 -2.577 -7.617 140 HG3 GLU 15 HG1 GLU 15 10.239 -1.660 -7.200 141 H ALA 16 HN ALA 16 9.456 0.350 -10.340 142 HA ALA 16 HA ALA 16 9.012 1.888 -8.043 143 HB1 ALA 16 HB1 ALA 16 9.245 3.810 -9.481 144 HB2 ALA 16 HB2 ALA 16 8.932 2.824 -10.907 145 HB3 ALA 16 HB3 ALA 16 10.407 2.576 -9.970 146 H ALA 17 HN ALA 17 6.912 1.126 -10.786 147 HA ALA 17 HA ALA 17 4.773 2.821 -10.125 148 HB1 ALA 17 HB1 ALA 17 4.674 0.167 -11.555 149 HB2 ALA 17 HB2 ALA 17 4.995 1.729 -12.305 150 HB3 ALA 17 HB3 ALA 17 3.421 1.409 -11.579 151 H ALA 18 HN ALA 18 5.508 -0.498 -9.165 152 HA ALA 18 HA ALA 18 3.108 -0.847 -7.668 153 HB1 ALA 18 HB1 ALA 18 5.707 -2.373 -7.539 154 HB2 ALA 18 HB2 ALA 18 4.328 -2.755 -8.568 155 HB3 ALA 18 HB3 ALA 18 4.179 -2.877 -6.815 156 H LYS 19 HN LYS 19 6.142 0.635 -7.063 157 HA LYS 19 HA LYS 19 6.036 0.431 -4.199 158 HB2 LYS 19 HB2 LYS 19 8.154 0.634 -5.536 159 HB3 LYS 19 HB1 LYS 19 7.716 2.300 -5.875 160 HG2 LYS 19 HG2 LYS 19 7.807 2.832 -3.510 161 HG3 LYS 19 HG1 LYS 19 8.177 1.149 -3.130 162 HD2 LYS 19 HD2 LYS 19 10.238 1.333 -4.477 163 HD3 LYS 19 HD1 LYS 19 9.877 3.037 -4.761 164 HE2 LYS 19 HE2 LYS 19 10.389 1.733 -2.089 165 HE3 LYS 19 HE1 LYS 19 11.494 2.794 -2.963 166 HZ1 LYS 19 HZ1 LYS 19 8.857 3.538 -1.819 167 HZ2 LYS 19 HZ2 LYS 19 9.809 4.561 -2.768 168 HZ3 LYS 19 HZ3 LYS 19 10.375 4.034 -1.268 169 H GLU 20 HN GLU 20 5.294 2.907 -6.616 170 HA GLU 20 HA GLU 20 4.612 4.891 -4.669 171 HB2 GLU 20 HB2 GLU 20 3.711 6.160 -6.591 172 HB3 GLU 20 HB1 GLU 20 5.356 5.601 -6.855 173 HG2 GLU 20 HG2 GLU 20 4.536 3.786 -8.244 174 HG3 GLU 20 HG1 GLU 20 2.875 4.297 -7.949 175 H ALA 21 HN ALA 21 2.890 2.365 -6.343 176 HA ALA 21 HA ALA 21 0.260 3.222 -5.804 177 HB1 ALA 21 HB1 ALA 21 0.753 1.455 -7.412 178 HB2 ALA 21 HB2 ALA 21 -0.382 0.890 -6.186 179 HB3 ALA 21 HB3 ALA 21 1.313 0.411 -6.107 180 H ALA 22 HN ALA 22 2.656 1.546 -3.902 181 HA ALA 22 HA ALA 22 0.878 0.698 -1.831 182 HB1 ALA 22 HB1 ALA 22 2.969 -0.477 -2.316 183 HB2 ALA 22 HB2 ALA 22 2.895 0.058 -0.638 184 HB3 ALA 22 HB3 ALA 22 3.881 0.943 -1.802 185 H ALA 23 HN ALA 23 1.804 3.711 -2.670 186 HA ALA 23 HA ALA 23 2.046 4.690 0.074 187 HB1 ALA 23 HB1 ALA 23 2.404 6.186 -2.518 188 HB2 ALA 23 HB2 ALA 23 3.703 5.461 -1.573 189 HB3 ALA 23 HB3 ALA 23 2.760 6.788 -0.899 190 H LYS 24 HN LYS 24 -0.325 4.086 -2.162 191 HA LYS 24 HA LYS 24 -2.107 6.041 -0.906 192 HB2 LYS 24 HB2 LYS 24 -1.744 5.625 -3.862 193 HB3 LYS 24 HB1 LYS 24 -3.218 6.314 -3.195 194 HG2 LYS 24 HG2 LYS 24 -1.881 8.109 -2.168 195 HG3 LYS 24 HG1 LYS 24 -0.436 7.433 -2.921 196 HD2 LYS 24 HD2 LYS 24 -1.341 7.833 -5.120 197 HD3 LYS 24 HD1 LYS 24 -2.873 8.373 -4.431 198 HE2 LYS 24 HE2 LYS 24 -1.525 10.276 -5.118 199 HE3 LYS 24 HE1 LYS 24 -1.721 10.258 -3.368 200 HZ1 LYS 24 HZ1 LYS 24 0.485 9.301 -3.169 201 HZ2 LYS 24 HZ2 LYS 24 0.549 10.770 -4.001 202 HZ3 LYS 24 HZ3 LYS 24 0.669 9.310 -4.849 203 H GLY 25 HN GLY 25 -1.985 3.195 -3.065 204 HA2 GLY 25 HA2 GLY 25 -3.995 1.875 -1.503 205 HA3 GLY 25 HA1 GLY 25 -4.624 2.474 -3.029 206 H PHE 26 HN PHE 26 -2.123 0.417 -1.618 207 HA PHE 26 HA PHE 26 -2.112 -1.144 -4.102 208 HB2 PHE 26 HB2 PHE 26 0.093 -0.379 -3.261 209 HB3 PHE 26 HB1 PHE 26 -0.191 -1.265 -1.767 210 HD1 PHE 26 HD1 PHE 26 0.193 -3.604 -1.636 211 HD2 PHE 26 HD2 PHE 26 0.413 -1.604 -5.386 212 HE1 PHE 26 HE1 PHE 26 1.216 -5.603 -2.639 213 HE2 PHE 26 HE2 PHE 26 1.437 -3.601 -6.396 214 HZ PHE 26 HZ PHE 26 1.839 -5.605 -5.020 215 H ALA 27 HN ALA 27 -3.138 -1.069 -0.889 216 HA ALA 27 HA ALA 27 -3.315 -3.832 -0.311 217 HB1 ALA 27 HB1 ALA 27 -4.954 -1.554 0.798 218 HB2 ALA 27 HB2 ALA 27 -3.397 -2.103 1.422 219 HB3 ALA 27 HB3 ALA 27 -4.804 -3.165 1.499 220 H TRP 28 HN TRP 28 -4.845 -5.314 -0.758 221 HA TRP 28 HA TRP 28 -6.779 -4.681 -2.793 222 HB2 TRP 28 HB2 TRP 28 -5.291 -6.858 -2.384 223 HB3 TRP 28 HB1 TRP 28 -6.724 -7.351 -1.482 224 HD1 TRP 28 HD1 TRP 28 -5.927 -5.929 -4.979 225 HE1 TRP 28 HE1 TRP 28 -7.508 -7.054 -6.685 226 HE3 TRP 28 HE3 TRP 28 -8.657 -8.801 -1.764 227 HZ2 TRP 28 HZ2 TRP 28 -9.634 -8.912 -6.651 228 HZ3 TRP 28 HZ3 TRP 28 -10.446 -10.222 -2.674 229 HH2 TRP 28 HH2 TRP 28 -10.922 -10.276 -5.067 230 H ASN 29 HN ASN 29 -7.028 -3.778 0.118 231 HA ASN 29 HA ASN 29 -9.262 -5.067 1.254 232 HB2 ASN 29 HB2 ASN 29 -8.151 -2.285 1.647 233 HB3 ASN 29 HB1 ASN 29 -9.473 -2.952 2.600 234 HD21 ASN 29 HD21 ASN 29 -6.841 -2.065 3.451 235 HD22 ASN 29 HD22 ASN 29 -6.106 -3.427 4.224 236 H VAL 30 HN VAL 30 -11.388 -4.112 1.538 237 HA VAL 30 HA VAL 30 -12.401 -3.082 -0.988 238 HB VAL 30 HB VAL 30 -14.082 -3.634 1.442 239 HG11 VAL 30 HG11 VAL 30 -14.642 -3.795 -1.513 240 HG12 VAL 30 HG12 VAL 30 -15.150 -2.509 -0.417 241 HG13 VAL 30 HG13 VAL 30 -15.799 -4.137 -0.225 242 HG21 VAL 30 HG21 VAL 30 -13.137 -5.694 -0.544 243 HG22 VAL 30 HG22 VAL 30 -14.408 -5.938 0.657 244 HG23 VAL 30 HG23 VAL 30 -12.753 -5.627 1.178 245 H CYS 31 HN CYS 31 -11.901 -0.941 -1.062 246 HA CYS 31 HA CYS 31 -12.808 0.690 1.202 247 HB2 CYS 31 HB2 CYS 31 -10.336 0.678 0.299 248 HB3 CYS 31 HB1 CYS 31 -10.999 1.814 -0.867 249 HG CYS 31 HG CYS 31 -9.760 2.551 1.935 250 H VAL 32 HN VAL 32 -14.285 2.113 0.935 251 HA VAL 32 HA VAL 32 -15.199 2.932 -1.722 252 HB VAL 32 HB VAL 32 -17.534 2.369 -1.288 253 HG11 VAL 32 HG11 VAL 32 -16.249 0.729 -2.512 254 HG12 VAL 32 HG12 VAL 32 -17.422 -0.080 -1.474 255 HG13 VAL 32 HG13 VAL 32 -15.722 -0.021 -1.005 256 HG21 VAL 32 HG21 VAL 32 -18.166 0.938 0.603 257 HG22 VAL 32 HG22 VAL 32 -17.533 2.498 1.126 258 HG23 VAL 32 HG23 VAL 32 -16.522 1.057 1.229 259 H TYR 33 HN TYR 33 -16.937 4.643 -1.489 260 HA TYR 33 HA TYR 33 -16.195 6.329 0.766 261 HB2 TYR 33 HB2 TYR 33 -17.632 6.914 -1.817 262 HB3 TYR 33 HB1 TYR 33 -17.535 8.084 -0.507 263 HD1 TYR 33 HD1 TYR 33 -15.321 5.927 -2.617 264 HD2 TYR 33 HD2 TYR 33 -15.737 9.547 -0.419 265 HE1 TYR 33 HE1 TYR 33 -13.100 6.642 -3.383 266 HE2 TYR 33 HE2 TYR 33 -13.522 10.273 -1.189 267 HH TYR 33 HH TYR 33 -11.837 8.705 -3.706 268 H ARG 34 HN ARG 34 -17.239 5.406 2.420 269 HA ARG 34 HA ARG 34 -20.126 5.013 2.301 270 HB2 ARG 34 HB2 ARG 34 -18.912 3.197 3.280 271 HB3 ARG 34 HB1 ARG 34 -17.990 4.279 4.311 272 HG2 ARG 34 HG2 ARG 34 -19.856 4.696 5.694 273 HG3 ARG 34 HG1 ARG 34 -20.957 3.914 4.561 274 HD2 ARG 34 HD2 ARG 34 -19.851 1.772 4.971 275 HD3 ARG 34 HD1 ARG 34 -18.746 2.558 6.096 276 HE ARG 34 HE ARG 34 -21.151 3.169 7.132 277 HH11 ARG 34 HH11 ARG 34 -19.781 0.130 6.062 278 HH12 ARG 34 HH12 ARG 34 -20.639 -0.815 7.235 279 HH21 ARG 34 HH21 ARG 34 -22.302 1.916 8.663 280 HH22 ARG 34 HH22 ARG 34 -22.079 0.197 8.706 281 H ASN 35 HN ASN 35 -21.373 6.679 2.791 282 HA ASN 35 HA ASN 35 -22.166 8.604 3.697 283 HB2 ASN 35 HB2 ASN 35 -21.790 7.413 5.848 284 HB3 ASN 35 HB1 ASN 35 -20.161 8.069 5.912 285 HD21 ASN 35 HD21 ASN 35 -19.847 10.069 6.706 286 HD22 ASN 35 HD22 ASN 35 -21.112 11.098 7.286 287 H GLY 36 HN GLY 36 -19.656 8.386 2.001 288 HA2 GLY 36 HA2 GLY 36 -18.829 10.267 0.795 289 HA3 GLY 36 HA1 GLY 36 -18.961 11.224 2.260 290 H VAL 37 HN VAL 37 -17.663 8.786 3.681 291 HA VAL 37 HA VAL 37 -14.937 9.722 3.118 292 HB VAL 37 HB VAL 37 -15.700 9.995 5.427 293 HG11 VAL 37 HG11 VAL 37 -17.246 8.133 5.590 294 HG12 VAL 37 HG12 VAL 37 -16.047 8.056 6.880 295 HG13 VAL 37 HG13 VAL 37 -15.905 6.993 5.481 296 HG21 VAL 37 HG21 VAL 37 -13.332 9.677 5.004 297 HG22 VAL 37 HG22 VAL 37 -13.529 7.930 5.142 298 HG23 VAL 37 HG23 VAL 37 -13.792 8.963 6.548 299 H ARG 38 HN ARG 38 -13.282 8.357 2.719 300 HA ARG 38 HA ARG 38 -14.047 5.959 1.327 301 HB2 ARG 38 HB2 ARG 38 -12.430 7.572 0.409 302 HB3 ARG 38 HB1 ARG 38 -11.342 7.235 1.743 303 HG2 ARG 38 HG2 ARG 38 -11.007 4.988 0.974 304 HG3 ARG 38 HG1 ARG 38 -12.231 5.189 -0.281 305 HD2 ARG 38 HD2 ARG 38 -9.973 5.405 -1.197 306 HD3 ARG 38 HD1 ARG 38 -10.877 6.909 -1.345 307 HE ARG 38 HE ARG 38 -9.501 7.143 1.015 308 HH11 ARG 38 HH11 ARG 38 -8.617 6.564 -2.321 309 HH12 ARG 38 HH12 ARG 38 -7.094 7.378 -2.188 310 HH21 ARG 38 HH21 ARG 38 -7.500 8.201 1.194 311 HH22 ARG 38 HH22 ARG 38 -6.456 8.306 -0.187 312 H VAL 39 HN VAL 39 -14.568 4.352 2.641 313 HA VAL 39 HA VAL 39 -12.918 3.746 4.988 314 HB VAL 39 HB VAL 39 -15.373 4.218 5.243 315 HG11 VAL 39 HG11 VAL 39 -16.172 3.129 3.251 316 HG12 VAL 39 HG12 VAL 39 -16.949 2.443 4.678 317 HG13 VAL 39 HG13 VAL 39 -15.647 1.567 3.871 318 HG21 VAL 39 HG21 VAL 39 -15.793 2.408 6.825 319 HG22 VAL 39 HG22 VAL 39 -14.145 3.024 6.973 320 HG23 VAL 39 HG23 VAL 39 -14.445 1.497 6.142 321 H CYS 40 HN CYS 40 -11.952 1.747 5.235 322 HA CYS 40 HA CYS 40 -12.248 -0.091 2.954 323 HB2 CYS 40 HB2 CYS 40 -9.920 -0.762 3.312 324 HB3 CYS 40 HB1 CYS 40 -10.037 0.968 3.030 325 HG CYS 40 HG CYS 40 -8.983 1.765 5.243 326 H HIS 41 HN HIS 41 -12.510 -2.245 3.336 327 HA HIS 41 HA HIS 41 -12.354 -3.231 6.068 328 HB2 HIS 41 HB2 HIS 41 -14.584 -4.342 5.878 329 HB3 HIS 41 HB1 HIS 41 -14.654 -2.594 6.024 330 HD1 HIS 41 HD1 HIS 41 -15.780 -5.388 3.982 331 HD2 HIS 41 HD2 HIS 41 -15.307 -1.291 3.486 332 HE1 HIS 41 HE1 HIS 41 -17.189 -4.780 1.993 333 HE2 HIS 41 HE2 HIS 41 -17.026 -2.275 1.825 334 H ARG 42 HN ARG 42 -12.769 -5.620 6.147 335 HA ARG 42 HA ARG 42 -10.958 -6.936 4.450 336 HB2 ARG 42 HB2 ARG 42 -13.113 -8.079 6.234 337 HB3 ARG 42 HB1 ARG 42 -11.813 -9.012 5.505 338 HG2 ARG 42 HG2 ARG 42 -10.183 -7.613 6.744 339 HG3 ARG 42 HG1 ARG 42 -11.540 -6.816 7.547 340 HD2 ARG 42 HD2 ARG 42 -10.599 -8.604 8.929 341 HD3 ARG 42 HD1 ARG 42 -12.266 -8.945 8.468 342 HE ARG 42 HE ARG 42 -9.963 -10.146 7.067 343 HH11 ARG 42 HH11 ARG 42 -13.080 -10.431 8.644 344 HH12 ARG 42 HH12 ARG 42 -13.261 -12.111 8.256 345 HH21 ARG 42 HH21 ARG 42 -10.204 -12.363 6.565 346 HH22 ARG 42 HH22 ARG 42 -11.631 -13.208 7.076 347 H ARG 43 HN ARG 43 -11.435 -8.817 3.074 348 HA ARG 43 HA ARG 43 -13.594 -8.095 1.251 349 HB2 ARG 43 HB2 ARG 43 -11.210 -9.885 0.853 350 HB3 ARG 43 HB1 ARG 43 -12.432 -9.556 -0.367 351 HG2 ARG 43 HG2 ARG 43 -10.910 -8.018 -0.980 352 HG3 ARG 43 HG1 ARG 43 -11.782 -7.060 0.206 353 HD2 ARG 43 HD2 ARG 43 -9.375 -6.855 0.524 354 HD3 ARG 43 HD1 ARG 43 -10.129 -7.651 1.907 355 HE ARG 43 HE ARG 43 -9.375 -9.705 0.311 356 HH11 ARG 43 HH11 ARG 43 -7.672 -6.978 1.692 357 HH12 ARG 43 HH12 ARG 43 -6.149 -7.800 1.750 358 HH21 ARG 43 HH21 ARG 43 -7.380 -10.790 0.382 359 HH22 ARG 43 HH22 ARG 43 -5.982 -9.974 1.012 360 H ALA 44 HN ALA 44 -15.068 -9.522 0.494 361 HA ALA 44 HA ALA 44 -15.302 -12.075 1.946 362 HB1 ALA 44 HB1 ALA 44 -17.107 -10.528 2.504 363 HB2 ALA 44 HB2 ALA 44 -17.725 -11.916 1.609 364 HB3 ALA 44 HB3 ALA 44 -17.508 -10.367 0.794 365 H ASN 45 HN ASN 45 -14.123 -11.018 -0.737 366 HA ASN 45 HA ASN 45 -15.502 -12.776 -2.616 367 HB2 ASN 45 HB2 ASN 45 -14.925 -10.496 -3.355 368 HB3 ASN 45 HB1 ASN 45 -13.225 -10.821 -3.040 369 HD21 ASN 45 HD21 ASN 45 -12.656 -10.418 -5.156 370 HD22 ASN 45 HD22 ASN 45 -13.013 -11.520 -6.439 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 28.585 -2.860 -2.784 2 H2 ARG 1 HT2 ARG 1 28.671 -1.733 -1.529 3 H3 ARG 1 HT3 ARG 1 29.924 -2.842 -1.755 4 HA ARG 1 HA ARG 1 30.547 -0.658 -2.550 5 HB2 ARG 1 HB2 ARG 1 30.091 -2.617 -4.812 6 HB3 ARG 1 HB1 ARG 1 31.241 -1.291 -4.813 7 HG2 ARG 1 HG2 ARG 1 32.411 -2.385 -2.910 8 HG3 ARG 1 HG1 ARG 1 31.323 -3.762 -3.102 9 HD2 ARG 1 HD2 ARG 1 33.305 -2.695 -5.105 10 HD3 ARG 1 HD1 ARG 1 33.360 -4.246 -4.267 11 HE ARG 1 HE ARG 1 30.969 -4.189 -5.665 12 HH11 ARG 1 HH11 ARG 1 34.385 -4.076 -6.407 13 HH12 ARG 1 HH12 ARG 1 34.199 -4.810 -7.966 14 HH21 ARG 1 HH21 ARG 1 30.720 -5.143 -7.723 15 HH22 ARG 1 HH22 ARG 1 32.114 -5.417 -8.716 16 H VAL 2 HN VAL 2 30.306 0.526 -4.866 17 HA VAL 2 HA VAL 2 27.768 1.780 -4.763 18 HB VAL 2 HB VAL 2 29.689 3.083 -5.417 19 HG11 VAL 2 HG11 VAL 2 30.839 2.752 -7.559 20 HG12 VAL 2 HG12 VAL 2 29.892 1.289 -7.833 21 HG13 VAL 2 HG13 VAL 2 31.030 1.365 -6.487 22 HG21 VAL 2 HG21 VAL 2 27.559 3.815 -6.303 23 HG22 VAL 2 HG22 VAL 2 27.753 2.767 -7.707 24 HG23 VAL 2 HG23 VAL 2 28.838 4.137 -7.472 25 H GLN 3 HN GLN 3 25.957 1.064 -5.539 26 HA GLN 3 HA GLN 3 25.905 -0.347 -8.112 27 HB2 GLN 3 HB2 GLN 3 24.472 -1.178 -5.582 28 HB3 GLN 3 HB1 GLN 3 24.087 -1.811 -7.173 29 HG2 GLN 3 HG2 GLN 3 26.382 -2.690 -7.346 30 HG3 GLN 3 HG1 GLN 3 26.701 -2.110 -5.711 31 HE21 GLN 3 HE21 GLN 3 27.103 -4.167 -4.924 32 HE22 GLN 3 HE22 GLN 3 25.846 -5.328 -4.683 33 H GLY 4 HN GLY 4 23.617 -0.396 -8.977 34 HA2 GLY 4 HA2 GLY 4 22.583 2.299 -8.817 35 HA3 GLY 4 HA1 GLY 4 22.050 1.037 -9.917 36 H ARG 5 HN ARG 5 22.186 -0.016 -6.722 37 HA ARG 5 HA ARG 5 19.489 -0.647 -6.560 38 HB2 ARG 5 HB2 ARG 5 19.918 -1.035 -4.128 39 HB3 ARG 5 HB1 ARG 5 21.054 -1.839 -5.201 40 HG2 ARG 5 HG2 ARG 5 22.788 -0.372 -4.661 41 HG3 ARG 5 HG1 ARG 5 21.682 0.825 -3.984 42 HD2 ARG 5 HD2 ARG 5 21.231 -0.552 -2.096 43 HD3 ARG 5 HD1 ARG 5 22.106 -1.913 -2.803 44 HE ARG 5 HE ARG 5 23.845 0.284 -2.565 45 HH11 ARG 5 HH11 ARG 5 22.138 -2.016 -0.553 46 HH12 ARG 5 HH12 ARG 5 23.321 -1.978 0.715 47 HH21 ARG 5 HH21 ARG 5 25.414 0.330 -0.909 48 HH22 ARG 5 HH22 ARG 5 25.188 -0.640 0.510 49 H TRP 6 HN TRP 6 21.216 2.156 -5.265 50 HA TRP 6 HA TRP 6 18.775 3.152 -4.044 51 HB2 TRP 6 HB2 TRP 6 20.194 4.971 -3.190 52 HB3 TRP 6 HB1 TRP 6 20.891 3.394 -2.826 53 HD1 TRP 6 HD1 TRP 6 23.182 2.758 -4.021 54 HE1 TRP 6 HE1 TRP 6 24.953 4.167 -5.241 55 HE3 TRP 6 HE3 TRP 6 20.478 7.041 -4.707 56 HZ2 TRP 6 HZ2 TRP 6 25.175 6.752 -6.349 57 HZ3 TRP 6 HZ3 TRP 6 21.544 8.936 -5.856 58 HH2 TRP 6 HH2 TRP 6 23.844 8.795 -6.660 59 H LYS 7 HN LYS 7 20.694 3.593 -6.877 60 HA LYS 7 HA LYS 7 19.757 6.160 -7.612 61 HB2 LYS 7 HB2 LYS 7 21.834 5.152 -8.509 62 HB3 LYS 7 HB1 LYS 7 20.866 3.967 -9.375 63 HG2 LYS 7 HG2 LYS 7 19.832 5.755 -10.674 64 HG3 LYS 7 HG1 LYS 7 20.797 6.945 -9.803 65 HD2 LYS 7 HD2 LYS 7 21.829 6.501 -11.933 66 HD3 LYS 7 HD1 LYS 7 22.845 5.838 -10.653 67 HE2 LYS 7 HE2 LYS 7 21.991 3.612 -11.084 68 HE3 LYS 7 HE1 LYS 7 20.876 4.247 -12.292 69 HZ1 LYS 7 HZ1 LYS 7 23.839 4.344 -12.465 70 HZ2 LYS 7 HZ2 LYS 7 22.764 4.934 -13.628 71 HZ3 LYS 7 HZ3 LYS 7 22.839 3.274 -13.308 72 H VAL 8 HN VAL 8 18.744 2.863 -8.423 73 HA VAL 8 HA VAL 8 16.749 3.595 -10.273 74 HB VAL 8 HB VAL 8 17.677 1.298 -10.050 75 HG11 VAL 8 HG11 VAL 8 16.752 -0.216 -8.364 76 HG12 VAL 8 HG12 VAL 8 15.930 1.145 -7.601 77 HG13 VAL 8 HG13 VAL 8 17.693 1.086 -7.637 78 HG21 VAL 8 HG21 VAL 8 15.557 0.119 -10.448 79 HG22 VAL 8 HG22 VAL 8 15.652 1.650 -11.315 80 HG23 VAL 8 HG23 VAL 8 14.682 1.526 -9.849 81 H ARG 9 HN ARG 9 16.796 3.470 -6.790 82 HA ARG 9 HA ARG 9 13.966 3.646 -6.417 83 HB2 ARG 9 HB2 ARG 9 16.190 4.459 -4.535 84 HB3 ARG 9 HB1 ARG 9 14.504 4.237 -4.099 85 HG2 ARG 9 HG2 ARG 9 16.414 2.107 -5.034 86 HG3 ARG 9 HG1 ARG 9 15.807 2.335 -3.393 87 HD2 ARG 9 HD2 ARG 9 14.162 1.622 -5.818 88 HD3 ARG 9 HD1 ARG 9 14.632 0.524 -4.525 89 HE ARG 9 HE ARG 9 13.201 2.790 -3.541 90 HH11 ARG 9 HH11 ARG 9 12.838 -0.358 -5.013 91 HH12 ARG 9 HH12 ARG 9 11.203 -0.565 -4.472 92 HH21 ARG 9 HH21 ARG 9 11.058 2.512 -2.806 93 HH22 ARG 9 HH22 ARG 9 10.191 1.067 -3.226 94 H ALA 10 HN ALA 10 16.594 5.908 -6.805 95 HA ALA 10 HA ALA 10 14.916 8.212 -6.255 96 HB1 ALA 10 HB1 ALA 10 17.796 8.069 -7.147 97 HB2 ALA 10 HB2 ALA 10 17.242 8.180 -5.477 98 HB3 ALA 10 HB3 ALA 10 16.948 9.513 -6.592 99 H SER 11 HN SER 11 15.248 6.233 -8.840 100 HA SER 11 HA SER 11 15.132 8.382 -10.822 101 HB2 SER 11 HB2 SER 11 16.707 6.442 -11.149 102 HB3 SER 11 HB1 SER 11 15.294 5.404 -11.327 103 HG SER 11 HG SER 11 15.855 7.683 -12.930 104 H PHE 12 HN PHE 12 13.328 5.481 -9.800 105 HA PHE 12 HA PHE 12 11.130 6.258 -11.554 106 HB2 PHE 12 HB2 PHE 12 11.651 3.763 -9.947 107 HB3 PHE 12 HB1 PHE 12 10.151 4.044 -10.819 108 HD1 PHE 12 HD1 PHE 12 10.140 4.130 -13.268 109 HD2 PHE 12 HD2 PHE 12 13.662 3.167 -11.084 110 HE1 PHE 12 HE1 PHE 12 11.156 3.220 -15.315 111 HE2 PHE 12 HE2 PHE 12 14.683 2.255 -13.128 112 HZ PHE 12 HZ PHE 12 13.432 2.281 -15.247 113 H PHE 13 HN PHE 13 11.877 7.551 -8.870 114 HA PHE 13 HA PHE 13 9.825 6.975 -7.030 115 HB2 PHE 13 HB2 PHE 13 10.475 8.975 -5.872 116 HB3 PHE 13 HB1 PHE 13 11.939 8.235 -6.505 117 HD1 PHE 13 HD1 PHE 13 12.906 9.179 -8.664 118 HD2 PHE 13 HD2 PHE 13 9.931 11.180 -6.374 119 HE1 PHE 13 HE1 PHE 13 13.491 11.299 -9.763 120 HE2 PHE 13 HE2 PHE 13 10.509 13.303 -7.472 121 HZ PHE 13 HZ PHE 13 12.292 13.365 -9.169 122 H LYS 14 HN LYS 14 9.997 9.050 -9.796 123 HA LYS 14 HA LYS 14 7.575 10.479 -9.242 124 HB2 LYS 14 HB2 LYS 14 9.312 11.544 -10.545 125 HB3 LYS 14 HB1 LYS 14 9.276 10.249 -11.731 126 HG2 LYS 14 HG2 LYS 14 7.033 10.900 -12.400 127 HG3 LYS 14 HG1 LYS 14 7.028 12.177 -11.182 128 HD2 LYS 14 HD2 LYS 14 8.870 13.287 -12.294 129 HD3 LYS 14 HD1 LYS 14 8.984 11.976 -13.468 130 HE2 LYS 14 HE2 LYS 14 6.752 12.495 -14.287 131 HE3 LYS 14 HE1 LYS 14 6.596 13.775 -13.084 132 HZ1 LYS 14 HZ1 LYS 14 8.385 14.966 -14.130 133 HZ2 LYS 14 HZ2 LYS 14 7.207 14.609 -15.290 134 HZ3 LYS 14 HZ3 LYS 14 8.638 13.713 -15.238 135 H GLU 15 HN GLU 15 8.506 7.667 -11.112 136 HA GLU 15 HA GLU 15 5.979 7.329 -12.390 137 HB2 GLU 15 HB2 GLU 15 8.149 6.400 -13.228 138 HB3 GLU 15 HB1 GLU 15 8.124 5.258 -11.895 139 HG2 GLU 15 HG2 GLU 15 6.161 4.206 -12.747 140 HG3 GLU 15 HG1 GLU 15 5.973 5.447 -13.986 141 H ALA 16 HN ALA 16 7.287 6.564 -9.312 142 HA ALA 16 HA ALA 16 5.448 4.503 -8.607 143 HB1 ALA 16 HB1 ALA 16 7.641 4.709 -7.542 144 HB2 ALA 16 HB2 ALA 16 6.337 4.755 -6.356 145 HB3 ALA 16 HB3 ALA 16 7.149 6.247 -6.831 146 H ALA 17 HN ALA 17 4.859 7.629 -9.258 147 HA ALA 17 HA ALA 17 3.199 8.378 -7.055 148 HB1 ALA 17 HB1 ALA 17 3.271 9.497 -9.850 149 HB2 ALA 17 HB2 ALA 17 4.279 10.034 -8.506 150 HB3 ALA 17 HB3 ALA 17 2.530 10.252 -8.440 151 H ALA 18 HN ALA 18 2.797 5.993 -9.208 152 HA ALA 18 HA ALA 18 -0.018 6.328 -9.751 153 HB1 ALA 18 HB1 ALA 18 0.125 4.141 -10.795 154 HB2 ALA 18 HB2 ALA 18 1.746 3.916 -10.140 155 HB3 ALA 18 HB3 ALA 18 1.449 5.168 -11.344 156 H LYS 19 HN LYS 19 1.516 5.866 -7.025 157 HA LYS 19 HA LYS 19 0.314 3.601 -5.833 158 HB2 LYS 19 HB2 LYS 19 1.014 4.626 -3.705 159 HB3 LYS 19 HB1 LYS 19 2.307 4.642 -4.896 160 HG2 LYS 19 HG2 LYS 19 1.820 6.994 -5.385 161 HG3 LYS 19 HG1 LYS 19 0.540 6.970 -4.172 162 HD2 LYS 19 HD2 LYS 19 2.173 6.469 -2.438 163 HD3 LYS 19 HD1 LYS 19 3.461 6.443 -3.644 164 HE2 LYS 19 HE2 LYS 19 3.013 8.796 -4.160 165 HE3 LYS 19 HE1 LYS 19 1.734 8.818 -2.948 166 HZ1 LYS 19 HZ1 LYS 19 4.597 8.274 -2.387 167 HZ2 LYS 19 HZ2 LYS 19 3.361 8.387 -1.244 168 HZ3 LYS 19 HZ3 LYS 19 3.823 9.753 -2.127 169 H GLU 20 HN GLU 20 -0.892 6.671 -6.673 170 HA GLU 20 HA GLU 20 -2.880 7.070 -4.736 171 HB2 GLU 20 HB2 GLU 20 -3.983 8.469 -6.494 172 HB3 GLU 20 HB1 GLU 20 -2.292 8.861 -6.219 173 HG2 GLU 20 HG2 GLU 20 -1.663 7.617 -8.215 174 HG3 GLU 20 HG1 GLU 20 -3.348 7.172 -8.478 175 H ALA 21 HN ALA 21 -2.639 4.790 -7.271 176 HA ALA 21 HA ALA 21 -5.400 4.327 -7.734 177 HB1 ALA 21 HB1 ALA 21 -3.663 3.680 -9.331 178 HB2 ALA 21 HB2 ALA 21 -4.673 2.309 -8.877 179 HB3 ALA 21 HB3 ALA 21 -3.060 2.482 -8.187 180 H ALA 22 HN ALA 22 -3.376 3.566 -5.111 181 HA ALA 22 HA ALA 22 -4.513 1.107 -4.284 182 HB1 ALA 22 HB1 ALA 22 -3.217 3.239 -2.592 183 HB2 ALA 22 HB2 ALA 22 -2.372 1.934 -3.426 184 HB3 ALA 22 HB3 ALA 22 -3.499 1.562 -2.122 185 H ALA 23 HN ALA 23 -5.529 4.404 -4.015 186 HA ALA 23 HA ALA 23 -7.491 3.988 -1.978 187 HB1 ALA 23 HB1 ALA 23 -6.514 6.189 -2.376 188 HB2 ALA 23 HB2 ALA 23 -8.266 6.231 -2.574 189 HB3 ALA 23 HB3 ALA 23 -7.219 6.215 -3.994 190 H LYS 24 HN LYS 24 -7.310 3.429 -5.336 191 HA LYS 24 HA LYS 24 -10.199 3.354 -5.690 192 HB2 LYS 24 HB2 LYS 24 -7.889 3.040 -7.603 193 HB3 LYS 24 HB1 LYS 24 -9.561 2.774 -8.075 194 HG2 LYS 24 HG2 LYS 24 -8.528 5.356 -6.920 195 HG3 LYS 24 HG1 LYS 24 -8.667 5.028 -8.646 196 HD2 LYS 24 HD2 LYS 24 -10.967 4.918 -6.699 197 HD3 LYS 24 HD1 LYS 24 -10.584 6.310 -7.710 198 HE2 LYS 24 HE2 LYS 24 -10.992 5.051 -9.709 199 HE3 LYS 24 HE1 LYS 24 -11.159 3.556 -8.794 200 HZ1 LYS 24 HZ1 LYS 24 -12.974 5.893 -8.556 201 HZ2 LYS 24 HZ2 LYS 24 -13.148 4.403 -7.781 202 HZ3 LYS 24 HZ3 LYS 24 -13.302 4.503 -9.460 203 H GLY 25 HN GLY 25 -7.482 1.150 -6.461 204 HA2 GLY 25 HA2 GLY 25 -8.511 -1.038 -5.049 205 HA3 GLY 25 HA1 GLY 25 -9.130 -1.132 -6.690 206 H PHE 26 HN PHE 26 -5.967 0.094 -5.739 207 HA PHE 26 HA PHE 26 -4.709 -1.903 -7.434 208 HB2 PHE 26 HB2 PHE 26 -3.969 0.409 -7.670 209 HB3 PHE 26 HB1 PHE 26 -3.575 0.483 -5.960 210 HD1 PHE 26 HD1 PHE 26 -2.670 -1.302 -9.091 211 HD2 PHE 26 HD2 PHE 26 -1.430 0.011 -5.238 212 HE1 PHE 26 HE1 PHE 26 -0.368 -2.000 -9.598 213 HE2 PHE 26 HE2 PHE 26 0.874 -0.691 -5.737 214 HZ PHE 26 HZ PHE 26 1.408 -1.696 -7.918 215 H ALA 27 HN ALA 27 -5.445 -1.396 -4.216 216 HA ALA 27 HA ALA 27 -3.505 -3.427 -3.345 217 HB1 ALA 27 HB1 ALA 27 -4.656 -1.155 -1.727 218 HB2 ALA 27 HB2 ALA 27 -3.015 -1.241 -2.365 219 HB3 ALA 27 HB3 ALA 27 -3.543 -2.384 -1.130 220 H TRP 28 HN TRP 28 -4.377 -4.438 -1.176 221 HA TRP 28 HA TRP 28 -6.853 -5.693 -1.974 222 HB2 TRP 28 HB2 TRP 28 -4.831 -6.300 0.169 223 HB3 TRP 28 HB1 TRP 28 -6.341 -7.178 0.001 224 HD1 TRP 28 HD1 TRP 28 -3.092 -6.496 -1.966 225 HE1 TRP 28 HE1 TRP 28 -2.704 -8.461 -3.589 226 HE3 TRP 28 HE3 TRP 28 -7.421 -9.082 -1.143 227 HZ2 TRP 28 HZ2 TRP 28 -4.061 -10.806 -4.397 228 HZ3 TRP 28 HZ3 TRP 28 -7.800 -11.177 -2.375 229 HH2 TRP 28 HH2 TRP 28 -6.155 -12.020 -3.969 230 H ASN 29 HN ASN 29 -7.309 -3.129 -1.234 231 HA ASN 29 HA ASN 29 -8.789 -3.457 1.273 232 HB2 ASN 29 HB2 ASN 29 -9.040 -0.919 1.149 233 HB3 ASN 29 HB1 ASN 29 -7.444 -1.542 1.534 234 HD21 ASN 29 HD21 ASN 29 -9.395 0.061 -0.868 235 HD22 ASN 29 HD22 ASN 29 -8.077 0.583 -1.860 236 H VAL 30 HN VAL 30 -10.914 -3.711 1.162 237 HA VAL 30 HA VAL 30 -12.308 -3.126 -1.329 238 HB VAL 30 HB VAL 30 -13.735 -3.966 1.167 239 HG11 VAL 30 HG11 VAL 30 -15.168 -5.143 -0.427 240 HG12 VAL 30 HG12 VAL 30 -14.124 -4.618 -1.748 241 HG13 VAL 30 HG13 VAL 30 -15.027 -3.428 -0.810 242 HG21 VAL 30 HG21 VAL 30 -12.171 -5.866 -0.574 243 HG22 VAL 30 HG22 VAL 30 -13.330 -6.329 0.673 244 HG23 VAL 30 HG23 VAL 30 -11.850 -5.481 1.119 245 H CYS 31 HN CYS 31 -12.495 -0.962 -1.507 246 HA CYS 31 HA CYS 31 -13.297 0.520 0.891 247 HB2 CYS 31 HB2 CYS 31 -12.188 2.481 -0.270 248 HB3 CYS 31 HB1 CYS 31 -11.122 1.193 0.296 249 HG CYS 31 HG CYS 31 -10.725 2.499 -2.434 250 H VAL 32 HN VAL 32 -15.063 1.702 0.919 251 HA VAL 32 HA VAL 32 -16.193 2.632 -1.630 252 HB VAL 32 HB VAL 32 -18.488 2.194 -0.884 253 HG11 VAL 32 HG11 VAL 32 -18.521 -0.241 -1.163 254 HG12 VAL 32 HG12 VAL 32 -16.779 -0.288 -0.890 255 HG13 VAL 32 HG13 VAL 32 -17.427 0.539 -2.307 256 HG21 VAL 32 HG21 VAL 32 -18.102 2.243 1.521 257 HG22 VAL 32 HG22 VAL 32 -17.237 0.710 1.421 258 HG23 VAL 32 HG23 VAL 32 -18.958 0.778 1.038 259 H TYR 33 HN TYR 33 -17.874 4.427 -1.118 260 HA TYR 33 HA TYR 33 -16.565 6.065 0.938 261 HB2 TYR 33 HB2 TYR 33 -18.125 6.977 -1.482 262 HB3 TYR 33 HB1 TYR 33 -17.272 8.015 -0.345 263 HD1 TYR 33 HD1 TYR 33 -17.048 6.332 -3.424 264 HD2 TYR 33 HD2 TYR 33 -14.704 7.484 -0.067 265 HE1 TYR 33 HE1 TYR 33 -15.014 6.116 -4.776 266 HE2 TYR 33 HE2 TYR 33 -12.663 7.271 -1.415 267 HH TYR 33 HH TYR 33 -11.862 6.186 -3.393 268 H ARG 34 HN ARG 34 -17.794 5.385 2.652 269 HA ARG 34 HA ARG 34 -20.672 5.819 2.584 270 HB2 ARG 34 HB2 ARG 34 -18.903 4.855 4.844 271 HB3 ARG 34 HB1 ARG 34 -20.662 4.866 4.843 272 HG2 ARG 34 HG2 ARG 34 -20.694 3.262 3.021 273 HG3 ARG 34 HG1 ARG 34 -18.934 3.281 2.957 274 HD2 ARG 34 HD2 ARG 34 -19.644 1.328 4.146 275 HD3 ARG 34 HD1 ARG 34 -18.889 2.439 5.285 276 HE ARG 34 HE ARG 34 -21.445 3.085 5.586 277 HH11 ARG 34 HH11 ARG 34 -19.927 -0.058 5.378 278 HH12 ARG 34 HH12 ARG 34 -21.099 -0.831 6.398 279 HH21 ARG 34 HH21 ARG 34 -22.990 2.070 6.934 280 HH22 ARG 34 HH22 ARG 34 -22.841 0.378 7.287 281 H ASN 35 HN ASN 35 -21.355 7.823 2.843 282 HA ASN 35 HA ASN 35 -21.577 9.963 3.561 283 HB2 ASN 35 HB2 ASN 35 -21.517 8.905 5.828 284 HB3 ASN 35 HB1 ASN 35 -19.778 9.154 5.862 285 HD21 ASN 35 HD21 ASN 35 -18.973 11.142 6.330 286 HD22 ASN 35 HD22 ASN 35 -19.955 12.476 6.830 287 H GLY 36 HN GLY 36 -19.519 9.141 1.727 288 HA2 GLY 36 HA2 GLY 36 -17.894 10.241 0.510 289 HA3 GLY 36 HA1 GLY 36 -18.010 11.573 1.649 290 H VAL 37 HN VAL 37 -17.520 8.822 3.407 291 HA VAL 37 HA VAL 37 -14.647 9.358 3.627 292 HB VAL 37 HB VAL 37 -16.361 7.612 5.395 293 HG11 VAL 37 HG11 VAL 37 -14.566 7.914 7.027 294 HG12 VAL 37 HG12 VAL 37 -13.656 8.855 5.846 295 HG13 VAL 37 HG13 VAL 37 -13.986 7.148 5.549 296 HG21 VAL 37 HG21 VAL 37 -15.622 10.510 5.781 297 HG22 VAL 37 HG22 VAL 37 -16.455 9.493 6.958 298 HG23 VAL 37 HG23 VAL 37 -17.234 9.887 5.425 299 H ARG 38 HN ARG 38 -13.139 7.904 3.097 300 HA ARG 38 HA ARG 38 -13.971 5.712 1.421 301 HB2 ARG 38 HB2 ARG 38 -12.116 7.184 0.763 302 HB3 ARG 38 HB1 ARG 38 -11.211 6.674 2.179 303 HG2 ARG 38 HG2 ARG 38 -11.120 4.398 1.318 304 HG3 ARG 38 HG1 ARG 38 -12.072 4.882 -0.086 305 HD2 ARG 38 HD2 ARG 38 -9.765 4.811 -0.724 306 HD3 ARG 38 HD1 ARG 38 -10.278 6.496 -0.670 307 HE ARG 38 HE ARG 38 -8.914 5.357 1.658 308 HH11 ARG 38 HH11 ARG 38 -8.912 7.575 -1.056 309 HH12 ARG 38 HH12 ARG 38 -7.482 8.407 -0.533 310 HH21 ARG 38 HH21 ARG 38 -7.024 6.447 2.334 311 HH22 ARG 38 HH22 ARG 38 -6.410 7.764 1.387 312 H VAL 39 HN VAL 39 -14.890 4.234 2.822 313 HA VAL 39 HA VAL 39 -13.349 3.208 5.041 314 HB VAL 39 HB VAL 39 -15.266 2.160 5.748 315 HG11 VAL 39 HG11 VAL 39 -17.118 3.691 5.508 316 HG12 VAL 39 HG12 VAL 39 -16.355 4.399 4.083 317 HG13 VAL 39 HG13 VAL 39 -15.598 4.574 5.667 318 HG21 VAL 39 HG21 VAL 39 -16.349 2.158 2.942 319 HG22 VAL 39 HG22 VAL 39 -17.156 1.489 4.361 320 HG23 VAL 39 HG23 VAL 39 -15.652 0.774 3.782 321 H CYS 40 HN CYS 40 -12.458 1.227 5.156 322 HA CYS 40 HA CYS 40 -12.607 -0.448 2.754 323 HB2 CYS 40 HB2 CYS 40 -10.086 0.004 4.363 324 HB3 CYS 40 HB1 CYS 40 -10.242 -0.884 2.850 325 HG CYS 40 HG CYS 40 -10.434 2.493 3.294 326 H HIS 41 HN HIS 41 -12.707 -2.647 3.146 327 HA HIS 41 HA HIS 41 -12.618 -3.493 5.943 328 HB2 HIS 41 HB2 HIS 41 -14.690 -4.801 5.666 329 HB3 HIS 41 HB1 HIS 41 -14.949 -3.067 5.602 330 HD1 HIS 41 HD1 HIS 41 -15.354 -6.194 3.686 331 HD2 HIS 41 HD2 HIS 41 -15.709 -2.105 3.020 332 HE1 HIS 41 HE1 HIS 41 -16.675 -5.964 1.562 333 HE2 HIS 41 HE2 HIS 41 -17.062 -3.490 1.311 334 H ARG 42 HN ARG 42 -12.912 -5.925 6.123 335 HA ARG 42 HA ARG 42 -10.786 -7.169 4.796 336 HB2 ARG 42 HB2 ARG 42 -13.128 -8.382 6.269 337 HB3 ARG 42 HB1 ARG 42 -11.705 -9.278 5.763 338 HG2 ARG 42 HG2 ARG 42 -10.319 -7.785 7.171 339 HG3 ARG 42 HG1 ARG 42 -11.800 -7.014 7.742 340 HD2 ARG 42 HD2 ARG 42 -11.034 -8.705 9.323 341 HD3 ARG 42 HD1 ARG 42 -12.586 -9.153 8.616 342 HE ARG 42 HE ARG 42 -10.235 -10.251 7.317 343 HH11 ARG 42 HH11 ARG 42 -12.778 -10.753 9.677 344 HH12 ARG 42 HH12 ARG 42 -12.656 -12.484 9.620 345 HH21 ARG 42 HH21 ARG 42 -10.101 -12.517 7.226 346 HH22 ARG 42 HH22 ARG 42 -11.139 -13.485 8.223 347 H ARG 43 HN ARG 43 -10.849 -9.034 3.407 348 HA ARG 43 HA ARG 43 -12.697 -8.524 1.213 349 HB2 ARG 43 HB2 ARG 43 -10.095 -10.033 1.363 350 HB3 ARG 43 HB1 ARG 43 -11.091 -9.950 -0.081 351 HG2 ARG 43 HG2 ARG 43 -9.875 -8.179 -0.622 352 HG3 ARG 43 HG1 ARG 43 -10.803 -7.318 0.600 353 HD2 ARG 43 HD2 ARG 43 -8.338 -8.838 1.344 354 HD3 ARG 43 HD1 ARG 43 -8.217 -7.220 0.667 355 HE ARG 43 HE ARG 43 -9.889 -6.749 2.646 356 HH11 ARG 43 HH11 ARG 43 -7.022 -8.753 2.643 357 HH12 ARG 43 HH12 ARG 43 -6.637 -8.435 4.300 358 HH21 ARG 43 HH21 ARG 43 -9.349 -6.284 4.831 359 HH22 ARG 43 HH22 ARG 43 -7.959 -7.034 5.546 360 H ALA 44 HN ALA 44 -13.711 -10.195 0.104 361 HA ALA 44 HA ALA 44 -14.116 -12.667 1.610 362 HB1 ALA 44 HB1 ALA 44 -16.001 -13.084 0.125 363 HB2 ALA 44 HB2 ALA 44 -15.587 -11.653 -0.815 364 HB3 ALA 44 HB3 ALA 44 -16.137 -11.482 0.851 365 H ASN 45 HN ASN 45 -12.870 -11.318 -1.235 366 HA ASN 45 HA ASN 45 -10.830 -13.090 -1.659 367 HB2 ASN 45 HB2 ASN 45 -12.629 -14.749 -2.235 368 HB3 ASN 45 HB1 ASN 45 -13.090 -13.708 -3.579 369 HD21 ASN 45 HD21 ASN 45 -9.799 -14.216 -2.508 370 HD22 ASN 45 HD22 ASN 45 -9.268 -15.066 -3.915 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 19.567 -10.371 -2.553 2 H2 ARG 1 HT2 ARG 1 19.346 -9.440 -3.942 3 H3 ARG 1 HT3 ARG 1 18.397 -9.151 -2.576 4 HA ARG 1 HA ARG 1 20.329 -8.440 -1.336 5 HB2 ARG 1 HB2 ARG 1 21.736 -8.966 -3.959 6 HB3 ARG 1 HB1 ARG 1 22.446 -8.060 -2.633 7 HG2 ARG 1 HG2 ARG 1 22.397 -10.002 -1.216 8 HG3 ARG 1 HG1 ARG 1 21.536 -10.923 -2.452 9 HD2 ARG 1 HD2 ARG 1 24.292 -9.745 -2.782 10 HD3 ARG 1 HD1 ARG 1 23.961 -11.425 -2.368 11 HE ARG 1 HE ARG 1 22.652 -11.385 -4.584 12 HH11 ARG 1 HH11 ARG 1 25.609 -9.610 -3.966 13 HH12 ARG 1 HH12 ARG 1 26.110 -9.624 -5.625 14 HH21 ARG 1 HH21 ARG 1 23.311 -11.399 -6.764 15 HH22 ARG 1 HH22 ARG 1 24.804 -10.640 -7.218 16 H VAL 2 HN VAL 2 18.173 -7.158 -2.188 17 HA VAL 2 HA VAL 2 19.105 -4.944 -3.890 18 HB VAL 2 HB VAL 2 16.739 -4.437 -4.310 19 HG11 VAL 2 HG11 VAL 2 17.936 -5.894 -5.848 20 HG12 VAL 2 HG12 VAL 2 16.242 -6.369 -5.729 21 HG13 VAL 2 HG13 VAL 2 17.480 -7.302 -4.888 22 HG21 VAL 2 HG21 VAL 2 15.776 -5.272 -2.239 23 HG22 VAL 2 HG22 VAL 2 16.185 -6.925 -2.697 24 HG23 VAL 2 HG23 VAL 2 14.993 -6.021 -3.631 25 H GLN 3 HN GLN 3 18.248 -2.805 -3.377 26 HA GLN 3 HA GLN 3 18.593 -2.232 -0.576 27 HB2 GLN 3 HB2 GLN 3 18.184 -0.525 -3.021 28 HB3 GLN 3 HB1 GLN 3 18.167 0.168 -1.410 29 HG2 GLN 3 HG2 GLN 3 20.340 0.458 -2.390 30 HG3 GLN 3 HG1 GLN 3 20.450 -0.669 -1.045 31 HE21 GLN 3 HE21 GLN 3 21.028 -2.782 -1.427 32 HE22 GLN 3 HE22 GLN 3 21.600 -3.338 -2.964 33 H GLY 4 HN GLY 4 17.016 -2.148 0.869 34 HA2 GLY 4 HA2 GLY 4 14.333 -2.706 0.030 35 HA3 GLY 4 HA1 GLY 4 14.904 -2.570 1.682 36 H ARG 5 HN ARG 5 15.899 0.210 0.248 37 HA ARG 5 HA ARG 5 13.806 1.739 1.428 38 HB2 ARG 5 HB2 ARG 5 14.969 3.699 0.494 39 HB3 ARG 5 HB1 ARG 5 16.053 2.639 1.377 40 HG2 ARG 5 HG2 ARG 5 16.949 1.767 -0.679 41 HG3 ARG 5 HG1 ARG 5 15.773 2.686 -1.619 42 HD2 ARG 5 HD2 ARG 5 18.030 3.722 -1.543 43 HD3 ARG 5 HD1 ARG 5 16.746 4.759 -0.930 44 HE ARG 5 HE ARG 5 17.499 4.204 1.320 45 HH11 ARG 5 HH11 ARG 5 19.707 3.514 -1.316 46 HH12 ARG 5 HH12 ARG 5 21.114 3.560 -0.304 47 HH21 ARG 5 HH21 ARG 5 19.336 4.247 2.640 48 HH22 ARG 5 HH22 ARG 5 20.904 3.983 1.947 49 H TRP 6 HN TRP 6 14.710 0.975 -1.909 50 HA TRP 6 HA TRP 6 12.227 2.270 -2.799 51 HB2 TRP 6 HB2 TRP 6 14.256 3.323 -3.673 52 HB3 TRP 6 HB1 TRP 6 14.784 1.778 -4.335 53 HD1 TRP 6 HD1 TRP 6 13.854 1.086 -6.677 54 HE1 TRP 6 HE1 TRP 6 12.330 2.230 -8.405 55 HE3 TRP 6 HE3 TRP 6 12.132 4.953 -3.810 56 HZ2 TRP 6 HZ2 TRP 6 10.625 4.467 -8.536 57 HZ3 TRP 6 HZ3 TRP 6 10.555 6.550 -4.816 58 HH2 TRP 6 HH2 TRP 6 9.818 6.311 -7.130 59 H LYS 7 HN LYS 7 14.212 -0.643 -3.116 60 HA LYS 7 HA LYS 7 12.703 -1.571 -5.372 61 HB2 LYS 7 HB2 LYS 7 15.201 -1.952 -4.876 62 HB3 LYS 7 HB1 LYS 7 14.652 -3.247 -3.821 63 HG2 LYS 7 HG2 LYS 7 15.232 -4.177 -5.950 64 HG3 LYS 7 HG1 LYS 7 13.480 -4.263 -5.758 65 HD2 LYS 7 HD2 LYS 7 13.259 -2.210 -7.113 66 HD3 LYS 7 HD1 LYS 7 15.006 -2.196 -7.344 67 HE2 LYS 7 HE2 LYS 7 13.116 -4.369 -8.239 68 HE3 LYS 7 HE1 LYS 7 13.851 -3.147 -9.273 69 HZ1 LYS 7 HZ1 LYS 7 15.268 -5.279 -7.775 70 HZ2 LYS 7 HZ2 LYS 7 16.034 -4.053 -8.651 71 HZ3 LYS 7 HZ3 LYS 7 15.066 -5.184 -9.451 72 H VAL 8 HN VAL 8 11.921 -1.565 -2.183 73 HA VAL 8 HA VAL 8 10.941 -4.175 -1.777 74 HB VAL 8 HB VAL 8 9.308 -3.029 -0.165 75 HG11 VAL 8 HG11 VAL 8 12.277 -2.665 0.189 76 HG12 VAL 8 HG12 VAL 8 11.357 -4.127 0.543 77 HG13 VAL 8 HG13 VAL 8 11.080 -2.661 1.483 78 HG21 VAL 8 HG21 VAL 8 11.059 -0.664 -0.830 79 HG22 VAL 8 HG22 VAL 8 9.873 -0.742 0.475 80 HG23 VAL 8 HG23 VAL 8 9.342 -0.817 -1.204 81 H ARG 9 HN ARG 9 9.791 -1.574 -3.711 82 HA ARG 9 HA ARG 9 7.094 -2.257 -3.982 83 HB2 ARG 9 HB2 ARG 9 8.226 -0.190 -4.863 84 HB3 ARG 9 HB1 ARG 9 8.906 -1.180 -6.148 85 HG2 ARG 9 HG2 ARG 9 6.581 -1.781 -6.811 86 HG3 ARG 9 HG1 ARG 9 6.010 -0.607 -5.627 87 HD2 ARG 9 HD2 ARG 9 7.825 0.009 -7.954 88 HD3 ARG 9 HD1 ARG 9 6.088 0.305 -7.920 89 HE ARG 9 HE ARG 9 7.054 1.627 -5.731 90 HH11 ARG 9 HH11 ARG 9 7.741 1.687 -9.161 91 HH12 ARG 9 HH12 ARG 9 8.172 3.366 -9.184 92 HH21 ARG 9 HH21 ARG 9 7.618 3.844 -5.750 93 HH22 ARG 9 HH22 ARG 9 8.073 4.597 -7.245 94 H ALA 10 HN ALA 10 10.007 -3.569 -5.427 95 HA ALA 10 HA ALA 10 8.517 -5.322 -7.202 96 HB1 ALA 10 HB1 ALA 10 11.486 -5.099 -6.721 97 HB2 ALA 10 HB2 ALA 10 10.586 -4.289 -8.002 98 HB3 ALA 10 HB3 ALA 10 10.712 -6.048 -7.988 99 H SER 11 HN SER 11 9.973 -5.372 -4.082 100 HA SER 11 HA SER 11 10.450 -8.132 -3.818 101 HB2 SER 11 HB2 SER 11 9.753 -6.114 -1.673 102 HB3 SER 11 HB1 SER 11 10.489 -7.695 -1.404 103 HG SER 11 HG SER 11 12.278 -6.602 -1.604 104 H PHE 12 HN PHE 12 7.556 -6.263 -3.758 105 HA PHE 12 HA PHE 12 5.864 -7.952 -2.296 106 HB2 PHE 12 HB2 PHE 12 5.334 -6.012 -4.529 107 HB3 PHE 12 HB1 PHE 12 4.042 -6.949 -3.793 108 HD1 PHE 12 HD1 PHE 12 5.934 -3.970 -3.641 109 HD2 PHE 12 HD2 PHE 12 3.799 -6.747 -1.229 110 HE1 PHE 12 HE1 PHE 12 5.694 -2.258 -1.891 111 HE2 PHE 12 HE2 PHE 12 3.556 -5.042 0.528 112 HZ PHE 12 HZ PHE 12 4.503 -2.794 0.199 113 H PHE 13 HN PHE 13 7.340 -8.456 -5.336 114 HA PHE 13 HA PHE 13 5.289 -10.200 -6.358 115 HB2 PHE 13 HB2 PHE 13 8.059 -9.512 -7.310 116 HB3 PHE 13 HB1 PHE 13 7.075 -10.739 -8.098 117 HD1 PHE 13 HD1 PHE 13 5.095 -10.133 -9.345 118 HD2 PHE 13 HD2 PHE 13 7.503 -7.171 -7.468 119 HE1 PHE 13 HE1 PHE 13 3.979 -8.389 -10.673 120 HE2 PHE 13 HE2 PHE 13 6.395 -5.422 -8.794 121 HZ PHE 13 HZ PHE 13 4.629 -6.029 -10.400 122 H LYS 14 HN LYS 14 8.627 -10.712 -5.174 123 HA LYS 14 HA LYS 14 8.304 -13.553 -5.214 124 HB2 LYS 14 HB2 LYS 14 10.465 -13.659 -4.068 125 HB3 LYS 14 HB1 LYS 14 10.528 -12.592 -5.461 126 HG2 LYS 14 HG2 LYS 14 10.541 -10.657 -4.080 127 HG3 LYS 14 HG1 LYS 14 10.155 -11.606 -2.646 128 HD2 LYS 14 HD2 LYS 14 12.507 -11.024 -2.643 129 HD3 LYS 14 HD1 LYS 14 12.318 -12.764 -2.849 130 HE2 LYS 14 HE2 LYS 14 14.027 -11.993 -4.343 131 HE3 LYS 14 HE1 LYS 14 12.618 -12.449 -5.295 132 HZ1 LYS 14 HZ1 LYS 14 13.589 -10.365 -6.049 133 HZ2 LYS 14 HZ2 LYS 14 13.341 -9.677 -4.525 134 HZ3 LYS 14 HZ3 LYS 14 12.019 -10.127 -5.471 135 H GLU 15 HN GLU 15 7.862 -11.043 -2.832 136 HA GLU 15 HA GLU 15 7.403 -12.979 -0.713 137 HB2 GLU 15 HB2 GLU 15 7.275 -9.963 -0.715 138 HB3 GLU 15 HB1 GLU 15 7.041 -10.979 0.699 139 HG2 GLU 15 HG2 GLU 15 9.322 -11.851 0.423 140 HG3 GLU 15 HG1 GLU 15 9.546 -10.772 -0.950 141 H ALA 16 HN ALA 16 5.637 -12.212 -3.217 142 HA ALA 16 HA ALA 16 3.142 -11.413 -2.125 143 HB1 ALA 16 HB1 ALA 16 3.654 -11.125 -4.495 144 HB2 ALA 16 HB2 ALA 16 2.184 -12.074 -4.269 145 HB3 ALA 16 HB3 ALA 16 3.692 -12.877 -4.702 146 H ALA 17 HN ALA 17 4.804 -14.413 -2.270 147 HA ALA 17 HA ALA 17 2.573 -16.139 -1.960 148 HB1 ALA 17 HB1 ALA 17 4.216 -17.812 -1.264 149 HB2 ALA 17 HB2 ALA 17 5.446 -16.555 -1.142 150 HB3 ALA 17 HB3 ALA 17 4.746 -16.953 -2.710 151 H ALA 18 HN ALA 18 3.974 -13.874 0.097 152 HA ALA 18 HA ALA 18 3.038 -15.189 2.532 153 HB1 ALA 18 HB1 ALA 18 4.150 -13.380 3.725 154 HB2 ALA 18 HB2 ALA 18 4.530 -12.592 2.194 155 HB3 ALA 18 HB3 ALA 18 5.253 -14.152 2.586 156 H LYS 19 HN LYS 19 1.569 -13.655 0.189 157 HA LYS 19 HA LYS 19 0.115 -11.663 1.686 158 HB2 LYS 19 HB2 LYS 19 -0.074 -12.636 -1.150 159 HB3 LYS 19 HB1 LYS 19 -1.268 -11.541 -0.467 160 HG2 LYS 19 HG2 LYS 19 1.689 -11.020 -0.723 161 HG3 LYS 19 HG1 LYS 19 0.406 -10.303 -1.699 162 HD2 LYS 19 HD2 LYS 19 -0.544 -9.351 0.420 163 HD3 LYS 19 HD1 LYS 19 0.909 -9.910 1.247 164 HE2 LYS 19 HE2 LYS 19 2.279 -8.536 -0.254 165 HE3 LYS 19 HE1 LYS 19 0.817 -7.963 -1.054 166 HZ1 LYS 19 HZ1 LYS 19 1.648 -7.465 1.749 167 HZ2 LYS 19 HZ2 LYS 19 0.104 -7.098 1.165 168 HZ3 LYS 19 HZ3 LYS 19 1.460 -6.326 0.514 169 H GLU 20 HN GLU 20 0.022 -14.739 2.104 170 HA GLU 20 HA GLU 20 -2.603 -15.612 1.837 171 HB2 GLU 20 HB2 GLU 20 -2.080 -17.036 3.859 172 HB3 GLU 20 HB1 GLU 20 -0.949 -17.172 2.520 173 HG2 GLU 20 HG2 GLU 20 0.609 -15.699 3.660 174 HG3 GLU 20 HG1 GLU 20 -0.530 -15.503 4.990 175 H ALA 21 HN ALA 21 -1.317 -13.164 3.869 176 HA ALA 21 HA ALA 21 -3.609 -13.166 5.656 177 HB1 ALA 21 HB1 ALA 21 -1.385 -12.718 6.572 178 HB2 ALA 21 HB2 ALA 21 -2.468 -11.347 6.807 179 HB3 ALA 21 HB3 ALA 21 -1.246 -11.297 5.537 180 H ALA 22 HN ALA 22 -3.232 -12.184 2.581 181 HA ALA 22 HA ALA 22 -3.897 -9.461 2.528 182 HB1 ALA 22 HB1 ALA 22 -4.531 -11.573 0.479 183 HB2 ALA 22 HB2 ALA 22 -3.050 -10.621 0.571 184 HB3 ALA 22 HB3 ALA 22 -4.587 -9.832 0.213 185 H ALA 23 HN ALA 23 -5.915 -12.292 2.886 186 HA ALA 23 HA ALA 23 -8.399 -11.055 2.365 187 HB1 ALA 23 HB1 ALA 23 -7.825 -13.454 4.094 188 HB2 ALA 23 HB2 ALA 23 -8.077 -13.482 2.349 189 HB3 ALA 23 HB3 ALA 23 -9.391 -13.001 3.421 190 H LYS 24 HN LYS 24 -6.248 -10.679 4.935 191 HA LYS 24 HA LYS 24 -8.320 -9.774 6.793 192 HB2 LYS 24 HB2 LYS 24 -5.317 -9.919 7.142 193 HB3 LYS 24 HB1 LYS 24 -6.482 -9.525 8.397 194 HG2 LYS 24 HG2 LYS 24 -7.418 -11.752 8.277 195 HG3 LYS 24 HG1 LYS 24 -6.331 -12.157 6.945 196 HD2 LYS 24 HD2 LYS 24 -4.407 -11.803 8.422 197 HD3 LYS 24 HD1 LYS 24 -5.501 -11.417 9.751 198 HE2 LYS 24 HE2 LYS 24 -5.388 -14.049 8.280 199 HE3 LYS 24 HE1 LYS 24 -4.675 -13.732 9.857 200 HZ1 LYS 24 HZ1 LYS 24 -6.771 -14.813 10.148 201 HZ2 LYS 24 HZ2 LYS 24 -7.563 -13.680 9.177 202 HZ3 LYS 24 HZ3 LYS 24 -6.931 -13.215 10.674 203 H GLY 25 HN GLY 25 -7.045 -8.544 4.174 204 HA2 GLY 25 HA2 GLY 25 -7.199 -6.320 3.465 205 HA3 GLY 25 HA1 GLY 25 -7.175 -5.795 5.142 206 H PHE 26 HN PHE 26 -4.879 -8.054 3.840 207 HA PHE 26 HA PHE 26 -2.745 -6.144 4.430 208 HB2 PHE 26 HB2 PHE 26 -2.699 -8.345 5.564 209 HB3 PHE 26 HB1 PHE 26 -2.612 -9.137 4.000 210 HD1 PHE 26 HD1 PHE 26 -0.797 -6.503 5.917 211 HD2 PHE 26 HD2 PHE 26 -0.561 -9.848 3.301 212 HE1 PHE 26 HE1 PHE 26 1.660 -6.410 6.027 213 HE2 PHE 26 HE2 PHE 26 1.897 -9.763 3.405 214 HZ PHE 26 HZ PHE 26 3.011 -8.039 4.771 215 H ALA 27 HN ALA 27 -4.525 -6.786 1.941 216 HA ALA 27 HA ALA 27 -2.851 -5.619 0.066 217 HB1 ALA 27 HB1 ALA 27 -2.468 -7.402 -1.539 218 HB2 ALA 27 HB2 ALA 27 -3.224 -8.553 -0.440 219 HB3 ALA 27 HB3 ALA 27 -1.705 -7.777 0.005 220 H TRP 28 HN TRP 28 -5.633 -7.325 0.846 221 HA TRP 28 HA TRP 28 -7.048 -6.172 -1.444 222 HB2 TRP 28 HB2 TRP 28 -7.753 -8.572 0.233 223 HB3 TRP 28 HB1 TRP 28 -8.768 -7.898 -1.021 224 HD1 TRP 28 HD1 TRP 28 -6.473 -7.492 -3.241 225 HE1 TRP 28 HE1 TRP 28 -5.532 -9.574 -4.427 226 HE3 TRP 28 HE3 TRP 28 -7.807 -11.051 0.181 227 HZ2 TRP 28 HZ2 TRP 28 -5.381 -12.354 -3.974 228 HZ3 TRP 28 HZ3 TRP 28 -7.232 -13.400 -0.275 229 HH2 TRP 28 HH2 TRP 28 -6.045 -14.036 -2.311 230 H ASN 29 HN ASN 29 -7.508 -4.201 -0.513 231 HA ASN 29 HA ASN 29 -9.315 -4.282 1.810 232 HB2 ASN 29 HB2 ASN 29 -7.769 -1.902 0.742 233 HB3 ASN 29 HB1 ASN 29 -8.826 -1.902 2.142 234 HD21 ASN 29 HD21 ASN 29 -5.773 -2.971 0.868 235 HD22 ASN 29 HD22 ASN 29 -5.050 -3.353 2.392 236 H VAL 30 HN VAL 30 -11.390 -3.995 1.383 237 HA VAL 30 HA VAL 30 -12.196 -3.019 -1.233 238 HB VAL 30 HB VAL 30 -14.048 -3.793 1.014 239 HG11 VAL 30 HG11 VAL 30 -15.054 -2.664 -0.888 240 HG12 VAL 30 HG12 VAL 30 -15.578 -4.346 -0.811 241 HG13 VAL 30 HG13 VAL 30 -14.357 -3.857 -1.983 242 HG21 VAL 30 HG21 VAL 30 -12.530 -5.647 0.773 243 HG22 VAL 30 HG22 VAL 30 -12.746 -5.642 -0.979 244 HG23 VAL 30 HG23 VAL 30 -14.093 -6.073 0.076 245 H CYS 31 HN CYS 31 -11.914 -0.873 -1.290 246 HA CYS 31 HA CYS 31 -12.902 0.713 0.962 247 HB2 CYS 31 HB2 CYS 31 -11.540 2.557 -0.148 248 HB3 CYS 31 HB1 CYS 31 -10.646 1.229 0.582 249 HG CYS 31 HG CYS 31 -11.276 0.578 -2.596 250 H VAL 32 HN VAL 32 -14.659 1.814 0.809 251 HA VAL 32 HA VAL 32 -15.599 2.747 -1.820 252 HB VAL 32 HB VAL 32 -17.946 2.296 -1.069 253 HG11 VAL 32 HG11 VAL 32 -16.148 -0.111 -1.316 254 HG12 VAL 32 HG12 VAL 32 -16.847 0.812 -2.647 255 HG13 VAL 32 HG13 VAL 32 -17.894 -0.106 -1.567 256 HG21 VAL 32 HG21 VAL 32 -17.569 2.137 1.326 257 HG22 VAL 32 HG22 VAL 32 -16.573 0.700 1.095 258 HG23 VAL 32 HG23 VAL 32 -18.296 0.646 0.728 259 H TYR 33 HN TYR 33 -17.656 4.299 -1.182 260 HA TYR 33 HA TYR 33 -16.494 6.123 0.810 261 HB2 TYR 33 HB2 TYR 33 -18.145 6.821 -1.626 262 HB3 TYR 33 HB1 TYR 33 -17.457 7.965 -0.480 263 HD1 TYR 33 HD1 TYR 33 -14.864 7.867 -0.190 264 HD2 TYR 33 HD2 TYR 33 -16.946 6.257 -3.529 265 HE1 TYR 33 HE1 TYR 33 -12.793 7.939 -1.507 266 HE2 TYR 33 HE2 TYR 33 -14.885 6.326 -4.859 267 HH TYR 33 HH TYR 33 -12.764 7.453 -4.909 268 H ARG 34 HN ARG 34 -17.614 5.512 2.590 269 HA ARG 34 HA ARG 34 -20.534 5.611 2.484 270 HB2 ARG 34 HB2 ARG 34 -18.584 4.600 4.552 271 HB3 ARG 34 HB1 ARG 34 -20.269 4.915 4.960 272 HG2 ARG 34 HG2 ARG 34 -20.944 3.348 3.160 273 HG3 ARG 34 HG1 ARG 34 -19.239 2.971 2.906 274 HD2 ARG 34 HD2 ARG 34 -20.365 1.311 4.333 275 HD3 ARG 34 HD1 ARG 34 -19.052 2.135 5.171 276 HE ARG 34 HE ARG 34 -21.078 3.615 5.971 277 HH11 ARG 34 HH11 ARG 34 -20.947 0.129 5.650 278 HH12 ARG 34 HH12 ARG 34 -22.047 -0.153 6.958 279 HH21 ARG 34 HH21 ARG 34 -22.514 3.243 7.692 280 HH22 ARG 34 HH22 ARG 34 -22.954 1.617 8.112 281 H ASN 35 HN ASN 35 -21.645 7.273 3.217 282 HA ASN 35 HA ASN 35 -22.104 9.427 3.697 283 HB2 ASN 35 HB2 ASN 35 -21.761 10.124 5.933 284 HB3 ASN 35 HB1 ASN 35 -21.928 8.377 5.989 285 HD21 ASN 35 HD21 ASN 35 -20.218 7.137 6.661 286 HD22 ASN 35 HD22 ASN 35 -18.770 7.806 7.325 287 H GLY 36 HN GLY 36 -19.583 8.902 2.127 288 HA2 GLY 36 HA2 GLY 36 -18.515 10.650 0.897 289 HA3 GLY 36 HA1 GLY 36 -18.602 11.664 2.327 290 H VAL 37 HN VAL 37 -17.656 8.947 3.689 291 HA VAL 37 HA VAL 37 -14.817 9.698 3.477 292 HB VAL 37 HB VAL 37 -16.099 7.890 5.530 293 HG11 VAL 37 HG11 VAL 37 -13.462 9.352 5.526 294 HG12 VAL 37 HG12 VAL 37 -13.690 7.617 5.302 295 HG13 VAL 37 HG13 VAL 37 -14.092 8.368 6.847 296 HG21 VAL 37 HG21 VAL 37 -17.140 10.068 5.690 297 HG22 VAL 37 HG22 VAL 37 -15.561 10.847 5.707 298 HG23 VAL 37 HG23 VAL 37 -16.050 9.822 7.053 299 H ARG 38 HN ARG 38 -13.297 8.322 2.806 300 HA ARG 38 HA ARG 38 -14.137 5.985 1.380 301 HB2 ARG 38 HB2 ARG 38 -12.332 7.449 0.563 302 HB3 ARG 38 HB1 ARG 38 -11.362 7.020 1.963 303 HG2 ARG 38 HG2 ARG 38 -11.203 4.742 1.227 304 HG3 ARG 38 HG1 ARG 38 -12.340 5.044 -0.087 305 HD2 ARG 38 HD2 ARG 38 -10.757 6.617 -1.088 306 HD3 ARG 38 HD1 ARG 38 -9.622 6.307 0.222 307 HE ARG 38 HE ARG 38 -10.512 4.063 -1.435 308 HH11 ARG 38 HH11 ARG 38 -7.978 6.295 -0.517 309 HH12 ARG 38 HH12 ARG 38 -6.708 5.349 -1.224 310 HH21 ARG 38 HH21 ARG 38 -8.841 2.797 -2.356 311 HH22 ARG 38 HH22 ARG 38 -7.199 3.348 -2.254 312 H VAL 39 HN VAL 39 -14.602 4.202 2.368 313 HA VAL 39 HA VAL 39 -13.232 3.510 4.872 314 HB VAL 39 HB VAL 39 -15.631 4.061 5.083 315 HG11 VAL 39 HG11 VAL 39 -16.031 1.653 3.350 316 HG12 VAL 39 HG12 VAL 39 -16.394 3.325 2.930 317 HG13 VAL 39 HG13 VAL 39 -17.304 2.518 4.206 318 HG21 VAL 39 HG21 VAL 39 -16.297 2.081 6.362 319 HG22 VAL 39 HG22 VAL 39 -14.637 2.567 6.708 320 HG23 VAL 39 HG23 VAL 39 -14.951 1.186 5.657 321 H CYS 40 HN CYS 40 -12.304 1.531 5.059 322 HA CYS 40 HA CYS 40 -12.569 -0.243 2.734 323 HB2 CYS 40 HB2 CYS 40 -10.157 -0.845 3.145 324 HB3 CYS 40 HB1 CYS 40 -10.430 0.783 2.548 325 HG CYS 40 HG CYS 40 -9.185 -0.237 5.497 326 H HIS 41 HN HIS 41 -12.614 -2.408 3.080 327 HA HIS 41 HA HIS 41 -12.254 -3.401 5.800 328 HB2 HIS 41 HB2 HIS 41 -14.242 -4.884 5.549 329 HB3 HIS 41 HB1 HIS 41 -14.641 -3.183 5.692 330 HD1 HIS 41 HD1 HIS 41 -15.144 -6.129 3.595 331 HD2 HIS 41 HD2 HIS 41 -15.487 -2.008 3.156 332 HE1 HIS 41 HE1 HIS 41 -16.588 -5.781 1.569 333 HE2 HIS 41 HE2 HIS 41 -16.984 -3.295 1.488 334 H ARG 42 HN ARG 42 -12.163 -5.809 5.819 335 HA ARG 42 HA ARG 42 -10.211 -6.710 4.005 336 HB2 ARG 42 HB2 ARG 42 -10.436 -8.862 5.078 337 HB3 ARG 42 HB1 ARG 42 -10.527 -7.603 6.301 338 HG2 ARG 42 HG2 ARG 42 -12.972 -7.818 6.321 339 HG3 ARG 42 HG1 ARG 42 -12.852 -9.111 5.127 340 HD2 ARG 42 HD2 ARG 42 -11.430 -10.371 6.732 341 HD3 ARG 42 HD1 ARG 42 -11.742 -9.112 7.925 342 HE ARG 42 HE ARG 42 -14.097 -10.339 6.771 343 HH11 ARG 42 HH11 ARG 42 -11.785 -10.332 9.397 344 HH12 ARG 42 HH12 ARG 42 -12.803 -11.234 10.470 345 HH21 ARG 42 HH21 ARG 42 -15.452 -11.522 8.191 346 HH22 ARG 42 HH22 ARG 42 -14.887 -11.917 9.782 347 H ARG 43 HN ARG 43 -10.327 -8.164 2.290 348 HA ARG 43 HA ARG 43 -12.948 -8.242 0.992 349 HB2 ARG 43 HB2 ARG 43 -11.052 -7.224 -0.249 350 HB3 ARG 43 HB1 ARG 43 -10.219 -8.770 -0.179 351 HG2 ARG 43 HG2 ARG 43 -12.001 -9.802 -1.483 352 HG3 ARG 43 HG1 ARG 43 -12.841 -8.254 -1.553 353 HD2 ARG 43 HD2 ARG 43 -11.040 -7.273 -2.805 354 HD3 ARG 43 HD1 ARG 43 -10.064 -8.730 -2.619 355 HE ARG 43 HE ARG 43 -12.567 -9.267 -3.886 356 HH11 ARG 43 HH11 ARG 43 -9.379 -7.949 -4.472 357 HH12 ARG 43 HH12 ARG 43 -9.349 -8.425 -6.141 358 HH21 ARG 43 HH21 ARG 43 -12.538 -9.881 -6.097 359 HH22 ARG 43 HH22 ARG 43 -11.143 -9.522 -7.063 360 H ALA 44 HN ALA 44 -13.876 -10.094 0.317 361 HA ALA 44 HA ALA 44 -12.503 -12.628 0.934 362 HB1 ALA 44 HB1 ALA 44 -15.464 -12.065 1.111 363 HB2 ALA 44 HB2 ALA 44 -14.368 -12.251 2.479 364 HB3 ALA 44 HB3 ALA 44 -14.688 -13.618 1.412 365 H ASN 45 HN ASN 45 -11.835 -13.358 -0.986 366 HA ASN 45 HA ASN 45 -13.780 -13.470 -3.173 367 HB2 ASN 45 HB2 ASN 45 -12.109 -12.791 -4.811 368 HB3 ASN 45 HB1 ASN 45 -12.307 -11.533 -3.600 369 HD21 ASN 45 HD21 ASN 45 -10.662 -11.249 -2.036 370 HD22 ASN 45 HD22 ASN 45 -9.047 -11.779 -2.345 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 12.322 17.228 18.327 2 H2 ARG 1 HT2 ARG 1 13.023 17.748 19.776 3 H3 ARG 1 HT3 ARG 1 13.749 18.137 18.301 4 HA ARG 1 HA ARG 1 11.151 19.108 19.307 5 HB2 ARG 1 HB2 ARG 1 13.786 20.493 18.816 6 HB3 ARG 1 HB1 ARG 1 12.281 21.339 19.146 7 HG2 ARG 1 HG2 ARG 1 12.134 20.229 21.319 8 HG3 ARG 1 HG1 ARG 1 13.652 19.394 20.989 9 HD2 ARG 1 HD2 ARG 1 13.320 22.386 21.109 10 HD3 ARG 1 HD1 ARG 1 13.922 21.388 22.431 11 HE ARG 1 HE ARG 1 15.486 20.855 20.185 12 HH11 ARG 1 HH11 ARG 1 14.787 23.550 22.305 13 HH12 ARG 1 HH12 ARG 1 16.367 24.245 22.149 14 HH21 ARG 1 HH21 ARG 1 17.563 21.788 19.960 15 HH22 ARG 1 HH22 ARG 1 17.938 23.254 20.810 16 H VAL 2 HN VAL 2 13.527 19.923 16.774 17 HA VAL 2 HA VAL 2 11.282 20.627 15.042 18 HB VAL 2 HB VAL 2 14.221 21.101 14.531 19 HG11 VAL 2 HG11 VAL 2 12.833 21.160 12.530 20 HG12 VAL 2 HG12 VAL 2 13.414 22.776 12.933 21 HG13 VAL 2 HG13 VAL 2 11.751 22.320 13.299 22 HG21 VAL 2 HG21 VAL 2 13.558 22.236 16.579 23 HG22 VAL 2 HG22 VAL 2 12.183 22.963 15.747 24 HG23 VAL 2 HG23 VAL 2 13.827 23.402 15.284 25 H GLN 3 HN GLN 3 10.685 18.411 14.665 26 HA GLN 3 HA GLN 3 12.499 16.785 13.088 27 HB2 GLN 3 HB2 GLN 3 9.625 16.327 13.917 28 HB3 GLN 3 HB1 GLN 3 10.572 15.187 12.977 29 HG2 GLN 3 HG2 GLN 3 10.738 14.356 15.121 30 HG3 GLN 3 HG1 GLN 3 12.231 15.271 14.938 31 HE21 GLN 3 HE21 GLN 3 9.041 16.640 15.498 32 HE22 GLN 3 HE22 GLN 3 9.394 17.271 17.069 33 H GLY 4 HN GLY 4 12.426 16.508 10.921 34 HA2 GLY 4 HA2 GLY 4 11.013 18.540 9.430 35 HA3 GLY 4 HA1 GLY 4 12.192 17.409 8.796 36 H ARG 5 HN ARG 5 9.487 16.261 10.641 37 HA ARG 5 HA ARG 5 8.702 14.500 8.592 38 HB2 ARG 5 HB2 ARG 5 7.145 13.628 10.081 39 HB3 ARG 5 HB1 ARG 5 8.374 14.278 11.152 40 HG2 ARG 5 HG2 ARG 5 5.807 15.683 10.438 41 HG3 ARG 5 HG1 ARG 5 6.062 14.727 11.896 42 HD2 ARG 5 HD2 ARG 5 7.764 16.251 12.653 43 HD3 ARG 5 HD1 ARG 5 7.691 17.146 11.137 44 HE ARG 5 HE ARG 5 5.151 17.067 12.412 45 HH11 ARG 5 HH11 ARG 5 8.272 18.656 12.513 46 HH12 ARG 5 HH12 ARG 5 7.659 20.098 13.258 47 HH21 ARG 5 HH21 ARG 5 4.336 18.963 13.387 48 HH22 ARG 5 HH22 ARG 5 5.418 20.272 13.757 49 H TRP 6 HN TRP 6 7.765 17.746 9.338 50 HA TRP 6 HA TRP 6 5.246 17.596 7.937 51 HB2 TRP 6 HB2 TRP 6 5.573 19.113 9.881 52 HB3 TRP 6 HB1 TRP 6 6.742 20.030 8.939 53 HD1 TRP 6 HD1 TRP 6 2.997 19.432 9.302 54 HE1 TRP 6 HE1 TRP 6 1.735 21.231 7.962 55 HE3 TRP 6 HE3 TRP 6 6.962 21.567 6.875 56 HZ2 TRP 6 HZ2 TRP 6 2.346 23.279 6.116 57 HZ3 TRP 6 HZ3 TRP 6 6.535 23.439 5.338 58 HH2 TRP 6 HH2 TRP 6 4.273 24.277 4.968 59 H LYS 7 HN LYS 7 8.502 18.750 7.359 60 HA LYS 7 HA LYS 7 8.005 20.068 4.917 61 HB2 LYS 7 HB2 LYS 7 10.525 18.810 6.009 62 HB3 LYS 7 HB1 LYS 7 10.468 19.824 4.574 63 HG2 LYS 7 HG2 LYS 7 9.723 21.707 5.875 64 HG3 LYS 7 HG1 LYS 7 9.620 20.706 7.323 65 HD2 LYS 7 HD2 LYS 7 12.012 20.356 7.296 66 HD3 LYS 7 HD1 LYS 7 12.153 21.237 5.774 67 HE2 LYS 7 HE2 LYS 7 12.805 22.630 7.670 68 HE3 LYS 7 HE1 LYS 7 11.374 23.270 6.864 69 HZ1 LYS 7 HZ1 LYS 7 11.317 21.619 9.331 70 HZ2 LYS 7 HZ2 LYS 7 9.998 22.377 8.593 71 HZ3 LYS 7 HZ3 LYS 7 11.218 23.307 9.301 72 H VAL 8 HN VAL 8 8.531 16.715 5.727 73 HA VAL 8 HA VAL 8 8.572 16.022 2.881 74 HB VAL 8 HB VAL 8 9.227 13.779 3.614 75 HG11 VAL 8 HG11 VAL 8 10.958 15.392 3.078 76 HG12 VAL 8 HG12 VAL 8 11.486 14.343 4.393 77 HG13 VAL 8 HG13 VAL 8 10.941 15.983 4.740 78 HG21 VAL 8 HG21 VAL 8 9.256 14.952 6.387 79 HG22 VAL 8 HG22 VAL 8 9.844 13.351 5.941 80 HG23 VAL 8 HG23 VAL 8 8.129 13.736 5.787 81 H ARG 9 HN ARG 9 6.272 16.668 4.955 82 HA ARG 9 HA ARG 9 4.798 14.278 5.239 83 HB2 ARG 9 HB2 ARG 9 4.531 16.138 6.776 84 HB3 ARG 9 HB1 ARG 9 3.935 17.161 5.476 85 HG2 ARG 9 HG2 ARG 9 2.006 15.700 5.222 86 HG3 ARG 9 HG1 ARG 9 2.590 14.691 6.546 87 HD2 ARG 9 HD2 ARG 9 2.488 16.680 8.029 88 HD3 ARG 9 HD1 ARG 9 1.775 17.593 6.701 89 HE ARG 9 HE ARG 9 0.283 15.239 7.177 90 HH11 ARG 9 HH11 ARG 9 0.899 18.413 8.519 91 HH12 ARG 9 HH12 ARG 9 -0.611 18.494 9.363 92 HH21 ARG 9 HH21 ARG 9 -1.710 15.335 8.285 93 HH22 ARG 9 HH22 ARG 9 -2.104 16.742 9.222 94 H ALA 10 HN ALA 10 4.379 17.076 3.059 95 HA ALA 10 HA ALA 10 2.282 15.608 1.671 96 HB1 ALA 10 HB1 ALA 10 3.320 18.405 1.220 97 HB2 ALA 10 HB2 ALA 10 1.899 17.964 2.166 98 HB3 ALA 10 HB3 ALA 10 1.922 17.685 0.425 99 H SER 11 HN SER 11 5.622 16.192 1.392 100 HA SER 11 HA SER 11 5.714 15.909 -1.478 101 HB2 SER 11 HB2 SER 11 8.249 15.913 -0.968 102 HB3 SER 11 HB1 SER 11 7.334 17.388 -0.657 103 HG SER 11 HG SER 11 8.183 17.205 1.264 104 H PHE 12 HN PHE 12 6.913 14.023 1.307 105 HA PHE 12 HA PHE 12 7.270 11.747 -0.524 106 HB2 PHE 12 HB2 PHE 12 8.542 12.315 2.158 107 HB3 PHE 12 HB1 PHE 12 8.787 10.837 1.234 108 HD1 PHE 12 HD1 PHE 12 10.148 10.824 -0.753 109 HD2 PHE 12 HD2 PHE 12 9.505 14.415 1.435 110 HE1 PHE 12 HE1 PHE 12 12.005 11.891 -1.961 111 HE2 PHE 12 HE2 PHE 12 11.357 15.489 0.227 112 HZ PHE 12 HZ PHE 12 12.611 14.226 -1.474 113 H PHE 13 HN PHE 13 6.046 12.605 2.690 114 HA PHE 13 HA PHE 13 5.336 10.056 3.545 115 HB2 PHE 13 HB2 PHE 13 5.425 11.915 5.086 116 HB3 PHE 13 HB1 PHE 13 4.109 12.726 4.239 117 HD1 PHE 13 HD1 PHE 13 1.978 12.529 5.062 118 HD2 PHE 13 HD2 PHE 13 4.834 9.517 6.006 119 HE1 PHE 13 HE1 PHE 13 0.335 11.436 6.531 120 HE2 PHE 13 HE2 PHE 13 3.197 8.423 7.480 121 HZ PHE 13 HZ PHE 13 0.944 9.380 7.741 122 H LYS 14 HN LYS 14 3.588 12.250 1.445 123 HA LYS 14 HA LYS 14 1.041 11.108 1.634 124 HB2 LYS 14 HB2 LYS 14 1.439 13.244 0.505 125 HB3 LYS 14 HB1 LYS 14 2.358 12.426 -0.749 126 HG2 LYS 14 HG2 LYS 14 0.179 12.909 -1.597 127 HG3 LYS 14 HG1 LYS 14 0.305 11.166 -1.356 128 HD2 LYS 14 HD2 LYS 14 -0.849 11.452 0.834 129 HD3 LYS 14 HD1 LYS 14 -1.089 13.154 0.435 130 HE2 LYS 14 HE2 LYS 14 -2.150 10.776 -1.087 131 HE3 LYS 14 HE1 LYS 14 -3.085 11.890 -0.091 132 HZ1 LYS 14 HZ1 LYS 14 -2.465 13.676 -1.630 133 HZ2 LYS 14 HZ2 LYS 14 -3.329 12.448 -2.401 134 HZ3 LYS 14 HZ3 LYS 14 -1.655 12.557 -2.607 135 H GLU 15 HN GLU 15 3.802 10.326 -0.410 136 HA GLU 15 HA GLU 15 2.404 8.124 -1.659 137 HB2 GLU 15 HB2 GLU 15 4.035 9.443 -2.953 138 HB3 GLU 15 HB1 GLU 15 5.310 8.946 -1.849 139 HG2 GLU 15 HG2 GLU 15 4.967 6.618 -2.511 140 HG3 GLU 15 HG1 GLU 15 3.708 7.128 -3.633 141 H ALA 16 HN ALA 16 4.841 8.645 0.817 142 HA ALA 16 HA ALA 16 5.684 6.010 1.178 143 HB1 ALA 16 HB1 ALA 16 6.772 8.008 2.160 144 HB2 ALA 16 HB2 ALA 16 6.510 6.708 3.321 145 HB3 ALA 16 HB3 ALA 16 5.446 8.112 3.320 146 H ALA 17 HN ALA 17 2.905 7.735 2.506 147 HA ALA 17 HA ALA 17 2.071 5.685 4.276 148 HB1 ALA 17 HB1 ALA 17 -0.058 6.869 4.352 149 HB2 ALA 17 HB2 ALA 17 0.421 7.834 2.956 150 HB3 ALA 17 HB3 ALA 17 1.294 7.995 4.478 151 H ALA 18 HN ALA 18 1.220 6.476 0.934 152 HA ALA 18 HA ALA 18 -0.699 4.418 0.623 153 HB1 ALA 18 HB1 ALA 18 0.925 5.823 -1.496 154 HB2 ALA 18 HB2 ALA 18 -0.614 6.383 -0.842 155 HB3 ALA 18 HB3 ALA 18 -0.541 4.880 -1.761 156 H LYS 19 HN LYS 19 2.759 4.631 0.053 157 HA LYS 19 HA LYS 19 3.025 2.055 -1.136 158 HB2 LYS 19 HB2 LYS 19 4.675 3.835 -1.482 159 HB3 LYS 19 HB1 LYS 19 5.070 3.816 0.231 160 HG2 LYS 19 HG2 LYS 19 5.950 1.569 0.036 161 HG3 LYS 19 HG1 LYS 19 5.487 1.516 -1.666 162 HD2 LYS 19 HD2 LYS 19 7.006 3.372 -2.139 163 HD3 LYS 19 HD1 LYS 19 7.463 3.436 -0.436 164 HE2 LYS 19 HE2 LYS 19 9.118 2.233 -1.796 165 HE3 LYS 19 HE1 LYS 19 8.389 1.205 -0.566 166 HZ1 LYS 19 HZ1 LYS 19 7.527 1.275 -3.403 167 HZ2 LYS 19 HZ2 LYS 19 6.998 0.200 -2.213 168 HZ3 LYS 19 HZ3 LYS 19 8.595 0.133 -2.763 169 H GLU 20 HN GLU 20 2.885 3.228 2.115 170 HA GLU 20 HA GLU 20 4.002 0.853 3.292 171 HB2 GLU 20 HB2 GLU 20 4.158 3.120 4.323 172 HB3 GLU 20 HB1 GLU 20 2.419 3.080 4.583 173 HG2 GLU 20 HG2 GLU 20 3.615 2.526 6.609 174 HG3 GLU 20 HG1 GLU 20 2.671 1.149 6.038 175 H ALA 21 HN ALA 21 0.776 2.343 3.217 176 HA ALA 21 HA ALA 21 -0.407 0.043 4.482 177 HB1 ALA 21 HB1 ALA 21 -1.138 2.331 4.985 178 HB2 ALA 21 HB2 ALA 21 -2.463 1.315 4.420 179 HB3 ALA 21 HB3 ALA 21 -1.729 2.495 3.332 180 H ALA 22 HN ALA 22 -0.800 1.622 1.305 181 HA ALA 22 HA ALA 22 -2.681 -0.380 0.462 182 HB1 ALA 22 HB1 ALA 22 -1.436 1.861 -1.121 183 HB2 ALA 22 HB2 ALA 22 -2.942 1.955 -0.206 184 HB3 ALA 22 HB3 ALA 22 -2.824 0.886 -1.603 185 H ALA 23 HN ALA 23 0.428 -0.796 0.854 186 HA ALA 23 HA ALA 23 0.750 -2.364 -1.611 187 HB1 ALA 23 HB1 ALA 23 2.557 -0.763 -1.184 188 HB2 ALA 23 HB2 ALA 23 3.133 -2.428 -1.137 189 HB3 ALA 23 HB3 ALA 23 2.873 -1.542 0.366 190 H LYS 24 HN LYS 24 0.633 -2.476 1.869 191 HA LYS 24 HA LYS 24 0.119 -5.324 1.731 192 HB2 LYS 24 HB2 LYS 24 2.573 -5.176 2.079 193 HB3 LYS 24 HB1 LYS 24 2.288 -4.241 3.542 194 HG2 LYS 24 HG2 LYS 24 1.161 -6.116 4.567 195 HG3 LYS 24 HG1 LYS 24 1.315 -7.054 3.081 196 HD2 LYS 24 HD2 LYS 24 3.785 -6.888 3.303 197 HD3 LYS 24 HD1 LYS 24 3.551 -6.088 4.860 198 HE2 LYS 24 HE2 LYS 24 2.416 -8.037 5.731 199 HE3 LYS 24 HE1 LYS 24 2.520 -8.830 4.161 200 HZ1 LYS 24 HZ1 LYS 24 4.220 -9.647 5.642 201 HZ2 LYS 24 HZ2 LYS 24 4.812 -8.084 5.888 202 HZ3 LYS 24 HZ3 LYS 24 4.936 -8.802 4.363 203 H GLY 25 HN GLY 25 -1.530 -5.805 3.022 204 HA2 GLY 25 HA2 GLY 25 -2.750 -5.735 5.054 205 HA3 GLY 25 HA1 GLY 25 -2.013 -4.182 5.417 206 H PHE 26 HN PHE 26 -2.483 -2.695 3.248 207 HA PHE 26 HA PHE 26 -5.421 -2.628 3.098 208 HB2 PHE 26 HB2 PHE 26 -3.430 -0.350 2.895 209 HB3 PHE 26 HB1 PHE 26 -5.172 -0.187 2.689 210 HD1 PHE 26 HD1 PHE 26 -6.581 0.105 4.533 211 HD2 PHE 26 HD2 PHE 26 -2.555 -1.133 5.140 212 HE1 PHE 26 HE1 PHE 26 -6.842 0.452 6.953 213 HE2 PHE 26 HE2 PHE 26 -2.810 -0.790 7.562 214 HZ PHE 26 HZ PHE 26 -4.955 0.003 8.472 215 H ALA 27 HN ALA 27 -3.486 -4.088 1.403 216 HA ALA 27 HA ALA 27 -3.986 -2.776 -1.171 217 HB1 ALA 27 HB1 ALA 27 -2.262 -4.240 -2.098 218 HB2 ALA 27 HB2 ALA 27 -2.074 -5.014 -0.524 219 HB3 ALA 27 HB3 ALA 27 -1.640 -3.317 -0.730 220 H TRP 28 HN TRP 28 -5.459 -4.764 0.749 221 HA TRP 28 HA TRP 28 -6.752 -6.241 -1.402 222 HB2 TRP 28 HB2 TRP 28 -5.456 -7.397 1.036 223 HB3 TRP 28 HB1 TRP 28 -6.894 -8.148 0.373 224 HD1 TRP 28 HD1 TRP 28 -3.309 -7.209 -0.742 225 HE1 TRP 28 HE1 TRP 28 -2.549 -8.902 -2.523 226 HE3 TRP 28 HE3 TRP 28 -7.632 -9.902 -1.204 227 HZ2 TRP 28 HZ2 TRP 28 -3.631 -11.090 -3.930 228 HZ3 TRP 28 HZ3 TRP 28 -7.681 -11.784 -2.789 229 HH2 TRP 28 HH2 TRP 28 -5.722 -12.363 -4.123 230 H ASN 29 HN ASN 29 -7.648 -3.958 -0.281 231 HA ASN 29 HA ASN 29 -9.733 -4.821 1.601 232 HB2 ASN 29 HB2 ASN 29 -8.522 -2.087 1.175 233 HB3 ASN 29 HB1 ASN 29 -9.970 -2.371 2.131 234 HD21 ASN 29 HD21 ASN 29 -8.836 -4.973 3.089 235 HD22 ASN 29 HD22 ASN 29 -7.688 -4.525 4.300 236 H VAL 30 HN VAL 30 -11.780 -3.693 1.427 237 HA VAL 30 HA VAL 30 -12.512 -3.031 -1.351 238 HB VAL 30 HB VAL 30 -14.425 -3.767 0.867 239 HG11 VAL 30 HG11 VAL 30 -14.705 -3.759 -2.132 240 HG12 VAL 30 HG12 VAL 30 -15.412 -2.604 -1.002 241 HG13 VAL 30 HG13 VAL 30 -15.942 -4.286 -0.989 242 HG21 VAL 30 HG21 VAL 30 -12.967 -5.659 0.640 243 HG22 VAL 30 HG22 VAL 30 -13.132 -5.627 -1.117 244 HG23 VAL 30 HG23 VAL 30 -14.520 -6.037 -0.108 245 H CYS 31 HN CYS 31 -12.234 -0.830 -1.418 246 HA CYS 31 HA CYS 31 -13.191 0.721 0.872 247 HB2 CYS 31 HB2 CYS 31 -11.917 2.605 -0.134 248 HB3 CYS 31 HB1 CYS 31 -10.928 1.220 0.301 249 HG CYS 31 HG CYS 31 -11.688 0.650 -2.750 250 H VAL 32 HN VAL 32 -14.922 1.882 0.824 251 HA VAL 32 HA VAL 32 -15.958 2.915 -1.716 252 HB VAL 32 HB VAL 32 -18.321 2.443 -0.719 253 HG11 VAL 32 HG11 VAL 32 -18.412 0.308 -1.922 254 HG12 VAL 32 HG12 VAL 32 -16.648 0.271 -1.965 255 HG13 VAL 32 HG13 VAL 32 -17.526 1.546 -2.813 256 HG21 VAL 32 HG21 VAL 32 -18.458 0.327 0.522 257 HG22 VAL 32 HG22 VAL 32 -17.585 1.562 1.426 258 HG23 VAL 32 HG23 VAL 32 -16.697 0.274 0.613 259 H TYR 33 HN TYR 33 -17.375 4.749 -1.430 260 HA TYR 33 HA TYR 33 -16.472 6.268 0.889 261 HB2 TYR 33 HB2 TYR 33 -17.723 7.091 -1.716 262 HB3 TYR 33 HB1 TYR 33 -17.585 8.208 -0.366 263 HD1 TYR 33 HD1 TYR 33 -15.608 9.383 0.007 264 HD2 TYR 33 HD2 TYR 33 -15.542 5.995 -2.565 265 HE1 TYR 33 HE1 TYR 33 -13.296 9.911 -0.618 266 HE2 TYR 33 HE2 TYR 33 -13.225 6.517 -3.196 267 HH TYR 33 HH TYR 33 -11.329 8.791 -1.503 268 H ARG 34 HN ARG 34 -17.690 5.537 2.542 269 HA ARG 34 HA ARG 34 -20.589 5.868 2.353 270 HB2 ARG 34 HB2 ARG 34 -18.819 4.510 4.394 271 HB3 ARG 34 HB1 ARG 34 -20.516 4.866 4.712 272 HG2 ARG 34 HG2 ARG 34 -21.024 3.582 2.574 273 HG3 ARG 34 HG1 ARG 34 -19.353 3.018 2.656 274 HD2 ARG 34 HD2 ARG 34 -20.894 1.420 3.685 275 HD3 ARG 34 HD1 ARG 34 -19.762 2.081 4.865 276 HE ARG 34 HE ARG 34 -21.952 3.702 5.043 277 HH11 ARG 34 HH11 ARG 34 -21.456 0.243 5.296 278 HH12 ARG 34 HH12 ARG 34 -22.734 0.024 6.447 279 HH21 ARG 34 HH21 ARG 34 -23.641 3.403 6.541 280 HH22 ARG 34 HH22 ARG 34 -23.980 1.813 7.148 281 H ASN 35 HN ASN 35 -21.382 7.746 2.860 282 HA ASN 35 HA ASN 35 -21.674 9.813 3.739 283 HB2 ASN 35 HB2 ASN 35 -21.635 8.511 5.899 284 HB3 ASN 35 HB1 ASN 35 -19.921 8.882 6.029 285 HD21 ASN 35 HD21 ASN 35 -19.286 10.896 6.673 286 HD22 ASN 35 HD22 ASN 35 -20.387 12.109 7.238 287 H GLY 36 HN GLY 36 -19.574 9.273 1.883 288 HA2 GLY 36 HA2 GLY 36 -18.103 10.701 0.805 289 HA3 GLY 36 HA1 GLY 36 -18.165 11.771 2.195 290 H VAL 37 HN VAL 37 -17.504 8.996 3.648 291 HA VAL 37 HA VAL 37 -14.605 9.459 3.508 292 HB VAL 37 HB VAL 37 -16.143 7.827 5.531 293 HG11 VAL 37 HG11 VAL 37 -13.327 8.896 5.593 294 HG12 VAL 37 HG12 VAL 37 -13.790 7.214 5.340 295 HG13 VAL 37 HG13 VAL 37 -14.122 7.996 6.885 296 HG21 VAL 37 HG21 VAL 37 -16.845 10.153 5.634 297 HG22 VAL 37 HG22 VAL 37 -15.161 10.668 5.737 298 HG23 VAL 37 HG23 VAL 37 -15.879 9.732 7.047 299 H ARG 38 HN ARG 38 -13.217 7.949 2.851 300 HA ARG 38 HA ARG 38 -14.289 5.748 1.347 301 HB2 ARG 38 HB2 ARG 38 -12.417 7.097 0.495 302 HB3 ARG 38 HB1 ARG 38 -11.427 6.579 1.851 303 HG2 ARG 38 HG2 ARG 38 -11.403 4.322 1.059 304 HG3 ARG 38 HG1 ARG 38 -12.600 4.693 -0.184 305 HD2 ARG 38 HD2 ARG 38 -10.402 4.565 -1.179 306 HD3 ARG 38 HD1 ARG 38 -10.985 6.225 -1.242 307 HE ARG 38 HE ARG 38 -9.537 6.217 1.022 308 HH11 ARG 38 HH11 ARG 38 -8.810 5.107 -2.220 309 HH12 ARG 38 HH12 ARG 38 -7.116 5.460 -2.098 310 HH21 ARG 38 HH21 ARG 38 -7.309 6.690 1.180 311 HH22 ARG 38 HH22 ARG 38 -6.261 6.361 -0.164 312 H VAL 39 HN VAL 39 -15.180 4.387 2.818 313 HA VAL 39 HA VAL 39 -13.681 3.372 5.063 314 HB VAL 39 HB VAL 39 -16.150 3.840 5.102 315 HG11 VAL 39 HG11 VAL 39 -17.651 2.124 4.224 316 HG12 VAL 39 HG12 VAL 39 -16.271 1.339 3.456 317 HG13 VAL 39 HG13 VAL 39 -16.753 2.959 2.956 318 HG21 VAL 39 HG21 VAL 39 -16.730 1.898 6.451 319 HG22 VAL 39 HG22 VAL 39 -15.112 2.490 6.830 320 HG23 VAL 39 HG23 VAL 39 -15.311 1.045 5.839 321 H CYS 40 HN CYS 40 -12.698 1.376 5.191 322 HA CYS 40 HA CYS 40 -12.854 -0.302 2.786 323 HB2 CYS 40 HB2 CYS 40 -10.389 -0.652 2.967 324 HB3 CYS 40 HB1 CYS 40 -10.850 0.993 2.557 325 HG CYS 40 HG CYS 40 -10.353 0.327 5.831 326 H HIS 41 HN HIS 41 -13.081 -2.402 3.142 327 HA HIS 41 HA HIS 41 -12.284 -3.463 5.771 328 HB2 HIS 41 HB2 HIS 41 -14.116 -5.146 5.569 329 HB3 HIS 41 HB1 HIS 41 -14.680 -3.504 5.796 330 HD1 HIS 41 HD1 HIS 41 -15.316 -6.430 3.875 331 HD2 HIS 41 HD2 HIS 41 -15.489 -2.346 3.121 332 HE1 HIS 41 HE1 HIS 41 -16.814 -6.177 1.877 333 HE2 HIS 41 HE2 HIS 41 -17.065 -3.693 1.573 334 H ARG 42 HN ARG 42 -11.916 -5.860 5.703 335 HA ARG 42 HA ARG 42 -9.974 -6.301 3.623 336 HB2 ARG 42 HB2 ARG 42 -10.828 -8.001 5.972 337 HB3 ARG 42 HB1 ARG 42 -9.512 -8.414 4.882 338 HG2 ARG 42 HG2 ARG 42 -8.372 -6.318 5.515 339 HG3 ARG 42 HG1 ARG 42 -9.664 -5.998 6.670 340 HD2 ARG 42 HD2 ARG 42 -9.118 -8.079 7.846 341 HD3 ARG 42 HD1 ARG 42 -7.820 -8.386 6.692 342 HE ARG 42 HE ARG 42 -7.514 -5.837 7.905 343 HH11 ARG 42 HH11 ARG 42 -7.113 -9.251 8.555 344 HH12 ARG 42 HH12 ARG 42 -5.864 -9.009 9.732 345 HH21 ARG 42 HH21 ARG 42 -5.872 -5.509 9.446 346 HH22 ARG 42 HH22 ARG 42 -5.137 -6.877 10.226 347 H ARG 43 HN ARG 43 -9.937 -7.978 2.119 348 HA ARG 43 HA ARG 43 -12.554 -8.713 1.153 349 HB2 ARG 43 HB2 ARG 43 -9.801 -9.281 0.038 350 HB3 ARG 43 HB1 ARG 43 -11.314 -9.666 -0.769 351 HG2 ARG 43 HG2 ARG 43 -11.880 -7.335 -0.917 352 HG3 ARG 43 HG1 ARG 43 -10.437 -6.891 -0.003 353 HD2 ARG 43 HD2 ARG 43 -9.105 -8.020 -1.849 354 HD3 ARG 43 HD1 ARG 43 -10.605 -8.057 -2.773 355 HE ARG 43 HE ARG 43 -10.233 -5.442 -1.888 356 HH11 ARG 43 HH11 ARG 43 -8.684 -7.699 -4.080 357 HH12 ARG 43 HH12 ARG 43 -7.985 -6.447 -5.057 358 HH21 ARG 43 HH21 ARG 43 -9.311 -3.815 -3.163 359 HH22 ARG 43 HH22 ARG 43 -8.343 -4.238 -4.540 360 H ALA 44 HN ALA 44 -13.296 -10.774 0.862 361 HA ALA 44 HA ALA 44 -12.125 -12.752 2.680 362 HB1 ALA 44 HB1 ALA 44 -14.470 -12.146 3.069 363 HB2 ALA 44 HB2 ALA 44 -14.296 -13.847 2.635 364 HB3 ALA 44 HB3 ALA 44 -14.873 -12.689 1.439 365 H ASN 45 HN ASN 45 -10.454 -13.088 1.009 366 HA ASN 45 HA ASN 45 -11.406 -14.883 -1.124 367 HB2 ASN 45 HB2 ASN 45 -9.090 -12.937 -1.171 368 HB3 ASN 45 HB1 ASN 45 -9.363 -14.164 -2.403 369 HD21 ASN 45 HD21 ASN 45 -9.318 -11.257 -2.625 370 HD22 ASN 45 HD22 ASN 45 -10.848 -10.809 -3.293 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 9.802 -36.634 13.665 2 H2 ARG 1 HT2 ARG 1 9.168 -36.039 15.111 3 H3 ARG 1 HT3 ARG 1 10.111 -37.442 15.117 4 HA ARG 1 HA ARG 1 11.384 -35.602 15.938 5 HB2 ARG 1 HB2 ARG 1 12.187 -36.559 13.188 6 HB3 ARG 1 HB1 ARG 1 13.253 -35.657 14.252 7 HG2 ARG 1 HG2 ARG 1 12.040 -38.348 14.849 8 HG3 ARG 1 HG1 ARG 1 13.701 -38.050 14.341 9 HD2 ARG 1 HD2 ARG 1 12.392 -37.119 16.895 10 HD3 ARG 1 HD1 ARG 1 13.630 -38.362 16.735 11 HE ARG 1 HE ARG 1 14.844 -36.212 15.676 12 HH11 ARG 1 HH11 ARG 1 13.163 -36.733 18.704 13 HH12 ARG 1 HH12 ARG 1 14.053 -35.508 19.552 14 HH21 ARG 1 HH21 ARG 1 15.999 -34.587 16.778 15 HH22 ARG 1 HH22 ARG 1 15.661 -34.275 18.454 16 H VAL 2 HN VAL 2 9.851 -34.964 12.836 17 HA VAL 2 HA VAL 2 10.889 -32.251 12.787 18 HB VAL 2 HB VAL 2 9.596 -31.985 10.707 19 HG11 VAL 2 HG11 VAL 2 11.285 -34.482 10.798 20 HG12 VAL 2 HG12 VAL 2 11.875 -32.831 10.602 21 HG13 VAL 2 HG13 VAL 2 10.881 -33.567 9.344 22 HG21 VAL 2 HG21 VAL 2 7.717 -33.451 11.244 23 HG22 VAL 2 HG22 VAL 2 8.779 -34.855 11.153 24 HG23 VAL 2 HG23 VAL 2 8.455 -33.902 9.707 25 H GLN 3 HN GLN 3 9.361 -30.428 12.479 26 HA GLN 3 HA GLN 3 7.007 -30.771 14.216 27 HB2 GLN 3 HB2 GLN 3 8.730 -28.309 13.875 28 HB3 GLN 3 HB1 GLN 3 7.319 -28.438 14.916 29 HG2 GLN 3 HG2 GLN 3 9.885 -29.984 15.211 30 HG3 GLN 3 HG1 GLN 3 9.370 -28.614 16.196 31 HE21 GLN 3 HE21 GLN 3 10.010 -31.343 16.986 32 HE22 GLN 3 HE22 GLN 3 8.600 -31.958 17.776 33 H GLY 4 HN GLY 4 5.238 -30.759 13.012 34 HA2 GLY 4 HA2 GLY 4 5.082 -29.686 10.398 35 HA3 GLY 4 HA1 GLY 4 3.724 -30.232 11.369 36 H ARG 5 HN ARG 5 4.243 -28.401 13.550 37 HA ARG 5 HA ARG 5 2.756 -26.190 12.708 38 HB2 ARG 5 HB2 ARG 5 3.430 -25.176 14.910 39 HB3 ARG 5 HB1 ARG 5 2.691 -26.763 15.010 40 HG2 ARG 5 HG2 ARG 5 4.437 -26.863 16.535 41 HG3 ARG 5 HG1 ARG 5 5.087 -27.667 15.110 42 HD2 ARG 5 HD2 ARG 5 6.726 -26.154 16.109 43 HD3 ARG 5 HD1 ARG 5 6.276 -25.634 14.487 44 HE ARG 5 HE ARG 5 4.605 -24.229 16.108 45 HH11 ARG 5 HH11 ARG 5 8.079 -24.623 15.964 46 HH12 ARG 5 HH12 ARG 5 8.412 -23.036 16.579 47 HH21 ARG 5 HH21 ARG 5 5.037 -22.146 16.928 48 HH22 ARG 5 HH22 ARG 5 6.680 -21.621 17.122 49 H TRP 6 HN TRP 6 6.128 -26.807 12.512 50 HA TRP 6 HA TRP 6 6.786 -24.001 12.103 51 HB2 TRP 6 HB2 TRP 6 8.307 -25.554 13.378 52 HB3 TRP 6 HB1 TRP 6 8.606 -26.405 11.866 53 HD1 TRP 6 HD1 TRP 6 10.644 -25.578 10.543 54 HE1 TRP 6 HE1 TRP 6 12.099 -23.451 10.539 55 HE3 TRP 6 HE3 TRP 6 7.991 -22.773 13.895 56 HZ2 TRP 6 HZ2 TRP 6 12.110 -20.920 11.787 57 HZ3 TRP 6 HZ3 TRP 6 8.788 -20.510 14.431 58 HH2 TRP 6 HH2 TRP 6 10.805 -19.602 13.399 59 H LYS 7 HN LYS 7 6.491 -27.027 10.345 60 HA LYS 7 HA LYS 7 7.446 -26.164 7.856 61 HB2 LYS 7 HB2 LYS 7 7.030 -28.528 8.395 62 HB3 LYS 7 HB1 LYS 7 5.301 -28.213 8.445 63 HG2 LYS 7 HG2 LYS 7 5.296 -27.674 6.088 64 HG3 LYS 7 HG1 LYS 7 7.046 -27.875 6.014 65 HD2 LYS 7 HD2 LYS 7 6.782 -30.237 6.651 66 HD3 LYS 7 HD1 LYS 7 5.031 -30.023 6.670 67 HE2 LYS 7 HE2 LYS 7 5.796 -31.046 4.579 68 HE3 LYS 7 HE1 LYS 7 5.052 -29.473 4.303 69 HZ1 LYS 7 HZ1 LYS 7 7.083 -29.758 3.015 70 HZ2 LYS 7 HZ2 LYS 7 7.975 -29.988 4.434 71 HZ3 LYS 7 HZ3 LYS 7 7.244 -28.495 4.126 72 H VAL 8 HN VAL 8 4.174 -26.111 9.235 73 HA VAL 8 HA VAL 8 2.840 -25.037 7.018 74 HB VAL 8 HB VAL 8 2.200 -24.576 9.941 75 HG11 VAL 8 HG11 VAL 8 0.450 -24.338 7.494 76 HG12 VAL 8 HG12 VAL 8 1.034 -23.005 8.489 77 HG13 VAL 8 HG13 VAL 8 -0.091 -24.181 9.165 78 HG21 VAL 8 HG21 VAL 8 2.324 -26.948 9.397 79 HG22 VAL 8 HG22 VAL 8 1.221 -26.706 8.043 80 HG23 VAL 8 HG23 VAL 8 0.657 -26.458 9.695 81 H ARG 9 HN ARG 9 4.643 -23.463 9.613 82 HA ARG 9 HA ARG 9 3.938 -20.820 8.833 83 HB2 ARG 9 HB2 ARG 9 4.629 -21.257 11.110 84 HB3 ARG 9 HB1 ARG 9 6.186 -21.864 10.559 85 HG2 ARG 9 HG2 ARG 9 6.790 -19.674 9.758 86 HG3 ARG 9 HG1 ARG 9 5.208 -19.038 10.210 87 HD2 ARG 9 HD2 ARG 9 5.679 -19.567 12.552 88 HD3 ARG 9 HD1 ARG 9 7.266 -20.184 12.097 89 HE ARG 9 HE ARG 9 7.319 -17.665 11.140 90 HH11 ARG 9 HH11 ARG 9 6.423 -18.970 14.262 91 HH12 ARG 9 HH12 ARG 9 6.953 -17.570 15.140 92 HH21 ARG 9 HH21 ARG 9 8.022 -15.826 12.283 93 HH22 ARG 9 HH22 ARG 9 7.867 -15.775 14.013 94 H ALA 10 HN ALA 10 6.810 -22.852 8.365 95 HA ALA 10 HA ALA 10 8.316 -20.956 6.932 96 HB1 ALA 10 HB1 ALA 10 8.490 -23.963 6.804 97 HB2 ALA 10 HB2 ALA 10 9.298 -22.934 7.988 98 HB3 ALA 10 HB3 ALA 10 9.731 -22.823 6.282 99 H SER 11 HN SER 11 5.969 -23.366 5.883 100 HA SER 11 HA SER 11 6.454 -23.226 3.121 101 HB2 SER 11 HB2 SER 11 5.056 -24.962 4.275 102 HB3 SER 11 HB1 SER 11 3.794 -23.749 4.473 103 HG SER 11 HG SER 11 3.549 -23.655 2.263 104 H PHE 12 HN PHE 12 4.067 -21.489 5.124 105 HA PHE 12 HA PHE 12 3.206 -19.827 2.971 106 HB2 PHE 12 HB2 PHE 12 2.771 -19.767 5.947 107 HB3 PHE 12 HB1 PHE 12 2.204 -18.456 4.919 108 HD1 PHE 12 HD1 PHE 12 1.966 -22.133 5.407 109 HD2 PHE 12 HD2 PHE 12 0.174 -18.622 3.806 110 HE1 PHE 12 HE1 PHE 12 -0.076 -23.408 4.903 111 HE2 PHE 12 HE2 PHE 12 -1.871 -19.892 3.300 112 HZ PHE 12 HZ PHE 12 -1.997 -22.288 3.849 113 H PHE 13 HN PHE 13 5.745 -19.667 5.318 114 HA PHE 13 HA PHE 13 6.305 -16.938 5.329 115 HB2 PHE 13 HB2 PHE 13 7.329 -18.474 6.914 116 HB3 PHE 13 HB1 PHE 13 8.186 -19.286 5.610 117 HD1 PHE 13 HD1 PHE 13 7.859 -15.991 7.299 118 HD2 PHE 13 HD2 PHE 13 10.327 -18.614 5.029 119 HE1 PHE 13 HE1 PHE 13 9.763 -14.468 7.617 120 HE2 PHE 13 HE2 PHE 13 12.236 -17.094 5.343 121 HZ PHE 13 HZ PHE 13 11.956 -15.019 6.638 122 H LYS 14 HN LYS 14 6.914 -19.339 2.948 123 HA LYS 14 HA LYS 14 8.961 -18.036 1.507 124 HB2 LYS 14 HB2 LYS 14 8.319 -20.428 1.223 125 HB3 LYS 14 HB1 LYS 14 6.844 -19.906 0.423 126 HG2 LYS 14 HG2 LYS 14 8.188 -18.831 -1.324 127 HG3 LYS 14 HG1 LYS 14 9.656 -19.397 -0.530 128 HD2 LYS 14 HD2 LYS 14 7.482 -21.238 -1.512 129 HD3 LYS 14 HD1 LYS 14 8.868 -20.773 -2.491 130 HE2 LYS 14 HE2 LYS 14 9.489 -22.829 -1.585 131 HE3 LYS 14 HE1 LYS 14 10.294 -21.653 -0.551 132 HZ1 LYS 14 HZ1 LYS 14 8.705 -21.997 1.143 133 HZ2 LYS 14 HZ2 LYS 14 9.163 -23.532 0.620 134 HZ3 LYS 14 HZ3 LYS 14 7.684 -22.881 0.129 135 H GLU 15 HN GLU 15 5.432 -17.988 1.232 136 HA GLU 15 HA GLU 15 5.564 -15.940 -0.833 137 HB2 GLU 15 HB2 GLU 15 3.221 -17.372 0.428 138 HB3 GLU 15 HB1 GLU 15 3.073 -16.152 -0.829 139 HG2 GLU 15 HG2 GLU 15 4.428 -17.572 -2.320 140 HG3 GLU 15 HG1 GLU 15 4.465 -18.809 -1.064 141 H ALA 16 HN ALA 16 5.445 -16.110 2.524 142 HA ALA 16 HA ALA 16 3.827 -13.907 3.175 143 HB1 ALA 16 HB1 ALA 16 4.934 -13.929 5.331 144 HB2 ALA 16 HB2 ALA 16 6.218 -14.950 4.686 145 HB3 ALA 16 HB3 ALA 16 4.574 -15.577 4.815 146 H ALA 17 HN ALA 17 7.083 -14.142 2.006 147 HA ALA 17 HA ALA 17 7.995 -11.556 2.613 148 HB1 ALA 17 HB1 ALA 17 9.618 -11.903 0.829 149 HB2 ALA 17 HB2 ALA 17 8.690 -13.276 0.230 150 HB3 ALA 17 HB3 ALA 17 9.461 -13.356 1.813 151 H ALA 18 HN ALA 18 5.933 -12.802 0.077 152 HA ALA 18 HA ALA 18 5.784 -10.236 -1.271 153 HB1 ALA 18 HB1 ALA 18 5.748 -12.257 -2.621 154 HB2 ALA 18 HB2 ALA 18 4.223 -11.386 -2.785 155 HB3 ALA 18 HB3 ALA 18 4.313 -12.824 -1.768 156 H LYS 19 HN LYS 19 4.155 -12.014 1.164 157 HA LYS 19 HA LYS 19 1.588 -10.804 0.983 158 HB2 LYS 19 HB2 LYS 19 2.137 -12.960 2.165 159 HB3 LYS 19 HB1 LYS 19 2.900 -12.006 3.429 160 HG2 LYS 19 HG2 LYS 19 0.687 -10.862 3.755 161 HG3 LYS 19 HG1 LYS 19 -0.005 -12.068 2.668 162 HD2 LYS 19 HD2 LYS 19 0.907 -13.836 4.179 163 HD3 LYS 19 HD1 LYS 19 1.372 -12.561 5.303 164 HE2 LYS 19 HE2 LYS 19 -0.698 -13.389 6.076 165 HE3 LYS 19 HE1 LYS 19 -1.050 -11.846 5.301 166 HZ1 LYS 19 HZ1 LYS 19 -1.455 -14.534 4.108 167 HZ2 LYS 19 HZ2 LYS 19 -1.739 -13.071 3.316 168 HZ3 LYS 19 HZ3 LYS 19 -2.667 -13.494 4.662 169 H GLU 20 HN GLU 20 4.463 -10.168 2.971 170 HA GLU 20 HA GLU 20 3.321 -7.913 4.292 171 HB2 GLU 20 HB2 GLU 20 5.647 -7.462 5.034 172 HB3 GLU 20 HB1 GLU 20 5.127 -9.111 5.351 173 HG2 GLU 20 HG2 GLU 20 6.409 -9.948 3.535 174 HG3 GLU 20 HG1 GLU 20 6.763 -8.319 2.961 175 H ALA 21 HN ALA 21 4.914 -8.403 1.272 176 HA ALA 21 HA ALA 21 5.608 -5.664 0.809 177 HB1 ALA 21 HB1 ALA 21 5.321 -7.931 -1.159 178 HB2 ALA 21 HB2 ALA 21 6.799 -7.499 -0.298 179 HB3 ALA 21 HB3 ALA 21 6.097 -6.378 -1.467 180 H ALA 22 HN ALA 22 2.744 -7.428 0.761 181 HA ALA 22 HA ALA 22 1.411 -5.569 -1.060 182 HB1 ALA 22 HB1 ALA 22 0.407 -8.123 0.197 183 HB2 ALA 22 HB2 ALA 22 1.005 -7.944 -1.452 184 HB3 ALA 22 HB3 ALA 22 -0.477 -7.126 -0.958 185 H ALA 23 HN ALA 23 2.398 -5.085 1.735 186 HA ALA 23 HA ALA 23 0.707 -5.079 3.791 187 HB1 ALA 23 HB1 ALA 23 2.313 -2.666 2.981 188 HB2 ALA 23 HB2 ALA 23 2.941 -4.082 3.824 189 HB3 ALA 23 HB3 ALA 23 1.741 -3.052 4.603 190 H LYS 24 HN LYS 24 0.498 -2.680 1.162 191 HA LYS 24 HA LYS 24 -1.916 -1.592 2.381 192 HB2 LYS 24 HB2 LYS 24 -0.101 -0.139 1.349 193 HB3 LYS 24 HB1 LYS 24 -0.651 -0.725 -0.215 194 HG2 LYS 24 HG2 LYS 24 -2.908 0.169 0.299 195 HG3 LYS 24 HG1 LYS 24 -2.253 0.852 1.788 196 HD2 LYS 24 HD2 LYS 24 -2.283 2.583 0.144 197 HD3 LYS 24 HD1 LYS 24 -0.601 2.109 0.389 198 HE2 LYS 24 HE2 LYS 24 -0.735 0.691 -1.618 199 HE3 LYS 24 HE1 LYS 24 -2.399 1.221 -1.867 200 HZ1 LYS 24 HZ1 LYS 24 -0.821 2.447 -3.238 201 HZ2 LYS 24 HZ2 LYS 24 -0.021 2.997 -1.856 202 HZ3 LYS 24 HZ3 LYS 24 -1.617 3.473 -2.154 203 H GLY 25 HN GLY 25 -2.662 -3.975 1.918 204 HA2 GLY 25 HA2 GLY 25 -4.861 -4.322 0.708 205 HA3 GLY 25 HA1 GLY 25 -3.928 -4.016 -0.747 206 H PHE 26 HN PHE 26 -2.956 -5.930 2.071 207 HA PHE 26 HA PHE 26 -2.391 -8.155 0.307 208 HB2 PHE 26 HB2 PHE 26 -1.375 -9.230 2.268 209 HB3 PHE 26 HB1 PHE 26 -0.732 -7.607 2.039 210 HD1 PHE 26 HD1 PHE 26 -2.678 -9.804 4.194 211 HD2 PHE 26 HD2 PHE 26 -1.335 -5.811 3.592 212 HE1 PHE 26 HE1 PHE 26 -3.250 -9.265 6.524 213 HE2 PHE 26 HE2 PHE 26 -1.903 -5.265 5.921 214 HZ PHE 26 HZ PHE 26 -2.862 -6.993 7.390 215 H ALA 27 HN ALA 27 -4.693 -7.147 2.622 216 HA ALA 27 HA ALA 27 -6.099 -9.710 2.397 217 HB1 ALA 27 HB1 ALA 27 -5.685 -8.956 4.699 218 HB2 ALA 27 HB2 ALA 27 -7.411 -9.020 4.336 219 HB3 ALA 27 HB3 ALA 27 -6.572 -7.469 4.362 220 H TRP 28 HN TRP 28 -5.825 -7.401 0.547 221 HA TRP 28 HA TRP 28 -6.961 -6.115 -0.897 222 HB2 TRP 28 HB2 TRP 28 -9.097 -8.180 -0.516 223 HB3 TRP 28 HB1 TRP 28 -8.850 -7.165 -1.919 224 HD1 TRP 28 HD1 TRP 28 -6.549 -7.673 -3.376 225 HE1 TRP 28 HE1 TRP 28 -5.357 -9.915 -3.802 226 HE3 TRP 28 HE3 TRP 28 -8.600 -10.420 0.418 227 HZ2 TRP 28 HZ2 TRP 28 -5.297 -12.505 -2.679 228 HZ3 TRP 28 HZ3 TRP 28 -7.925 -12.770 0.671 229 HH2 TRP 28 HH2 TRP 28 -6.309 -13.790 -0.846 230 H ASN 29 HN ASN 29 -7.332 -4.237 0.128 231 HA ASN 29 HA ASN 29 -9.480 -3.920 2.014 232 HB2 ASN 29 HB2 ASN 29 -7.780 -1.790 0.690 233 HB3 ASN 29 HB1 ASN 29 -8.873 -1.543 2.034 234 HD21 ASN 29 HD21 ASN 29 -8.266 -2.104 4.074 235 HD22 ASN 29 HD22 ASN 29 -6.670 -2.626 4.478 236 H VAL 30 HN VAL 30 -11.508 -3.803 1.419 237 HA VAL 30 HA VAL 30 -12.258 -2.859 -1.223 238 HB VAL 30 HB VAL 30 -14.115 -3.598 1.040 239 HG11 VAL 30 HG11 VAL 30 -15.675 -4.126 -0.784 240 HG12 VAL 30 HG12 VAL 30 -14.471 -3.577 -1.950 241 HG13 VAL 30 HG13 VAL 30 -15.165 -2.438 -0.796 242 HG21 VAL 30 HG21 VAL 30 -12.865 -5.443 -0.987 243 HG22 VAL 30 HG22 VAL 30 -14.221 -5.868 0.058 244 HG23 VAL 30 HG23 VAL 30 -12.651 -5.481 0.764 245 H CYS 31 HN CYS 31 -11.917 -0.707 -1.293 246 HA CYS 31 HA CYS 31 -12.962 0.925 0.895 247 HB2 CYS 31 HB2 CYS 31 -11.556 2.739 -0.194 248 HB3 CYS 31 HB1 CYS 31 -10.691 1.410 0.565 249 HG CYS 31 HG CYS 31 -11.222 1.767 -2.799 250 H VAL 32 HN VAL 32 -14.709 2.033 0.667 251 HA VAL 32 HA VAL 32 -15.500 3.014 -1.989 252 HB VAL 32 HB VAL 32 -17.844 2.500 -1.588 253 HG11 VAL 32 HG11 VAL 32 -16.537 0.815 -2.756 254 HG12 VAL 32 HG12 VAL 32 -17.797 0.064 -1.778 255 HG13 VAL 32 HG13 VAL 32 -16.124 0.052 -1.220 256 HG21 VAL 32 HG21 VAL 32 -16.919 1.175 0.956 257 HG22 VAL 32 HG22 VAL 32 -18.558 1.120 0.304 258 HG23 VAL 32 HG23 VAL 32 -17.870 2.656 0.831 259 H TYR 33 HN TYR 33 -17.153 4.810 -1.746 260 HA TYR 33 HA TYR 33 -16.267 6.473 0.480 261 HB2 TYR 33 HB2 TYR 33 -18.025 7.325 -1.825 262 HB3 TYR 33 HB1 TYR 33 -17.067 8.350 -0.757 263 HD1 TYR 33 HD1 TYR 33 -17.151 7.070 -3.964 264 HD2 TYR 33 HD2 TYR 33 -14.464 7.547 -0.700 265 HE1 TYR 33 HE1 TYR 33 -15.249 6.876 -5.506 266 HE2 TYR 33 HE2 TYR 33 -12.557 7.361 -2.233 267 HH TYR 33 HH TYR 33 -12.099 6.334 -4.463 268 H ARG 34 HN ARG 34 -17.349 5.662 2.179 269 HA ARG 34 HA ARG 34 -20.273 5.471 2.029 270 HB2 ARG 34 HB2 ARG 34 -19.137 3.420 2.683 271 HB3 ARG 34 HB1 ARG 34 -18.271 4.268 3.955 272 HG2 ARG 34 HG2 ARG 34 -20.269 4.582 5.207 273 HG3 ARG 34 HG1 ARG 34 -21.260 3.974 3.877 274 HD2 ARG 34 HD2 ARG 34 -20.179 1.788 4.088 275 HD3 ARG 34 HD1 ARG 34 -19.205 2.402 5.422 276 HE ARG 34 HE ARG 34 -21.585 2.850 6.414 277 HH11 ARG 34 HH11 ARG 34 -20.582 0.089 4.513 278 HH12 ARG 34 HH12 ARG 34 -21.605 -1.027 5.359 279 HH21 ARG 34 HH21 ARG 34 -22.949 1.382 7.523 280 HH22 ARG 34 HH22 ARG 34 -22.949 -0.294 7.071 281 H ASN 35 HN ASN 35 -21.383 7.071 2.894 282 HA ASN 35 HA ASN 35 -21.974 8.888 4.117 283 HB2 ASN 35 HB2 ASN 35 -21.444 7.303 6.019 284 HB3 ASN 35 HB1 ASN 35 -19.849 8.035 6.100 285 HD21 ASN 35 HD21 ASN 35 -19.603 10.009 7.058 286 HD22 ASN 35 HD22 ASN 35 -20.881 10.825 7.894 287 H GLY 36 HN GLY 36 -19.616 8.809 2.206 288 HA2 GLY 36 HA2 GLY 36 -18.648 10.748 1.249 289 HA3 GLY 36 HA1 GLY 36 -18.711 11.526 2.821 290 H VAL 37 HN VAL 37 -17.563 8.851 3.898 291 HA VAL 37 HA VAL 37 -14.773 9.612 3.356 292 HB VAL 37 HB VAL 37 -15.350 9.813 5.697 293 HG11 VAL 37 HG11 VAL 37 -17.202 8.265 5.842 294 HG12 VAL 37 HG12 VAL 37 -15.985 7.864 7.054 295 HG13 VAL 37 HG13 VAL 37 -16.114 6.903 5.580 296 HG21 VAL 37 HG21 VAL 37 -13.636 8.371 6.689 297 HG22 VAL 37 HG22 VAL 37 -13.089 9.109 5.183 298 HG23 VAL 37 HG23 VAL 37 -13.592 7.419 5.205 299 H ARG 38 HN ARG 38 -13.331 8.220 2.648 300 HA ARG 38 HA ARG 38 -14.235 5.891 1.288 301 HB2 ARG 38 HB2 ARG 38 -12.373 7.307 0.485 302 HB3 ARG 38 HB1 ARG 38 -11.420 6.817 1.878 303 HG2 ARG 38 HG2 ARG 38 -11.628 4.451 1.069 304 HG3 ARG 38 HG1 ARG 38 -12.361 5.093 -0.403 305 HD2 ARG 38 HD2 ARG 38 -10.017 4.717 -0.790 306 HD3 ARG 38 HD1 ARG 38 -10.327 6.452 -0.769 307 HE ARG 38 HE ARG 38 -9.602 5.659 1.815 308 HH11 ARG 38 HH11 ARG 38 -8.168 5.899 -1.365 309 HH12 ARG 38 HH12 ARG 38 -6.572 6.198 -0.757 310 HH21 ARG 38 HH21 ARG 38 -7.507 6.049 2.616 311 HH22 ARG 38 HH22 ARG 38 -6.195 6.288 1.504 312 H VAL 39 HN VAL 39 -14.929 4.261 2.498 313 HA VAL 39 HA VAL 39 -13.436 3.477 4.888 314 HB VAL 39 HB VAL 39 -15.913 3.903 4.986 315 HG11 VAL 39 HG11 VAL 39 -16.043 1.343 3.433 316 HG12 VAL 39 HG12 VAL 39 -16.523 2.939 2.863 317 HG13 VAL 39 HG13 VAL 39 -17.414 2.167 4.175 318 HG21 VAL 39 HG21 VAL 39 -16.417 1.973 6.398 319 HG22 VAL 39 HG22 VAL 39 -14.811 2.627 6.725 320 HG23 VAL 39 HG23 VAL 39 -14.985 1.151 5.775 321 H CYS 40 HN CYS 40 -12.427 1.522 5.056 322 HA CYS 40 HA CYS 40 -12.619 -0.247 2.721 323 HB2 CYS 40 HB2 CYS 40 -10.181 -0.733 3.067 324 HB3 CYS 40 HB1 CYS 40 -10.532 0.888 2.497 325 HG CYS 40 HG CYS 40 -10.451 0.893 5.782 326 H HIS 41 HN HIS 41 -12.672 -2.394 3.087 327 HA HIS 41 HA HIS 41 -12.086 -3.382 5.777 328 HB2 HIS 41 HB2 HIS 41 -14.047 -4.926 5.638 329 HB3 HIS 41 HB1 HIS 41 -14.478 -3.237 5.833 330 HD1 HIS 41 HD1 HIS 41 -15.135 -6.167 3.795 331 HD2 HIS 41 HD2 HIS 41 -15.420 -2.048 3.307 332 HE1 HIS 41 HE1 HIS 41 -16.666 -5.821 1.837 333 HE2 HIS 41 HE2 HIS 41 -16.959 -3.328 1.675 334 H ARG 42 HN ARG 42 -11.959 -5.821 5.755 335 HA ARG 42 HA ARG 42 -10.101 -6.487 3.672 336 HB2 ARG 42 HB2 ARG 42 -9.637 -8.484 4.979 337 HB3 ARG 42 HB1 ARG 42 -9.629 -7.067 6.013 338 HG2 ARG 42 HG2 ARG 42 -11.957 -8.944 5.764 339 HG3 ARG 42 HG1 ARG 42 -10.711 -9.092 6.998 340 HD2 ARG 42 HD2 ARG 42 -12.801 -6.973 6.642 341 HD3 ARG 42 HD1 ARG 42 -12.474 -7.972 8.052 342 HE ARG 42 HE ARG 42 -10.204 -6.498 7.757 343 HH11 ARG 42 HH11 ARG 42 -13.611 -5.747 8.090 344 HH12 ARG 42 HH12 ARG 42 -13.331 -4.189 8.804 345 HH21 ARG 42 HH21 ARG 42 -9.830 -4.439 8.689 346 HH22 ARG 42 HH22 ARG 42 -11.179 -3.442 9.139 347 H ARG 43 HN ARG 43 -10.388 -7.820 2.002 348 HA ARG 43 HA ARG 43 -13.098 -8.858 1.576 349 HB2 ARG 43 HB2 ARG 43 -11.954 -7.262 -0.069 350 HB3 ARG 43 HB1 ARG 43 -10.907 -8.609 -0.475 351 HG2 ARG 43 HG2 ARG 43 -12.863 -9.913 -1.155 352 HG3 ARG 43 HG1 ARG 43 -13.897 -8.533 -0.782 353 HD2 ARG 43 HD2 ARG 43 -12.697 -7.193 -2.446 354 HD3 ARG 43 HD1 ARG 43 -11.675 -8.579 -2.823 355 HE ARG 43 HE ARG 43 -14.439 -9.201 -3.110 356 HH11 ARG 43 HH11 ARG 43 -11.758 -7.598 -4.696 357 HH12 ARG 43 HH12 ARG 43 -12.397 -7.839 -6.290 358 HH21 ARG 43 HH21 ARG 43 -15.277 -9.522 -5.207 359 HH22 ARG 43 HH22 ARG 43 -14.397 -8.935 -6.582 360 H ALA 44 HN ALA 44 -13.405 -10.979 0.841 361 HA ALA 44 HA ALA 44 -11.085 -12.767 1.143 362 HB1 ALA 44 HB1 ALA 44 -13.974 -13.379 1.765 363 HB2 ALA 44 HB2 ALA 44 -12.697 -13.096 2.948 364 HB3 ALA 44 HB3 ALA 44 -12.626 -14.510 1.897 365 H ASN 45 HN ASN 45 -10.470 -13.128 -0.910 366 HA ASN 45 HA ASN 45 -12.418 -13.396 -3.023 367 HB2 ASN 45 HB2 ASN 45 -9.406 -13.559 -2.983 368 HB3 ASN 45 HB1 ASN 45 -10.352 -13.893 -4.429 369 HD21 ASN 45 HD21 ASN 45 -8.404 -11.811 -3.986 370 HD22 ASN 45 HD22 ASN 45 -9.224 -10.310 -4.240 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 4.714 7.459 29.204 2 H2 ARG 1 HT2 ARG 1 4.395 7.197 27.568 3 H3 ARG 1 HT3 ARG 1 5.254 6.044 28.455 4 HA ARG 1 HA ARG 1 3.351 5.585 29.813 5 HB2 ARG 1 HB2 ARG 1 2.012 7.639 28.053 6 HB3 ARG 1 HB1 ARG 1 1.141 6.534 29.105 7 HG2 ARG 1 HG2 ARG 1 2.331 7.486 31.044 8 HG3 ARG 1 HG1 ARG 1 3.117 8.636 29.963 9 HD2 ARG 1 HD2 ARG 1 0.132 8.381 30.284 10 HD3 ARG 1 HD1 ARG 1 1.124 9.537 31.167 11 HE ARG 1 HE ARG 1 1.735 10.018 28.559 12 HH11 ARG 1 HH11 ARG 1 -1.268 9.867 30.353 13 HH12 ARG 1 HH12 ARG 1 -2.055 11.064 29.378 14 HH21 ARG 1 HH21 ARG 1 0.701 11.608 27.285 15 HH22 ARG 1 HH22 ARG 1 -0.939 12.057 27.637 16 H VAL 2 HN VAL 2 3.678 6.037 26.344 17 HA VAL 2 HA VAL 2 2.193 3.558 25.875 18 HB VAL 2 HB VAL 2 3.412 5.413 23.820 19 HG11 VAL 2 HG11 VAL 2 1.908 4.255 22.258 20 HG12 VAL 2 HG12 VAL 2 1.389 3.190 23.562 21 HG13 VAL 2 HG13 VAL 2 3.062 3.151 23.005 22 HG21 VAL 2 HG21 VAL 2 1.701 6.585 25.113 23 HG22 VAL 2 HG22 VAL 2 0.560 5.281 24.793 24 HG23 VAL 2 HG23 VAL 2 1.155 6.277 23.465 25 H GLN 3 HN GLN 3 3.201 1.692 25.451 26 HA GLN 3 HA GLN 3 6.085 1.672 25.635 27 HB2 GLN 3 HB2 GLN 3 5.864 -0.788 25.760 28 HB3 GLN 3 HB1 GLN 3 4.924 0.047 26.979 29 HG2 GLN 3 HG2 GLN 3 3.782 -1.058 24.425 30 HG3 GLN 3 HG1 GLN 3 3.799 -1.916 25.963 31 HE21 GLN 3 HE21 GLN 3 2.487 -1.157 27.656 32 HE22 GLN 3 HE22 GLN 3 1.138 -0.119 27.352 33 H GLY 4 HN GLY 4 7.255 1.981 23.913 34 HA2 GLY 4 HA2 GLY 4 6.139 1.621 21.274 35 HA3 GLY 4 HA1 GLY 4 7.707 2.307 21.661 36 H ARG 5 HN ARG 5 6.855 -0.766 22.991 37 HA ARG 5 HA ARG 5 8.951 -2.052 21.504 38 HB2 ARG 5 HB2 ARG 5 8.260 -4.084 22.799 39 HB3 ARG 5 HB1 ARG 5 8.715 -2.707 23.790 40 HG2 ARG 5 HG2 ARG 5 6.456 -2.241 24.335 41 HG3 ARG 5 HG1 ARG 5 5.863 -3.378 23.123 42 HD2 ARG 5 HD2 ARG 5 6.784 -5.231 24.360 43 HD3 ARG 5 HD1 ARG 5 7.507 -4.135 25.535 44 HE ARG 5 HE ARG 5 5.262 -3.577 26.265 45 HH11 ARG 5 HH11 ARG 5 5.575 -6.407 24.226 46 HH12 ARG 5 HH12 ARG 5 4.128 -7.151 24.822 47 HH21 ARG 5 HH21 ARG 5 3.353 -4.563 27.051 48 HH22 ARG 5 HH22 ARG 5 2.861 -6.101 26.416 49 H TRP 6 HN TRP 6 5.438 -2.050 21.512 50 HA TRP 6 HA TRP 6 5.467 -3.974 19.288 51 HB2 TRP 6 HB2 TRP 6 3.195 -4.563 19.889 52 HB3 TRP 6 HB1 TRP 6 4.208 -4.660 21.329 53 HD1 TRP 6 HD1 TRP 6 3.771 -2.871 23.259 54 HE1 TRP 6 HE1 TRP 6 1.782 -1.317 23.765 55 HE3 TRP 6 HE3 TRP 6 1.338 -3.174 18.772 56 HZ2 TRP 6 HZ2 TRP 6 -0.511 -0.358 22.443 57 HZ3 TRP 6 HZ3 TRP 6 -0.749 -1.908 18.477 58 HH2 TRP 6 HH2 TRP 6 -1.653 -0.529 20.275 59 H LYS 7 HN LYS 7 4.719 -0.748 20.200 60 HA LYS 7 HA LYS 7 2.621 -0.213 18.398 61 HB2 LYS 7 HB2 LYS 7 3.139 1.183 20.380 62 HB3 LYS 7 HB1 LYS 7 4.604 1.738 19.585 63 HG2 LYS 7 HG2 LYS 7 2.815 3.386 19.425 64 HG3 LYS 7 HG1 LYS 7 3.282 2.787 17.832 65 HD2 LYS 7 HD2 LYS 7 1.357 1.227 17.903 66 HD3 LYS 7 HD1 LYS 7 0.872 1.941 19.441 67 HE2 LYS 7 HE2 LYS 7 1.146 3.458 16.848 68 HE3 LYS 7 HE1 LYS 7 -0.372 2.831 17.484 69 HZ1 LYS 7 HZ1 LYS 7 1.362 4.852 18.798 70 HZ2 LYS 7 HZ2 LYS 7 -0.075 4.231 19.440 71 HZ3 LYS 7 HZ3 LYS 7 -0.110 5.154 18.024 72 H VAL 8 HN VAL 8 5.999 -0.516 17.940 73 HA VAL 8 HA VAL 8 6.405 1.099 15.688 74 HB VAL 8 HB VAL 8 7.747 -1.560 16.190 75 HG11 VAL 8 HG11 VAL 8 8.707 0.937 14.800 76 HG12 VAL 8 HG12 VAL 8 8.211 -0.562 14.014 77 HG13 VAL 8 HG13 VAL 8 9.643 -0.537 15.042 78 HG21 VAL 8 HG21 VAL 8 8.444 1.140 17.331 79 HG22 VAL 8 HG22 VAL 8 9.416 -0.321 17.482 80 HG23 VAL 8 HG23 VAL 8 7.822 -0.243 18.232 81 H ARG 9 HN ARG 9 5.010 -2.096 16.047 82 HA ARG 9 HA ARG 9 4.961 -2.893 13.354 83 HB2 ARG 9 HB2 ARG 9 2.984 -3.501 15.563 84 HB3 ARG 9 HB1 ARG 9 3.086 -4.362 14.034 85 HG2 ARG 9 HG2 ARG 9 5.280 -5.183 14.596 86 HG3 ARG 9 HG1 ARG 9 5.290 -4.227 16.080 87 HD2 ARG 9 HD2 ARG 9 3.413 -5.496 16.940 88 HD3 ARG 9 HD1 ARG 9 3.308 -6.406 15.436 89 HE ARG 9 HE ARG 9 5.880 -6.753 16.433 90 HH11 ARG 9 HH11 ARG 9 2.591 -7.506 17.356 91 HH12 ARG 9 HH12 ARG 9 3.027 -8.936 18.236 92 HH21 ARG 9 HH21 ARG 9 6.466 -8.634 17.596 93 HH22 ARG 9 HH22 ARG 9 5.238 -9.571 18.385 94 H ALA 10 HN ALA 10 2.534 -1.212 15.317 95 HA ALA 10 HA ALA 10 0.737 -0.776 13.145 96 HB1 ALA 10 HB1 ALA 10 0.859 0.580 15.837 97 HB2 ALA 10 HB2 ALA 10 -0.039 -0.892 15.462 98 HB3 ALA 10 HB3 ALA 10 -0.494 0.635 14.707 99 H SER 11 HN SER 11 3.492 0.857 14.406 100 HA SER 11 HA SER 11 3.036 3.412 13.302 101 HB2 SER 11 HB2 SER 11 4.739 2.964 15.046 102 HB3 SER 11 HB1 SER 11 5.677 2.041 13.873 103 HG SER 11 HG SER 11 5.610 4.699 14.281 104 H PHE 12 HN PHE 12 4.960 0.641 12.111 105 HA PHE 12 HA PHE 12 5.516 1.745 9.585 106 HB2 PHE 12 HB2 PHE 12 5.406 -1.085 10.598 107 HB3 PHE 12 HB1 PHE 12 5.722 -0.742 8.902 108 HD1 PHE 12 HD1 PHE 12 7.240 -1.436 11.925 109 HD2 PHE 12 HD2 PHE 12 7.582 1.171 8.586 110 HE1 PHE 12 HE1 PHE 12 9.626 -1.112 12.428 111 HE2 PHE 12 HE2 PHE 12 9.968 1.499 9.079 112 HZ PHE 12 HZ PHE 12 10.993 0.359 11.002 113 H PHE 13 HN PHE 13 2.722 0.126 10.860 114 HA PHE 13 HA PHE 13 1.427 -0.596 8.505 115 HB2 PHE 13 HB2 PHE 13 0.610 -1.404 10.609 116 HB3 PHE 13 HB1 PHE 13 0.319 0.233 11.187 117 HD1 PHE 13 HD1 PHE 13 -0.717 -2.082 8.450 118 HD2 PHE 13 HD2 PHE 13 -1.811 1.090 11.068 119 HE1 PHE 13 HE1 PHE 13 -3.031 -2.205 7.626 120 HE2 PHE 13 HE2 PHE 13 -4.128 0.972 10.247 121 HZ PHE 13 HZ PHE 13 -4.740 -0.679 8.524 122 H LYS 14 HN LYS 14 1.804 2.531 9.987 123 HA LYS 14 HA LYS 14 -0.335 3.874 8.736 124 HB2 LYS 14 HB2 LYS 14 2.352 5.070 9.431 125 HB3 LYS 14 HB1 LYS 14 0.835 5.933 9.227 126 HG2 LYS 14 HG2 LYS 14 -0.029 4.598 11.196 127 HG3 LYS 14 HG1 LYS 14 1.641 4.091 11.458 128 HD2 LYS 14 HD2 LYS 14 0.571 6.912 11.482 129 HD3 LYS 14 HD1 LYS 14 1.161 5.991 12.861 130 HE2 LYS 14 HE2 LYS 14 2.828 6.820 10.489 131 HE3 LYS 14 HE1 LYS 14 2.794 7.653 12.039 132 HZ1 LYS 14 HZ1 LYS 14 3.621 5.620 13.083 133 HZ2 LYS 14 HZ2 LYS 14 4.685 6.195 11.905 134 HZ3 LYS 14 HZ3 LYS 14 3.701 4.864 11.570 135 H GLU 15 HN GLU 15 3.027 3.380 7.796 136 HA GLU 15 HA GLU 15 2.707 4.775 5.293 137 HB2 GLU 15 HB2 GLU 15 4.986 3.066 6.311 138 HB3 GLU 15 HB1 GLU 15 5.033 4.080 4.876 139 HG2 GLU 15 HG2 GLU 15 4.733 6.064 6.244 140 HG3 GLU 15 HG1 GLU 15 4.625 5.064 7.692 141 H ALA 16 HN ALA 16 2.637 1.481 6.443 142 HA ALA 16 HA ALA 16 2.797 0.164 3.960 143 HB1 ALA 16 HB1 ALA 16 1.357 -0.753 6.444 144 HB2 ALA 16 HB2 ALA 16 3.077 -0.969 6.129 145 HB3 ALA 16 HB3 ALA 16 1.886 -1.767 5.103 146 H ALA 17 HN ALA 17 0.060 1.448 5.795 147 HA ALA 17 HA ALA 17 -1.920 0.552 3.947 148 HB1 ALA 17 HB1 ALA 17 -3.441 2.011 5.176 149 HB2 ALA 17 HB2 ALA 17 -2.072 2.754 6.002 150 HB3 ALA 17 HB3 ALA 17 -2.454 1.055 6.281 151 H ALA 18 HN ALA 18 0.195 3.277 4.124 152 HA ALA 18 HA ALA 18 -1.247 4.863 2.200 153 HB1 ALA 18 HB1 ALA 18 1.544 5.175 3.295 154 HB2 ALA 18 HB2 ALA 18 0.088 5.949 3.922 155 HB3 ALA 18 HB3 ALA 18 0.685 6.362 2.315 156 H LYS 19 HN LYS 19 0.795 2.208 2.071 157 HA LYS 19 HA LYS 19 1.981 2.801 -0.506 158 HB2 LYS 19 HB2 LYS 19 3.191 1.509 1.262 159 HB3 LYS 19 HB1 LYS 19 2.012 0.219 1.076 160 HG2 LYS 19 HG2 LYS 19 2.717 -0.087 -1.246 161 HG3 LYS 19 HG1 LYS 19 3.901 1.206 -1.052 162 HD2 LYS 19 HD2 LYS 19 5.086 -0.066 0.614 163 HD3 LYS 19 HD1 LYS 19 3.846 -1.322 0.591 164 HE2 LYS 19 HE2 LYS 19 5.581 -0.552 -1.753 165 HE3 LYS 19 HE1 LYS 19 5.867 -1.931 -0.696 166 HZ1 LYS 19 HZ1 LYS 19 3.462 -1.528 -2.388 167 HZ2 LYS 19 HZ2 LYS 19 3.742 -2.851 -1.376 168 HZ3 LYS 19 HZ3 LYS 19 4.734 -2.592 -2.720 169 H GLU 20 HN GLU 20 -1.005 2.363 0.190 170 HA GLU 20 HA GLU 20 -1.894 0.043 -1.151 171 HB2 GLU 20 HB2 GLU 20 -4.103 1.032 -1.006 172 HB3 GLU 20 HB1 GLU 20 -3.238 1.280 0.505 173 HG2 GLU 20 HG2 GLU 20 -2.951 3.544 0.123 174 HG3 GLU 20 HG1 GLU 20 -3.209 3.385 -1.615 175 H ALA 21 HN ALA 21 -0.306 2.511 -2.543 176 HA ALA 21 HA ALA 21 -1.933 3.183 -4.758 177 HB1 ALA 21 HB1 ALA 21 0.107 4.065 -5.757 178 HB2 ALA 21 HB2 ALA 21 1.073 3.246 -4.529 179 HB3 ALA 21 HB3 ALA 21 -0.027 4.544 -4.065 180 H ALA 22 HN ALA 22 -0.252 0.347 -3.944 181 HA ALA 22 HA ALA 22 -0.242 -0.612 -6.702 182 HB1 ALA 22 HB1 ALA 22 1.068 -2.499 -5.761 183 HB2 ALA 22 HB2 ALA 22 1.000 -1.706 -4.185 184 HB3 ALA 22 HB3 ALA 22 1.830 -0.926 -5.530 185 H ALA 23 HN ALA 23 -2.607 -0.174 -4.912 186 HA ALA 23 HA ALA 23 -3.611 -2.421 -3.691 187 HB1 ALA 23 HB1 ALA 23 -4.562 -0.152 -3.538 188 HB2 ALA 23 HB2 ALA 23 -5.776 -1.402 -3.816 189 HB3 ALA 23 HB3 ALA 23 -5.254 -0.369 -5.146 190 H LYS 24 HN LYS 24 -3.194 -2.026 -7.048 191 HA LYS 24 HA LYS 24 -5.230 -3.528 -8.164 192 HB2 LYS 24 HB2 LYS 24 -2.313 -3.568 -8.961 193 HB3 LYS 24 HB1 LYS 24 -3.668 -4.044 -9.974 194 HG2 LYS 24 HG2 LYS 24 -4.507 -1.753 -9.932 195 HG3 LYS 24 HG1 LYS 24 -3.155 -1.276 -8.905 196 HD2 LYS 24 HD2 LYS 24 -1.596 -1.974 -10.691 197 HD3 LYS 24 HD1 LYS 24 -2.978 -2.350 -11.718 198 HE2 LYS 24 HE2 LYS 24 -2.310 0.360 -10.580 199 HE3 LYS 24 HE1 LYS 24 -2.027 -0.157 -12.240 200 HZ1 LYS 24 HZ1 LYS 24 -4.664 0.146 -10.911 201 HZ2 LYS 24 HZ2 LYS 24 -4.444 -0.476 -12.463 202 HZ3 LYS 24 HZ3 LYS 24 -4.030 1.127 -12.133 203 H GLY 25 HN GLY 25 -2.208 -4.636 -6.639 204 HA2 GLY 25 HA2 GLY 25 -3.570 -7.052 -5.846 205 HA3 GLY 25 HA1 GLY 25 -2.252 -7.321 -6.972 206 H PHE 26 HN PHE 26 -1.940 -4.697 -4.818 207 HA PHE 26 HA PHE 26 -0.229 -6.312 -3.050 208 HB2 PHE 26 HB2 PHE 26 0.230 -3.480 -4.022 209 HB3 PHE 26 HB1 PHE 26 1.140 -4.233 -2.713 210 HD1 PHE 26 HD1 PHE 26 2.914 -5.720 -3.129 211 HD2 PHE 26 HD2 PHE 26 0.420 -4.439 -6.328 212 HE1 PHE 26 HE1 PHE 26 4.497 -6.681 -4.745 213 HE2 PHE 26 HE2 PHE 26 2.001 -5.397 -7.950 214 HZ PHE 26 HZ PHE 26 4.043 -6.520 -7.158 215 H ALA 27 HN ALA 27 -3.028 -4.779 -3.153 216 HA ALA 27 HA ALA 27 -3.363 -4.567 -0.361 217 HB1 ALA 27 HB1 ALA 27 -3.650 -2.160 -0.116 218 HB2 ALA 27 HB2 ALA 27 -3.191 -1.915 -1.800 219 HB3 ALA 27 HB3 ALA 27 -2.008 -2.530 -0.646 220 H TRP 28 HN TRP 28 -4.940 -5.996 -1.600 221 HA TRP 28 HA TRP 28 -7.030 -4.639 -3.052 222 HB2 TRP 28 HB2 TRP 28 -6.042 -7.151 -3.133 223 HB3 TRP 28 HB1 TRP 28 -7.478 -7.403 -2.154 224 HD1 TRP 28 HD1 TRP 28 -6.436 -6.174 -5.644 225 HE1 TRP 28 HE1 TRP 28 -8.447 -6.433 -7.238 226 HE3 TRP 28 HE3 TRP 28 -9.972 -7.607 -2.253 227 HZ2 TRP 28 HZ2 TRP 28 -11.173 -7.164 -7.065 228 HZ3 TRP 28 HZ3 TRP 28 -12.256 -8.071 -3.041 229 HH2 TRP 28 HH2 TRP 28 -12.841 -7.849 -5.400 230 H ASN 29 HN ASN 29 -6.908 -3.499 -0.664 231 HA ASN 29 HA ASN 29 -8.812 -4.540 1.189 232 HB2 ASN 29 HB2 ASN 29 -7.838 -1.687 0.866 233 HB3 ASN 29 HB1 ASN 29 -8.716 -2.329 2.248 234 HD21 ASN 29 HD21 ASN 29 -7.669 -3.674 3.703 235 HD22 ASN 29 HD22 ASN 29 -5.949 -3.820 3.746 236 H VAL 30 HN VAL 30 -10.957 -4.058 1.384 237 HA VAL 30 HA VAL 30 -12.212 -3.152 -1.078 238 HB VAL 30 HB VAL 30 -13.773 -4.007 1.326 239 HG11 VAL 30 HG11 VAL 30 -14.952 -3.212 -0.643 240 HG12 VAL 30 HG12 VAL 30 -15.274 -4.924 -0.371 241 HG13 VAL 30 HG13 VAL 30 -14.147 -4.429 -1.634 242 HG21 VAL 30 HG21 VAL 30 -12.322 -5.916 -0.510 243 HG22 VAL 30 HG22 VAL 30 -13.560 -6.367 0.662 244 HG23 VAL 30 HG23 VAL 30 -12.032 -5.687 1.216 245 H CYS 31 HN CYS 31 -12.129 -0.973 -1.129 246 HA CYS 31 HA CYS 31 -13.122 0.492 1.220 247 HB2 CYS 31 HB2 CYS 31 -11.892 2.446 0.255 248 HB3 CYS 31 HB1 CYS 31 -10.860 1.108 0.740 249 HG CYS 31 HG CYS 31 -11.678 0.704 -2.407 250 H VAL 32 HN VAL 32 -14.832 1.857 1.059 251 HA VAL 32 HA VAL 32 -15.719 2.606 -1.645 252 HB VAL 32 HB VAL 32 -18.052 2.214 -1.176 253 HG11 VAL 32 HG11 VAL 32 -16.854 0.348 -2.149 254 HG12 VAL 32 HG12 VAL 32 -18.126 -0.228 -1.073 255 HG13 VAL 32 HG13 VAL 32 -16.443 -0.253 -0.542 256 HG21 VAL 32 HG21 VAL 32 -18.834 1.124 0.856 257 HG22 VAL 32 HG22 VAL 32 -18.035 2.656 1.212 258 HG23 VAL 32 HG23 VAL 32 -17.191 1.132 1.500 259 H TYR 33 HN TYR 33 -17.163 4.490 -1.604 260 HA TYR 33 HA TYR 33 -16.306 6.318 0.490 261 HB2 TYR 33 HB2 TYR 33 -17.876 6.901 -2.030 262 HB3 TYR 33 HB1 TYR 33 -17.186 8.095 -0.935 263 HD1 TYR 33 HD1 TYR 33 -16.698 6.717 -4.015 264 HD2 TYR 33 HD2 TYR 33 -14.541 7.434 -0.420 265 HE1 TYR 33 HE1 TYR 33 -14.589 6.645 -5.271 266 HE2 TYR 33 HE2 TYR 33 -12.429 7.367 -1.665 267 HH TYR 33 HH TYR 33 -12.258 7.513 -5.026 268 H ARG 34 HN ARG 34 -17.445 5.784 2.227 269 HA ARG 34 HA ARG 34 -20.351 5.517 2.032 270 HB2 ARG 34 HB2 ARG 34 -19.162 3.696 3.122 271 HB3 ARG 34 HB1 ARG 34 -18.378 4.822 4.215 272 HG2 ARG 34 HG2 ARG 34 -20.453 5.300 5.305 273 HG3 ARG 34 HG1 ARG 34 -21.337 4.334 4.126 274 HD2 ARG 34 HD2 ARG 34 -20.159 2.336 4.866 275 HD3 ARG 34 HD1 ARG 34 -19.243 3.297 6.022 276 HE ARG 34 HE ARG 34 -21.640 3.825 6.898 277 HH11 ARG 34 HH11 ARG 34 -20.502 0.764 5.640 278 HH12 ARG 34 HH12 ARG 34 -21.520 -0.186 6.674 279 HH21 ARG 34 HH21 ARG 34 -22.989 2.574 8.254 280 HH22 ARG 34 HH22 ARG 34 -22.935 0.843 8.157 281 H ASN 35 HN ASN 35 -21.143 7.545 2.004 282 HA ASN 35 HA ASN 35 -21.800 9.589 2.730 283 HB2 ASN 35 HB2 ASN 35 -22.260 8.223 4.832 284 HB3 ASN 35 HB1 ASN 35 -20.729 8.824 5.453 285 HD21 ASN 35 HD21 ASN 35 -20.536 10.987 6.001 286 HD22 ASN 35 HD22 ASN 35 -21.923 12.008 6.232 287 H GLY 36 HN GLY 36 -19.358 9.418 1.467 288 HA2 GLY 36 HA2 GLY 36 -17.753 11.026 0.957 289 HA3 GLY 36 HA1 GLY 36 -18.114 11.836 2.471 290 H VAL 37 HN VAL 37 -17.757 9.051 3.776 291 HA VAL 37 HA VAL 37 -14.862 9.369 4.106 292 HB VAL 37 HB VAL 37 -16.739 7.659 5.730 293 HG11 VAL 37 HG11 VAL 37 -14.941 7.673 7.392 294 HG12 VAL 37 HG12 VAL 37 -13.934 8.605 6.285 295 HG13 VAL 37 HG13 VAL 37 -14.416 6.961 5.866 296 HG21 VAL 37 HG21 VAL 37 -15.729 10.440 6.312 297 HG22 VAL 37 HG22 VAL 37 -16.672 9.439 7.414 298 HG23 VAL 37 HG23 VAL 37 -17.387 10.003 5.905 299 H ARG 38 HN ARG 38 -13.473 7.973 3.370 300 HA ARG 38 HA ARG 38 -14.402 5.794 1.724 301 HB2 ARG 38 HB2 ARG 38 -12.615 7.293 0.950 302 HB3 ARG 38 HB1 ARG 38 -11.607 6.788 2.297 303 HG2 ARG 38 HG2 ARG 38 -11.597 4.500 1.411 304 HG3 ARG 38 HG1 ARG 38 -12.571 5.043 0.043 305 HD2 ARG 38 HD2 ARG 38 -10.797 6.602 -0.596 306 HD3 ARG 38 HD1 ARG 38 -9.827 6.056 0.769 307 HE ARG 38 HE ARG 38 -10.641 4.217 -1.380 308 HH11 ARG 38 HH11 ARG 38 -8.174 5.666 0.633 309 HH12 ARG 38 HH12 ARG 38 -6.906 4.621 0.059 310 HH21 ARG 38 HH21 ARG 38 -8.981 2.849 -2.144 311 HH22 ARG 38 HH22 ARG 38 -7.365 3.035 -1.526 312 H VAL 39 HN VAL 39 -15.080 4.115 2.931 313 HA VAL 39 HA VAL 39 -13.535 3.260 5.231 314 HB VAL 39 HB VAL 39 -15.411 2.017 5.873 315 HG11 VAL 39 HG11 VAL 39 -17.298 3.579 5.675 316 HG12 VAL 39 HG12 VAL 39 -16.399 4.439 4.423 317 HG13 VAL 39 HG13 VAL 39 -15.778 4.385 6.076 318 HG21 VAL 39 HG21 VAL 39 -15.863 0.804 3.818 319 HG22 VAL 39 HG22 VAL 39 -16.493 2.277 3.079 320 HG23 VAL 39 HG23 VAL 39 -17.344 1.539 4.436 321 H CYS 40 HN CYS 40 -12.418 1.384 5.342 322 HA CYS 40 HA CYS 40 -12.513 -0.355 2.982 323 HB2 CYS 40 HB2 CYS 40 -10.064 -0.753 3.291 324 HB3 CYS 40 HB1 CYS 40 -10.476 0.882 2.797 325 HG CYS 40 HG CYS 40 -8.455 1.324 4.506 326 H HIS 41 HN HIS 41 -12.839 -2.416 3.381 327 HA HIS 41 HA HIS 41 -12.448 -3.368 6.136 328 HB2 HIS 41 HB2 HIS 41 -14.424 -4.835 5.852 329 HB3 HIS 41 HB1 HIS 41 -14.824 -3.128 5.862 330 HD1 HIS 41 HD1 HIS 41 -15.071 -6.207 3.851 331 HD2 HIS 41 HD2 HIS 41 -15.642 -2.126 3.278 332 HE1 HIS 41 HE1 HIS 41 -16.428 -5.998 1.747 333 HE2 HIS 41 HE2 HIS 41 -16.878 -3.534 1.498 334 H ARG 42 HN ARG 42 -12.362 -5.727 6.308 335 HA ARG 42 HA ARG 42 -10.439 -6.837 4.569 336 HB2 ARG 42 HB2 ARG 42 -10.728 -8.891 5.815 337 HB3 ARG 42 HB1 ARG 42 -10.768 -7.542 6.940 338 HG2 ARG 42 HG2 ARG 42 -13.194 -7.673 7.038 339 HG3 ARG 42 HG1 ARG 42 -13.178 -8.995 5.871 340 HD2 ARG 42 HD2 ARG 42 -11.877 -10.353 7.443 341 HD3 ARG 42 HD1 ARG 42 -11.917 -9.034 8.611 342 HE ARG 42 HE ARG 42 -14.548 -9.632 7.906 343 HH11 ARG 42 HH11 ARG 42 -11.863 -11.159 9.553 344 HH12 ARG 42 HH12 ARG 42 -12.881 -12.119 10.582 345 HH21 ARG 42 HH21 ARG 42 -15.884 -10.903 9.256 346 HH22 ARG 42 HH22 ARG 42 -15.157 -11.984 10.403 347 H ARG 43 HN ARG 43 -10.690 -8.663 3.172 348 HA ARG 43 HA ARG 43 -12.885 -8.343 1.399 349 HB2 ARG 43 HB2 ARG 43 -10.629 -10.334 1.471 350 HB3 ARG 43 HB1 ARG 43 -11.800 -10.226 0.166 351 HG2 ARG 43 HG2 ARG 43 -11.035 -8.127 -0.509 352 HG3 ARG 43 HG1 ARG 43 -10.166 -7.859 1.002 353 HD2 ARG 43 HD2 ARG 43 -9.448 -10.073 -0.890 354 HD3 ARG 43 HD1 ARG 43 -8.781 -8.453 -1.051 355 HE ARG 43 HE ARG 43 -8.450 -9.476 1.586 356 HH11 ARG 43 HH11 ARG 43 -7.176 -9.683 -1.660 357 HH12 ARG 43 HH12 ARG 43 -5.556 -10.029 -1.142 358 HH21 ARG 43 HH21 ARG 43 -6.316 -9.899 2.283 359 HH22 ARG 43 HH22 ARG 43 -5.059 -10.133 1.110 360 H ALA 44 HN ALA 44 -14.517 -9.658 0.956 361 HA ALA 44 HA ALA 44 -14.914 -12.160 2.350 362 HB1 ALA 44 HB1 ALA 44 -15.689 -10.511 4.004 363 HB2 ALA 44 HB2 ALA 44 -17.010 -11.511 3.405 364 HB3 ALA 44 HB3 ALA 44 -16.817 -9.860 2.815 365 H ASN 45 HN ASN 45 -14.637 -12.434 -0.065 366 HA ASN 45 HA ASN 45 -16.912 -11.674 -1.686 367 HB2 ASN 45 HB2 ASN 45 -14.432 -13.273 -2.355 368 HB3 ASN 45 HB1 ASN 45 -15.676 -12.833 -3.518 369 HD21 ASN 45 HD21 ASN 45 -16.088 -10.201 -2.280 370 HD22 ASN 45 HD22 ASN 45 -14.729 -9.245 -2.754 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 4.775 29.731 -6.804 2 H2 ARG 1 HT2 ARG 1 3.114 29.836 -7.072 3 H3 ARG 1 HT3 ARG 1 3.945 28.415 -7.463 4 HA ARG 1 HA ARG 1 3.519 29.523 -4.753 5 HB2 ARG 1 HB2 ARG 1 2.432 27.059 -6.128 6 HB3 ARG 1 HB1 ARG 1 2.340 27.316 -4.396 7 HG2 ARG 1 HG2 ARG 1 0.264 28.003 -5.085 8 HG3 ARG 1 HG1 ARG 1 1.145 29.530 -5.059 9 HD2 ARG 1 HD2 ARG 1 -0.215 29.287 -7.084 10 HD3 ARG 1 HD1 ARG 1 1.504 29.389 -7.454 11 HE ARG 1 HE ARG 1 0.677 26.685 -7.203 12 HH11 ARG 1 HH11 ARG 1 0.565 29.421 -9.380 13 HH12 ARG 1 HH12 ARG 1 0.395 28.445 -10.801 14 HH21 ARG 1 HH21 ARG 1 0.477 25.394 -9.069 15 HH22 ARG 1 HH22 ARG 1 0.343 26.152 -10.624 16 H VAL 2 HN VAL 2 4.809 28.793 -3.184 17 HA VAL 2 HA VAL 2 7.074 27.146 -3.951 18 HB VAL 2 HB VAL 2 7.884 27.653 -1.619 19 HG11 VAL 2 HG11 VAL 2 8.579 28.959 -3.566 20 HG12 VAL 2 HG12 VAL 2 8.460 29.966 -2.126 21 HG13 VAL 2 HG13 VAL 2 7.191 30.025 -3.349 22 HG21 VAL 2 HG21 VAL 2 6.771 29.429 -0.369 23 HG22 VAL 2 HG22 VAL 2 5.696 28.048 -0.580 24 HG23 VAL 2 HG23 VAL 2 5.486 29.489 -1.575 25 H GLN 3 HN GLN 3 4.972 25.579 -4.142 26 HA GLN 3 HA GLN 3 4.441 24.180 -1.657 27 HB2 GLN 3 HB2 GLN 3 2.622 24.572 -3.261 28 HB3 GLN 3 HB1 GLN 3 3.492 23.665 -4.486 29 HG2 GLN 3 HG2 GLN 3 1.683 22.368 -3.485 30 HG3 GLN 3 HG1 GLN 3 3.258 21.633 -3.198 31 HE21 GLN 3 HE21 GLN 3 0.598 23.365 -1.764 32 HE22 GLN 3 HE22 GLN 3 0.995 23.004 -0.120 33 H GLY 4 HN GLY 4 4.999 22.041 -1.245 34 HA2 GLY 4 HA2 GLY 4 7.514 21.206 -2.407 35 HA3 GLY 4 HA1 GLY 4 6.682 20.454 -1.058 36 H ARG 5 HN ARG 5 5.143 21.059 -4.144 37 HA ARG 5 HA ARG 5 4.064 18.484 -4.249 38 HB2 ARG 5 HB2 ARG 5 3.070 19.074 -6.314 39 HB3 ARG 5 HB1 ARG 5 3.098 20.529 -5.335 40 HG2 ARG 5 HG2 ARG 5 5.118 19.910 -7.481 41 HG3 ARG 5 HG1 ARG 5 3.656 20.862 -7.741 42 HD2 ARG 5 HD2 ARG 5 4.461 22.403 -5.929 43 HD3 ARG 5 HD1 ARG 5 5.982 21.513 -5.938 44 HE ARG 5 HE ARG 5 5.279 22.396 -8.547 45 HH11 ARG 5 HH11 ARG 5 6.672 23.471 -5.515 46 HH12 ARG 5 HH12 ARG 5 7.530 24.796 -6.238 47 HH21 ARG 5 HH21 ARG 5 6.385 24.153 -9.487 48 HH22 ARG 5 HH22 ARG 5 7.369 25.179 -8.493 49 H TRP 6 HN TRP 6 7.135 19.619 -5.386 50 HA TRP 6 HA TRP 6 7.480 17.357 -7.167 51 HB2 TRP 6 HB2 TRP 6 9.389 19.507 -6.246 52 HB3 TRP 6 HB1 TRP 6 9.861 18.187 -7.307 53 HD1 TRP 6 HD1 TRP 6 7.122 18.294 -9.099 54 HE1 TRP 6 HE1 TRP 6 6.909 20.185 -10.832 55 HE3 TRP 6 HE3 TRP 6 10.520 21.574 -7.142 56 HZ2 TRP 6 HZ2 TRP 6 8.044 22.721 -11.311 57 HZ3 TRP 6 HZ3 TRP 6 10.899 23.706 -8.304 58 HH2 TRP 6 HH2 TRP 6 9.688 24.269 -10.346 59 H LYS 7 HN LYS 7 8.144 18.199 -3.875 60 HA LYS 7 HA LYS 7 10.110 16.145 -3.457 61 HB2 LYS 7 HB2 LYS 7 8.545 17.776 -1.452 62 HB3 LYS 7 HB1 LYS 7 9.909 16.736 -1.076 63 HG2 LYS 7 HG2 LYS 7 11.319 18.166 -2.557 64 HG3 LYS 7 HG1 LYS 7 9.942 19.260 -2.715 65 HD2 LYS 7 HD2 LYS 7 11.397 20.104 -0.997 66 HD3 LYS 7 HD1 LYS 7 9.926 19.496 -0.234 67 HE2 LYS 7 HE2 LYS 7 11.130 17.365 0.230 68 HE3 LYS 7 HE1 LYS 7 12.599 18.109 -0.393 69 HZ1 LYS 7 HZ1 LYS 7 12.425 19.784 1.348 70 HZ2 LYS 7 HZ2 LYS 7 12.510 18.229 2.007 71 HZ3 LYS 7 HZ3 LYS 7 11.029 19.041 1.945 72 H VAL 8 HN VAL 8 6.653 16.428 -3.186 73 HA VAL 8 HA VAL 8 6.227 14.233 -1.449 74 HB VAL 8 HB VAL 8 4.554 16.040 -1.920 75 HG11 VAL 8 HG11 VAL 8 4.730 16.141 -4.331 76 HG12 VAL 8 HG12 VAL 8 3.070 15.772 -3.860 77 HG13 VAL 8 HG13 VAL 8 4.121 14.493 -4.468 78 HG21 VAL 8 HG21 VAL 8 3.617 13.196 -2.260 79 HG22 VAL 8 HG22 VAL 8 2.592 14.559 -1.810 80 HG23 VAL 8 HG23 VAL 8 3.890 14.040 -0.735 81 H ARG 9 HN ARG 9 7.120 14.377 -4.741 82 HA ARG 9 HA ARG 9 5.935 12.010 -5.682 83 HB2 ARG 9 HB2 ARG 9 6.988 13.815 -7.074 84 HB3 ARG 9 HB1 ARG 9 8.557 13.191 -6.583 85 HG2 ARG 9 HG2 ARG 9 8.058 11.056 -7.615 86 HG3 ARG 9 HG1 ARG 9 6.448 11.635 -8.044 87 HD2 ARG 9 HD2 ARG 9 7.447 13.367 -9.446 88 HD3 ARG 9 HD1 ARG 9 9.054 12.788 -9.018 89 HE ARG 9 HE ARG 9 7.564 10.664 -10.092 90 HH11 ARG 9 HH11 ARG 9 9.064 13.672 -11.054 91 HH12 ARG 9 HH12 ARG 9 9.334 13.165 -12.691 92 HH21 ARG 9 HH21 ARG 9 7.910 9.984 -12.253 93 HH22 ARG 9 HH22 ARG 9 8.677 11.062 -13.374 94 H ALA 10 HN ALA 10 8.767 12.628 -3.756 95 HA ALA 10 HA ALA 10 10.046 10.129 -4.085 96 HB1 ALA 10 HB1 ALA 10 11.196 12.084 -3.169 97 HB2 ALA 10 HB2 ALA 10 11.290 10.713 -2.065 98 HB3 ALA 10 HB3 ALA 10 10.161 12.027 -1.743 99 H SER 11 HN SER 11 7.286 11.142 -2.298 100 HA SER 11 HA SER 11 7.295 9.060 -0.357 101 HB2 SER 11 HB2 SER 11 4.991 10.752 -1.354 102 HB3 SER 11 HB1 SER 11 5.011 9.793 0.126 103 HG SER 11 HG SER 11 5.527 12.128 0.300 104 H PHE 12 HN PHE 12 6.329 9.253 -3.682 105 HA PHE 12 HA PHE 12 4.484 7.091 -3.649 106 HB2 PHE 12 HB2 PHE 12 6.138 8.199 -5.922 107 HB3 PHE 12 HB1 PHE 12 4.856 7.007 -6.107 108 HD1 PHE 12 HD1 PHE 12 2.650 7.888 -4.617 109 HD2 PHE 12 HD2 PHE 12 5.518 10.254 -6.683 110 HE1 PHE 12 HE1 PHE 12 1.001 9.700 -4.821 111 HE2 PHE 12 HE2 PHE 12 3.874 12.075 -6.885 112 HZ PHE 12 HZ PHE 12 1.613 11.798 -5.951 113 H PHE 13 HN PHE 13 7.946 7.324 -3.790 114 HA PHE 13 HA PHE 13 8.505 4.696 -4.643 115 HB2 PHE 13 HB2 PHE 13 10.086 6.652 -2.979 116 HB3 PHE 13 HB1 PHE 13 10.713 5.074 -3.439 117 HD1 PHE 13 HD1 PHE 13 9.462 8.283 -4.807 118 HD2 PHE 13 HD2 PHE 13 11.683 4.727 -5.528 119 HE1 PHE 13 HE1 PHE 13 10.265 9.222 -6.934 120 HE2 PHE 13 HE2 PHE 13 12.488 5.659 -7.657 121 HZ PHE 13 HZ PHE 13 11.783 7.909 -8.364 122 H LYS 14 HN LYS 14 7.605 6.069 -1.613 123 HA LYS 14 HA LYS 14 8.254 3.763 -0.034 124 HB2 LYS 14 HB2 LYS 14 6.488 6.132 0.606 125 HB3 LYS 14 HB1 LYS 14 7.036 4.929 1.765 126 HG2 LYS 14 HG2 LYS 14 9.349 5.603 1.371 127 HG3 LYS 14 HG1 LYS 14 8.799 6.808 0.208 128 HD2 LYS 14 HD2 LYS 14 7.549 7.943 1.982 129 HD3 LYS 14 HD1 LYS 14 8.103 6.735 3.144 130 HE2 LYS 14 HE2 LYS 14 10.421 7.402 2.728 131 HE3 LYS 14 HE1 LYS 14 9.868 8.604 1.565 132 HZ1 LYS 14 HZ1 LYS 14 8.697 9.735 3.347 133 HZ2 LYS 14 HZ2 LYS 14 10.342 9.602 3.702 134 HZ3 LYS 14 HZ3 LYS 14 9.230 8.583 4.462 135 H GLU 15 HN GLU 15 5.380 5.061 -1.604 136 HA GLU 15 HA GLU 15 3.590 3.082 -0.619 137 HB2 GLU 15 HB2 GLU 15 3.426 4.755 -3.135 138 HB3 GLU 15 HB1 GLU 15 2.109 3.804 -2.465 139 HG2 GLU 15 HG2 GLU 15 3.434 6.191 -1.201 140 HG3 GLU 15 HG1 GLU 15 1.816 6.120 -1.897 141 H ALA 16 HN ALA 16 5.546 3.408 -3.541 142 HA ALA 16 HA ALA 16 4.771 0.983 -4.746 143 HB1 ALA 16 HB1 ALA 16 5.889 2.840 -5.932 144 HB2 ALA 16 HB2 ALA 16 6.683 1.285 -6.186 145 HB3 ALA 16 HB3 ALA 16 7.378 2.458 -5.069 146 H ALA 17 HN ALA 17 6.884 1.706 -2.131 147 HA ALA 17 HA ALA 17 8.401 -0.729 -2.261 148 HB1 ALA 17 HB1 ALA 17 9.327 1.293 -1.232 149 HB2 ALA 17 HB2 ALA 17 9.294 -0.056 -0.097 150 HB3 ALA 17 HB3 ALA 17 8.085 1.223 0.018 151 H ALA 18 HN ALA 18 5.284 0.076 -1.251 152 HA ALA 18 HA ALA 18 5.094 -2.100 0.677 153 HB1 ALA 18 HB1 ALA 18 3.963 0.022 1.178 154 HB2 ALA 18 HB2 ALA 18 2.822 -1.318 1.061 155 HB3 ALA 18 HB3 ALA 18 2.978 -0.170 -0.269 156 H LYS 19 HN LYS 19 5.319 -2.055 -2.463 157 HA LYS 19 HA LYS 19 3.021 -3.243 -3.532 158 HB2 LYS 19 HB2 LYS 19 4.894 -2.233 -4.827 159 HB3 LYS 19 HB1 LYS 19 5.881 -3.627 -4.422 160 HG2 LYS 19 HG2 LYS 19 4.270 -5.073 -5.595 161 HG3 LYS 19 HG1 LYS 19 3.360 -3.634 -6.059 162 HD2 LYS 19 HD2 LYS 19 5.349 -2.768 -7.213 163 HD3 LYS 19 HD1 LYS 19 6.224 -4.237 -6.785 164 HE2 LYS 19 HE2 LYS 19 5.415 -4.387 -9.058 165 HE3 LYS 19 HE1 LYS 19 4.585 -5.560 -8.041 166 HZ1 LYS 19 HZ1 LYS 19 3.071 -4.413 -9.546 167 HZ2 LYS 19 HZ2 LYS 19 3.484 -2.926 -8.856 168 HZ3 LYS 19 HZ3 LYS 19 2.685 -4.094 -7.932 169 H GLU 20 HN GLU 20 5.793 -4.595 -1.877 170 HA GLU 20 HA GLU 20 5.403 -7.301 -2.441 171 HB2 GLU 20 HB2 GLU 20 6.699 -7.715 -0.364 172 HB3 GLU 20 HB1 GLU 20 7.453 -6.547 -1.439 173 HG2 GLU 20 HG2 GLU 20 6.544 -4.729 -0.032 174 HG3 GLU 20 HG1 GLU 20 5.915 -5.948 1.076 175 H ALA 21 HN ALA 21 3.893 -5.214 -0.054 176 HA ALA 21 HA ALA 21 2.413 -7.443 1.093 177 HB1 ALA 21 HB1 ALA 21 1.517 -5.799 2.643 178 HB2 ALA 21 HB2 ALA 21 2.266 -4.496 1.721 179 HB3 ALA 21 HB3 ALA 21 3.274 -5.672 2.564 180 H ALA 22 HN ALA 22 2.033 -4.848 -1.163 181 HA ALA 22 HA ALA 22 -0.716 -4.511 -1.257 182 HB1 ALA 22 HB1 ALA 22 -0.386 -3.703 -3.538 183 HB2 ALA 22 HB2 ALA 22 1.230 -4.409 -3.557 184 HB3 ALA 22 HB3 ALA 22 0.857 -3.083 -2.454 185 H ALA 23 HN ALA 23 1.272 -6.785 -3.129 186 HA ALA 23 HA ALA 23 -0.893 -7.954 -4.511 187 HB1 ALA 23 HB1 ALA 23 1.439 -8.060 -5.288 188 HB2 ALA 23 HB2 ALA 23 0.678 -9.649 -5.212 189 HB3 ALA 23 HB3 ALA 23 1.811 -9.153 -3.955 190 H LYS 24 HN LYS 24 0.440 -8.495 -1.365 191 HA LYS 24 HA LYS 24 -0.662 -11.128 -1.054 192 HB2 LYS 24 HB2 LYS 24 0.478 -9.227 1.002 193 HB3 LYS 24 HB1 LYS 24 0.061 -10.910 1.297 194 HG2 LYS 24 HG2 LYS 24 1.724 -11.607 -0.354 195 HG3 LYS 24 HG1 LYS 24 2.152 -9.919 -0.628 196 HD2 LYS 24 HD2 LYS 24 2.803 -9.731 1.743 197 HD3 LYS 24 HD1 LYS 24 2.435 -11.443 1.961 198 HE2 LYS 24 HE2 LYS 24 4.518 -10.278 0.118 199 HE3 LYS 24 HE1 LYS 24 4.823 -11.113 1.640 200 HZ1 LYS 24 HZ1 LYS 24 3.569 -12.320 -0.767 201 HZ2 LYS 24 HZ2 LYS 24 3.882 -13.121 0.688 202 HZ3 LYS 24 HZ3 LYS 24 5.163 -12.564 -0.259 203 H GLY 25 HN GLY 25 -1.311 -8.105 0.759 204 HA2 GLY 25 HA2 GLY 25 -4.131 -8.356 0.361 205 HA3 GLY 25 HA1 GLY 25 -3.661 -8.894 1.964 206 H PHE 26 HN PHE 26 -2.014 -6.331 0.283 207 HA PHE 26 HA PHE 26 -3.112 -4.437 2.240 208 HB2 PHE 26 HB2 PHE 26 -0.687 -4.718 2.391 209 HB3 PHE 26 HB1 PHE 26 -0.518 -4.314 0.690 210 HD1 PHE 26 HD1 PHE 26 -1.739 -2.911 3.911 211 HD2 PHE 26 HD2 PHE 26 -0.096 -2.127 0.065 212 HE1 PHE 26 HE1 PHE 26 -1.472 -0.543 4.514 213 HE2 PHE 26 HE2 PHE 26 0.173 0.246 0.660 214 HZ PHE 26 HZ PHE 26 -0.514 1.040 2.890 215 H ALA 27 HN ALA 27 -2.991 -5.237 -1.041 216 HA ALA 27 HA ALA 27 -4.300 -2.690 -1.723 217 HB1 ALA 27 HB1 ALA 27 -2.180 -2.951 -2.911 218 HB2 ALA 27 HB2 ALA 27 -3.546 -2.993 -4.025 219 HB3 ALA 27 HB3 ALA 27 -2.734 -4.490 -3.569 220 H TRP 28 HN TRP 28 -5.408 -5.146 -0.598 221 HA TRP 28 HA TRP 28 -7.210 -5.963 -2.769 222 HB2 TRP 28 HB2 TRP 28 -6.299 -7.370 -0.266 223 HB3 TRP 28 HB1 TRP 28 -7.709 -7.894 -1.169 224 HD1 TRP 28 HD1 TRP 28 -3.896 -7.486 -1.636 225 HE1 TRP 28 HE1 TRP 28 -3.122 -9.190 -3.407 226 HE3 TRP 28 HE3 TRP 28 -8.454 -9.332 -3.019 227 HZ2 TRP 28 HZ2 TRP 28 -4.296 -11.065 -5.156 228 HZ3 TRP 28 HZ3 TRP 28 -8.543 -11.082 -4.747 229 HH2 TRP 28 HH2 TRP 28 -6.506 -11.928 -5.792 230 H ASN 29 HN ASN 29 -7.057 -3.858 -0.305 231 HA ASN 29 HA ASN 29 -9.381 -4.446 1.207 232 HB2 ASN 29 HB2 ASN 29 -7.957 -1.798 0.839 233 HB3 ASN 29 HB1 ASN 29 -9.195 -2.124 2.042 234 HD21 ASN 29 HD21 ASN 29 -5.888 -2.490 1.174 235 HD22 ASN 29 HD22 ASN 29 -5.361 -3.216 2.656 236 H VAL 30 HN VAL 30 -11.445 -4.095 0.758 237 HA VAL 30 HA VAL 30 -12.146 -2.758 -1.727 238 HB VAL 30 HB VAL 30 -13.989 -4.094 0.282 239 HG11 VAL 30 HG11 VAL 30 -15.574 -4.170 -1.583 240 HG12 VAL 30 HG12 VAL 30 -14.428 -3.287 -2.591 241 HG13 VAL 30 HG13 VAL 30 -15.129 -2.515 -1.169 242 HG21 VAL 30 HG21 VAL 30 -12.876 -5.258 -2.265 243 HG22 VAL 30 HG22 VAL 30 -13.970 -6.039 -1.118 244 HG23 VAL 30 HG23 VAL 30 -12.315 -5.657 -0.640 245 H CYS 31 HN CYS 31 -11.927 -0.636 -1.435 246 HA CYS 31 HA CYS 31 -13.128 0.573 0.945 247 HB2 CYS 31 HB2 CYS 31 -11.680 2.572 0.213 248 HB3 CYS 31 HB1 CYS 31 -10.876 1.174 0.917 249 HG CYS 31 HG CYS 31 -9.593 0.351 -1.247 250 H VAL 32 HN VAL 32 -14.842 1.792 0.790 251 HA VAL 32 HA VAL 32 -15.507 3.012 -1.803 252 HB VAL 32 HB VAL 32 -17.952 2.669 -1.167 253 HG11 VAL 32 HG11 VAL 32 -16.901 1.504 -3.000 254 HG12 VAL 32 HG12 VAL 32 -18.015 0.428 -2.154 255 HG13 VAL 32 HG13 VAL 32 -16.276 0.277 -1.899 256 HG21 VAL 32 HG21 VAL 32 -16.723 0.589 0.640 257 HG22 VAL 32 HG22 VAL 32 -18.435 0.699 0.233 258 HG23 VAL 32 HG23 VAL 32 -17.661 1.995 1.145 259 H TYR 33 HN TYR 33 -17.183 4.755 -1.498 260 HA TYR 33 HA TYR 33 -16.230 6.360 0.751 261 HB2 TYR 33 HB2 TYR 33 -17.756 7.229 -1.713 262 HB3 TYR 33 HB1 TYR 33 -17.039 8.295 -0.503 263 HD1 TYR 33 HD1 TYR 33 -14.456 7.840 -0.055 264 HD2 TYR 33 HD2 TYR 33 -16.518 6.793 -3.627 265 HE1 TYR 33 HE1 TYR 33 -12.317 7.747 -1.254 266 HE2 TYR 33 HE2 TYR 33 -14.384 6.707 -4.837 267 HH TYR 33 HH TYR 33 -11.380 6.674 -3.252 268 H ARG 34 HN ARG 34 -17.377 5.667 2.440 269 HA ARG 34 HA ARG 34 -20.299 5.538 2.266 270 HB2 ARG 34 HB2 ARG 34 -19.159 3.561 3.179 271 HB3 ARG 34 HB1 ARG 34 -18.382 4.554 4.405 272 HG2 ARG 34 HG2 ARG 34 -20.546 5.046 5.389 273 HG3 ARG 34 HG1 ARG 34 -21.344 4.087 4.146 274 HD2 ARG 34 HD2 ARG 34 -21.188 2.736 6.098 275 HD3 ARG 34 HD1 ARG 34 -20.012 2.123 4.939 276 HE ARG 34 HE ARG 34 -18.658 3.926 6.543 277 HH11 ARG 34 HH11 ARG 34 -20.423 0.940 7.000 278 HH12 ARG 34 HH12 ARG 34 -19.469 0.428 8.354 279 HH21 ARG 34 HH21 ARG 34 -17.392 3.258 8.331 280 HH22 ARG 34 HH22 ARG 34 -17.742 1.747 9.112 281 H ASN 35 HN ASN 35 -21.289 7.381 2.753 282 HA ASN 35 HA ASN 35 -21.813 9.379 3.697 283 HB2 ASN 35 HB2 ASN 35 -21.591 7.965 5.829 284 HB3 ASN 35 HB1 ASN 35 -19.996 8.685 6.010 285 HD21 ASN 35 HD21 ASN 35 -19.823 10.854 6.560 286 HD22 ASN 35 HD22 ASN 35 -21.171 11.768 7.156 287 H GLY 36 HN GLY 36 -19.572 9.025 1.930 288 HA2 GLY 36 HA2 GLY 36 -18.268 10.660 0.901 289 HA3 GLY 36 HA1 GLY 36 -18.363 11.626 2.364 290 H VAL 37 HN VAL 37 -17.494 9.055 3.863 291 HA VAL 37 HA VAL 37 -14.634 9.601 3.457 292 HB VAL 37 HB VAL 37 -15.510 9.960 5.736 293 HG11 VAL 37 HG11 VAL 37 -16.113 8.044 7.141 294 HG12 VAL 37 HG12 VAL 37 -16.028 6.994 5.728 295 HG13 VAL 37 HG13 VAL 37 -17.244 8.270 5.806 296 HG21 VAL 37 HG21 VAL 37 -13.171 9.427 5.453 297 HG22 VAL 37 HG22 VAL 37 -13.534 7.703 5.498 298 HG23 VAL 37 HG23 VAL 37 -13.783 8.693 6.935 299 H ARG 38 HN ARG 38 -13.170 8.024 3.155 300 HA ARG 38 HA ARG 38 -14.171 5.800 1.656 301 HB2 ARG 38 HB2 ARG 38 -12.198 7.119 0.971 302 HB3 ARG 38 HB1 ARG 38 -11.339 6.535 2.387 303 HG2 ARG 38 HG2 ARG 38 -11.510 4.247 1.542 304 HG3 ARG 38 HG1 ARG 38 -12.381 4.839 0.125 305 HD2 ARG 38 HD2 ARG 38 -10.111 4.530 -0.514 306 HD3 ARG 38 HD1 ARG 38 -10.391 6.264 -0.389 307 HE ARG 38 HE ARG 38 -9.428 5.473 2.070 308 HH11 ARG 38 HH11 ARG 38 -8.292 5.502 -1.243 309 HH12 ARG 38 HH12 ARG 38 -6.616 5.585 -0.795 310 HH21 ARG 38 HH21 ARG 38 -7.234 5.589 2.656 311 HH22 ARG 38 HH22 ARG 38 -6.016 5.644 1.424 312 H VAL 39 HN VAL 39 -14.869 4.057 2.612 313 HA VAL 39 HA VAL 39 -13.609 3.146 5.100 314 HB VAL 39 HB VAL 39 -16.051 3.678 5.129 315 HG11 VAL 39 HG11 VAL 39 -16.250 1.278 3.345 316 HG12 VAL 39 HG12 VAL 39 -16.624 2.943 2.911 317 HG13 VAL 39 HG13 VAL 39 -17.608 2.104 4.110 318 HG21 VAL 39 HG21 VAL 39 -15.351 0.806 5.703 319 HG22 VAL 39 HG22 VAL 39 -16.725 1.698 6.366 320 HG23 VAL 39 HG23 VAL 39 -15.077 2.177 6.781 321 H CYS 40 HN CYS 40 -12.709 1.121 5.212 322 HA CYS 40 HA CYS 40 -12.742 -0.412 2.703 323 HB2 CYS 40 HB2 CYS 40 -10.388 -1.084 3.283 324 HB3 CYS 40 HB1 CYS 40 -10.602 0.605 2.849 325 HG CYS 40 HG CYS 40 -9.044 1.204 4.825 326 H HIS 41 HN HIS 41 -13.499 -2.365 2.879 327 HA HIS 41 HA HIS 41 -13.885 -3.491 5.525 328 HB2 HIS 41 HB2 HIS 41 -15.644 -4.634 4.679 329 HB3 HIS 41 HB1 HIS 41 -15.516 -3.471 3.390 330 HD1 HIS 41 HD1 HIS 41 -16.744 -6.374 3.215 331 HD2 HIS 41 HD2 HIS 41 -13.026 -5.182 1.801 332 HE1 HIS 41 HE1 HIS 41 -16.176 -7.956 1.352 333 HE2 HIS 41 HE2 HIS 41 -14.010 -7.142 0.428 334 H ARG 42 HN ARG 42 -13.516 -5.842 5.764 335 HA ARG 42 HA ARG 42 -10.722 -6.305 5.161 336 HB2 ARG 42 HB2 ARG 42 -12.669 -7.859 6.876 337 HB3 ARG 42 HB1 ARG 42 -10.945 -8.188 6.751 338 HG2 ARG 42 HG2 ARG 42 -10.429 -6.016 7.676 339 HG3 ARG 42 HG1 ARG 42 -12.144 -5.607 7.730 340 HD2 ARG 42 HD2 ARG 42 -12.521 -7.418 9.326 341 HD3 ARG 42 HD1 ARG 42 -10.808 -7.836 9.263 342 HE ARG 42 HE ARG 42 -10.901 -5.170 9.938 343 HH11 ARG 42 HH11 ARG 42 -12.153 -8.135 11.306 344 HH12 ARG 42 HH12 ARG 42 -12.055 -7.569 12.942 345 HH21 ARG 42 HH21 ARG 42 -10.776 -4.419 12.083 346 HH22 ARG 42 HH22 ARG 42 -11.275 -5.452 13.385 347 H ARG 43 HN ARG 43 -9.976 -7.658 3.680 348 HA ARG 43 HA ARG 43 -11.884 -8.807 1.840 349 HB2 ARG 43 HB2 ARG 43 -9.705 -7.507 1.296 350 HB3 ARG 43 HB1 ARG 43 -8.935 -9.069 1.557 351 HG2 ARG 43 HG2 ARG 43 -9.395 -8.782 -0.762 352 HG3 ARG 43 HG1 ARG 43 -10.433 -10.053 -0.143 353 HD2 ARG 43 HD2 ARG 43 -12.240 -8.370 0.029 354 HD3 ARG 43 HD1 ARG 43 -11.160 -7.192 -0.708 355 HE ARG 43 HE ARG 43 -12.319 -9.548 -2.021 356 HH11 ARG 43 HH11 ARG 43 -10.505 -6.552 -2.230 357 HH12 ARG 43 HH12 ARG 43 -10.719 -6.399 -3.947 358 HH21 ARG 43 HH21 ARG 43 -12.588 -9.348 -4.279 359 HH22 ARG 43 HH22 ARG 43 -11.897 -7.992 -5.111 360 H ALA 44 HN ALA 44 -12.419 -10.858 1.698 361 HA ALA 44 HA ALA 44 -10.775 -12.859 3.102 362 HB1 ALA 44 HB1 ALA 44 -13.770 -12.864 2.708 363 HB2 ALA 44 HB2 ALA 44 -12.928 -12.513 4.216 364 HB3 ALA 44 HB3 ALA 44 -12.832 -14.124 3.509 365 H ASN 45 HN ASN 45 -9.611 -13.728 1.475 366 HA ASN 45 HA ASN 45 -10.662 -14.032 -1.174 367 HB2 ASN 45 HB2 ASN 45 -8.091 -14.968 0.109 368 HB3 ASN 45 HB1 ASN 45 -8.490 -15.267 -1.580 369 HD21 ASN 45 HD21 ASN 45 -9.826 -12.700 -1.913 370 HD22 ASN 45 HD22 ASN 45 -8.572 -11.516 -1.982 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 13.229 -28.896 11.812 2 H2 ARG 1 HT2 ARG 1 13.633 -28.008 10.437 3 H3 ARG 1 HT3 ARG 1 13.461 -27.228 11.924 4 HA ARG 1 HA ARG 1 15.766 -27.459 11.350 5 HB2 ARG 1 HB2 ARG 1 16.515 -28.665 13.408 6 HB3 ARG 1 HB1 ARG 1 15.284 -27.445 13.691 7 HG2 ARG 1 HG2 ARG 1 13.590 -29.111 13.932 8 HG3 ARG 1 HG1 ARG 1 14.701 -30.384 13.430 9 HD2 ARG 1 HD2 ARG 1 14.966 -28.688 15.909 10 HD3 ARG 1 HD1 ARG 1 14.383 -30.350 15.862 11 HE ARG 1 HE ARG 1 16.961 -30.128 14.679 12 HH11 ARG 1 HH11 ARG 1 15.335 -30.223 17.778 13 HH12 ARG 1 HH12 ARG 1 16.707 -30.871 18.622 14 HH21 ARG 1 HH21 ARG 1 18.768 -30.970 15.781 15 HH22 ARG 1 HH22 ARG 1 18.660 -31.305 17.480 16 H VAL 2 HN VAL 2 14.093 -30.584 11.467 17 HA VAL 2 HA VAL 2 16.435 -31.810 10.179 18 HB VAL 2 HB VAL 2 14.132 -33.131 11.627 19 HG11 VAL 2 HG11 VAL 2 14.905 -34.531 9.789 20 HG12 VAL 2 HG12 VAL 2 15.376 -35.222 11.342 21 HG13 VAL 2 HG13 VAL 2 16.568 -34.375 10.357 22 HG21 VAL 2 HG21 VAL 2 15.688 -32.031 13.137 23 HG22 VAL 2 HG22 VAL 2 17.041 -32.852 12.363 24 HG23 VAL 2 HG23 VAL 2 15.843 -33.782 13.261 25 H GLN 3 HN GLN 3 12.894 -31.607 9.990 26 HA GLN 3 HA GLN 3 12.953 -32.866 7.364 27 HB2 GLN 3 HB2 GLN 3 10.621 -31.961 9.064 28 HB3 GLN 3 HB1 GLN 3 10.490 -32.820 7.534 29 HG2 GLN 3 HG2 GLN 3 11.714 -33.858 10.081 30 HG3 GLN 3 HG1 GLN 3 10.180 -34.349 9.367 31 HE21 GLN 3 HE21 GLN 3 12.519 -35.949 10.023 32 HE22 GLN 3 HE22 GLN 3 13.015 -36.708 8.551 33 H GLY 4 HN GLY 4 13.065 -31.725 5.577 34 HA2 GLY 4 HA2 GLY 4 13.501 -28.940 5.720 35 HA3 GLY 4 HA1 GLY 4 13.457 -29.904 4.258 36 H ARG 5 HN ARG 5 10.525 -30.564 5.420 37 HA ARG 5 HA ARG 5 9.265 -28.617 3.750 38 HB2 ARG 5 HB2 ARG 5 7.318 -29.818 3.976 39 HB3 ARG 5 HB1 ARG 5 8.508 -31.064 4.308 40 HG2 ARG 5 HG2 ARG 5 6.963 -29.521 6.381 41 HG3 ARG 5 HG1 ARG 5 6.603 -31.156 5.833 42 HD2 ARG 5 HD2 ARG 5 8.821 -31.875 6.646 43 HD3 ARG 5 HD1 ARG 5 9.097 -30.247 7.264 44 HE ARG 5 HE ARG 5 6.833 -31.888 8.188 45 HH11 ARG 5 HH11 ARG 5 9.705 -29.999 8.878 46 HH12 ARG 5 HH12 ARG 5 9.444 -30.009 10.591 47 HH21 ARG 5 HH21 ARG 5 6.507 -31.907 10.436 48 HH22 ARG 5 HH22 ARG 5 7.641 -31.107 11.478 49 H TRP 6 HN TRP 6 10.453 -28.418 6.817 50 HA TRP 6 HA TRP 6 8.432 -26.681 7.940 51 HB2 TRP 6 HB2 TRP 6 9.951 -28.201 9.295 52 HB3 TRP 6 HB1 TRP 6 11.270 -27.103 8.906 53 HD1 TRP 6 HD1 TRP 6 11.465 -24.900 10.318 54 HE1 TRP 6 HE1 TRP 6 10.180 -23.964 12.345 55 HE3 TRP 6 HE3 TRP 6 7.513 -28.144 10.339 56 HZ2 TRP 6 HZ2 TRP 6 7.806 -24.531 13.761 57 HZ3 TRP 6 HZ3 TRP 6 5.780 -27.878 12.063 58 HH2 TRP 6 HH2 TRP 6 5.923 -26.109 13.740 59 H LYS 7 HN LYS 7 10.907 -26.398 5.704 60 HA LYS 7 HA LYS 7 11.756 -23.726 6.412 61 HB2 LYS 7 HB2 LYS 7 12.463 -25.455 4.038 62 HB3 LYS 7 HB1 LYS 7 13.209 -23.914 4.436 63 HG2 LYS 7 HG2 LYS 7 13.976 -24.876 6.577 64 HG3 LYS 7 HG1 LYS 7 13.298 -26.428 6.088 65 HD2 LYS 7 HD2 LYS 7 15.671 -26.412 5.646 66 HD3 LYS 7 HD1 LYS 7 14.791 -26.419 4.117 67 HE2 LYS 7 HE2 LYS 7 15.173 -24.061 3.829 68 HE3 LYS 7 HE1 LYS 7 15.904 -23.943 5.428 69 HZ1 LYS 7 HZ1 LYS 7 17.570 -24.011 3.675 70 HZ2 LYS 7 HZ2 LYS 7 16.994 -25.512 3.157 71 HZ3 LYS 7 HZ3 LYS 7 17.699 -25.361 4.685 72 H VAL 8 HN VAL 8 8.954 -24.368 5.546 73 HA VAL 8 HA VAL 8 8.334 -23.353 3.043 74 HB VAL 8 HB VAL 8 6.114 -22.718 4.036 75 HG11 VAL 8 HG11 VAL 8 5.458 -25.034 4.552 76 HG12 VAL 8 HG12 VAL 8 7.163 -25.482 4.617 77 HG13 VAL 8 HG13 VAL 8 6.455 -24.917 3.103 78 HG21 VAL 8 HG21 VAL 8 7.354 -23.788 6.567 79 HG22 VAL 8 HG22 VAL 8 5.649 -23.399 6.342 80 HG23 VAL 8 HG23 VAL 8 6.861 -22.120 6.272 81 H ARG 9 HN ARG 9 9.376 -21.659 5.879 82 HA ARG 9 HA ARG 9 8.476 -19.072 5.322 83 HB2 ARG 9 HB2 ARG 9 10.346 -18.310 6.726 84 HB3 ARG 9 HB1 ARG 9 9.495 -19.663 7.454 85 HG2 ARG 9 HG2 ARG 9 11.256 -21.179 6.664 86 HG3 ARG 9 HG1 ARG 9 12.116 -19.800 5.977 87 HD2 ARG 9 HD2 ARG 9 13.090 -20.348 8.104 88 HD3 ARG 9 HD1 ARG 9 12.241 -18.811 8.242 89 HE ARG 9 HE ARG 9 10.409 -20.668 9.041 90 HH11 ARG 9 HH11 ARG 9 13.673 -19.862 10.003 91 HH12 ARG 9 HH12 ARG 9 13.439 -20.330 11.657 92 HH21 ARG 9 HH21 ARG 9 10.091 -21.286 11.219 93 HH22 ARG 9 HH22 ARG 9 11.403 -21.146 12.347 94 H ALA 10 HN ALA 10 10.993 -20.954 3.849 95 HA ALA 10 HA ALA 10 12.094 -18.628 2.465 96 HB1 ALA 10 HB1 ALA 10 13.773 -20.161 1.606 97 HB2 ALA 10 HB2 ALA 10 12.909 -21.528 2.311 98 HB3 ALA 10 HB3 ALA 10 13.642 -20.313 3.358 99 H SER 11 HN SER 11 9.833 -21.151 2.010 100 HA SER 11 HA SER 11 9.946 -21.144 -0.874 101 HB2 SER 11 HB2 SER 11 9.340 -23.188 0.393 102 HB3 SER 11 HB1 SER 11 7.895 -22.375 0.988 103 HG SER 11 HG SER 11 7.276 -22.142 -1.261 104 H PHE 12 HN PHE 12 7.635 -20.054 1.613 105 HA PHE 12 HA PHE 12 5.950 -18.759 -0.328 106 HB2 PHE 12 HB2 PHE 12 5.974 -18.755 2.691 107 HB3 PHE 12 HB1 PHE 12 4.821 -17.820 1.746 108 HD1 PHE 12 HD1 PHE 12 3.033 -18.900 0.550 109 HD2 PHE 12 HD2 PHE 12 5.870 -21.179 2.751 110 HE1 PHE 12 HE1 PHE 12 1.561 -20.866 0.404 111 HE2 PHE 12 HE2 PHE 12 4.401 -23.149 2.614 112 HZ PHE 12 HZ PHE 12 2.245 -22.992 1.438 113 H PHE 13 HN PHE 13 8.904 -17.999 0.710 114 HA PHE 13 HA PHE 13 8.773 -15.311 1.487 115 HB2 PHE 13 HB2 PHE 13 10.770 -16.735 1.743 116 HB3 PHE 13 HB1 PHE 13 10.987 -16.737 -0.002 117 HD1 PHE 13 HD1 PHE 13 10.778 -14.438 2.911 118 HD2 PHE 13 HD2 PHE 13 12.319 -15.130 -0.995 119 HE1 PHE 13 HE1 PHE 13 12.150 -12.407 3.097 120 HE2 PHE 13 HE2 PHE 13 13.692 -13.096 -0.816 121 HZ PHE 13 HZ PHE 13 13.609 -11.733 1.232 122 H LYS 14 HN LYS 14 8.784 -16.839 -1.676 123 HA LYS 14 HA LYS 14 9.103 -14.499 -3.225 124 HB2 LYS 14 HB2 LYS 14 8.123 -15.828 -5.066 125 HB3 LYS 14 HB1 LYS 14 9.391 -16.694 -4.216 126 HG2 LYS 14 HG2 LYS 14 7.772 -18.029 -3.046 127 HG3 LYS 14 HG1 LYS 14 6.449 -17.084 -3.724 128 HD2 LYS 14 HD2 LYS 14 6.456 -18.966 -5.070 129 HD3 LYS 14 HD1 LYS 14 7.414 -17.826 -6.010 130 HE2 LYS 14 HE2 LYS 14 8.590 -19.897 -4.165 131 HE3 LYS 14 HE1 LYS 14 8.342 -20.150 -5.889 132 HZ1 LYS 14 HZ1 LYS 14 9.800 -18.215 -6.283 133 HZ2 LYS 14 HZ2 LYS 14 10.588 -19.494 -5.514 134 HZ3 LYS 14 HZ3 LYS 14 10.120 -18.138 -4.625 135 H GLU 15 HN GLU 15 6.309 -16.025 -1.758 136 HA GLU 15 HA GLU 15 4.356 -14.405 -3.078 137 HB2 GLU 15 HB2 GLU 15 4.000 -16.713 -2.058 138 HB3 GLU 15 HB1 GLU 15 4.028 -15.926 -0.487 139 HG2 GLU 15 HG2 GLU 15 1.760 -16.270 -1.154 140 HG3 GLU 15 HG1 GLU 15 2.110 -14.544 -1.187 141 H ALA 16 HN ALA 16 6.257 -14.230 -0.191 142 HA ALA 16 HA ALA 16 4.815 -11.989 0.911 143 HB1 ALA 16 HB1 ALA 16 5.774 -13.686 2.389 144 HB2 ALA 16 HB2 ALA 16 6.459 -12.091 2.710 145 HB3 ALA 16 HB3 ALA 16 7.388 -13.285 1.802 146 H ALA 17 HN ALA 17 6.816 -12.232 -1.626 147 HA ALA 17 HA ALA 17 8.458 -9.895 -1.033 148 HB1 ALA 17 HB1 ALA 17 9.537 -11.808 -2.103 149 HB2 ALA 17 HB2 ALA 17 9.586 -10.385 -3.143 150 HB3 ALA 17 HB3 ALA 17 8.429 -11.675 -3.469 151 H ALA 18 HN ALA 18 5.416 -10.133 -1.748 152 HA ALA 18 HA ALA 18 5.187 -8.498 -4.101 153 HB1 ALA 18 HB1 ALA 18 3.483 -10.160 -3.568 154 HB2 ALA 18 HB2 ALA 18 2.787 -8.542 -3.637 155 HB3 ALA 18 HB3 ALA 18 3.101 -9.301 -2.077 156 H LYS 19 HN LYS 19 6.475 -7.661 -1.402 157 HA LYS 19 HA LYS 19 4.970 -5.564 -0.297 158 HB2 LYS 19 HB2 LYS 19 6.876 -6.655 0.829 159 HB3 LYS 19 HB1 LYS 19 7.970 -5.933 -0.338 160 HG2 LYS 19 HG2 LYS 19 7.344 -3.705 0.460 161 HG3 LYS 19 HG1 LYS 19 6.262 -4.442 1.641 162 HD2 LYS 19 HD2 LYS 19 8.172 -5.586 2.668 163 HD3 LYS 19 HD1 LYS 19 9.250 -4.832 1.492 164 HE2 LYS 19 HE2 LYS 19 7.537 -3.359 3.492 165 HE3 LYS 19 HE1 LYS 19 9.262 -3.675 3.667 166 HZ1 LYS 19 HZ1 LYS 19 8.842 -1.449 2.836 167 HZ2 LYS 19 HZ2 LYS 19 8.019 -2.073 1.498 168 HZ3 LYS 19 HZ3 LYS 19 9.669 -2.365 1.684 169 H GLU 20 HN GLU 20 6.989 -5.726 -3.118 170 HA GLU 20 HA GLU 20 7.530 -2.950 -3.354 171 HB2 GLU 20 HB2 GLU 20 8.224 -3.457 -5.632 172 HB3 GLU 20 HB1 GLU 20 8.872 -4.644 -4.511 173 HG2 GLU 20 HG2 GLU 20 7.191 -6.246 -5.179 174 HG3 GLU 20 HG1 GLU 20 6.441 -5.050 -6.235 175 H ALA 21 HN ALA 21 4.783 -4.898 -4.094 176 HA ALA 21 HA ALA 21 3.678 -3.107 -6.056 177 HB1 ALA 21 HB1 ALA 21 2.403 -5.423 -4.606 178 HB2 ALA 21 HB2 ALA 21 3.234 -5.505 -6.160 179 HB3 ALA 21 HB3 ALA 21 1.738 -4.584 -6.007 180 H ALA 22 HN ALA 22 3.994 -2.915 -2.781 181 HA ALA 22 HA ALA 22 1.481 -2.133 -1.843 182 HB1 ALA 22 HB1 ALA 22 3.379 -2.686 -0.389 183 HB2 ALA 22 HB2 ALA 22 2.641 -1.139 0.026 184 HB3 ALA 22 HB3 ALA 22 4.162 -1.179 -0.866 185 H ALA 23 HN ALA 23 3.662 -0.478 -3.895 186 HA ALA 23 HA ALA 23 2.957 2.184 -3.242 187 HB1 ALA 23 HB1 ALA 23 4.076 1.094 -5.815 188 HB2 ALA 23 HB2 ALA 23 5.018 1.610 -4.418 189 HB3 ALA 23 HB3 ALA 23 4.062 2.785 -5.321 190 H LYS 24 HN LYS 24 1.550 -0.211 -5.404 191 HA LYS 24 HA LYS 24 -0.769 1.474 -5.783 192 HB2 LYS 24 HB2 LYS 24 0.677 2.306 -7.561 193 HB3 LYS 24 HB1 LYS 24 0.937 0.668 -8.143 194 HG2 LYS 24 HG2 LYS 24 -1.483 0.510 -8.628 195 HG3 LYS 24 HG1 LYS 24 -1.645 2.206 -8.172 196 HD2 LYS 24 HD2 LYS 24 -0.105 2.843 -9.946 197 HD3 LYS 24 HD1 LYS 24 0.117 1.148 -10.381 198 HE2 LYS 24 HE2 LYS 24 -2.485 2.666 -10.497 199 HE3 LYS 24 HE1 LYS 24 -1.460 2.286 -11.879 200 HZ1 LYS 24 HZ1 LYS 24 -3.287 0.726 -11.678 201 HZ2 LYS 24 HZ2 LYS 24 -2.794 0.300 -10.120 202 HZ3 LYS 24 HZ3 LYS 24 -1.810 -0.063 -11.444 203 H GLY 25 HN GLY 25 0.880 -1.467 -6.964 204 HA2 GLY 25 HA2 GLY 25 -1.631 -2.730 -7.623 205 HA3 GLY 25 HA1 GLY 25 -0.034 -3.445 -7.768 206 H PHE 26 HN PHE 26 -1.307 -2.032 -4.849 207 HA PHE 26 HA PHE 26 -1.527 -4.708 -3.650 208 HB2 PHE 26 HB2 PHE 26 0.459 -3.306 -2.911 209 HB3 PHE 26 HB1 PHE 26 -0.700 -2.204 -2.176 210 HD1 PHE 26 HD1 PHE 26 -0.100 -5.877 -2.279 211 HD2 PHE 26 HD2 PHE 26 -0.969 -2.453 0.083 212 HE1 PHE 26 HE1 PHE 26 -0.090 -7.281 -0.254 213 HE2 PHE 26 HE2 PHE 26 -0.969 -3.845 2.114 214 HZ PHE 26 HZ PHE 26 -0.529 -6.261 1.946 215 H ALA 27 HN ALA 27 -3.500 -3.071 -4.974 216 HA ALA 27 HA ALA 27 -5.116 -1.738 -3.023 217 HB1 ALA 27 HB1 ALA 27 -5.062 -1.028 -5.370 218 HB2 ALA 27 HB2 ALA 27 -6.699 -1.408 -4.833 219 HB3 ALA 27 HB3 ALA 27 -5.814 -2.553 -5.841 220 H TRP 28 HN TRP 28 -4.891 -3.931 -1.763 221 HA TRP 28 HA TRP 28 -6.821 -5.951 -2.381 222 HB2 TRP 28 HB2 TRP 28 -5.237 -5.292 0.106 223 HB3 TRP 28 HB1 TRP 28 -6.371 -6.633 0.034 224 HD1 TRP 28 HD1 TRP 28 -3.482 -5.522 -2.342 225 HE1 TRP 28 HE1 TRP 28 -2.035 -7.597 -2.832 226 HE3 TRP 28 HE3 TRP 28 -5.995 -8.944 0.505 227 HZ2 TRP 28 HZ2 TRP 28 -1.974 -10.325 -2.100 228 HZ3 TRP 28 HZ3 TRP 28 -5.178 -11.264 0.556 229 HH2 TRP 28 HH2 TRP 28 -3.213 -11.938 -0.718 230 H ASN 29 HN ASN 29 -6.795 -2.954 -0.677 231 HA ASN 29 HA ASN 29 -8.940 -3.290 1.081 232 HB2 ASN 29 HB2 ASN 29 -7.932 -0.786 -0.279 233 HB3 ASN 29 HB1 ASN 29 -9.091 -0.800 1.045 234 HD21 ASN 29 HD21 ASN 29 -6.431 0.383 0.849 235 HD22 ASN 29 HD22 ASN 29 -5.517 -0.288 2.156 236 H VAL 30 HN VAL 30 -10.956 -3.827 0.564 237 HA VAL 30 HA VAL 30 -12.175 -2.881 -1.902 238 HB VAL 30 HB VAL 30 -13.624 -4.325 0.310 239 HG11 VAL 30 HG11 VAL 30 -14.959 -3.409 -1.499 240 HG12 VAL 30 HG12 VAL 30 -14.992 -5.173 -1.517 241 HG13 VAL 30 HG13 VAL 30 -13.994 -4.296 -2.677 242 HG21 VAL 30 HG21 VAL 30 -11.573 -5.595 -0.150 243 HG22 VAL 30 HG22 VAL 30 -12.023 -5.677 -1.857 244 HG23 VAL 30 HG23 VAL 30 -13.036 -6.457 -0.636 245 H CYS 31 HN CYS 31 -12.532 -0.740 -1.724 246 HA CYS 31 HA CYS 31 -13.662 0.247 0.801 247 HB2 CYS 31 HB2 CYS 31 -12.409 2.360 0.297 248 HB3 CYS 31 HB1 CYS 31 -11.397 0.961 0.648 249 HG CYS 31 HG CYS 31 -9.940 1.295 -1.425 250 H VAL 32 HN VAL 32 -15.252 1.714 0.794 251 HA VAL 32 HA VAL 32 -16.105 2.890 -1.749 252 HB VAL 32 HB VAL 32 -18.529 2.540 -0.824 253 HG11 VAL 32 HG11 VAL 32 -18.731 0.480 -2.133 254 HG12 VAL 32 HG12 VAL 32 -16.976 0.308 -2.127 255 HG13 VAL 32 HG13 VAL 32 -17.726 1.680 -2.945 256 HG21 VAL 32 HG21 VAL 32 -18.802 0.365 0.307 257 HG22 VAL 32 HG22 VAL 32 -17.923 1.532 1.293 258 HG23 VAL 32 HG23 VAL 32 -17.049 0.245 0.461 259 H TYR 33 HN TYR 33 -17.311 4.825 -1.482 260 HA TYR 33 HA TYR 33 -16.475 6.239 0.897 261 HB2 TYR 33 HB2 TYR 33 -17.690 7.096 -1.704 262 HB3 TYR 33 HB1 TYR 33 -17.698 8.188 -0.326 263 HD1 TYR 33 HD1 TYR 33 -15.998 9.722 -0.276 264 HD2 TYR 33 HD2 TYR 33 -15.226 5.908 -1.996 265 HE1 TYR 33 HE1 TYR 33 -13.695 10.411 -0.758 266 HE2 TYR 33 HE2 TYR 33 -12.922 6.588 -2.482 267 HH TYR 33 HH TYR 33 -11.640 8.671 -2.820 268 H ARG 34 HN ARG 34 -17.622 5.597 2.575 269 HA ARG 34 HA ARG 34 -20.543 5.708 2.434 270 HB2 ARG 34 HB2 ARG 34 -18.669 4.582 4.532 271 HB3 ARG 34 HB1 ARG 34 -20.422 4.630 4.699 272 HG2 ARG 34 HG2 ARG 34 -20.695 3.169 2.817 273 HG3 ARG 34 HG1 ARG 34 -18.970 3.227 2.466 274 HD2 ARG 34 HD2 ARG 34 -19.558 1.152 3.586 275 HD3 ARG 34 HD1 ARG 34 -18.501 2.133 4.597 276 HE ARG 34 HE ARG 34 -21.029 2.792 5.401 277 HH11 ARG 34 HH11 ARG 34 -19.218 -0.178 5.114 278 HH12 ARG 34 HH12 ARG 34 -20.035 -0.958 6.432 279 HH21 ARG 34 HH21 ARG 34 -22.111 1.778 7.151 280 HH22 ARG 34 HH22 ARG 34 -21.680 0.155 7.595 281 H ASN 35 HN ASN 35 -20.972 7.814 2.468 282 HA ASN 35 HA ASN 35 -21.257 9.928 3.193 283 HB2 ASN 35 HB2 ASN 35 -22.023 8.814 5.283 284 HB3 ASN 35 HB1 ASN 35 -20.375 8.883 5.896 285 HD21 ASN 35 HD21 ASN 35 -19.558 10.801 6.635 286 HD22 ASN 35 HD22 ASN 35 -20.544 12.205 6.892 287 H GLY 36 HN GLY 36 -19.111 9.709 1.768 288 HA2 GLY 36 HA2 GLY 36 -17.386 11.148 1.228 289 HA3 GLY 36 HA1 GLY 36 -17.527 11.863 2.823 290 H VAL 37 HN VAL 37 -17.229 8.959 3.883 291 HA VAL 37 HA VAL 37 -14.300 9.093 3.929 292 HB VAL 37 HB VAL 37 -16.066 7.336 5.630 293 HG11 VAL 37 HG11 VAL 37 -13.225 8.287 5.945 294 HG12 VAL 37 HG12 VAL 37 -13.756 6.646 5.580 295 HG13 VAL 37 HG13 VAL 37 -14.119 7.363 7.148 296 HG21 VAL 37 HG21 VAL 37 -15.055 10.105 6.253 297 HG22 VAL 37 HG22 VAL 37 -15.878 9.035 7.386 298 HG23 VAL 37 HG23 VAL 37 -16.734 9.651 5.973 299 H ARG 38 HN ARG 38 -13.014 7.556 3.156 300 HA ARG 38 HA ARG 38 -14.189 5.572 1.419 301 HB2 ARG 38 HB2 ARG 38 -12.227 6.874 0.703 302 HB3 ARG 38 HB1 ARG 38 -11.296 6.197 2.032 303 HG2 ARG 38 HG2 ARG 38 -11.451 3.989 1.072 304 HG3 ARG 38 HG1 ARG 38 -12.514 4.588 -0.204 305 HD2 ARG 38 HD2 ARG 38 -10.292 4.348 -1.082 306 HD3 ARG 38 HD1 ARG 38 -10.683 6.063 -0.975 307 HE ARG 38 HE ARG 38 -9.395 5.451 1.381 308 HH11 ARG 38 HH11 ARG 38 -8.626 5.240 -2.023 309 HH12 ARG 38 HH12 ARG 38 -6.925 5.469 -1.789 310 HH21 ARG 38 HH21 ARG 38 -7.147 5.735 1.702 311 HH22 ARG 38 HH22 ARG 38 -6.082 5.740 0.333 312 H VAL 39 HN VAL 39 -14.972 3.822 2.368 313 HA VAL 39 HA VAL 39 -13.668 2.786 4.788 314 HB VAL 39 HB VAL 39 -16.407 2.112 3.726 315 HG11 VAL 39 HG11 VAL 39 -15.174 1.795 6.454 316 HG12 VAL 39 HG12 VAL 39 -15.580 0.504 5.323 317 HG13 VAL 39 HG13 VAL 39 -16.861 1.475 6.053 318 HG21 VAL 39 HG21 VAL 39 -17.216 3.732 5.441 319 HG22 VAL 39 HG22 VAL 39 -16.395 4.445 4.050 320 HG23 VAL 39 HG23 VAL 39 -15.550 4.294 5.592 321 H CYS 40 HN CYS 40 -12.453 1.067 4.586 322 HA CYS 40 HA CYS 40 -12.915 -0.740 2.321 323 HB2 CYS 40 HB2 CYS 40 -10.634 -1.534 2.698 324 HB3 CYS 40 HB1 CYS 40 -10.673 0.212 2.500 325 HG CYS 40 HG CYS 40 -10.774 -0.961 5.662 326 H HIS 41 HN HIS 41 -13.494 -2.809 2.605 327 HA HIS 41 HA HIS 41 -14.219 -3.565 5.323 328 HB2 HIS 41 HB2 HIS 41 -15.841 -4.941 4.459 329 HB3 HIS 41 HB1 HIS 41 -15.733 -3.736 3.205 330 HD1 HIS 41 HD1 HIS 41 -17.011 -6.297 2.483 331 HD2 HIS 41 HD2 HIS 41 -12.922 -5.705 2.094 332 HE1 HIS 41 HE1 HIS 41 -16.249 -7.933 0.737 333 HE2 HIS 41 HE2 HIS 41 -13.752 -7.714 0.691 334 H ARG 42 HN ARG 42 -13.972 -5.886 5.921 335 HA ARG 42 HA ARG 42 -11.206 -6.524 5.918 336 HB2 ARG 42 HB2 ARG 42 -11.894 -8.587 7.115 337 HB3 ARG 42 HB1 ARG 42 -12.562 -7.124 7.823 338 HG2 ARG 42 HG2 ARG 42 -14.705 -7.570 6.754 339 HG3 ARG 42 HG1 ARG 42 -14.035 -9.024 6.011 340 HD2 ARG 42 HD2 ARG 42 -13.638 -9.982 8.214 341 HD3 ARG 42 HD1 ARG 42 -14.261 -8.518 8.974 342 HE ARG 42 HE ARG 42 -16.169 -9.637 7.191 343 HH11 ARG 42 HH11 ARG 42 -14.753 -10.085 10.357 344 HH12 ARG 42 HH12 ARG 42 -16.160 -10.858 11.018 345 HH21 ARG 42 HH21 ARG 42 -18.032 -10.648 8.058 346 HH22 ARG 42 HH22 ARG 42 -18.024 -11.171 9.712 347 H ARG 43 HN ARG 43 -10.048 -7.923 4.713 348 HA ARG 43 HA ARG 43 -11.378 -8.889 2.302 349 HB2 ARG 43 HB2 ARG 43 -8.480 -8.417 2.977 350 HB3 ARG 43 HB1 ARG 43 -8.991 -9.235 1.508 351 HG2 ARG 43 HG2 ARG 43 -9.125 -7.255 0.537 352 HG3 ARG 43 HG1 ARG 43 -10.487 -6.885 1.594 353 HD2 ARG 43 HD2 ARG 43 -7.642 -6.464 2.441 354 HD3 ARG 43 HD1 ARG 43 -8.537 -5.241 1.554 355 HE ARG 43 HE ARG 43 -10.201 -5.509 3.509 356 HH11 ARG 43 HH11 ARG 43 -6.724 -5.830 3.814 357 HH12 ARG 43 HH12 ARG 43 -6.683 -5.165 5.414 358 HH21 ARG 43 HH21 ARG 43 -10.138 -4.628 5.621 359 HH22 ARG 43 HH22 ARG 43 -8.615 -4.479 6.438 360 H ALA 44 HN ALA 44 -10.903 -10.949 1.459 361 HA ALA 44 HA ALA 44 -9.679 -12.940 3.159 362 HB1 ALA 44 HB1 ALA 44 -11.646 -14.384 3.258 363 HB2 ALA 44 HB2 ALA 44 -12.605 -13.147 2.446 364 HB3 ALA 44 HB3 ALA 44 -11.953 -12.843 4.056 365 H ASN 45 HN ASN 45 -8.251 -13.142 1.399 366 HA ASN 45 HA ASN 45 -9.419 -14.262 -1.057 367 HB2 ASN 45 HB2 ASN 45 -6.686 -13.050 -0.580 368 HB3 ASN 45 HB1 ASN 45 -7.201 -13.786 -2.093 369 HD21 ASN 45 HD21 ASN 45 -7.446 -11.054 -0.010 370 HD22 ASN 45 HD22 ASN 45 -8.291 -10.026 -1.117 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 -2.338 -36.026 8.192 2 H2 ARG 1 HT2 ARG 1 -1.426 -36.934 9.281 3 H3 ARG 1 HT3 ARG 1 -0.677 -35.753 8.335 4 HA ARG 1 HA ARG 1 -2.725 -35.253 10.412 5 HB2 ARG 1 HB2 ARG 1 -0.920 -34.293 11.741 6 HB3 ARG 1 HB1 ARG 1 -0.594 -35.980 11.380 7 HG2 ARG 1 HG2 ARG 1 0.907 -35.222 9.541 8 HG3 ARG 1 HG1 ARG 1 0.664 -33.566 10.100 9 HD2 ARG 1 HD2 ARG 1 1.561 -34.174 12.291 10 HD3 ARG 1 HD1 ARG 1 1.793 -35.831 11.741 11 HE ARG 1 HE ARG 1 3.139 -33.788 10.186 12 HH11 ARG 1 HH11 ARG 1 3.368 -36.114 12.793 13 HH12 ARG 1 HH12 ARG 1 5.099 -36.197 12.735 14 HH21 ARG 1 HH21 ARG 1 5.414 -33.895 10.108 15 HH22 ARG 1 HH22 ARG 1 6.264 -34.936 11.206 16 H VAL 2 HN VAL 2 -1.335 -34.200 7.531 17 HA VAL 2 HA VAL 2 -1.450 -31.373 8.136 18 HB VAL 2 HB VAL 2 -0.970 -32.748 5.485 19 HG11 VAL 2 HG11 VAL 2 -1.756 -30.460 5.209 20 HG12 VAL 2 HG12 VAL 2 -0.052 -30.591 4.776 21 HG13 VAL 2 HG13 VAL 2 -0.517 -29.887 6.324 22 HG21 VAL 2 HG21 VAL 2 0.995 -31.600 7.465 23 HG22 VAL 2 HG22 VAL 2 1.392 -32.251 5.875 24 HG23 VAL 2 HG23 VAL 2 0.744 -33.312 7.125 25 H GLN 3 HN GLN 3 -3.634 -31.215 8.714 26 HA GLN 3 HA GLN 3 -5.586 -31.530 6.544 27 HB2 GLN 3 HB2 GLN 3 -6.039 -31.022 9.492 28 HB3 GLN 3 HB1 GLN 3 -7.285 -31.348 8.295 29 HG2 GLN 3 HG2 GLN 3 -6.447 -33.577 7.961 30 HG3 GLN 3 HG1 GLN 3 -5.088 -33.263 9.036 31 HE21 GLN 3 HE21 GLN 3 -7.182 -35.290 9.177 32 HE22 GLN 3 HE22 GLN 3 -7.939 -35.082 10.717 33 H GLY 4 HN GLY 4 -7.465 -29.730 6.960 34 HA2 GLY 4 HA2 GLY 4 -6.428 -27.279 6.091 35 HA3 GLY 4 HA1 GLY 4 -8.047 -27.517 6.735 36 H ARG 5 HN ARG 5 -7.277 -28.384 9.324 37 HA ARG 5 HA ARG 5 -6.784 -25.839 10.538 38 HB2 ARG 5 HB2 ARG 5 -7.026 -27.094 12.680 39 HB3 ARG 5 HB1 ARG 5 -8.387 -27.267 11.586 40 HG2 ARG 5 HG2 ARG 5 -8.100 -29.412 12.378 41 HG3 ARG 5 HG1 ARG 5 -7.218 -29.455 10.854 42 HD2 ARG 5 HD2 ARG 5 -5.970 -30.558 12.634 43 HD3 ARG 5 HD1 ARG 5 -5.119 -29.130 12.049 44 HE ARG 5 HE ARG 5 -6.705 -28.412 14.251 45 HH11 ARG 5 HH11 ARG 5 -3.879 -30.346 13.541 46 HH12 ARG 5 HH12 ARG 5 -3.121 -30.030 15.069 47 HH21 ARG 5 HH21 ARG 5 -5.715 -28.006 16.274 48 HH22 ARG 5 HH22 ARG 5 -4.173 -28.717 16.630 49 H TRP 6 HN TRP 6 -4.742 -28.107 9.282 50 HA TRP 6 HA TRP 6 -2.620 -27.682 11.255 51 HB2 TRP 6 HB2 TRP 6 -3.041 -29.978 10.374 52 HB3 TRP 6 HB1 TRP 6 -2.623 -29.408 8.765 53 HD1 TRP 6 HD1 TRP 6 -0.011 -28.851 8.307 54 HE1 TRP 6 HE1 TRP 6 2.123 -29.706 9.461 55 HE3 TRP 6 HE3 TRP 6 -2.093 -30.692 12.603 56 HZ2 TRP 6 HZ2 TRP 6 2.828 -30.993 11.872 57 HZ3 TRP 6 HZ3 TRP 6 -0.616 -31.722 14.279 58 HH2 TRP 6 HH2 TRP 6 1.793 -31.870 13.920 59 H LYS 7 HN LYS 7 -3.518 -26.996 7.936 60 HA LYS 7 HA LYS 7 -1.031 -25.621 7.379 61 HB2 LYS 7 HB2 LYS 7 -3.559 -25.898 5.745 62 HB3 LYS 7 HB1 LYS 7 -2.076 -25.143 5.185 63 HG2 LYS 7 HG2 LYS 7 -0.890 -27.255 5.421 64 HG3 LYS 7 HG1 LYS 7 -2.358 -28.020 6.028 65 HD2 LYS 7 HD2 LYS 7 -2.126 -28.596 3.718 66 HD3 LYS 7 HD1 LYS 7 -3.461 -27.454 3.860 67 HE2 LYS 7 HE2 LYS 7 -2.095 -26.894 1.943 68 HE3 LYS 7 HE1 LYS 7 -1.952 -25.635 3.167 69 HZ1 LYS 7 HZ1 LYS 7 0.160 -26.567 3.846 70 HZ2 LYS 7 HZ2 LYS 7 0.190 -26.218 2.193 71 HZ3 LYS 7 HZ3 LYS 7 0.015 -27.816 2.716 72 H VAL 8 HN VAL 8 -3.159 -24.768 9.414 73 HA VAL 8 HA VAL 8 -4.182 -22.269 8.530 74 HB VAL 8 HB VAL 8 -5.146 -23.611 10.413 75 HG11 VAL 8 HG11 VAL 8 -3.085 -24.244 11.532 76 HG12 VAL 8 HG12 VAL 8 -4.161 -23.395 12.642 77 HG13 VAL 8 HG13 VAL 8 -2.774 -22.558 11.946 78 HG21 VAL 8 HG21 VAL 8 -5.821 -21.318 10.115 79 HG22 VAL 8 HG22 VAL 8 -4.412 -20.751 11.009 80 HG23 VAL 8 HG23 VAL 8 -5.672 -21.663 11.838 81 H ARG 9 HN ARG 9 -1.103 -23.299 9.592 82 HA ARG 9 HA ARG 9 -0.121 -20.936 10.750 83 HB2 ARG 9 HB2 ARG 9 1.024 -23.082 10.978 84 HB3 ARG 9 HB1 ARG 9 1.324 -23.127 9.247 85 HG2 ARG 9 HG2 ARG 9 2.718 -21.150 9.437 86 HG3 ARG 9 HG1 ARG 9 2.433 -21.104 11.174 87 HD2 ARG 9 HD2 ARG 9 4.558 -22.134 10.802 88 HD3 ARG 9 HD1 ARG 9 3.430 -23.382 11.328 89 HE ARG 9 HE ARG 9 3.655 -23.142 8.466 90 HH11 ARG 9 HH11 ARG 9 4.966 -24.642 11.343 91 HH12 ARG 9 HH12 ARG 9 5.713 -25.946 10.476 92 HH21 ARG 9 HH21 ARG 9 4.653 -24.854 7.323 93 HH22 ARG 9 HH22 ARG 9 5.549 -26.060 8.195 94 H ALA 10 HN ALA 10 -0.520 -22.005 7.449 95 HA ALA 10 HA ALA 10 1.009 -20.007 6.175 96 HB1 ALA 10 HB1 ALA 10 -0.273 -20.566 4.168 97 HB2 ALA 10 HB2 ALA 10 -1.414 -21.486 5.149 98 HB3 ALA 10 HB3 ALA 10 0.262 -22.018 5.012 99 H SER 11 HN SER 11 -2.254 -20.068 7.450 100 HA SER 11 HA SER 11 -3.154 -17.664 6.260 101 HB2 SER 11 HB2 SER 11 -4.057 -18.898 8.873 102 HB3 SER 11 HB1 SER 11 -4.958 -17.747 7.887 103 HG SER 11 HG SER 11 -5.529 -20.033 7.645 104 H PHE 12 HN PHE 12 -1.672 -18.388 9.408 105 HA PHE 12 HA PHE 12 -1.652 -15.711 10.330 106 HB2 PHE 12 HB2 PHE 12 -0.004 -18.116 11.104 107 HB3 PHE 12 HB1 PHE 12 0.170 -16.545 11.887 108 HD1 PHE 12 HD1 PHE 12 -1.577 -15.671 13.313 109 HD2 PHE 12 HD2 PHE 12 -1.966 -19.480 11.458 110 HE1 PHE 12 HE1 PHE 12 -3.433 -16.215 14.832 111 HE2 PHE 12 HE2 PHE 12 -3.827 -20.031 12.972 112 HZ PHE 12 HZ PHE 12 -4.563 -18.396 14.661 113 H PHE 13 HN PHE 13 0.581 -17.626 8.433 114 HA PHE 13 HA PHE 13 2.734 -15.809 8.408 115 HB2 PHE 13 HB2 PHE 13 2.922 -18.164 7.702 116 HB3 PHE 13 HB1 PHE 13 1.908 -17.824 6.306 117 HD1 PHE 13 HD1 PHE 13 2.917 -17.313 4.296 118 HD2 PHE 13 HD2 PHE 13 5.070 -16.695 7.914 119 HE1 PHE 13 HE1 PHE 13 4.920 -16.719 2.999 120 HE2 PHE 13 HE2 PHE 13 7.076 -16.099 6.621 121 HZ PHE 13 HZ PHE 13 7.002 -16.111 4.164 122 H LYS 14 HN LYS 14 -0.161 -16.110 6.425 123 HA LYS 14 HA LYS 14 0.534 -14.098 4.551 124 HB2 LYS 14 HB2 LYS 14 -1.249 -15.796 4.173 125 HB3 LYS 14 HB1 LYS 14 -2.232 -14.994 5.391 126 HG2 LYS 14 HG2 LYS 14 -2.293 -12.974 4.037 127 HG3 LYS 14 HG1 LYS 14 -1.274 -13.747 2.823 128 HD2 LYS 14 HD2 LYS 14 -3.019 -15.443 2.461 129 HD3 LYS 14 HD1 LYS 14 -4.038 -14.636 3.655 130 HE2 LYS 14 HE2 LYS 14 -4.013 -12.602 2.273 131 HE3 LYS 14 HE1 LYS 14 -3.035 -13.443 1.072 132 HZ1 LYS 14 HZ1 LYS 14 -4.840 -14.990 0.718 133 HZ2 LYS 14 HZ2 LYS 14 -5.380 -13.406 0.478 134 HZ3 LYS 14 HZ3 LYS 14 -5.774 -14.227 1.901 135 H GLU 15 HN GLU 15 -1.360 -14.083 7.550 136 HA GLU 15 HA GLU 15 -2.003 -11.335 7.527 137 HB2 GLU 15 HB2 GLU 15 -1.771 -13.331 9.777 138 HB3 GLU 15 HB1 GLU 15 -2.319 -11.679 10.018 139 HG2 GLU 15 HG2 GLU 15 -3.628 -13.729 8.248 140 HG3 GLU 15 HG1 GLU 15 -4.187 -13.223 9.843 141 H ALA 16 HN ALA 16 0.845 -13.064 8.477 142 HA ALA 16 HA ALA 16 1.997 -11.062 10.112 143 HB1 ALA 16 HB1 ALA 16 2.630 -13.451 10.182 144 HB2 ALA 16 HB2 ALA 16 4.014 -12.373 9.996 145 HB3 ALA 16 HB3 ALA 16 3.397 -13.263 8.604 146 H ALA 17 HN ALA 17 2.536 -11.984 6.715 147 HA ALA 17 HA ALA 17 4.266 -9.653 6.370 148 HB1 ALA 17 HB1 ALA 17 4.874 -10.640 4.233 149 HB2 ALA 17 HB2 ALA 17 3.655 -11.895 4.448 150 HB3 ALA 17 HB3 ALA 17 5.045 -11.821 5.530 151 H ALA 18 HN ALA 18 1.136 -9.891 6.454 152 HA ALA 18 HA ALA 18 0.093 -9.169 3.980 153 HB1 ALA 18 HB1 ALA 18 -1.283 -9.901 5.864 154 HB2 ALA 18 HB2 ALA 18 -1.855 -8.372 5.197 155 HB3 ALA 18 HB3 ALA 18 -0.936 -8.389 6.702 156 H LYS 19 HN LYS 19 1.090 -7.080 6.675 157 HA LYS 19 HA LYS 19 0.473 -4.620 5.545 158 HB2 LYS 19 HB2 LYS 19 1.121 -4.947 7.899 159 HB3 LYS 19 HB1 LYS 19 2.770 -5.289 7.397 160 HG2 LYS 19 HG2 LYS 19 2.942 -3.008 6.488 161 HG3 LYS 19 HG1 LYS 19 1.308 -2.677 7.068 162 HD2 LYS 19 HD2 LYS 19 2.070 -3.206 9.368 163 HD3 LYS 19 HD1 LYS 19 3.710 -3.394 8.747 164 HE2 LYS 19 HE2 LYS 19 3.434 -1.189 9.712 165 HE3 LYS 19 HE1 LYS 19 3.666 -1.063 7.970 166 HZ1 LYS 19 HZ1 LYS 19 1.306 -0.750 7.692 167 HZ2 LYS 19 HZ2 LYS 19 1.899 0.392 8.788 168 HZ3 LYS 19 HZ3 LYS 19 1.042 -0.950 9.349 169 H GLU 20 HN GLU 20 3.391 -6.573 5.224 170 HA GLU 20 HA GLU 20 4.891 -4.641 3.784 171 HB2 GLU 20 HB2 GLU 20 5.968 -6.463 5.004 172 HB3 GLU 20 HB1 GLU 20 5.196 -7.645 3.958 173 HG2 GLU 20 HG2 GLU 20 7.520 -7.314 3.344 174 HG3 GLU 20 HG1 GLU 20 6.439 -6.791 2.051 175 H ALA 21 HN ALA 21 3.106 -7.542 2.781 176 HA ALA 21 HA ALA 21 3.736 -7.191 0.023 177 HB1 ALA 21 HB1 ALA 21 1.660 -8.953 1.312 178 HB2 ALA 21 HB2 ALA 21 3.344 -9.386 1.010 179 HB3 ALA 21 HB3 ALA 21 2.253 -9.082 -0.345 180 H ALA 22 HN ALA 22 1.316 -5.885 2.070 181 HA ALA 22 HA ALA 22 -0.764 -5.406 0.268 182 HB1 ALA 22 HB1 ALA 22 -0.975 -5.018 2.672 183 HB2 ALA 22 HB2 ALA 22 -1.425 -3.582 1.753 184 HB3 ALA 22 HB3 ALA 22 0.143 -3.660 2.554 185 H ALA 23 HN ALA 23 2.243 -3.676 0.829 186 HA ALA 23 HA ALA 23 1.693 -1.442 -0.801 187 HB1 ALA 23 HB1 ALA 23 4.342 -2.693 -0.081 188 HB2 ALA 23 HB2 ALA 23 3.506 -1.425 0.814 189 HB3 ALA 23 HB3 ALA 23 4.127 -1.099 -0.802 190 H LYS 24 HN LYS 24 3.018 -4.629 -1.449 191 HA LYS 24 HA LYS 24 3.773 -4.134 -4.136 192 HB2 LYS 24 HB2 LYS 24 4.668 -6.015 -2.814 193 HB3 LYS 24 HB1 LYS 24 3.072 -6.750 -2.786 194 HG2 LYS 24 HG2 LYS 24 4.508 -7.806 -4.437 195 HG3 LYS 24 HG1 LYS 24 3.134 -7.009 -5.206 196 HD2 LYS 24 HD2 LYS 24 4.556 -5.096 -5.756 197 HD3 LYS 24 HD1 LYS 24 5.926 -5.890 -4.979 198 HE2 LYS 24 HE2 LYS 24 5.802 -7.706 -6.598 199 HE3 LYS 24 HE1 LYS 24 4.406 -6.945 -7.359 200 HZ1 LYS 24 HZ1 LYS 24 7.097 -5.713 -7.168 201 HZ2 LYS 24 HZ2 LYS 24 5.761 -5.088 -7.993 202 HZ3 LYS 24 HZ3 LYS 24 6.500 -6.508 -8.534 203 H GLY 25 HN GLY 25 1.038 -6.042 -2.848 204 HA2 GLY 25 HA2 GLY 25 -0.927 -4.752 -4.355 205 HA3 GLY 25 HA1 GLY 25 -0.370 -6.125 -5.298 206 H PHE 26 HN PHE 26 -0.423 -6.184 -1.833 207 HA PHE 26 HA PHE 26 -2.618 -8.130 -1.963 208 HB2 PHE 26 HB2 PHE 26 -0.326 -7.841 -0.028 209 HB3 PHE 26 HB1 PHE 26 -1.736 -8.829 0.337 210 HD1 PHE 26 HD1 PHE 26 -1.773 -11.042 -0.305 211 HD2 PHE 26 HD2 PHE 26 0.885 -8.365 -2.271 212 HE1 PHE 26 HE1 PHE 26 -0.777 -12.931 -1.523 213 HE2 PHE 26 HE2 PHE 26 1.889 -10.251 -3.490 214 HZ PHE 26 HZ PHE 26 1.057 -12.537 -3.118 215 H ALA 27 HN ALA 27 -2.754 -5.192 -1.848 216 HA ALA 27 HA ALA 27 -3.926 -4.595 0.725 217 HB1 ALA 27 HB1 ALA 27 -2.721 -2.856 -0.515 218 HB2 ALA 27 HB2 ALA 27 -4.403 -2.402 -0.242 219 HB3 ALA 27 HB3 ALA 27 -3.892 -2.979 -1.827 220 H TRP 28 HN TRP 28 -5.331 -6.565 0.330 221 HA TRP 28 HA TRP 28 -7.489 -6.279 -1.557 222 HB2 TRP 28 HB2 TRP 28 -6.809 -8.347 0.518 223 HB3 TRP 28 HB1 TRP 28 -8.301 -8.395 -0.410 224 HD1 TRP 28 HD1 TRP 28 -4.691 -7.690 -1.665 225 HE1 TRP 28 HE1 TRP 28 -4.168 -9.359 -3.553 226 HE3 TRP 28 HE3 TRP 28 -9.004 -10.434 -1.539 227 HZ2 TRP 28 HZ2 TRP 28 -5.419 -11.549 -4.818 228 HZ3 TRP 28 HZ3 TRP 28 -9.259 -12.299 -3.120 229 HH2 TRP 28 HH2 TRP 28 -7.502 -12.842 -4.725 230 H ASN 29 HN ASN 29 -7.748 -4.139 -0.191 231 HA ASN 29 HA ASN 29 -9.868 -4.625 1.785 232 HB2 ASN 29 HB2 ASN 29 -8.168 -2.144 1.404 233 HB3 ASN 29 HB1 ASN 29 -9.489 -2.299 2.552 234 HD21 ASN 29 HD21 ASN 29 -9.190 -3.413 4.431 235 HD22 ASN 29 HD22 ASN 29 -7.652 -4.006 4.946 236 H VAL 30 HN VAL 30 -11.852 -3.921 1.417 237 HA VAL 30 HA VAL 30 -12.477 -2.896 -1.221 238 HB VAL 30 HB VAL 30 -14.380 -3.607 1.018 239 HG11 VAL 30 HG11 VAL 30 -16.013 -3.884 -0.782 240 HG12 VAL 30 HG12 VAL 30 -14.803 -3.371 -1.957 241 HG13 VAL 30 HG13 VAL 30 -15.370 -2.243 -0.725 242 HG21 VAL 30 HG21 VAL 30 -13.360 -5.379 -1.200 243 HG22 VAL 30 HG22 VAL 30 -14.638 -5.790 -0.054 244 HG23 VAL 30 HG23 VAL 30 -12.990 -5.536 0.517 245 H CYS 31 HN CYS 31 -12.008 -0.790 -1.284 246 HA CYS 31 HA CYS 31 -12.844 0.958 0.881 247 HB2 CYS 31 HB2 CYS 31 -11.702 2.697 -0.674 248 HB3 CYS 31 HB1 CYS 31 -10.715 1.548 0.216 249 HG CYS 31 HG CYS 31 -9.587 0.430 -1.821 250 H VAL 32 HN VAL 32 -14.737 1.946 0.880 251 HA VAL 32 HA VAL 32 -15.839 2.778 -1.730 252 HB VAL 32 HB VAL 32 -18.080 2.184 -1.172 253 HG11 VAL 32 HG11 VAL 32 -16.302 -0.143 -0.469 254 HG12 VAL 32 HG12 VAL 32 -16.759 0.363 -2.093 255 HG13 VAL 32 HG13 VAL 32 -17.985 -0.246 -0.985 256 HG21 VAL 32 HG21 VAL 32 -17.926 2.720 1.241 257 HG22 VAL 32 HG22 VAL 32 -17.131 1.164 1.495 258 HG23 VAL 32 HG23 VAL 32 -18.788 1.220 0.902 259 H TYR 33 HN TYR 33 -17.300 4.610 -1.564 260 HA TYR 33 HA TYR 33 -16.407 6.383 0.567 261 HB2 TYR 33 HB2 TYR 33 -18.000 7.011 -1.928 262 HB3 TYR 33 HB1 TYR 33 -17.349 8.191 -0.794 263 HD1 TYR 33 HD1 TYR 33 -16.787 6.767 -3.888 264 HD2 TYR 33 HD2 TYR 33 -14.705 7.730 -0.304 265 HE1 TYR 33 HE1 TYR 33 -14.667 6.778 -5.125 266 HE2 TYR 33 HE2 TYR 33 -12.581 7.742 -1.533 267 HH TYR 33 HH TYR 33 -12.438 7.688 -4.954 268 H ARG 34 HN ARG 34 -17.529 5.724 2.296 269 HA ARG 34 HA ARG 34 -20.441 5.515 2.130 270 HB2 ARG 34 HB2 ARG 34 -19.017 3.707 3.193 271 HB3 ARG 34 HB1 ARG 34 -18.633 4.860 4.462 272 HG2 ARG 34 HG2 ARG 34 -20.362 3.554 5.323 273 HG3 ARG 34 HG1 ARG 34 -21.134 5.059 4.828 274 HD2 ARG 34 HD2 ARG 34 -21.709 3.924 2.659 275 HD3 ARG 34 HD1 ARG 34 -21.145 2.419 3.384 276 HE ARG 34 HE ARG 34 -23.197 3.902 4.826 277 HH11 ARG 34 HH11 ARG 34 -22.385 1.187 2.769 278 HH12 ARG 34 HH12 ARG 34 -23.899 0.383 3.021 279 HH21 ARG 34 HH21 ARG 34 -25.187 2.844 5.155 280 HH22 ARG 34 HH22 ARG 34 -25.490 1.322 4.379 281 H ASN 35 HN ASN 35 -21.279 7.513 2.256 282 HA ASN 35 HA ASN 35 -21.867 9.551 3.062 283 HB2 ASN 35 HB2 ASN 35 -22.211 8.144 5.148 284 HB3 ASN 35 HB1 ASN 35 -20.626 8.682 5.682 285 HD21 ASN 35 HD21 ASN 35 -20.358 10.759 6.408 286 HD22 ASN 35 HD22 ASN 35 -21.691 11.816 6.740 287 H GLY 36 HN GLY 36 -19.508 9.390 1.637 288 HA2 GLY 36 HA2 GLY 36 -17.937 10.994 1.043 289 HA3 GLY 36 HA1 GLY 36 -18.228 11.810 2.571 290 H VAL 37 HN VAL 37 -17.770 9.007 3.843 291 HA VAL 37 HA VAL 37 -14.868 9.387 4.053 292 HB VAL 37 HB VAL 37 -16.594 7.620 5.779 293 HG11 VAL 37 HG11 VAL 37 -13.856 8.805 6.195 294 HG12 VAL 37 HG12 VAL 37 -14.231 7.111 5.876 295 HG13 VAL 37 HG13 VAL 37 -14.749 7.860 7.386 296 HG21 VAL 37 HG21 VAL 37 -15.811 10.491 6.261 297 HG22 VAL 37 HG22 VAL 37 -16.621 9.438 7.419 298 HG23 VAL 37 HG23 VAL 37 -17.437 9.898 5.926 299 H ARG 38 HN ARG 38 -13.463 7.945 3.350 300 HA ARG 38 HA ARG 38 -14.447 5.775 1.714 301 HB2 ARG 38 HB2 ARG 38 -12.672 7.255 0.891 302 HB3 ARG 38 HB1 ARG 38 -11.642 6.765 2.225 303 HG2 ARG 38 HG2 ARG 38 -11.835 4.405 1.330 304 HG3 ARG 38 HG1 ARG 38 -12.556 5.123 -0.114 305 HD2 ARG 38 HD2 ARG 38 -10.174 4.801 -0.440 306 HD3 ARG 38 HD1 ARG 38 -10.560 6.521 -0.393 307 HE ARG 38 HE ARG 38 -9.702 5.286 2.101 308 HH11 ARG 38 HH11 ARG 38 -8.873 7.251 -0.676 309 HH12 ARG 38 HH12 ARG 38 -7.475 7.946 0.083 310 HH21 ARG 38 HH21 ARG 38 -7.881 6.208 3.099 311 HH22 ARG 38 HH22 ARG 38 -6.919 7.364 2.234 312 H VAL 39 HN VAL 39 -15.086 4.086 2.940 313 HA VAL 39 HA VAL 39 -13.447 3.151 5.138 314 HB VAL 39 HB VAL 39 -15.236 1.804 5.742 315 HG11 VAL 39 HG11 VAL 39 -15.828 4.127 5.980 316 HG12 VAL 39 HG12 VAL 39 -17.262 3.177 5.576 317 HG13 VAL 39 HG13 VAL 39 -16.462 4.142 4.333 318 HG21 VAL 39 HG21 VAL 39 -15.524 0.602 3.645 319 HG22 VAL 39 HG22 VAL 39 -16.341 2.006 2.960 320 HG23 VAL 39 HG23 VAL 39 -17.078 1.123 4.296 321 H CYS 40 HN CYS 40 -12.356 1.232 5.157 322 HA CYS 40 HA CYS 40 -12.236 -0.239 2.621 323 HB2 CYS 40 HB2 CYS 40 -9.808 0.430 4.261 324 HB3 CYS 40 HB1 CYS 40 -9.846 -0.304 2.670 325 HG CYS 40 HG CYS 40 -8.889 2.176 2.162 326 H HIS 41 HN HIS 41 -12.898 -2.206 3.098 327 HA HIS 41 HA HIS 41 -12.006 -3.404 5.632 328 HB2 HIS 41 HB2 HIS 41 -14.018 -4.911 5.446 329 HB3 HIS 41 HB1 HIS 41 -14.334 -3.242 5.855 330 HD1 HIS 41 HD1 HIS 41 -15.507 -5.871 3.767 331 HD2 HIS 41 HD2 HIS 41 -15.195 -1.749 3.355 332 HE1 HIS 41 HE1 HIS 41 -17.079 -5.259 1.911 333 HE2 HIS 41 HE2 HIS 41 -17.062 -2.742 1.873 334 H ARG 42 HN ARG 42 -11.196 -5.364 5.660 335 HA ARG 42 HA ARG 42 -9.838 -6.232 3.342 336 HB2 ARG 42 HB2 ARG 42 -9.210 -8.221 4.747 337 HB3 ARG 42 HB1 ARG 42 -8.826 -6.659 5.453 338 HG2 ARG 42 HG2 ARG 42 -10.808 -6.816 6.878 339 HG3 ARG 42 HG1 ARG 42 -11.187 -8.386 6.169 340 HD2 ARG 42 HD2 ARG 42 -8.660 -7.722 7.677 341 HD3 ARG 42 HD1 ARG 42 -10.048 -8.575 8.350 342 HE ARG 42 HE ARG 42 -9.485 -10.129 6.280 343 HH11 ARG 42 HH11 ARG 42 -7.342 -8.715 8.662 344 HH12 ARG 42 HH12 ARG 42 -6.157 -9.984 8.535 345 HH21 ARG 42 HH21 ARG 42 -7.940 -11.801 6.128 346 HH22 ARG 42 HH22 ARG 42 -6.485 -11.719 7.080 347 H ARG 43 HN ARG 43 -10.332 -7.628 1.792 348 HA ARG 43 HA ARG 43 -12.971 -8.448 1.367 349 HB2 ARG 43 HB2 ARG 43 -10.428 -9.461 0.110 350 HB3 ARG 43 HB1 ARG 43 -12.035 -9.846 -0.468 351 HG2 ARG 43 HG2 ARG 43 -12.435 -7.471 -0.909 352 HG3 ARG 43 HG1 ARG 43 -10.788 -7.108 -0.380 353 HD2 ARG 43 HD2 ARG 43 -9.931 -8.607 -2.147 354 HD3 ARG 43 HD1 ARG 43 -11.583 -8.865 -2.699 355 HE ARG 43 HE ARG 43 -11.129 -6.117 -2.695 356 HH11 ARG 43 HH11 ARG 43 -9.978 -8.971 -4.351 357 HH12 ARG 43 HH12 ARG 43 -9.547 -8.124 -5.798 358 HH21 ARG 43 HH21 ARG 43 -10.567 -4.987 -4.603 359 HH22 ARG 43 HH22 ARG 43 -9.876 -5.851 -5.940 360 H ALA 44 HN ALA 44 -14.013 -10.292 1.637 361 HA ALA 44 HA ALA 44 -12.762 -12.285 3.389 362 HB1 ALA 44 HB1 ALA 44 -15.046 -12.956 3.973 363 HB2 ALA 44 HB2 ALA 44 -15.682 -11.751 2.855 364 HB3 ALA 44 HB3 ALA 44 -14.777 -11.241 4.278 365 H ASN 45 HN ASN 45 -11.667 -13.380 1.745 366 HA ASN 45 HA ASN 45 -13.352 -14.769 -0.221 367 HB2 ASN 45 HB2 ASN 45 -10.385 -14.181 -0.228 368 HB3 ASN 45 HB1 ASN 45 -11.174 -15.228 -1.400 369 HD21 ASN 45 HD21 ASN 45 -10.651 -13.948 -3.123 370 HD22 ASN 45 HD22 ASN 45 -11.384 -12.408 -3.409
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