NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6789 | 1jjg | 5077 | cing | recoord | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -13.673 -47.266 -70.992 2 2H MET 1 2H MET 1 -13.229 -48.509 -69.922 3 3H MET 1 3H MET 1 -12.339 -48.252 -71.347 4 HA MET 1 HA MET 1 -12.143 -45.841 -70.219 5 1HB MET 1 2HB MET 1 -13.166 -47.513 -68.196 6 2HB MET 1 1HB MET 1 -11.451 -47.327 -67.832 7 1HG MET 1 2HG MET 1 -13.052 -44.908 -68.597 8 2HG MET 1 1HG MET 1 -13.176 -45.539 -66.955 9 1HE MET 1 1HE MET 1 -11.463 -42.500 -68.232 10 2HE MET 1 2HE MET 1 -11.640 -43.715 -69.496 11 3HE MET 1 3HE MET 1 -10.031 -43.186 -69.012 12 H THR 2 H THR 2 -10.508 -46.432 -71.901 13 HA THR 2 HA THR 2 -8.382 -48.294 -71.220 14 HB THR 2 HB THR 2 -8.010 -46.089 -73.219 15 HG1 THR 2 HG1 THR 2 -9.729 -48.327 -73.476 16 1HG2 THR 2 1HG2 THR 2 -6.248 -47.777 -72.861 17 2HG2 THR 2 2HG2 THR 2 -6.942 -47.921 -74.475 18 3HG2 THR 2 3HG2 THR 2 -7.407 -49.061 -73.212 19 H VAL 3 H VAL 3 -7.488 -47.637 -69.226 20 HA VAL 3 HA VAL 3 -6.592 -44.864 -68.867 21 HB VAL 3 HB VAL 3 -5.728 -47.099 -67.064 22 1HG1 VAL 3 1HG1 VAL 3 -5.349 -45.379 -65.652 23 2HG1 VAL 3 2HG1 VAL 3 -6.968 -44.730 -65.911 24 3HG1 VAL 3 3HG1 VAL 3 -5.660 -44.302 -67.014 25 1HG2 VAL 3 1HG2 VAL 3 -8.123 -46.435 -65.976 26 2HG2 VAL 3 2HG2 VAL 3 -7.904 -47.825 -67.040 27 3HG2 VAL 3 3HG2 VAL 3 -8.524 -46.307 -67.689 28 H ILE 4 H ILE 4 -4.719 -44.186 -69.772 29 HA ILE 4 HA ILE 4 -2.546 -46.201 -70.178 30 HB ILE 4 HB ILE 4 -2.918 -43.550 -71.602 31 1HG1 ILE 4 2HG1 ILE 4 -3.293 -45.689 -73.386 32 2HG1 ILE 4 1HG1 ILE 4 -4.237 -46.114 -71.958 33 1HG2 ILE 4 1HG2 ILE 4 -1.204 -44.358 -73.091 34 2HG2 ILE 4 2HG2 ILE 4 -1.218 -45.949 -72.329 35 3HG2 ILE 4 3HG2 ILE 4 -0.599 -44.554 -71.446 36 1HD1 ILE 4 1HD1 ILE 4 -4.805 -43.435 -72.251 37 2HD1 ILE 4 2HD1 ILE 4 -5.825 -44.752 -72.831 38 3HD1 ILE 4 3HD1 ILE 4 -4.682 -43.974 -73.926 39 H LYS 5 H LYS 5 -2.700 -42.636 -69.876 40 HA LYS 5 HA LYS 5 -0.509 -42.853 -67.848 41 1HB LYS 5 2HB LYS 5 0.285 -41.813 -69.923 42 2HB LYS 5 1HB LYS 5 -1.040 -40.651 -69.866 43 1HG LYS 5 2HG LYS 5 -0.082 -40.132 -67.464 44 2HG LYS 5 1HG LYS 5 1.397 -40.828 -68.127 45 1HD LYS 5 2HD LYS 5 0.810 -39.215 -70.167 46 2HD LYS 5 1HD LYS 5 -0.030 -38.320 -68.901 47 1HE LYS 5 2HE LYS 5 2.859 -39.215 -68.702 48 2HE LYS 5 1HE LYS 5 2.360 -37.606 -69.225 49 1HZ LYS 5 1HZ LYS 5 2.764 -38.407 -66.649 50 2HZ LYS 5 2HZ LYS 5 1.072 -38.406 -66.804 51 3HZ LYS 5 3HZ LYS 5 1.959 -36.998 -67.141 52 HA PRO 6 HA PRO 6 -4.112 -40.912 -65.780 53 1HB PRO 6 2HB PRO 6 -3.869 -42.412 -63.490 54 2HB PRO 6 1HB PRO 6 -4.804 -42.929 -64.905 55 1HG PRO 6 2HG PRO 6 -2.147 -43.894 -63.957 56 2HG PRO 6 1HG PRO 6 -3.366 -44.738 -64.925 57 1HD PRO 6 2HD PRO 6 -0.994 -43.542 -65.913 58 2HD PRO 6 1HD PRO 6 -2.367 -44.107 -66.889 59 H SER 7 H SER 7 -3.915 -39.182 -64.346 60 HA SER 7 HA SER 7 -1.209 -38.754 -63.158 61 1HB SER 7 2HB SER 7 -2.661 -36.381 -62.918 62 2HB SER 7 1HB SER 7 -1.439 -36.733 -64.136 63 HG SER 7 HG SER 7 -3.138 -37.629 -65.414 64 H SER 8 H SER 8 -1.235 -39.510 -61.072 65 HA SER 8 HA SER 8 -3.143 -38.303 -59.196 66 1HB SER 8 2HB SER 8 -3.348 -40.951 -58.422 67 2HB SER 8 1HB SER 8 -4.585 -40.045 -59.288 68 HG SER 8 HG SER 8 -3.828 -42.090 -60.255 69 H ARG 9 H ARG 9 -0.957 -37.473 -58.576 70 HA ARG 9 HA ARG 9 0.958 -39.374 -57.443 71 1HB ARG 9 2HB ARG 9 0.802 -36.344 -57.319 72 2HB ARG 9 1HB ARG 9 2.145 -37.301 -56.694 73 1HG ARG 9 2HG ARG 9 2.584 -38.201 -58.928 74 2HG ARG 9 1HG ARG 9 1.194 -37.327 -59.575 75 1HD ARG 9 2HD ARG 9 2.720 -35.709 -60.057 76 2HD ARG 9 1HD ARG 9 2.565 -35.302 -58.348 77 HE ARG 9 HE ARG 9 4.671 -37.201 -59.298 78 1HH1 ARG 9 2HH1 ARG 9 3.681 -35.711 -56.546 79 2HH1 ARG 9 1HH1 ARG 9 5.151 -34.852 -56.228 80 1HH2 ARG 9 1HH2 ARG 9 6.542 -35.549 -59.326 81 2HH2 ARG 9 2HH2 ARG 9 6.771 -34.761 -57.800 82 HA PRO 10 HA PRO 10 -0.754 -39.478 -53.397 83 1HB PRO 10 2HB PRO 10 1.524 -40.147 -52.009 84 2HB PRO 10 1HB PRO 10 0.617 -41.292 -53.014 85 1HG PRO 10 2HG PRO 10 3.221 -39.950 -53.582 86 2HG PRO 10 1HG PRO 10 2.600 -41.497 -54.183 87 1HD PRO 10 2HD PRO 10 2.646 -39.061 -55.623 88 2HD PRO 10 1HD PRO 10 1.733 -40.520 -56.067 89 H ARG 11 H ARG 11 -1.060 -38.004 -51.711 90 HA ARG 11 HA ARG 11 1.083 -36.084 -51.046 91 1HB ARG 11 2HB ARG 11 -0.570 -35.276 -52.986 92 2HB ARG 11 1HB ARG 11 -1.593 -34.878 -51.605 93 1HG ARG 11 2HG ARG 11 0.739 -33.871 -50.709 94 2HG ARG 11 1HG ARG 11 1.003 -33.691 -52.443 95 1HD ARG 11 2HD ARG 11 -1.556 -32.789 -52.237 96 2HD ARG 11 1HD ARG 11 -0.911 -32.292 -50.672 97 HE ARG 11 HE ARG 11 1.004 -31.510 -52.569 98 1HH1 ARG 11 2HH1 ARG 11 -0.634 -29.709 -50.702 99 2HH1 ARG 11 1HH1 ARG 11 -1.385 -28.650 -51.850 100 1HH2 ARG 11 1HH2 ARG 11 -0.690 -30.682 -54.574 101 2HH2 ARG 11 2HH2 ARG 11 -1.414 -29.201 -54.044 102 HA PRO 12 HA PRO 12 -1.682 -37.394 -47.553 103 1HB PRO 12 2HB PRO 12 0.278 -38.685 -46.118 104 2HB PRO 12 1HB PRO 12 -0.750 -39.490 -47.315 105 1HG PRO 12 2HG PRO 12 2.113 -38.689 -47.538 106 2HG PRO 12 1HG PRO 12 1.242 -39.982 -48.378 107 1HD PRO 12 2HD PRO 12 1.921 -37.458 -49.469 108 2HD PRO 12 1HD PRO 12 0.783 -38.628 -50.170 109 H ARG 13 H ARG 13 -1.913 -35.492 -46.414 110 HA ARG 13 HA ARG 13 0.376 -34.573 -44.777 111 1HB ARG 13 2HB ARG 13 -0.083 -32.191 -45.494 112 2HB ARG 13 1HB ARG 13 0.635 -33.203 -46.747 113 1HG ARG 13 2HG ARG 13 -1.212 -33.086 -48.060 114 2HG ARG 13 1HG ARG 13 -2.305 -33.298 -46.693 115 1HD ARG 13 2HD ARG 13 -1.661 -30.874 -46.056 116 2HD ARG 13 1HD ARG 13 -1.037 -30.754 -47.701 117 HE ARG 13 HE ARG 13 -3.559 -31.708 -48.132 118 1HH1 ARG 13 2HH1 ARG 13 -4.374 -30.600 -45.481 119 2HH1 ARG 13 1HH1 ARG 13 -4.866 -28.991 -45.888 120 1HH2 ARG 13 1HH2 ARG 13 -3.290 -29.007 -48.978 121 2HH2 ARG 13 2HH2 ARG 13 -4.253 -28.089 -47.869 122 H LYS 14 H LYS 14 -1.307 -35.665 -43.296 123 HA LYS 14 HA LYS 14 -3.728 -34.078 -42.778 124 1HB LYS 14 2HB LYS 14 -2.546 -36.453 -41.300 125 2HB LYS 14 1HB LYS 14 -4.127 -35.739 -40.979 126 1HG LYS 14 2HG LYS 14 -4.984 -37.095 -42.560 127 2HG LYS 14 1HG LYS 14 -4.061 -36.189 -43.758 128 1HD LYS 14 2HD LYS 14 -2.723 -37.961 -44.114 129 2HD LYS 14 1HD LYS 14 -2.297 -38.009 -42.403 130 1HE LYS 14 2HE LYS 14 -4.982 -39.008 -42.777 131 2HE LYS 14 1HE LYS 14 -3.861 -39.882 -43.821 132 1HZ LYS 14 1HZ LYS 14 -2.646 -40.635 -42.046 133 2HZ LYS 14 2HZ LYS 14 -4.210 -40.638 -41.383 134 3HZ LYS 14 3HZ LYS 14 -3.132 -39.375 -41.019 135 H ASN 15 H ASN 15 -4.136 -33.213 -40.560 136 HA ASN 15 HA ASN 15 -1.596 -32.296 -39.267 137 1HB ASN 15 2HB ASN 15 -2.542 -30.379 -40.346 138 2HB ASN 15 1HB ASN 15 -4.167 -30.788 -39.793 139 1HD2 ASN 15 1HD2 ASN 15 -1.509 -28.823 -39.086 140 2HD2 ASN 15 2HD2 ASN 15 -1.867 -28.486 -37.462 141 H LYS 16 H LYS 16 -1.446 -32.865 -37.152 142 HA LYS 16 HA LYS 16 -3.932 -33.190 -35.565 143 1HB LYS 16 2HB LYS 16 -2.692 -35.348 -34.632 144 2HB LYS 16 1HB LYS 16 -3.723 -35.448 -36.059 145 1HG LYS 16 2HG LYS 16 -1.958 -35.770 -37.476 146 2HG LYS 16 1HG LYS 16 -0.899 -34.695 -36.563 147 1HD LYS 16 2HD LYS 16 -0.111 -37.016 -36.384 148 2HD LYS 16 1HD LYS 16 -0.661 -36.433 -34.813 149 1HE LYS 16 2HE LYS 16 -2.960 -37.452 -35.507 150 2HE LYS 16 1HE LYS 16 -2.015 -38.361 -36.687 151 1HZ LYS 16 1HZ LYS 16 -1.928 -39.755 -34.900 152 2HZ LYS 16 2HZ LYS 16 -1.963 -38.497 -33.759 153 3HZ LYS 16 3HZ LYS 16 -0.533 -38.833 -34.612 154 H ASN 17 H ASN 17 -3.588 -31.879 -33.844 155 HA ASN 17 HA ASN 17 -1.194 -32.214 -32.199 156 1HB ASN 17 2HB ASN 17 -1.592 -29.807 -33.945 157 2HB ASN 17 1HB ASN 17 -0.853 -29.598 -32.358 158 1HD2 ASN 17 1HD2 ASN 17 -0.334 -30.833 -35.593 159 2HD2 ASN 17 2HD2 ASN 17 1.270 -31.334 -35.354 160 H ILE 18 H ILE 18 -2.852 -32.746 -30.642 161 HA ILE 18 HA ILE 18 -4.527 -30.419 -29.791 162 HB ILE 18 HB ILE 18 -5.674 -32.594 -30.458 163 1HG1 ILE 18 2HG1 ILE 18 -7.252 -32.482 -28.594 164 2HG1 ILE 18 1HG1 ILE 18 -6.042 -31.687 -27.586 165 1HG2 ILE 18 1HG2 ILE 18 -4.760 -33.602 -27.772 166 2HG2 ILE 18 2HG2 ILE 18 -3.805 -33.926 -29.218 167 3HG2 ILE 18 3HG2 ILE 18 -5.467 -34.507 -29.109 168 1HD1 ILE 18 1HD1 ILE 18 -7.775 -30.164 -28.720 169 2HD1 ILE 18 2HD1 ILE 18 -6.929 -30.519 -30.226 170 3HD1 ILE 18 3HD1 ILE 18 -6.080 -29.713 -28.907 171 H LYS 19 H LYS 19 -1.901 -32.449 -28.898 172 HA LYS 19 HA LYS 19 -0.728 -32.702 -26.868 173 1HB LYS 19 2HB LYS 19 -0.265 -30.326 -27.500 174 2HB LYS 19 1HB LYS 19 -1.648 -29.833 -26.522 175 1HG LYS 19 2HG LYS 19 -0.481 -31.174 -24.617 176 2HG LYS 19 1HG LYS 19 0.961 -31.032 -25.621 177 1HD LYS 19 2HD LYS 19 -0.147 -28.463 -25.628 178 2HD LYS 19 1HD LYS 19 -0.326 -29.019 -23.963 179 1HE LYS 19 2HE LYS 19 1.926 -29.058 -23.594 180 2HE LYS 19 1HE LYS 19 2.283 -29.621 -25.228 181 1HZ LYS 19 1HZ LYS 19 2.829 -27.179 -24.443 182 2HZ LYS 19 2HZ LYS 19 1.223 -26.915 -24.933 183 3HZ LYS 19 3HZ LYS 19 2.363 -27.521 -26.038 184 H VAL 20 H VAL 20 -2.036 -34.185 -25.726 185 HA VAL 20 HA VAL 20 -3.902 -32.931 -23.751 186 HB VAL 20 HB VAL 20 -5.258 -34.170 -25.306 187 1HG1 VAL 20 1HG1 VAL 20 -4.351 -36.832 -25.096 188 2HG1 VAL 20 2HG1 VAL 20 -2.911 -35.861 -25.399 189 3HG1 VAL 20 3HG1 VAL 20 -4.272 -35.793 -26.519 190 1HG2 VAL 20 1HG2 VAL 20 -5.159 -34.725 -22.604 191 2HG2 VAL 20 2HG2 VAL 20 -5.081 -36.334 -23.321 192 3HG2 VAL 20 3HG2 VAL 20 -6.432 -35.265 -23.698 193 H ASN 21 H ASN 21 -2.449 -32.893 -22.020 194 HA ASN 21 HA ASN 21 -1.732 -35.555 -20.923 195 1HB ASN 21 2HB ASN 21 0.178 -34.259 -22.302 196 2HB ASN 21 1HB ASN 21 0.375 -33.452 -20.745 197 1HD2 ASN 21 1HD2 ASN 21 1.015 -34.783 -18.887 198 2HD2 ASN 21 2HD2 ASN 21 1.667 -36.336 -19.106 199 H THR 22 H THR 22 -2.354 -35.580 -18.817 200 HA THR 22 HA THR 22 -1.961 -33.206 -17.126 201 HB THR 22 HB THR 22 -4.115 -32.611 -17.965 202 HG1 THR 22 HG1 THR 22 -5.264 -32.665 -16.113 203 1HG2 THR 22 1HG2 THR 22 -4.765 -35.541 -17.592 204 2HG2 THR 22 2HG2 THR 22 -4.759 -34.620 -19.097 205 3HG2 THR 22 3HG2 THR 22 -6.000 -34.315 -17.881 206 H TYR 23 H TYR 23 -0.507 -35.057 -16.359 207 HA TYR 23 HA TYR 23 -1.807 -37.293 -15.004 208 1HB TYR 23 2HB TYR 23 0.715 -36.889 -15.974 209 2HB TYR 23 1HB TYR 23 0.968 -36.610 -14.252 210 HD1 TYR 23 HD1 TYR 23 -1.357 -38.914 -16.083 211 HD2 TYR 23 HD2 TYR 23 1.925 -38.540 -13.333 212 HE1 TYR 23 HE1 TYR 23 -1.419 -41.361 -15.676 213 HE2 TYR 23 HE2 TYR 23 1.863 -40.987 -12.926 214 HH TYR 23 HH TYR 23 0.758 -43.115 -14.691 215 H ARG 24 H ARG 24 -3.165 -36.448 -13.391 216 HA ARG 24 HA ARG 24 -3.694 -35.600 -11.269 217 1HB ARG 24 2HB ARG 24 -1.091 -36.742 -11.068 218 2HB ARG 24 1HB ARG 24 -1.077 -35.230 -10.158 219 1HG ARG 24 2HG ARG 24 -1.818 -36.932 -8.638 220 2HG ARG 24 1HG ARG 24 -3.248 -35.995 -9.078 221 1HD ARG 24 2HD ARG 24 -4.113 -37.689 -10.418 222 2HD ARG 24 1HD ARG 24 -2.528 -38.401 -10.716 223 HE ARG 24 HE ARG 24 -2.879 -39.737 -8.816 224 1HH1 ARG 24 2HH1 ARG 24 -5.161 -37.182 -8.958 225 2HH1 ARG 24 1HH1 ARG 24 -5.783 -37.461 -7.366 226 1HH2 ARG 24 1HH2 ARG 24 -3.510 -39.972 -6.627 227 2HH2 ARG 24 2HH2 ARG 24 -4.849 -39.038 -6.047 228 H THR 25 H THR 25 -2.542 -33.725 -9.654 229 HA THR 25 HA THR 25 -3.140 -31.266 -10.778 230 HB THR 25 HB THR 25 -2.639 -31.590 -8.375 231 HG1 THR 25 HG1 THR 25 -1.252 -29.673 -8.210 232 1HG2 THR 25 1HG2 THR 25 -0.475 -32.961 -9.129 233 2HG2 THR 25 2HG2 THR 25 -0.552 -32.144 -7.567 234 3HG2 THR 25 3HG2 THR 25 0.289 -31.385 -8.920 235 H SER 26 H SER 26 -2.039 -29.726 -12.004 236 HA SER 26 HA SER 26 0.786 -29.912 -12.596 237 1HB SER 26 2HB SER 26 -1.189 -30.842 -14.698 238 2HB SER 26 1HB SER 26 0.477 -30.394 -15.053 239 HG SER 26 HG SER 26 -0.066 -32.708 -14.567 240 H ALA 27 H ALA 27 1.322 -28.295 -14.433 241 HA ALA 27 HA ALA 27 1.027 -26.181 -15.435 242 1HB ALA 27 1HB ALA 27 -1.074 -25.615 -16.134 243 2HB ALA 27 2HB ALA 27 -1.779 -25.866 -14.537 244 3HB ALA 27 3HB ALA 27 -1.474 -27.246 -15.592 245 H MET 28 H MET 28 1.186 -24.033 -14.649 246 HA MET 28 HA MET 28 0.138 -22.949 -12.300 247 1HB MET 28 2HB MET 28 2.159 -23.235 -10.751 248 2HB MET 28 1HB MET 28 1.132 -24.656 -10.950 249 1HG MET 28 2HG MET 28 2.827 -25.095 -12.987 250 2HG MET 28 1HG MET 28 3.899 -24.163 -11.943 251 1HE MET 28 1HE MET 28 4.736 -26.940 -12.696 252 2HE MET 28 2HE MET 28 3.077 -27.455 -12.989 253 3HE MET 28 3HE MET 28 4.067 -28.322 -11.817 254 H ASP 29 H ASP 29 1.000 -20.846 -11.926 255 HA ASP 29 HA ASP 29 3.540 -19.929 -12.790 256 1HB ASP 29 2HB ASP 29 1.802 -20.438 -14.959 257 2HB ASP 29 1HB ASP 29 1.849 -18.684 -14.772 258 H LEU 30 H LEU 30 3.839 -17.827 -12.093 259 HA LEU 30 HA LEU 30 1.505 -16.080 -11.642 260 1HB LEU 30 2HB LEU 30 2.348 -17.692 -9.557 261 2HB LEU 30 1HB LEU 30 3.224 -16.191 -9.262 262 HG LEU 30 HG LEU 30 0.807 -15.161 -9.853 263 1HD1 LEU 30 1HD1 LEU 30 -0.353 -17.228 -10.208 264 2HD1 LEU 30 2HD1 LEU 30 -0.869 -16.640 -8.627 265 3HD1 LEU 30 3HD1 LEU 30 0.323 -17.935 -8.741 266 1HD2 LEU 30 1HD2 LEU 30 1.972 -14.606 -7.827 267 2HD2 LEU 30 2HD2 LEU 30 1.809 -16.249 -7.208 268 3HD2 LEU 30 3HD2 LEU 30 0.390 -15.211 -7.339 269 H SER 31 H SER 31 4.155 -16.243 -13.162 270 HA SER 31 HA SER 31 5.854 -14.181 -12.031 271 1HB SER 31 2HB SER 31 5.793 -15.843 -14.467 272 2HB SER 31 1HB SER 31 6.488 -14.241 -14.700 273 HG SER 31 HG SER 31 7.210 -15.800 -12.472 274 HA PRO 32 HA PRO 32 3.678 -10.663 -13.527 275 1HB PRO 32 2HB PRO 32 5.761 -8.871 -13.438 276 2HB PRO 32 1HB PRO 32 4.903 -9.445 -11.997 277 1HG PRO 32 2HG PRO 32 7.620 -10.184 -12.984 278 2HG PRO 32 1HG PRO 32 6.984 -10.202 -11.331 279 1HD PRO 32 2HD PRO 32 7.308 -12.460 -13.005 280 2HD PRO 32 1HD PRO 32 6.376 -12.406 -11.494 281 H GLY 33 H GLY 33 3.940 -8.919 -15.299 282 1HA GLY 33 2HA GLY 33 4.709 -8.229 -17.449 283 2HA GLY 33 1HA GLY 33 5.811 -9.607 -17.468 284 H SER 34 H SER 34 2.486 -10.155 -16.623 285 HA SER 34 HA SER 34 2.094 -11.430 -19.301 286 1HB SER 34 2HB SER 34 0.656 -13.057 -18.201 287 2HB SER 34 1HB SER 34 2.204 -13.009 -17.363 288 HG SER 34 HG SER 34 1.198 -12.347 -15.649 289 H VAL 35 H VAL 35 -0.122 -11.363 -20.140 290 HA VAL 35 HA VAL 35 -1.533 -8.888 -19.266 291 HB VAL 35 HB VAL 35 -2.532 -8.857 -21.470 292 1HG1 VAL 35 1HG1 VAL 35 0.394 -9.193 -21.154 293 2HG1 VAL 35 2HG1 VAL 35 -0.516 -7.860 -21.866 294 3HG1 VAL 35 3HG1 VAL 35 -0.207 -9.319 -22.807 295 1HG2 VAL 35 1HG2 VAL 35 -2.143 -10.656 -23.089 296 2HG2 VAL 35 2HG2 VAL 35 -2.881 -11.321 -21.632 297 3HG2 VAL 35 3HG2 VAL 35 -1.153 -11.525 -21.916 298 H HIS 36 H HIS 36 -3.820 -8.956 -18.908 299 HA HIS 36 HA HIS 36 -5.206 -11.547 -19.019 300 1HB HIS 36 2HB HIS 36 -4.124 -10.404 -16.509 301 2HB HIS 36 1HB HIS 36 -5.802 -10.939 -16.433 302 HD1 HIS 36 HD1 HIS 36 -5.915 -13.430 -18.010 303 HD2 HIS 36 HD2 HIS 36 -2.583 -12.528 -15.673 304 HE1 HIS 36 HE1 HIS 36 -4.739 -15.628 -17.560 305 H GLU 37 H GLU 37 -7.529 -11.278 -18.361 306 HA GLU 37 HA GLU 37 -8.422 -8.493 -18.958 307 1HB GLU 37 2HB GLU 37 -10.695 -9.996 -19.149 308 2HB GLU 37 1HB GLU 37 -9.636 -9.640 -20.511 309 1HG GLU 37 2HG GLU 37 -8.358 -11.746 -19.963 310 2HG GLU 37 1HG GLU 37 -9.610 -12.126 -18.780 311 H GLY 38 H GLY 38 -9.668 -7.401 -17.469 312 1HA GLY 38 2HA GLY 38 -10.822 -8.881 -15.183 313 2HA GLY 38 1HA GLY 38 -9.589 -7.679 -14.800 314 H ILE 39 H ILE 39 -11.905 -7.108 -13.668 315 HA ILE 39 HA ILE 39 -13.471 -5.362 -15.493 316 HB ILE 39 HB ILE 39 -14.011 -5.832 -12.556 317 1HG1 ILE 39 2HG1 ILE 39 -15.296 -7.476 -14.722 318 2HG1 ILE 39 1HG1 ILE 39 -13.737 -7.973 -14.063 319 1HG2 ILE 39 1HG2 ILE 39 -15.805 -5.216 -14.924 320 2HG2 ILE 39 2HG2 ILE 39 -15.253 -4.038 -13.734 321 3HG2 ILE 39 3HG2 ILE 39 -16.321 -5.353 -13.244 322 1HD1 ILE 39 1HD1 ILE 39 -14.617 -8.176 -11.857 323 2HD1 ILE 39 2HD1 ILE 39 -15.804 -8.946 -12.909 324 3HD1 ILE 39 3HD1 ILE 39 -16.097 -7.321 -12.292 325 H VAL 40 H VAL 40 -13.752 -3.092 -14.964 326 HA VAL 40 HA VAL 40 -11.399 -2.016 -13.497 327 HB VAL 40 HB VAL 40 -13.355 -0.652 -15.370 328 1HG1 VAL 40 1HG1 VAL 40 -11.273 1.003 -15.317 329 2HG1 VAL 40 2HG1 VAL 40 -11.047 0.298 -13.717 330 3HG1 VAL 40 3HG1 VAL 40 -12.554 1.121 -14.113 331 1HG2 VAL 40 1HG2 VAL 40 -11.292 -0.600 -16.849 332 2HG2 VAL 40 2HG2 VAL 40 -11.979 -2.205 -16.597 333 3HG2 VAL 40 3HG2 VAL 40 -10.537 -1.714 -15.708 334 H TYR 41 H TYR 41 -11.624 -0.465 -11.853 335 HA TYR 41 HA TYR 41 -14.366 0.171 -10.907 336 1HB TYR 41 2HB TYR 41 -13.623 -1.872 -9.680 337 2HB TYR 41 1HB TYR 41 -12.206 -0.987 -9.115 338 HD1 TYR 41 HD1 TYR 41 -15.894 -0.306 -9.401 339 HD2 TYR 41 HD2 TYR 41 -12.377 -0.208 -6.933 340 HE1 TYR 41 HE1 TYR 41 -17.229 0.645 -7.538 341 HE2 TYR 41 HE2 TYR 41 -13.712 0.744 -5.069 342 HH TYR 41 HH TYR 41 -17.209 1.360 -5.442 343 H PHE 42 H PHE 42 -14.255 1.946 -9.211 344 HA PHE 42 HA PHE 42 -11.780 3.589 -9.567 345 1HB PHE 42 2HB PHE 42 -13.906 4.338 -10.849 346 2HB PHE 42 1HB PHE 42 -14.525 4.799 -9.263 347 HD1 PHE 42 HD1 PHE 42 -13.411 6.556 -7.931 348 HD2 PHE 42 HD2 PHE 42 -12.070 5.537 -11.884 349 HE1 PHE 42 HE1 PHE 42 -12.084 8.651 -8.021 350 HE2 PHE 42 HE2 PHE 42 -10.744 7.633 -11.975 351 HZ PHE 42 HZ PHE 42 -10.752 9.190 -10.044 352 H LYS 43 H LYS 43 -10.936 4.419 -7.697 353 HA LYS 43 HA LYS 43 -12.429 5.092 -5.363 354 1HB LYS 43 2HB LYS 43 -12.181 2.330 -5.651 355 2HB LYS 43 1HB LYS 43 -10.901 2.755 -4.514 356 1HG LYS 43 2HG LYS 43 -12.776 4.212 -3.385 357 2HG LYS 43 1HG LYS 43 -13.869 3.128 -4.246 358 1HD LYS 43 2HD LYS 43 -12.378 1.231 -3.245 359 2HD LYS 43 1HD LYS 43 -11.866 2.471 -2.099 360 1HE LYS 43 2HE LYS 43 -14.143 2.839 -1.375 361 2HE LYS 43 1HE LYS 43 -14.765 1.785 -2.645 362 1HZ LYS 43 1HZ LYS 43 -14.603 0.146 -1.180 363 2HZ LYS 43 2HZ LYS 43 -13.736 1.105 -0.078 364 3HZ LYS 43 3HZ LYS 43 -12.916 0.270 -1.310 365 H ASP 44 H ASP 44 -11.086 6.166 -3.894 366 HA ASP 44 HA ASP 44 -9.100 7.083 -3.030 367 1HB ASP 44 2HB ASP 44 -8.443 4.537 -3.230 368 2HB ASP 44 1HB ASP 44 -7.471 5.100 -4.589 369 H GLY 45 H GLY 45 -10.153 7.275 -6.048 370 1HA GLY 45 2HA GLY 45 -9.654 9.057 -7.572 371 2HA GLY 45 1HA GLY 45 -8.076 9.239 -6.801 372 H ILE 46 H ILE 46 -7.517 6.344 -6.917 373 HA ILE 46 HA ILE 46 -6.551 6.275 -9.704 374 HB ILE 46 HB ILE 46 -5.323 4.240 -8.925 375 1HG1 ILE 46 2HG1 ILE 46 -5.956 4.759 -6.094 376 2HG1 ILE 46 1HG1 ILE 46 -7.310 4.109 -7.020 377 1HG2 ILE 46 1HG2 ILE 46 -5.125 6.919 -7.640 378 2HG2 ILE 46 2HG2 ILE 46 -3.938 6.047 -8.610 379 3HG2 ILE 46 3HG2 ILE 46 -4.177 5.622 -6.915 380 1HD1 ILE 46 1HD1 ILE 46 -5.006 2.656 -7.815 381 2HD1 ILE 46 2HD1 ILE 46 -6.382 2.065 -6.884 382 3HD1 ILE 46 3HD1 ILE 46 -4.977 2.732 -6.053 383 H PHE 47 H PHE 47 -6.540 3.505 -10.174 384 HA PHE 47 HA PHE 47 -9.476 2.962 -10.363 385 1HB PHE 47 2HB PHE 47 -7.186 2.372 -12.233 386 2HB PHE 47 1HB PHE 47 -8.694 1.462 -12.327 387 HD1 PHE 47 HD1 PHE 47 -10.799 2.555 -12.961 388 HD2 PHE 47 HD2 PHE 47 -7.103 4.743 -12.800 389 HE1 PHE 47 HE1 PHE 47 -11.845 4.416 -14.225 390 HE2 PHE 47 HE2 PHE 47 -8.149 6.604 -14.064 391 HZ PHE 47 HZ PHE 47 -10.520 6.441 -14.777 392 H LYS 48 H LYS 48 -9.841 0.467 -10.654 393 HA LYS 48 HA LYS 48 -7.926 -1.111 -9.027 394 1HB LYS 48 2HB LYS 48 -10.394 -0.072 -8.015 395 2HB LYS 48 1HB LYS 48 -10.554 -1.822 -8.168 396 1HG LYS 48 2HG LYS 48 -8.836 -2.251 -6.666 397 2HG LYS 48 1HG LYS 48 -8.039 -0.710 -6.981 398 1HD LYS 48 2HD LYS 48 -9.018 0.084 -5.115 399 2HD LYS 48 1HD LYS 48 -10.561 -0.022 -5.963 400 1HE LYS 48 2HE LYS 48 -11.170 -1.516 -4.379 401 2HE LYS 48 1HE LYS 48 -10.078 -2.643 -5.183 402 1HZ LYS 48 1HZ LYS 48 -8.349 -1.280 -3.714 403 2HZ LYS 48 2HZ LYS 48 -9.135 -2.680 -3.153 404 3HZ LYS 48 3HZ LYS 48 -9.715 -1.144 -2.717 405 H VAL 49 H VAL 49 -7.734 -3.159 -9.834 406 HA VAL 49 HA VAL 49 -9.662 -3.951 -11.969 407 HB VAL 49 HB VAL 49 -6.898 -5.047 -11.367 408 1HG1 VAL 49 1HG1 VAL 49 -7.467 -6.680 -12.804 409 2HG1 VAL 49 2HG1 VAL 49 -7.727 -5.460 -14.051 410 3HG1 VAL 49 3HG1 VAL 49 -9.065 -5.965 -13.019 411 1HG2 VAL 49 1HG2 VAL 49 -6.108 -3.222 -12.426 412 2HG2 VAL 49 2HG2 VAL 49 -7.748 -2.620 -12.666 413 3HG2 VAL 49 3HG2 VAL 49 -7.019 -3.695 -13.859 414 H ARG 50 H ARG 50 -11.205 -5.348 -11.265 415 HA ARG 50 HA ARG 50 -10.562 -7.144 -8.980 416 1HB ARG 50 2HB ARG 50 -12.617 -5.957 -8.649 417 2HB ARG 50 1HB ARG 50 -13.167 -6.323 -10.285 418 1HG ARG 50 2HG ARG 50 -13.826 -8.442 -9.736 419 2HG ARG 50 1HG ARG 50 -12.495 -8.669 -8.598 420 1HD ARG 50 2HD ARG 50 -13.623 -7.298 -6.933 421 2HD ARG 50 1HD ARG 50 -14.911 -6.914 -8.075 422 HE ARG 50 HE ARG 50 -14.426 -9.699 -7.093 423 1HH1 ARG 50 1HH2 ARG 50 -16.392 -7.781 -9.009 424 2HH1 ARG 50 2HH2 ARG 50 -17.888 -8.299 -8.308 425 1HH2 ARG 50 2HH1 ARG 50 -16.375 -10.069 -5.737 426 2HH2 ARG 50 1HH1 ARG 50 -17.878 -9.596 -6.455 427 H LEU 51 H LEU 51 -10.245 -9.309 -9.325 428 HA LEU 51 HA LEU 51 -10.578 -10.289 -12.110 429 1HB LEU 51 2HB LEU 51 -8.810 -10.927 -9.850 430 2HB LEU 51 1HB LEU 51 -9.435 -12.352 -10.682 431 HG LEU 51 HG LEU 51 -7.329 -11.586 -11.714 432 1HD1 LEU 51 1HD1 LEU 51 -8.263 -12.412 -13.588 433 2HD1 LEU 51 2HD1 LEU 51 -8.857 -10.794 -13.962 434 3HD1 LEU 51 3HD1 LEU 51 -9.866 -11.914 -13.048 435 1HD2 LEU 51 1HD2 LEU 51 -8.055 -9.093 -11.083 436 2HD2 LEU 51 2HD2 LEU 51 -8.687 -9.121 -12.729 437 3HD2 LEU 51 3HD2 LEU 51 -6.974 -9.416 -12.438 438 H LEU 52 H LEU 52 -12.796 -10.730 -12.238 439 HA LEU 52 HA LEU 52 -14.255 -12.121 -10.173 440 1HB LEU 52 2HB LEU 52 -14.803 -10.978 -12.770 441 2HB LEU 52 1HB LEU 52 -15.529 -12.582 -12.654 442 HG LEU 52 HG LEU 52 -17.011 -10.715 -11.824 443 1HD1 LEU 52 1HD1 LEU 52 -17.834 -11.977 -9.985 444 2HD1 LEU 52 2HD1 LEU 52 -16.230 -12.593 -9.588 445 3HD1 LEU 52 3HD1 LEU 52 -17.059 -13.163 -11.035 446 1HD2 LEU 52 1HD2 LEU 52 -16.092 -9.171 -10.464 447 2HD2 LEU 52 2HD2 LEU 52 -14.595 -10.099 -10.382 448 3HD2 LEU 52 3HD2 LEU 52 -15.892 -10.416 -9.231 449 H GLY 53 H GLY 53 -14.798 -14.332 -10.057 450 1HA GLY 53 2HA GLY 53 -14.846 -16.578 -11.073 451 2HA GLY 53 1HA GLY 53 -13.419 -16.125 -12.009 452 H TYR 54 H TYR 54 -11.927 -14.915 -9.906 453 HA TYR 54 HA TYR 54 -10.954 -17.347 -8.581 454 1HB TYR 54 2HB TYR 54 -9.860 -14.800 -9.316 455 2HB TYR 54 1HB TYR 54 -9.636 -15.027 -7.581 456 HD1 TYR 54 HD1 TYR 54 -8.859 -17.475 -6.877 457 HD2 TYR 54 HD2 TYR 54 -8.287 -15.736 -10.765 458 HE1 TYR 54 HE1 TYR 54 -7.018 -19.077 -7.322 459 HE2 TYR 54 HE2 TYR 54 -6.445 -17.338 -11.210 460 HH TYR 54 HH TYR 54 -5.378 -19.649 -8.718 461 H GLU 55 H GLU 55 -12.839 -14.514 -7.775 462 HA GLU 55 HA GLU 55 -13.951 -13.922 -5.797 463 1HB GLU 55 2HB GLU 55 -13.658 -16.906 -5.583 464 2HB GLU 55 1HB GLU 55 -14.311 -15.995 -4.222 465 1HG GLU 55 2HG GLU 55 -15.963 -14.951 -5.819 466 2HG GLU 55 1HG GLU 55 -15.393 -16.077 -7.050 467 H GLY 56 H GLY 56 -12.402 -12.558 -4.853 468 1HA GLY 56 2HA GLY 56 -11.351 -12.227 -2.635 469 2HA GLY 56 1HA GLY 56 -10.691 -13.857 -2.774 470 H HIS 57 H HIS 57 -10.586 -12.230 -5.740 471 HA HIS 57 HA HIS 57 -7.691 -11.632 -5.300 472 1HB HIS 57 2HB HIS 57 -8.330 -13.389 -7.019 473 2HB HIS 57 1HB HIS 57 -9.079 -12.093 -7.952 474 HD1 HIS 57 HD1 HIS 57 -7.213 -12.594 -9.806 475 HD2 HIS 57 HD2 HIS 57 -5.775 -11.071 -6.201 476 HE1 HIS 57 HE1 HIS 57 -4.852 -11.798 -10.256 477 H GLU 58 H GLU 58 -7.813 -9.466 -4.657 478 HA GLU 58 HA GLU 58 -9.217 -7.606 -6.528 479 1HB GLU 58 2HB GLU 58 -9.883 -7.576 -4.091 480 2HB GLU 58 1HB GLU 58 -8.252 -7.019 -3.716 481 1HG GLU 58 2HG GLU 58 -9.144 -4.944 -3.999 482 2HG GLU 58 1HG GLU 58 -8.948 -5.292 -5.717 483 H CYS 59 H CYS 59 -7.992 -6.205 -7.704 484 HA CYS 59 HA CYS 59 -5.115 -5.911 -6.941 485 1HB CYS 59 2HB CYS 59 -6.060 -5.770 -9.796 486 2HB CYS 59 1HB CYS 59 -4.443 -6.121 -9.181 487 HG CYS 59 HG CYS 59 -6.182 -8.261 -9.952 488 H ILE 60 H ILE 60 -4.149 -3.862 -7.785 489 HA ILE 60 HA ILE 60 -6.217 -1.698 -7.900 490 HB ILE 60 HB ILE 60 -4.164 -0.287 -7.070 491 1HG1 ILE 60 2HG1 ILE 60 -3.407 -2.958 -5.886 492 2HG1 ILE 60 1HG1 ILE 60 -2.691 -2.403 -7.399 493 1HG2 ILE 60 1HG2 ILE 60 -5.915 -0.358 -5.557 494 2HG2 ILE 60 2HG2 ILE 60 -4.705 -1.276 -4.659 495 3HG2 ILE 60 3HG2 ILE 60 -5.973 -2.121 -5.547 496 1HD1 ILE 60 1HD1 ILE 60 -2.639 -0.893 -4.770 497 2HD1 ILE 60 2HD1 ILE 60 -1.932 -0.334 -6.285 498 3HD1 ILE 60 3HD1 ILE 60 -1.280 -1.762 -5.482 499 H LEU 61 H LEU 61 -6.192 -0.451 -9.719 500 HA LEU 61 HA LEU 61 -3.979 -0.916 -11.648 501 1HB LEU 61 2HB LEU 61 -6.445 -1.180 -12.295 502 2HB LEU 61 1HB LEU 61 -6.550 0.579 -12.185 503 HG LEU 61 HG LEU 61 -4.256 -0.477 -13.740 504 1HD1 LEU 61 1HD1 LEU 61 -6.547 -0.336 -15.482 505 2HD1 LEU 61 2HD1 LEU 61 -6.845 -1.526 -14.216 506 3HD1 LEU 61 3HD1 LEU 61 -5.421 -1.674 -15.247 507 1HD2 LEU 61 1HD2 LEU 61 -5.520 1.387 -15.261 508 2HD2 LEU 61 2HD2 LEU 61 -4.359 1.795 -13.999 509 3HD2 LEU 61 3HD2 LEU 61 -6.089 1.856 -13.660 510 H LEU 62 H LEU 62 -2.392 0.558 -11.673 511 HA LEU 62 HA LEU 62 -3.092 3.427 -11.240 512 1HB LEU 62 2HB LEU 62 -0.553 2.144 -10.211 513 2HB LEU 62 1HB LEU 62 -1.164 3.761 -9.859 514 HG LEU 62 HG LEU 62 -3.252 2.484 -8.929 515 1HD1 LEU 62 1HD1 LEU 62 -1.680 0.320 -9.774 516 2HD1 LEU 62 2HD1 LEU 62 -3.116 0.240 -8.754 517 3HD1 LEU 62 3HD1 LEU 62 -1.517 0.338 -8.018 518 1HD2 LEU 62 1HD2 LEU 62 -0.555 2.514 -7.537 519 2HD2 LEU 62 2HD2 LEU 62 -2.097 2.278 -6.714 520 3HD2 LEU 62 3HD2 LEU 62 -1.756 3.806 -7.525 521 H ASP 63 H ASP 63 -2.114 1.282 -13.439 522 HA ASP 63 HA ASP 63 -0.834 1.434 -15.404 523 1HB ASP 63 2HB ASP 63 -2.172 3.683 -15.371 524 2HB ASP 63 1HB ASP 63 -0.626 4.401 -14.916 525 H TYR 64 H TYR 64 0.501 0.882 -12.962 526 HA TYR 64 HA TYR 64 2.686 0.783 -12.107 527 1HB TYR 64 2HB TYR 64 3.197 0.361 -14.542 528 2HB TYR 64 1HB TYR 64 3.467 2.094 -14.728 529 HD1 TYR 64 HD1 TYR 64 4.493 -0.753 -12.502 530 HD2 TYR 64 HD2 TYR 64 5.623 2.923 -14.419 531 HE1 TYR 64 HE1 TYR 64 6.808 -1.020 -11.650 532 HE2 TYR 64 HE2 TYR 64 7.938 2.657 -13.567 533 HH TYR 64 HH TYR 64 8.844 -0.157 -11.563 534 H LEU 65 H LEU 65 0.963 3.152 -11.679 535 HA LEU 65 HA LEU 65 2.701 5.494 -11.790 536 1HB LEU 65 2HB LEU 65 -0.049 4.876 -10.886 537 2HB LEU 65 1HB LEU 65 0.758 6.175 -10.006 538 HG LEU 65 HG LEU 65 0.705 6.061 -13.027 539 1HD1 LEU 65 1HD1 LEU 65 -1.520 6.443 -11.350 540 2HD1 LEU 65 2HD1 LEU 65 -1.410 6.838 -13.064 541 3HD1 LEU 65 3HD1 LEU 65 -1.033 8.062 -11.852 542 1HD2 LEU 65 1HD2 LEU 65 0.781 8.679 -11.849 543 2HD2 LEU 65 2HD2 LEU 65 2.011 7.888 -12.836 544 3HD2 LEU 65 3HD2 LEU 65 2.017 7.681 -11.085 545 H ASN 66 H ASN 66 1.073 4.409 -8.834 546 HA ASN 66 HA ASN 66 1.899 4.217 -6.645 547 1HB ASN 66 2HB ASN 66 3.959 2.984 -8.399 548 2HB ASN 66 1HB ASN 66 4.475 3.391 -6.762 549 1HD2 ASN 66 1HD2 ASN 66 1.443 2.032 -8.199 550 2HD2 ASN 66 2HD2 ASN 66 1.324 0.753 -7.089 551 H TYR 67 H TYR 67 2.334 6.723 -8.304 552 HA TYR 67 HA TYR 67 3.756 8.242 -6.342 553 1HB TYR 67 2HB TYR 67 5.787 7.271 -7.149 554 2HB TYR 67 1HB TYR 67 5.287 7.450 -8.831 555 HD1 TYR 67 HD1 TYR 67 5.166 9.714 -9.872 556 HD2 TYR 67 HD2 TYR 67 6.756 9.103 -5.926 557 HE1 TYR 67 HE1 TYR 67 6.226 11.956 -9.952 558 HE2 TYR 67 HE2 TYR 67 7.815 11.346 -6.006 559 HH TYR 67 HH TYR 67 8.443 12.988 -8.610 560 H ARG 68 H ARG 68 2.469 10.018 -6.512 561 HA ARG 68 HA ARG 68 1.458 11.912 -7.468 562 1HB ARG 68 2HB ARG 68 3.794 11.526 -8.936 563 2HB ARG 68 1HB ARG 68 2.535 11.613 -10.168 564 1HG ARG 68 2HG ARG 68 2.780 13.864 -9.938 565 2HG ARG 68 1HG ARG 68 1.783 13.646 -8.500 566 1HD ARG 68 2HD ARG 68 4.801 13.425 -8.456 567 2HD ARG 68 1HD ARG 68 3.944 14.930 -8.126 568 HE ARG 68 HE ARG 68 2.925 12.783 -6.484 569 1HH1 ARG 68 1HH2 ARG 68 6.112 13.607 -6.749 570 2HH1 ARG 68 2HH2 ARG 68 6.287 14.259 -5.154 571 1HH2 ARG 68 2HH1 ARG 68 2.887 14.223 -4.479 572 2HH2 ARG 68 1HH1 ARG 68 4.462 14.608 -3.870 573 H GLN 69 H GLN 69 -0.478 12.260 -8.598 574 HA GLN 69 HA GLN 69 -1.494 9.887 -10.109 575 1HB GLN 69 2HB GLN 69 -2.607 11.372 -7.944 576 2HB GLN 69 1HB GLN 69 -3.603 11.678 -9.368 577 1HG GLN 69 2HG GLN 69 -4.462 9.597 -9.307 578 2HG GLN 69 1HG GLN 69 -2.854 8.876 -9.203 579 1HE2 GLN 69 1HE2 GLN 69 -1.970 8.467 -7.051 580 2HE2 GLN 69 2HE2 GLN 69 -2.954 8.509 -5.668 581 H ASP 70 H ASP 70 -3.353 10.659 -11.689 582 HA ASP 70 HA ASP 70 -2.869 13.297 -12.888 583 1HB ASP 70 2HB ASP 70 -2.458 12.134 -15.168 584 2HB ASP 70 1HB ASP 70 -1.107 12.223 -14.038 585 H THR 71 H THR 71 -5.198 12.416 -11.749 586 HA THR 71 HA THR 71 -6.955 11.172 -13.720 587 HB THR 71 HB THR 71 -8.717 11.554 -12.100 588 HG1 THR 71 HG1 THR 71 -8.483 12.969 -10.456 589 1HG2 THR 71 1HG2 THR 71 -7.843 10.342 -10.251 590 2HG2 THR 71 2HG2 THR 71 -6.229 11.019 -10.473 591 3HG2 THR 71 3HG2 THR 71 -6.861 9.846 -11.630 592 H LEU 72 H LEU 72 -7.756 12.258 -15.446 593 HA LEU 72 HA LEU 72 -8.783 14.986 -15.126 594 1HB LEU 72 2HB LEU 72 -6.142 14.484 -16.238 595 2HB LEU 72 1HB LEU 72 -7.198 15.255 -17.423 596 HG LEU 72 HG LEU 72 -7.834 16.778 -15.332 597 1HD1 LEU 72 1HD1 LEU 72 -5.188 16.983 -14.440 598 2HD1 LEU 72 2HD1 LEU 72 -5.516 15.251 -14.459 599 3HD1 LEU 72 3HD1 LEU 72 -6.551 16.334 -13.530 600 1HD2 LEU 72 1HD2 LEU 72 -5.601 18.106 -16.046 601 2HD2 LEU 72 2HD2 LEU 72 -7.006 17.993 -17.104 602 3HD2 LEU 72 3HD2 LEU 72 -5.635 16.910 -17.341 603 H ASP 73 H ASP 73 -10.121 12.607 -15.738 604 HA ASP 73 HA ASP 73 -11.160 13.279 -18.415 605 1HB ASP 73 2HB ASP 73 -9.250 11.357 -18.344 606 2HB ASP 73 1HB ASP 73 -10.681 10.375 -18.030 607 H ARG 74 H ARG 74 -13.061 13.846 -17.245 608 HA ARG 74 HA ARG 74 -14.393 12.306 -15.304 609 1HB ARG 74 2HB ARG 74 -14.929 14.644 -16.676 610 2HB ARG 74 1HB ARG 74 -16.204 13.566 -17.245 611 1HG ARG 74 2HG ARG 74 -17.292 13.756 -15.286 612 2HG ARG 74 1HG ARG 74 -15.860 13.222 -14.407 613 1HD ARG 74 2HD ARG 74 -15.890 15.327 -13.542 614 2HD ARG 74 1HD ARG 74 -15.140 15.771 -15.076 615 HE ARG 74 HE ARG 74 -17.433 16.360 -15.890 616 1HH1 ARG 74 1HH2 ARG 74 -18.707 14.922 -13.448 617 2HH1 ARG 74 2HH2 ARG 74 -19.260 16.293 -12.545 618 1HH2 ARG 74 2HH1 ARG 74 -17.352 18.573 -14.327 619 2HH2 ARG 74 1HH1 ARG 74 -18.492 18.358 -13.041 620 H LEU 75 H LEU 75 -14.249 11.876 -18.791 621 HA LEU 75 HA LEU 75 -16.464 10.132 -19.131 622 1HB LEU 75 2HB LEU 75 -15.037 11.121 -20.967 623 2HB LEU 75 1HB LEU 75 -13.808 9.919 -20.572 624 HG LEU 75 HG LEU 75 -15.804 8.220 -20.815 625 1HD1 LEU 75 1HD1 LEU 75 -16.717 10.573 -22.501 626 2HD1 LEU 75 2HD1 LEU 75 -17.537 9.957 -21.065 627 3HD1 LEU 75 3HD1 LEU 75 -17.436 8.963 -22.517 628 1HD2 LEU 75 1HD2 LEU 75 -14.136 7.845 -22.360 629 2HD2 LEU 75 2HD2 LEU 75 -14.077 9.535 -22.862 630 3HD2 LEU 75 3HD2 LEU 75 -15.362 8.481 -23.456 631 H LYS 76 H LYS 76 -13.120 9.448 -18.135 632 HA LYS 76 HA LYS 76 -13.195 6.639 -18.152 633 1HB LYS 76 2HB LYS 76 -11.563 8.690 -16.957 634 2HB LYS 76 1HB LYS 76 -11.833 7.399 -15.786 635 1HG LYS 76 2HG LYS 76 -10.394 6.063 -16.879 636 2HG LYS 76 1HG LYS 76 -11.330 6.233 -18.365 637 1HD LYS 76 2HD LYS 76 -10.007 7.946 -19.168 638 2HD LYS 76 1HD LYS 76 -9.588 8.520 -17.554 639 1HE LYS 76 2HE LYS 76 -7.605 7.516 -18.477 640 2HE LYS 76 1HE LYS 76 -8.230 6.403 -17.259 641 1HZ LYS 76 1HZ LYS 76 -9.238 6.057 -19.965 642 2HZ LYS 76 2HZ LYS 76 -8.816 4.892 -18.803 643 3HZ LYS 76 3HZ LYS 76 -7.608 5.655 -19.722 644 H GLU 77 H GLU 77 -14.725 8.888 -15.938 645 HA GLU 77 HA GLU 77 -15.252 7.045 -13.809 646 1HB GLU 77 2HB GLU 77 -15.531 9.621 -13.857 647 2HB GLU 77 1HB GLU 77 -17.111 9.294 -14.571 648 1HG GLU 77 2HG GLU 77 -17.623 9.349 -12.291 649 2HG GLU 77 1HG GLU 77 -17.369 7.624 -12.561 650 H ARG 78 H ARG 78 -17.119 7.912 -16.717 651 HA ARG 78 HA ARG 78 -19.316 6.130 -16.023 652 1HB ARG 78 2HB ARG 78 -19.035 8.247 -17.750 653 2HB ARG 78 1HB ARG 78 -19.015 6.873 -18.858 654 1HG ARG 78 2HG ARG 78 -21.247 6.694 -18.654 655 2HG ARG 78 1HG ARG 78 -21.051 6.376 -16.931 656 1HD ARG 78 2HD ARG 78 -21.968 8.373 -16.461 657 2HD ARG 78 1HD ARG 78 -20.664 9.172 -17.338 658 HE ARG 78 HE ARG 78 -23.367 8.705 -18.339 659 1HH1 ARG 78 2HH1 ARG 78 -21.009 10.836 -18.761 660 2HH1 ARG 78 1HH1 ARG 78 -20.890 10.741 -20.486 661 1HH2 ARG 78 1HH2 ARG 78 -22.803 7.861 -20.726 662 2HH2 ARG 78 2HH2 ARG 78 -21.905 9.058 -21.598 663 H LEU 79 H LEU 79 -16.313 5.816 -17.803 664 HA LEU 79 HA LEU 79 -17.131 3.343 -19.136 665 1HB LEU 79 2HB LEU 79 -14.907 5.175 -19.273 666 2HB LEU 79 1HB LEU 79 -14.311 3.523 -19.112 667 HG LEU 79 HG LEU 79 -15.710 2.808 -20.996 668 1HD1 LEU 79 1HD1 LEU 79 -17.607 4.266 -20.775 669 2HD1 LEU 79 2HD1 LEU 79 -16.862 4.639 -22.330 670 3HD1 LEU 79 3HD1 LEU 79 -16.599 5.703 -20.947 671 1HD2 LEU 79 1HD2 LEU 79 -14.577 4.104 -22.787 672 2HD2 LEU 79 2HD2 LEU 79 -13.459 3.662 -21.497 673 3HD2 LEU 79 3HD2 LEU 79 -14.090 5.306 -21.591 674 H VAL 80 H VAL 80 -15.641 4.205 -16.101 675 HA VAL 80 HA VAL 80 -14.150 2.023 -15.341 676 HB VAL 80 HB VAL 80 -16.369 3.103 -13.592 677 1HG1 VAL 80 1HG1 VAL 80 -15.041 1.150 -12.767 678 2HG1 VAL 80 2HG1 VAL 80 -14.823 2.595 -11.779 679 3HG1 VAL 80 3HG1 VAL 80 -13.577 2.121 -12.934 680 1HG2 VAL 80 1HG2 VAL 80 -14.289 4.633 -12.904 681 2HG2 VAL 80 2HG2 VAL 80 -15.386 5.109 -14.200 682 3HG2 VAL 80 3HG2 VAL 80 -13.842 4.350 -14.586 683 H GLY 81 H GLY 81 -14.723 0.007 -14.188 684 1HA GLY 81 2HA GLY 81 -16.157 -1.852 -13.740 685 2HA GLY 81 1HA GLY 81 -17.458 -1.014 -14.583 686 H ARG 82 H ARG 82 -16.441 -0.505 -17.047 687 HA ARG 82 HA ARG 82 -16.844 -2.717 -18.597 688 1HB ARG 82 2HB ARG 82 -14.958 -0.405 -18.969 689 2HB ARG 82 1HB ARG 82 -15.031 -1.688 -20.177 690 1HG ARG 82 2HG ARG 82 -17.656 -0.669 -19.266 691 2HG ARG 82 1HG ARG 82 -16.680 0.480 -20.183 692 1HD ARG 82 2HD ARG 82 -16.470 -1.077 -22.027 693 2HD ARG 82 1HD ARG 82 -17.262 -2.350 -21.098 694 HE ARG 82 HE ARG 82 -18.674 -0.580 -22.697 695 1HH1 ARG 82 1HH2 ARG 82 -18.979 -2.249 -19.797 696 2HH1 ARG 82 2HH2 ARG 82 -20.409 -1.427 -19.271 697 1HH2 ARG 82 2HH1 ARG 82 -20.322 0.913 -21.829 698 2HH2 ARG 82 1HH1 ARG 82 -21.170 0.364 -20.423 699 H VAL 83 H VAL 83 -15.446 -4.296 -19.645 700 HA VAL 83 HA VAL 83 -13.263 -5.195 -17.836 701 HB VAL 83 HB VAL 83 -14.488 -6.698 -20.164 702 1HG1 VAL 83 1HG1 VAL 83 -13.055 -7.656 -17.668 703 2HG1 VAL 83 2HG1 VAL 83 -12.291 -7.475 -19.248 704 3HG1 VAL 83 3HG1 VAL 83 -13.586 -8.651 -19.024 705 1HG2 VAL 83 1HG2 VAL 83 -15.518 -6.132 -17.447 706 2HG2 VAL 83 2HG2 VAL 83 -15.552 -7.832 -17.916 707 3HG2 VAL 83 3HG2 VAL 83 -16.388 -6.629 -18.899 708 H ILE 84 H ILE 84 -11.146 -5.174 -18.512 709 HA ILE 84 HA ILE 84 -10.583 -4.820 -21.407 710 HB ILE 84 HB ILE 84 -9.230 -2.887 -21.110 711 1HG1 ILE 84 2HG1 ILE 84 -8.110 -3.583 -19.036 712 2HG1 ILE 84 1HG1 ILE 84 -8.737 -1.945 -18.869 713 1HG2 ILE 84 1HG2 ILE 84 -10.893 -1.375 -20.761 714 2HG2 ILE 84 2HG2 ILE 84 -11.294 -2.028 -19.175 715 3HG2 ILE 84 3HG2 ILE 84 -11.913 -2.805 -20.631 716 1HD1 ILE 84 1HD1 ILE 84 -10.877 -3.371 -17.991 717 2HD1 ILE 84 2HD1 ILE 84 -9.608 -2.768 -16.926 718 3HD1 ILE 84 3HD1 ILE 84 -9.563 -4.436 -17.495 719 H LYS 85 H LYS 85 -8.065 -4.863 -21.697 720 HA LYS 85 HA LYS 85 -7.041 -7.079 -19.983 721 1HB LYS 85 2HB LYS 85 -7.183 -7.519 -22.428 722 2HB LYS 85 1HB LYS 85 -6.100 -6.157 -22.717 723 1HG LYS 85 2HG LYS 85 -4.255 -7.274 -21.917 724 2HG LYS 85 1HG LYS 85 -5.195 -8.217 -20.761 725 1HD LYS 85 2HD LYS 85 -5.090 -8.645 -23.761 726 2HD LYS 85 1HD LYS 85 -4.382 -9.691 -22.531 727 1HE LYS 85 2HE LYS 85 -7.014 -9.454 -21.704 728 2HE LYS 85 1HE LYS 85 -7.155 -9.523 -23.460 729 1HZ LYS 85 1HZ LYS 85 -5.391 -11.441 -23.089 730 2HZ LYS 85 2HZ LYS 85 -7.065 -11.726 -23.030 731 3HZ LYS 85 3HZ LYS 85 -6.181 -11.538 -21.592 732 H THR 86 H THR 86 -5.445 -6.576 -18.563 733 HA THR 86 HA THR 86 -3.757 -4.174 -19.142 734 HB THR 86 HB THR 86 -3.722 -3.834 -16.630 735 HG1 THR 86 HG1 THR 86 -4.707 -6.119 -16.507 736 1HG2 THR 86 1HG2 THR 86 -5.220 -2.252 -17.177 737 2HG2 THR 86 2HG2 THR 86 -6.509 -3.436 -16.968 738 3HG2 THR 86 3HG2 THR 86 -5.766 -3.213 -18.552 739 H ARG 87 H ARG 87 -1.735 -4.275 -17.568 740 HA ARG 87 HA ARG 87 -0.616 -7.016 -17.884 741 1HB ARG 87 2HB ARG 87 1.050 -4.701 -16.986 742 2HB ARG 87 1HB ARG 87 1.476 -6.040 -18.053 743 1HG ARG 87 2HG ARG 87 -0.210 -3.614 -18.716 744 2HG ARG 87 1HG ARG 87 1.321 -4.096 -19.448 745 1HD ARG 87 2HD ARG 87 -0.377 -6.319 -19.748 746 2HD ARG 87 1HD ARG 87 -1.368 -4.915 -20.148 747 HE ARG 87 HE ARG 87 1.306 -5.255 -21.428 748 1HH1 ARG 87 1HH2 ARG 87 -2.059 -5.722 -21.702 749 2HH1 ARG 87 2HH2 ARG 87 -2.158 -5.152 -23.335 750 1HH2 ARG 87 2HH1 ARG 87 1.164 -4.167 -23.473 751 2HH2 ARG 87 1HH1 ARG 87 -0.334 -4.271 -24.336 752 H VAL 88 H VAL 88 0.490 -8.019 -16.081 753 HA VAL 88 HA VAL 88 -0.639 -7.157 -13.470 754 HB VAL 88 HB VAL 88 0.931 -9.688 -13.947 755 1HG1 VAL 88 1HG1 VAL 88 0.431 -9.284 -11.647 756 2HG1 VAL 88 2HG1 VAL 88 -0.768 -10.459 -12.191 757 3HG1 VAL 88 3HG1 VAL 88 -1.211 -8.760 -12.022 758 1HG2 VAL 88 1HG2 VAL 88 -1.492 -8.923 -15.274 759 2HG2 VAL 88 2HG2 VAL 88 -1.877 -10.183 -14.102 760 3HG2 VAL 88 3HG2 VAL 88 -0.655 -10.474 -15.340 761 H VAL 89 H VAL 89 0.640 -6.274 -11.914 762 HA VAL 89 HA VAL 89 3.503 -5.912 -12.545 763 HB VAL 89 HB VAL 89 1.778 -4.733 -10.349 764 1HG1 VAL 89 1HG1 VAL 89 4.672 -4.722 -10.869 765 2HG1 VAL 89 2HG1 VAL 89 3.792 -4.296 -9.401 766 3HG1 VAL 89 3HG1 VAL 89 3.981 -3.110 -10.692 767 1HG2 VAL 89 1HG2 VAL 89 1.771 -2.728 -11.697 768 2HG2 VAL 89 2HG2 VAL 89 1.265 -4.061 -12.735 769 3HG2 VAL 89 3HG2 VAL 89 2.909 -3.434 -12.844 770 H ARG 90 H ARG 90 1.435 -7.425 -10.103 771 HA ARG 90 HA ARG 90 3.347 -9.397 -9.397 772 1HB ARG 90 2HB ARG 90 4.287 -7.089 -8.431 773 2HB ARG 90 1HB ARG 90 3.163 -7.465 -7.125 774 1HG ARG 90 2HG ARG 90 4.299 -9.399 -6.515 775 2HG ARG 90 1HG ARG 90 4.986 -9.623 -8.124 776 1HD ARG 90 2HD ARG 90 6.334 -7.496 -7.698 777 2HD ARG 90 1HD ARG 90 5.822 -7.622 -6.016 778 HE ARG 90 HE ARG 90 7.290 -9.463 -5.753 779 1HH1 ARG 90 1HH2 ARG 90 8.576 -7.922 -8.195 780 2HH1 ARG 90 2HH2 ARG 90 9.035 -9.279 -9.167 781 1HH2 ARG 90 2HH1 ARG 90 7.117 -11.548 -7.378 782 2HH2 ARG 90 1HH1 ARG 90 8.209 -11.332 -8.705 783 H ALA 91 H ALA 91 1.678 -10.834 -9.173 784 HA ALA 91 HA ALA 91 -0.634 -10.107 -7.462 785 1HB ALA 91 1HB ALA 91 -1.703 -11.275 -9.071 786 2HB ALA 91 2HB ALA 91 -0.982 -12.727 -8.374 787 3HB ALA 91 3HB ALA 91 -0.184 -11.901 -9.711 788 H ASP 92 H ASP 92 -0.485 -10.612 -5.332 789 HA ASP 92 HA ASP 92 1.222 -12.942 -4.562 790 1HB ASP 92 2HB ASP 92 1.605 -10.482 -3.676 791 2HB ASP 92 1HB ASP 92 0.276 -10.888 -2.588 792 H GLY 93 H GLY 93 -1.994 -11.656 -4.543 793 1HA GLY 93 2HA GLY 93 -3.736 -13.488 -4.280 794 2HA GLY 93 1HA GLY 93 -2.867 -13.935 -2.811 795 H LEU 94 H LEU 94 -5.468 -12.198 -3.953 796 HA LEU 94 HA LEU 94 -7.049 -10.978 -2.676 797 1HB LEU 94 2HB LEU 94 -5.596 -11.974 -0.663 798 2HB LEU 94 1HB LEU 94 -5.072 -10.295 -0.552 799 HG LEU 94 HG LEU 94 -7.684 -9.833 -0.769 800 1HD1 LEU 94 1HD1 LEU 94 -7.735 -12.414 0.778 801 2HD1 LEU 94 2HD1 LEU 94 -7.948 -12.429 -0.972 802 3HD1 LEU 94 3HD1 LEU 94 -9.077 -11.535 0.046 803 1HD2 LEU 94 1HD2 LEU 94 -7.747 -9.584 1.613 804 2HD2 LEU 94 2HD2 LEU 94 -6.067 -9.318 1.145 805 3HD2 LEU 94 3HD2 LEU 94 -6.554 -10.862 1.845 806 H TYR 95 H TYR 95 -3.762 -9.651 -2.247 807 HA TYR 95 HA TYR 95 -4.795 -7.097 -3.410 808 1HB TYR 95 2HB TYR 95 -3.052 -7.674 -1.087 809 2HB TYR 95 1HB TYR 95 -2.491 -6.370 -2.133 810 HD1 TYR 95 HD1 TYR 95 -3.147 -4.263 -1.406 811 HD2 TYR 95 HD2 TYR 95 -5.840 -7.577 -0.922 812 HE1 TYR 95 HE1 TYR 95 -4.844 -2.741 -0.426 813 HE2 TYR 95 HE2 TYR 95 -7.536 -6.056 0.058 814 HH TYR 95 HH TYR 95 -7.253 -2.646 -0.094 815 H VAL 96 H VAL 96 -3.996 -6.756 -5.428 816 HA VAL 96 HA VAL 96 -1.244 -7.768 -6.025 817 HB VAL 96 HB VAL 96 -3.712 -7.879 -7.778 818 1HG1 VAL 96 1HG1 VAL 96 -1.824 -7.267 -9.162 819 2HG1 VAL 96 2HG1 VAL 96 -2.147 -8.982 -9.414 820 3HG1 VAL 96 3HG1 VAL 96 -0.805 -8.479 -8.388 821 1HG2 VAL 96 1HG2 VAL 96 -2.720 -10.378 -7.752 822 2HG2 VAL 96 2HG2 VAL 96 -3.857 -9.810 -6.528 823 3HG2 VAL 96 3HG2 VAL 96 -2.127 -9.838 -6.180 824 H ASP 97 H ASP 97 -0.158 -6.586 -7.766 825 HA ASP 97 HA ASP 97 -1.007 -3.730 -7.840 826 1HB ASP 97 2HB ASP 97 1.612 -5.143 -8.391 827 2HB ASP 97 1HB ASP 97 1.344 -3.467 -8.870 828 H LEU 98 H LEU 98 -1.440 -2.725 -9.867 829 HA LEU 98 HA LEU 98 -1.277 -4.521 -12.244 830 1HB LEU 98 2HB LEU 98 -3.658 -3.679 -10.904 831 2HB LEU 98 1HB LEU 98 -3.608 -2.904 -12.487 832 HG LEU 98 HG LEU 98 -4.689 -5.209 -12.435 833 1HD1 LEU 98 1HD1 LEU 98 -4.154 -4.642 -14.597 834 2HD1 LEU 98 2HD1 LEU 98 -3.007 -5.965 -14.396 835 3HD1 LEU 98 3HD1 LEU 98 -2.473 -4.295 -14.203 836 1HD2 LEU 98 1HD2 LEU 98 -3.397 -7.116 -12.031 837 2HD2 LEU 98 2HD2 LEU 98 -2.720 -5.988 -10.855 838 3HD2 LEU 98 3HD2 LEU 98 -1.882 -6.284 -12.378 839 H ARG 99 H ARG 99 -0.791 -3.518 -14.166 840 HA ARG 99 HA ARG 99 -0.622 -0.543 -14.157 841 1HB ARG 99 2HB ARG 99 1.553 -0.697 -15.337 842 2HB ARG 99 1HB ARG 99 1.637 -1.411 -13.726 843 1HG ARG 99 2HG ARG 99 2.262 -3.380 -14.609 844 2HG ARG 99 1HG ARG 99 0.787 -3.432 -15.576 845 1HD ARG 99 2HD ARG 99 2.287 -3.355 -17.311 846 2HD ARG 99 1HD ARG 99 2.189 -1.622 -17.007 847 HE ARG 99 HE ARG 99 4.494 -1.827 -16.573 848 1HH1 ARG 99 1HH2 ARG 99 4.057 -4.948 -16.849 849 2HH1 ARG 99 2HH2 ARG 99 4.833 -5.462 -15.388 850 1HH2 ARG 99 2HH1 ARG 99 4.931 -2.283 -14.007 851 2HH2 ARG 99 1HH1 ARG 99 5.329 -3.954 -13.779 852 H ARG 100 H ARG 100 -2.026 0.056 -15.730 853 HA ARG 100 HA ARG 100 -2.575 -1.714 -18.010 854 1HB ARG 100 2HB ARG 100 -4.227 -0.110 -16.717 855 2HB ARG 100 1HB ARG 100 -3.586 1.107 -17.821 856 1HG ARG 100 2HG ARG 100 -4.233 -1.380 -19.203 857 2HG ARG 100 1HG ARG 100 -5.638 -0.695 -18.383 858 1HD ARG 100 2HD ARG 100 -4.353 1.505 -19.550 859 2HD ARG 100 1HD ARG 100 -4.276 0.239 -20.775 860 HE ARG 100 HE ARG 100 -6.756 1.435 -19.674 861 1HH1 ARG 100 2HH1 ARG 100 -5.371 0.583 -22.509 862 2HH1 ARG 100 1HH1 ARG 100 -6.666 -0.405 -23.099 863 1HH2 ARG 100 1HH2 ARG 100 -8.353 -0.470 -20.070 864 2HH2 ARG 100 2HH2 ARG 100 -8.352 -1.002 -21.718 865 H PHE 101 H PHE 101 -1.861 -1.361 -20.112 866 HA PHE 101 HA PHE 101 0.220 0.749 -20.415 867 1HB PHE 101 2HB PHE 101 0.042 -1.984 -21.233 868 2HB PHE 101 1HB PHE 101 0.109 -0.984 -22.683 869 HD1 PHE 101 HD1 PHE 101 2.291 -0.890 -23.503 870 HD2 PHE 101 HD2 PHE 101 1.626 -0.661 -19.263 871 HE1 PHE 101 HE1 PHE 101 4.719 -0.527 -23.142 872 HE2 PHE 101 HE2 PHE 101 4.053 -0.298 -18.902 873 HZ PHE 101 HZ PHE 101 5.600 -0.231 -20.840 874 H PHE 102 HN PHE 102 0.268 1.920 -22.507 875 HA PHE 102 HA PHE 102 -0.785 3.261 -24.119 876 1HB PHE 102 2HB PHE 102 -1.971 0.587 -24.342 877 2HB PHE 102 1HB PHE 102 -3.039 1.868 -24.916 878 HD1 PHE 102 HD1 PHE 102 -1.820 3.736 -26.387 879 HD2 PHE 102 HD2 PHE 102 -0.400 -0.280 -25.826 880 HE1 PHE 102 HE1 PHE 102 -0.480 3.920 -28.467 881 HE2 PHE 102 HE2 PHE 102 0.941 -0.097 -27.906 882 HZ PHE 102 HZ PHE 102 0.901 2.002 -29.226 Start of MODEL 2 1 1H MET 1 1H MET 1 -16.936 -17.817 -59.173 2 2H MET 1 2H MET 1 -16.057 -18.943 -60.093 3 3H MET 1 3H MET 1 -15.495 -18.469 -58.561 4 HA MET 1 HA MET 1 -16.529 -20.690 -58.548 5 1HB MET 1 2HB MET 1 -18.304 -19.958 -56.727 6 2HB MET 1 1HB MET 1 -16.580 -19.741 -56.425 7 1HG MET 1 2HG MET 1 -16.681 -17.420 -57.052 8 2HG MET 1 1HG MET 1 -18.331 -17.597 -57.650 9 1HE MET 1 1HE MET 1 -17.433 -15.365 -54.753 10 2HE MET 1 2HE MET 1 -19.160 -15.342 -55.097 11 3HE MET 1 3HE MET 1 -18.008 -15.480 -56.422 12 H THR 2 H THR 2 -17.708 -21.545 -60.249 13 HA THR 2 HA THR 2 -20.544 -20.635 -60.451 14 HB THR 2 HB THR 2 -18.656 -21.291 -62.730 15 HG1 THR 2 HG1 THR 2 -18.647 -19.213 -63.012 16 1HG2 THR 2 1HG2 THR 2 -20.425 -21.787 -64.029 17 2HG2 THR 2 2HG2 THR 2 -21.293 -20.351 -63.486 18 3HG2 THR 2 3HG2 THR 2 -21.399 -21.849 -62.561 19 H VAL 3 H VAL 3 -18.300 -23.236 -61.478 20 HA VAL 3 HA VAL 3 -20.370 -25.189 -60.570 21 HB VAL 3 HB VAL 3 -19.518 -26.629 -62.543 22 1HG1 VAL 3 1HG1 VAL 3 -21.041 -25.342 -64.146 23 2HG1 VAL 3 2HG1 VAL 3 -21.204 -24.139 -62.866 24 3HG1 VAL 3 3HG1 VAL 3 -21.755 -25.791 -62.596 25 1HG2 VAL 3 1HG2 VAL 3 -18.695 -25.282 -64.465 26 2HG2 VAL 3 2HG2 VAL 3 -17.573 -25.241 -63.105 27 3HG2 VAL 3 3HG2 VAL 3 -18.629 -23.864 -63.420 28 H ILE 4 H ILE 4 -18.123 -24.304 -59.072 29 HA ILE 4 HA ILE 4 -15.926 -26.191 -59.384 30 HB ILE 4 HB ILE 4 -15.722 -23.902 -58.331 31 1HG1 ILE 4 2HG1 ILE 4 -14.293 -24.749 -56.403 32 2HG1 ILE 4 1HG1 ILE 4 -14.877 -26.369 -56.786 33 1HG2 ILE 4 1HG2 ILE 4 -16.978 -25.249 -55.928 34 2HG2 ILE 4 2HG2 ILE 4 -17.876 -24.184 -57.009 35 3HG2 ILE 4 3HG2 ILE 4 -16.508 -23.556 -56.089 36 1HD1 ILE 4 1HD1 ILE 4 -12.940 -24.673 -58.238 37 2HD1 ILE 4 2HD1 ILE 4 -14.119 -25.495 -59.260 38 3HD1 ILE 4 3HD1 ILE 4 -13.080 -26.430 -58.184 39 H LYS 5 H LYS 5 -18.966 -26.134 -57.662 40 HA LYS 5 HA LYS 5 -18.819 -28.949 -57.076 41 1HB LYS 5 2HB LYS 5 -17.721 -27.107 -55.098 42 2HB LYS 5 1HB LYS 5 -19.056 -28.055 -54.442 43 1HG LYS 5 2HG LYS 5 -17.938 -30.117 -55.385 44 2HG LYS 5 1HG LYS 5 -16.544 -29.106 -55.767 45 1HD LYS 5 2HD LYS 5 -16.440 -28.437 -53.352 46 2HD LYS 5 1HD LYS 5 -17.721 -29.603 -53.020 47 1HE LYS 5 2HE LYS 5 -15.674 -30.881 -54.582 48 2HE LYS 5 1HE LYS 5 -14.931 -30.100 -53.185 49 1HZ LYS 5 1HZ LYS 5 -17.397 -31.639 -52.798 50 2HZ LYS 5 2HZ LYS 5 -16.108 -31.373 -51.724 51 3HZ LYS 5 3HZ LYS 5 -15.941 -32.483 -52.998 52 HA PRO 6 HA PRO 6 -22.953 -26.835 -56.924 53 1HB PRO 6 2HB PRO 6 -23.941 -27.994 -59.214 54 2HB PRO 6 1HB PRO 6 -23.073 -26.448 -59.194 55 1HG PRO 6 2HG PRO 6 -22.122 -29.121 -60.110 56 2HG PRO 6 1HG PRO 6 -21.594 -27.509 -60.617 57 1HD PRO 6 2HD PRO 6 -20.225 -29.212 -58.816 58 2HD PRO 6 1HD PRO 6 -19.892 -27.487 -59.083 59 H SER 7 H SER 7 -22.083 -30.164 -57.856 60 HA SER 7 HA SER 7 -24.575 -31.314 -56.914 61 1HB SER 7 2HB SER 7 -22.047 -32.282 -58.065 62 2HB SER 7 1HB SER 7 -22.751 -33.379 -56.880 63 HG SER 7 HG SER 7 -24.141 -33.890 -58.358 64 H SER 8 H SER 8 -25.113 -31.679 -54.822 65 HA SER 8 HA SER 8 -22.895 -31.824 -52.818 66 1HB SER 8 2HB SER 8 -24.615 -30.960 -51.186 67 2HB SER 8 1HB SER 8 -24.182 -29.811 -52.447 68 HG SER 8 HG SER 8 -26.357 -29.818 -52.461 69 H ARG 9 H ARG 9 -23.081 -33.441 -51.201 70 HA ARG 9 HA ARG 9 -25.438 -35.200 -51.190 71 1HB ARG 9 2HB ARG 9 -24.058 -36.092 -53.056 72 2HB ARG 9 1HB ARG 9 -22.706 -36.284 -51.941 73 1HG ARG 9 2HG ARG 9 -23.733 -38.424 -52.009 74 2HG ARG 9 1HG ARG 9 -24.308 -37.699 -50.508 75 1HD ARG 9 2HD ARG 9 -26.408 -37.075 -51.536 76 2HD ARG 9 1HD ARG 9 -25.829 -37.570 -53.126 77 HE ARG 9 HE ARG 9 -26.720 -39.374 -50.968 78 1HH1 ARG 9 1HH2 ARG 9 -24.115 -40.299 -52.285 79 2HH1 ARG 9 2HH2 ARG 9 -24.726 -41.334 -53.532 80 1HH2 ARG 9 2HH1 ARG 9 -27.966 -40.116 -53.318 81 2HH2 ARG 9 1HH1 ARG 9 -26.907 -41.228 -54.119 82 HA PRO 10 HA PRO 10 -23.384 -34.815 -47.125 83 1HB PRO 10 2HB PRO 10 -25.727 -34.343 -45.766 84 2HB PRO 10 1HB PRO 10 -24.759 -33.065 -46.521 85 1HG PRO 10 2HG PRO 10 -27.341 -34.244 -47.428 86 2HG PRO 10 1HG PRO 10 -26.667 -32.637 -47.748 87 1HD PRO 10 2HD PRO 10 -26.669 -34.829 -49.545 88 2HD PRO 10 1HD PRO 10 -25.732 -33.330 -49.722 89 H ARG 11 H ARG 11 -22.943 -36.783 -46.205 90 HA ARG 11 HA ARG 11 -24.915 -38.460 -45.030 91 1HB ARG 11 2HB ARG 11 -24.392 -38.931 -47.882 92 2HB ARG 11 1HB ARG 11 -24.174 -40.368 -46.881 93 1HG ARG 11 2HG ARG 11 -26.397 -40.586 -46.589 94 2HG ARG 11 1HG ARG 11 -26.547 -38.904 -46.080 95 1HD ARG 11 2HD ARG 11 -26.550 -38.194 -48.451 96 2HD ARG 11 1HD ARG 11 -26.427 -39.880 -48.949 97 HE ARG 11 HE ARG 11 -28.675 -39.904 -47.383 98 1HH1 ARG 11 2HH1 ARG 11 -28.343 -36.911 -48.491 99 2HH1 ARG 11 1HH1 ARG 11 -29.576 -36.956 -49.706 100 1HH2 ARG 11 1HH2 ARG 11 -29.940 -40.403 -49.585 101 2HH2 ARG 11 2HH2 ARG 11 -30.480 -38.934 -50.327 102 HA PRO 12 HA PRO 12 -20.706 -40.703 -44.960 103 1HB PRO 12 2HB PRO 12 -18.749 -39.832 -46.685 104 2HB PRO 12 1HB PRO 12 -19.915 -41.103 -47.091 105 1HG PRO 12 2HG PRO 12 -19.841 -38.258 -48.000 106 2HG PRO 12 1HG PRO 12 -20.496 -39.683 -48.824 107 1HD PRO 12 2HD PRO 12 -22.021 -37.746 -47.469 108 2HD PRO 12 1HD PRO 12 -22.582 -39.363 -47.940 109 H ARG 13 H ARG 13 -20.987 -39.084 -43.090 110 HA ARG 13 HA ARG 13 -19.221 -36.736 -43.148 111 1HB ARG 13 2HB ARG 13 -20.790 -37.938 -40.845 112 2HB ARG 13 1HB ARG 13 -20.036 -36.343 -40.871 113 1HG ARG 13 2HG ARG 13 -22.141 -37.215 -42.865 114 2HG ARG 13 1HG ARG 13 -22.517 -36.342 -41.379 115 1HD ARG 13 2HD ARG 13 -20.592 -35.356 -43.502 116 2HD ARG 13 1HD ARG 13 -22.269 -34.829 -43.354 117 HE ARG 13 HE ARG 13 -21.312 -34.297 -40.860 118 1HH1 ARG 13 2HH1 ARG 13 -18.616 -34.336 -42.406 119 2HH1 ARG 13 1HH1 ARG 13 -18.397 -32.639 -42.674 120 1HH2 ARG 13 1HH2 ARG 13 -21.677 -31.825 -41.902 121 2HH2 ARG 13 2HH2 ARG 13 -20.131 -31.217 -42.390 122 H LYS 14 H LYS 14 -17.069 -37.006 -42.830 123 HA LYS 14 HA LYS 14 -15.788 -39.352 -41.959 124 1HB LYS 14 2HB LYS 14 -15.014 -36.701 -42.635 125 2HB LYS 14 1HB LYS 14 -14.266 -37.077 -41.082 126 1HG LYS 14 2HG LYS 14 -12.765 -37.813 -42.836 127 2HG LYS 14 1HG LYS 14 -13.458 -39.242 -42.070 128 1HD LYS 14 2HD LYS 14 -15.301 -38.947 -43.958 129 2HD LYS 14 1HD LYS 14 -13.993 -38.100 -44.784 130 1HE LYS 14 2HE LYS 14 -13.330 -40.160 -45.460 131 2HE LYS 14 1HE LYS 14 -12.717 -40.345 -43.816 132 1HZ LYS 14 1HZ LYS 14 -15.477 -41.048 -44.653 133 2HZ LYS 14 2HZ LYS 14 -14.749 -41.369 -43.151 134 3HZ LYS 14 3HZ LYS 14 -14.204 -42.165 -44.549 135 H ASN 15 H ASN 15 -14.819 -39.902 -39.897 136 HA ASN 15 HA ASN 15 -16.514 -39.151 -37.629 137 1HB ASN 15 2HB ASN 15 -14.754 -41.324 -38.307 138 2HB ASN 15 1HB ASN 15 -14.275 -40.655 -36.747 139 1HD2 ASN 15 1HD2 ASN 15 -16.180 -40.321 -35.149 140 2HD2 ASN 15 2HD2 ASN 15 -17.416 -41.483 -35.171 141 H LYS 16 H LYS 16 -16.070 -37.025 -37.032 142 HA LYS 16 HA LYS 16 -13.275 -36.141 -36.749 143 1HB LYS 16 2HB LYS 16 -14.939 -34.558 -37.618 144 2HB LYS 16 1HB LYS 16 -15.888 -34.727 -36.140 145 1HG LYS 16 2HG LYS 16 -14.625 -33.178 -35.110 146 2HG LYS 16 1HG LYS 16 -13.165 -34.108 -35.448 147 1HD LYS 16 2HD LYS 16 -13.142 -31.792 -36.432 148 2HD LYS 16 1HD LYS 16 -12.933 -33.075 -37.624 149 1HE LYS 16 2HE LYS 16 -14.686 -32.212 -38.745 150 2HE LYS 16 1HE LYS 16 -15.713 -32.721 -37.403 151 1HZ LYS 16 1HZ LYS 16 -16.126 -30.497 -37.410 152 2HZ LYS 16 2HZ LYS 16 -14.583 -30.084 -37.989 153 3HZ LYS 16 3HZ LYS 16 -14.794 -30.517 -36.359 154 H ASN 17 H ASN 17 -12.166 -36.160 -34.847 155 HA ASN 17 HA ASN 17 -13.711 -36.801 -32.366 156 1HB ASN 17 2HB ASN 17 -11.514 -38.140 -33.541 157 2HB ASN 17 1HB ASN 17 -10.879 -37.312 -32.120 158 1HD2 ASN 17 1HD2 ASN 17 -10.676 -39.325 -30.901 159 2HD2 ASN 17 2HD2 ASN 17 -12.042 -40.149 -30.322 160 H ILE 18 H ILE 18 -11.234 -34.780 -33.829 161 HA ILE 18 HA ILE 18 -10.285 -33.487 -31.473 162 HB ILE 18 HB ILE 18 -10.633 -32.184 -34.186 163 1HG1 ILE 18 2HG1 ILE 18 -9.560 -34.295 -34.602 164 2HG1 ILE 18 1HG1 ILE 18 -8.283 -33.078 -34.574 165 1HG2 ILE 18 1HG2 ILE 18 -9.639 -30.485 -33.072 166 2HG2 ILE 18 2HG2 ILE 18 -8.190 -31.490 -33.040 167 3HG2 ILE 18 3HG2 ILE 18 -9.305 -31.505 -31.674 168 1HD1 ILE 18 1HD1 ILE 18 -7.375 -34.715 -33.186 169 2HD1 ILE 18 2HD1 ILE 18 -8.947 -35.172 -32.529 170 3HD1 ILE 18 3HD1 ILE 18 -8.176 -33.673 -32.009 171 H LYS 19 H LYS 19 -12.051 -33.021 -30.090 172 HA LYS 19 HA LYS 19 -13.359 -30.488 -30.556 173 1HB LYS 19 2HB LYS 19 -14.669 -32.251 -31.968 174 2HB LYS 19 1HB LYS 19 -15.287 -32.796 -30.409 175 1HG LYS 19 2HG LYS 19 -16.723 -31.067 -30.319 176 2HG LYS 19 1HG LYS 19 -15.405 -29.917 -30.548 177 1HD LYS 19 2HD LYS 19 -15.557 -30.082 -32.935 178 2HD LYS 19 1HD LYS 19 -16.647 -31.464 -32.832 179 1HE LYS 19 2HE LYS 19 -18.206 -29.799 -33.172 180 2HE LYS 19 1HE LYS 19 -18.103 -29.732 -31.412 181 1HZ LYS 19 1HZ LYS 19 -16.347 -28.019 -31.697 182 2HZ LYS 19 2HZ LYS 19 -17.880 -27.533 -32.247 183 3HZ LYS 19 3HZ LYS 19 -16.684 -28.001 -33.359 184 H VAL 20 H VAL 20 -13.283 -33.538 -28.760 185 HA VAL 20 HA VAL 20 -14.261 -32.122 -26.336 186 HB VAL 20 HB VAL 20 -15.353 -34.238 -26.739 187 1HG1 VAL 20 1HG1 VAL 20 -14.199 -35.733 -27.981 188 2HG1 VAL 20 2HG1 VAL 20 -13.395 -36.201 -26.482 189 3HG1 VAL 20 3HG1 VAL 20 -12.651 -35.006 -27.545 190 1HG2 VAL 20 1HG2 VAL 20 -14.907 -35.353 -24.663 191 2HG2 VAL 20 2HG2 VAL 20 -14.578 -33.644 -24.380 192 3HG2 VAL 20 3HG2 VAL 20 -13.243 -34.768 -24.631 193 H ASN 21 H ASN 21 -12.917 -31.738 -24.597 194 HA ASN 21 HA ASN 21 -10.422 -33.109 -24.163 195 1HB ASN 21 2HB ASN 21 -10.313 -31.092 -26.127 196 2HB ASN 21 1HB ASN 21 -9.616 -30.373 -24.676 197 1HD2 ASN 21 1HD2 ASN 21 -7.539 -31.091 -24.025 198 2HD2 ASN 21 2HD2 ASN 21 -6.676 -32.318 -24.821 199 H THR 22 H THR 22 -9.350 -32.297 -22.225 200 HA THR 22 HA THR 22 -10.357 -29.987 -20.807 201 HB THR 22 HB THR 22 -11.024 -32.247 -19.107 202 HG1 THR 22 HG1 THR 22 -12.601 -33.135 -20.288 203 1HG2 THR 22 1HG2 THR 22 -13.079 -30.347 -20.102 204 2HG2 THR 22 2HG2 THR 22 -11.695 -29.640 -19.270 205 3HG2 THR 22 3HG2 THR 22 -12.701 -30.834 -18.449 206 H TYR 23 H TYR 23 -7.783 -30.630 -21.390 207 HA TYR 23 HA TYR 23 -6.704 -31.563 -18.758 208 1HB TYR 23 2HB TYR 23 -6.302 -32.797 -21.199 209 2HB TYR 23 1HB TYR 23 -4.871 -31.777 -21.042 210 HD1 TYR 23 HD1 TYR 23 -3.076 -32.479 -19.705 211 HD2 TYR 23 HD2 TYR 23 -6.968 -34.201 -19.101 212 HE1 TYR 23 HE1 TYR 23 -2.116 -34.075 -18.067 213 HE2 TYR 23 HE2 TYR 23 -6.006 -35.799 -17.463 214 HH TYR 23 HH TYR 23 -4.192 -36.403 -16.336 215 H ARG 24 H ARG 24 -6.902 -29.182 -18.271 216 HA ARG 24 HA ARG 24 -4.336 -27.882 -18.738 217 1HB ARG 24 2HB ARG 24 -5.175 -25.909 -19.877 218 2HB ARG 24 1HB ARG 24 -5.622 -27.328 -20.824 219 1HG ARG 24 2HG ARG 24 -7.765 -26.649 -20.710 220 2HG ARG 24 1HG ARG 24 -7.716 -26.965 -18.975 221 1HD ARG 24 2HD ARG 24 -7.840 -24.763 -18.541 222 2HD ARG 24 1HD ARG 24 -6.391 -24.471 -19.501 223 HE ARG 24 HE ARG 24 -8.747 -24.826 -21.164 224 1HH1 ARG 24 2HH1 ARG 24 -9.558 -22.689 -19.225 225 2HH1 ARG 24 1HH1 ARG 24 -8.987 -21.254 -20.007 226 1HH2 ARG 24 1HH2 ARG 24 -6.879 -22.952 -22.174 227 2HH2 ARG 24 2HH2 ARG 24 -7.471 -21.402 -21.677 228 H THR 25 H THR 25 -5.146 -28.570 -16.337 229 HA THR 25 HA THR 25 -6.979 -27.039 -14.883 230 HB THR 25 HB THR 25 -5.601 -28.948 -13.988 231 HG1 THR 25 HG1 THR 25 -6.726 -27.634 -12.557 232 1HG2 THR 25 1HG2 THR 25 -3.459 -27.027 -13.235 233 2HG2 THR 25 2HG2 THR 25 -3.461 -27.602 -14.902 234 3HG2 THR 25 3HG2 THR 25 -3.353 -28.754 -13.573 235 H SER 26 H SER 26 -6.413 -25.235 -13.293 236 HA SER 26 HA SER 26 -4.884 -23.154 -14.763 237 1HB SER 26 2HB SER 26 -6.030 -21.927 -12.564 238 2HB SER 26 1HB SER 26 -6.735 -21.987 -14.177 239 HG SER 26 HG SER 26 -7.143 -23.807 -12.032 240 H ALA 27 H ALA 27 -4.211 -21.482 -12.629 241 HA ALA 27 HA ALA 27 -2.227 -23.172 -11.156 242 1HB ALA 27 1HB ALA 27 -0.602 -21.633 -11.589 243 2HB ALA 27 2HB ALA 27 -1.704 -20.271 -11.379 244 3HB ALA 27 3HB ALA 27 -1.667 -21.148 -12.909 245 H MET 28 H MET 28 -1.442 -21.770 -9.111 246 HA MET 28 HA MET 28 -3.950 -21.011 -7.680 247 1HB MET 28 2HB MET 28 -2.621 -22.928 -6.757 248 2HB MET 28 1HB MET 28 -1.274 -21.818 -6.502 249 1HG MET 28 2HG MET 28 -3.429 -20.489 -5.356 250 2HG MET 28 1HG MET 28 -3.706 -22.174 -4.919 251 1HE MET 28 1HE MET 28 -1.254 -23.693 -4.178 252 2HE MET 28 2HE MET 28 -2.747 -23.373 -3.300 253 3HE MET 28 3HE MET 28 -1.196 -23.165 -2.491 254 H ASP 29 H ASP 29 -0.890 -19.835 -8.797 255 HA ASP 29 HA ASP 29 -1.533 -17.192 -7.583 256 1HB ASP 29 2HB ASP 29 1.287 -18.286 -7.663 257 2HB ASP 29 1HB ASP 29 0.703 -16.852 -6.816 258 H LEU 30 H LEU 30 -1.637 -15.739 -9.215 259 HA LEU 30 HA LEU 30 -1.014 -16.235 -11.904 260 1HB LEU 30 2HB LEU 30 -1.105 -13.635 -10.357 261 2HB LEU 30 1HB LEU 30 -0.903 -13.698 -12.108 262 HG LEU 30 HG LEU 30 -3.188 -15.056 -10.660 263 1HD1 LEU 30 1HD1 LEU 30 -3.219 -12.391 -12.106 264 2HD1 LEU 30 2HD1 LEU 30 -3.200 -12.563 -10.350 265 3HD1 LEU 30 3HD1 LEU 30 -4.573 -13.162 -11.280 266 1HD2 LEU 30 1HD2 LEU 30 -3.400 -14.165 -13.473 267 2HD2 LEU 30 2HD2 LEU 30 -3.903 -15.686 -12.734 268 3HD2 LEU 30 3HD2 LEU 30 -2.217 -15.441 -13.190 269 H SER 31 H SER 31 0.774 -15.433 -13.235 270 HA SER 31 HA SER 31 3.350 -15.549 -11.752 271 1HB SER 31 2HB SER 31 2.630 -15.949 -14.663 272 2HB SER 31 1HB SER 31 4.297 -15.836 -14.104 273 HG SER 31 HG SER 31 2.428 -17.851 -13.793 274 HA PRO 32 HA PRO 32 4.209 -11.323 -12.550 275 1HB PRO 32 2HB PRO 32 6.951 -11.427 -12.747 276 2HB PRO 32 1HB PRO 32 6.071 -11.573 -11.215 277 1HG PRO 32 2HG PRO 32 7.427 -13.698 -12.810 278 2HG PRO 32 1HG PRO 32 7.107 -13.633 -11.068 279 1HD PRO 32 2HD PRO 32 5.634 -15.128 -12.967 280 2HD PRO 32 1HD PRO 32 5.137 -14.784 -11.296 281 H GLY 33 H GLY 33 4.121 -10.084 -14.398 282 1HA GLY 33 2HA GLY 33 4.705 -9.353 -16.584 283 2HA GLY 33 1HA GLY 33 5.770 -10.753 -16.735 284 H SER 34 H SER 34 2.423 -9.668 -17.003 285 HA SER 34 HA SER 34 1.876 -11.532 -19.125 286 1HB SER 34 2HB SER 34 1.683 -13.274 -17.555 287 2HB SER 34 1HB SER 34 0.955 -12.224 -16.342 288 HG SER 34 HG SER 34 -0.372 -13.773 -17.799 289 H VAL 35 H VAL 35 -0.411 -11.337 -19.856 290 HA VAL 35 HA VAL 35 -1.675 -8.826 -18.833 291 HB VAL 35 HB VAL 35 -2.192 -8.151 -21.038 292 1HG1 VAL 35 1HG1 VAL 35 0.214 -7.930 -20.529 293 2HG1 VAL 35 2HG1 VAL 35 -0.039 -8.243 -22.245 294 3HG1 VAL 35 3HG1 VAL 35 0.501 -9.543 -21.182 295 1HG2 VAL 35 1HG2 VAL 35 -1.468 -10.975 -21.886 296 2HG2 VAL 35 2HG2 VAL 35 -1.881 -9.672 -22.998 297 3HG2 VAL 35 3HG2 VAL 35 -3.086 -10.275 -21.861 298 H HIS 36 H HIS 36 -3.715 -9.152 -18.081 299 HA HIS 36 HA HIS 36 -5.278 -11.436 -19.204 300 1HB HIS 36 2HB HIS 36 -4.408 -10.982 -16.428 301 2HB HIS 36 1HB HIS 36 -6.135 -11.297 -16.590 302 HD1 HIS 36 HD1 HIS 36 -6.649 -13.476 -18.264 303 HD2 HIS 36 HD2 HIS 36 -2.927 -13.307 -16.394 304 HE1 HIS 36 HE1 HIS 36 -5.699 -15.823 -18.344 305 H GLU 37 H GLU 37 -7.668 -11.192 -18.591 306 HA GLU 37 HA GLU 37 -8.415 -8.335 -18.939 307 1HB GLU 37 2HB GLU 37 -9.376 -10.792 -20.033 308 2HB GLU 37 1HB GLU 37 -10.677 -10.082 -19.076 309 1HG GLU 37 2HG GLU 37 -11.078 -8.738 -20.846 310 2HG GLU 37 1HG GLU 37 -9.581 -7.904 -20.425 311 H GLY 38 H GLY 38 -9.907 -7.340 -17.512 312 1HA GLY 38 2HA GLY 38 -11.017 -8.854 -15.260 313 2HA GLY 38 1HA GLY 38 -9.735 -7.728 -14.808 314 H ILE 39 H ILE 39 -12.044 -7.114 -13.662 315 HA ILE 39 HA ILE 39 -13.497 -5.207 -15.423 316 HB ILE 39 HB ILE 39 -14.195 -5.616 -12.536 317 1HG1 ILE 39 2HG1 ILE 39 -13.830 -7.898 -13.235 318 2HG1 ILE 39 1HG1 ILE 39 -15.570 -7.615 -13.271 319 1HG2 ILE 39 1HG2 ILE 39 -16.493 -5.460 -13.533 320 2HG2 ILE 39 2HG2 ILE 39 -15.745 -5.233 -15.114 321 3HG2 ILE 39 3HG2 ILE 39 -15.497 -4.036 -13.842 322 1HD1 ILE 39 1HD1 ILE 39 -13.894 -8.457 -15.415 323 2HD1 ILE 39 2HD1 ILE 39 -14.474 -6.838 -15.801 324 3HD1 ILE 39 3HD1 ILE 39 -15.627 -8.128 -15.459 325 H VAL 40 H VAL 40 -13.738 -2.961 -14.738 326 HA VAL 40 HA VAL 40 -11.390 -2.073 -13.118 327 HB VAL 40 HB VAL 40 -13.091 -0.458 -15.037 328 1HG1 VAL 40 1HG1 VAL 40 -10.364 0.419 -14.550 329 2HG1 VAL 40 2HG1 VAL 40 -11.281 0.329 -13.047 330 3HG1 VAL 40 3HG1 VAL 40 -11.870 1.320 -14.381 331 1HG2 VAL 40 1HG2 VAL 40 -11.241 -2.498 -15.617 332 2HG2 VAL 40 2HG2 VAL 40 -10.356 -0.992 -15.856 333 3HG2 VAL 40 3HG2 VAL 40 -11.855 -1.283 -16.738 334 H TYR 41 H TYR 41 -11.667 -0.580 -11.429 335 HA TYR 41 HA TYR 41 -14.468 0.147 -10.716 336 1HB TYR 41 2HB TYR 41 -13.256 -1.928 -9.458 337 2HB TYR 41 1HB TYR 41 -12.682 -0.592 -8.460 338 HD1 TYR 41 HD1 TYR 41 -15.655 -2.436 -9.634 339 HD2 TYR 41 HD2 TYR 41 -14.228 0.767 -7.149 340 HE1 TYR 41 HE1 TYR 41 -17.866 -2.319 -8.515 341 HE2 TYR 41 HE2 TYR 41 -16.439 0.884 -6.031 342 HH TYR 41 HH TYR 41 -18.763 -1.530 -6.295 343 H PHE 42 H PHE 42 -14.628 2.146 -9.620 344 HA PHE 42 HA PHE 42 -12.148 3.786 -9.717 345 1HB PHE 42 2HB PHE 42 -13.642 5.715 -9.618 346 2HB PHE 42 1HB PHE 42 -14.203 4.615 -10.876 347 HD1 PHE 42 HD1 PHE 42 -14.795 5.781 -7.403 348 HD2 PHE 42 HD2 PHE 42 -16.306 3.460 -10.689 349 HE1 PHE 42 HE1 PHE 42 -16.993 5.600 -6.265 350 HE2 PHE 42 HE2 PHE 42 -18.503 3.280 -9.552 351 HZ PHE 42 HZ PHE 42 -18.847 4.350 -7.340 352 H LYS 43 H LYS 43 -11.273 4.697 -7.866 353 HA LYS 43 HA LYS 43 -12.772 4.755 -5.356 354 1HB LYS 43 2HB LYS 43 -11.209 2.447 -5.993 355 2HB LYS 43 1HB LYS 43 -10.387 3.326 -4.702 356 1HG LYS 43 2HG LYS 43 -13.250 3.266 -4.239 357 2HG LYS 43 1HG LYS 43 -12.612 1.631 -4.425 358 1HD LYS 43 2HD LYS 43 -10.940 2.033 -2.706 359 2HD LYS 43 1HD LYS 43 -11.422 3.725 -2.584 360 1HE LYS 43 2HE LYS 43 -13.791 2.760 -2.061 361 2HE LYS 43 1HE LYS 43 -12.922 1.269 -1.698 362 1HZ LYS 43 1HZ LYS 43 -11.624 3.491 -0.516 363 2HZ LYS 43 2HZ LYS 43 -12.262 2.104 0.229 364 3HZ LYS 43 3HZ LYS 43 -13.253 3.456 -0.044 365 H ASP 44 H ASP 44 -12.097 6.567 -4.332 366 HA ASP 44 HA ASP 44 -10.799 8.498 -3.942 367 1HB ASP 44 2HB ASP 44 -9.689 6.387 -2.721 368 2HB ASP 44 1HB ASP 44 -8.366 6.779 -3.819 369 H GLY 45 H GLY 45 -11.042 7.684 -6.780 370 1HA GLY 45 2HA GLY 45 -10.197 8.798 -8.718 371 2HA GLY 45 1HA GLY 45 -8.776 9.280 -7.791 372 H ILE 46 H ILE 46 -7.983 6.751 -6.819 373 HA ILE 46 HA ILE 46 -6.513 5.740 -9.064 374 HB ILE 46 HB ILE 46 -7.094 4.322 -6.447 375 1HG1 ILE 46 2HG1 ILE 46 -4.517 5.661 -6.689 376 2HG1 ILE 46 1HG1 ILE 46 -5.854 6.804 -6.815 377 1HG2 ILE 46 1HG2 ILE 46 -4.709 3.455 -7.003 378 2HG2 ILE 46 2HG2 ILE 46 -5.051 4.007 -8.642 379 3HG2 ILE 46 3HG2 ILE 46 -6.066 2.771 -7.897 380 1HD1 ILE 46 1HD1 ILE 46 -4.860 6.017 -4.442 381 2HD1 ILE 46 2HD1 ILE 46 -6.051 4.738 -4.679 382 3HD1 ILE 46 3HD1 ILE 46 -6.562 6.426 -4.661 383 H PHE 47 H PHE 47 -6.704 3.461 -9.914 384 HA PHE 47 HA PHE 47 -9.594 2.752 -10.160 385 1HB PHE 47 2HB PHE 47 -7.258 1.987 -11.938 386 2HB PHE 47 1HB PHE 47 -8.957 1.620 -12.241 387 HD1 PHE 47 HD1 PHE 47 -10.562 3.776 -12.059 388 HD2 PHE 47 HD2 PHE 47 -6.367 3.863 -12.991 389 HE1 PHE 47 HE1 PHE 47 -10.847 5.993 -13.138 390 HE2 PHE 47 HE2 PHE 47 -6.653 6.079 -14.071 391 HZ PHE 47 HZ PHE 47 -8.894 7.143 -14.143 392 H LYS 48 H LYS 48 -9.926 0.291 -10.473 393 HA LYS 48 HA LYS 48 -7.955 -1.320 -8.948 394 1HB LYS 48 2HB LYS 48 -10.453 -0.364 -7.870 395 2HB LYS 48 1HB LYS 48 -10.500 -2.123 -8.003 396 1HG LYS 48 2HG LYS 48 -8.915 -2.410 -6.399 397 2HG LYS 48 1HG LYS 48 -7.949 -1.054 -6.981 398 1HD LYS 48 2HD LYS 48 -8.683 0.064 -5.158 399 2HD LYS 48 1HD LYS 48 -10.233 0.174 -5.993 400 1HE LYS 48 2HE LYS 48 -11.121 -1.681 -4.848 401 2HE LYS 48 1HE LYS 48 -9.526 -2.270 -4.379 402 1HZ LYS 48 1HZ LYS 48 -10.773 0.241 -3.402 403 2HZ LYS 48 2HZ LYS 48 -9.273 -0.391 -2.916 404 3HZ LYS 48 3HZ LYS 48 -10.709 -1.214 -2.535 405 H VAL 49 H VAL 49 -7.822 -3.391 -9.748 406 HA VAL 49 HA VAL 49 -9.753 -4.095 -11.907 407 HB VAL 49 HB VAL 49 -7.010 -5.246 -11.302 408 1HG1 VAL 49 1HG1 VAL 49 -8.008 -6.944 -12.504 409 2HG1 VAL 49 2HG1 VAL 49 -7.485 -5.924 -13.845 410 3HG1 VAL 49 3HG1 VAL 49 -9.157 -5.859 -13.286 411 1HG2 VAL 49 1HG2 VAL 49 -7.003 -3.966 -13.786 412 2HG2 VAL 49 2HG2 VAL 49 -6.266 -3.361 -12.302 413 3HG2 VAL 49 3HG2 VAL 49 -7.902 -2.869 -12.737 414 H ARG 50 H ARG 50 -11.289 -5.554 -11.353 415 HA ARG 50 HA ARG 50 -10.790 -7.334 -9.021 416 1HB ARG 50 2HB ARG 50 -13.302 -6.536 -10.513 417 2HB ARG 50 1HB ARG 50 -13.283 -7.813 -9.296 418 1HG ARG 50 2HG ARG 50 -11.907 -5.574 -8.199 419 2HG ARG 50 1HG ARG 50 -13.416 -4.978 -8.891 420 1HD ARG 50 2HD ARG 50 -13.665 -7.506 -7.384 421 2HD ARG 50 1HD ARG 50 -13.213 -6.107 -6.409 422 HE ARG 50 HE ARG 50 -15.277 -5.022 -7.656 423 1HH1 ARG 50 2HH1 ARG 50 -15.080 -7.531 -5.481 424 2HH1 ARG 50 1HH1 ARG 50 -16.677 -8.145 -5.752 425 1HH2 ARG 50 1HH2 ARG 50 -17.267 -6.136 -8.516 426 2HH2 ARG 50 2HH2 ARG 50 -17.916 -7.355 -7.470 427 H LEU 51 H LEU 51 -10.134 -9.388 -9.456 428 HA LEU 51 HA LEU 51 -10.358 -10.422 -12.204 429 1HB LEU 51 2HB LEU 51 -8.495 -10.752 -10.187 430 2HB LEU 51 1HB LEU 51 -9.377 -12.279 -10.156 431 HG LEU 51 HG LEU 51 -7.555 -12.506 -11.734 432 1HD1 LEU 51 1HD1 LEU 51 -8.851 -12.888 -13.849 433 2HD1 LEU 51 2HD1 LEU 51 -10.223 -12.067 -13.107 434 3HD1 LEU 51 3HD1 LEU 51 -9.625 -13.579 -12.424 435 1HD2 LEU 51 1HD2 LEU 51 -8.366 -10.581 -13.728 436 2HD2 LEU 51 2HD2 LEU 51 -6.802 -10.750 -12.930 437 3HD2 LEU 51 3HD2 LEU 51 -8.065 -9.759 -12.198 438 H LEU 52 H LEU 52 -12.691 -10.648 -12.293 439 HA LEU 52 HA LEU 52 -14.269 -12.114 -10.453 440 1HB LEU 52 2HB LEU 52 -14.609 -10.957 -13.034 441 2HB LEU 52 1HB LEU 52 -15.187 -12.621 -13.126 442 HG LEU 52 HG LEU 52 -16.450 -12.136 -10.945 443 1HD1 LEU 52 1HD1 LEU 52 -15.511 -10.149 -10.127 444 2HD1 LEU 52 2HD1 LEU 52 -17.004 -9.579 -10.873 445 3HD1 LEU 52 3HD1 LEU 52 -15.468 -9.399 -11.722 446 1HD2 LEU 52 1HD2 LEU 52 -17.421 -12.223 -13.305 447 2HD2 LEU 52 2HD2 LEU 52 -17.300 -10.464 -13.326 448 3HD2 LEU 52 3HD2 LEU 52 -18.338 -11.262 -12.144 449 H GLY 53 H GLY 53 -14.635 -14.310 -10.177 450 1HA GLY 53 2HA GLY 53 -14.637 -16.602 -11.115 451 2HA GLY 53 1HA GLY 53 -13.194 -16.163 -12.029 452 H TYR 54 H TYR 54 -11.747 -14.862 -9.968 453 HA TYR 54 HA TYR 54 -10.773 -17.214 -8.521 454 1HB TYR 54 2HB TYR 54 -9.618 -14.848 -9.434 455 2HB TYR 54 1HB TYR 54 -9.652 -14.652 -7.681 456 HD1 TYR 54 HD1 TYR 54 -8.989 -17.404 -10.158 457 HD2 TYR 54 HD2 TYR 54 -7.784 -15.429 -6.535 458 HE1 TYR 54 HE1 TYR 54 -7.072 -18.964 -9.945 459 HE2 TYR 54 HE2 TYR 54 -5.865 -16.990 -6.324 460 HH TYR 54 HH TYR 54 -4.502 -18.512 -8.361 461 H GLU 55 H GLU 55 -12.675 -14.348 -7.816 462 HA GLU 55 HA GLU 55 -13.893 -13.771 -5.896 463 1HB GLU 55 2HB GLU 55 -14.360 -16.366 -6.160 464 2HB GLU 55 1HB GLU 55 -13.362 -16.472 -4.709 465 1HG GLU 55 2HG GLU 55 -15.286 -14.310 -4.482 466 2HG GLU 55 1HG GLU 55 -16.095 -15.844 -4.814 467 H GLY 56 H GLY 56 -12.131 -12.333 -5.272 468 1HA GLY 56 2HA GLY 56 -11.242 -11.869 -2.922 469 2HA GLY 56 1HA GLY 56 -10.433 -13.431 -3.067 470 H HIS 57 H HIS 57 -10.032 -12.730 -6.044 471 HA HIS 57 HA HIS 57 -7.369 -11.646 -5.726 472 1HB HIS 57 2HB HIS 57 -8.848 -12.964 -7.765 473 2HB HIS 57 1HB HIS 57 -8.282 -11.436 -8.440 474 HD1 HIS 57 HD1 HIS 57 -6.944 -13.840 -9.591 475 HD2 HIS 57 HD2 HIS 57 -5.560 -12.045 -6.092 476 HE1 HIS 57 HE1 HIS 57 -4.519 -14.525 -9.345 477 H GLU 58 H GLU 58 -7.521 -9.559 -4.834 478 HA GLU 58 HA GLU 58 -9.017 -7.542 -6.451 479 1HB GLU 58 2HB GLU 58 -9.196 -7.967 -3.782 480 2HB GLU 58 1HB GLU 58 -7.883 -6.790 -3.810 481 1HG GLU 58 2HG GLU 58 -9.217 -5.145 -4.846 482 2HG GLU 58 1HG GLU 58 -10.406 -6.327 -5.394 483 H CYS 59 H CYS 59 -7.601 -6.759 -7.962 484 HA CYS 59 HA CYS 59 -4.808 -6.178 -7.102 485 1HB CYS 59 2HB CYS 59 -5.772 -5.918 -9.937 486 2HB CYS 59 1HB CYS 59 -4.166 -6.337 -9.343 487 HG CYS 59 HG CYS 59 -6.277 -8.443 -8.647 488 H ILE 60 H ILE 60 -3.901 -4.068 -7.740 489 HA ILE 60 HA ILE 60 -5.995 -1.949 -7.661 490 HB ILE 60 HB ILE 60 -4.252 -0.477 -6.801 491 1HG1 ILE 60 2HG1 ILE 60 -2.415 -2.858 -7.208 492 2HG1 ILE 60 1HG1 ILE 60 -2.385 -1.367 -8.149 493 1HG2 ILE 60 1HG2 ILE 60 -5.204 -2.801 -5.511 494 2HG2 ILE 60 2HG2 ILE 60 -4.578 -1.340 -4.746 495 3HG2 ILE 60 3HG2 ILE 60 -3.494 -2.686 -5.096 496 1HD1 ILE 60 1HD1 ILE 60 -2.261 -0.442 -5.546 497 2HD1 ILE 60 2HD1 ILE 60 -0.879 -0.633 -6.625 498 3HD1 ILE 60 3HD1 ILE 60 -1.288 -1.912 -5.483 499 H LEU 61 H LEU 61 -6.275 -0.695 -9.449 500 HA LEU 61 HA LEU 61 -4.377 -1.080 -11.697 501 1HB LEU 61 2HB LEU 61 -6.748 -1.462 -12.190 502 2HB LEU 61 1HB LEU 61 -7.142 0.161 -11.624 503 HG LEU 61 HG LEU 61 -5.573 1.066 -13.380 504 1HD1 LEU 61 1HD1 LEU 61 -5.767 -1.497 -14.868 505 2HD1 LEU 61 2HD1 LEU 61 -4.622 -1.467 -13.527 506 3HD1 LEU 61 3HD1 LEU 61 -4.467 -0.305 -14.845 507 1HD2 LEU 61 1HD2 LEU 61 -7.237 1.058 -15.021 508 2HD2 LEU 61 2HD2 LEU 61 -8.159 0.609 -13.587 509 3HD2 LEU 61 3HD2 LEU 61 -7.652 -0.632 -14.733 510 H LEU 62 H LEU 62 -2.742 0.365 -11.633 511 HA LEU 62 HA LEU 62 -3.352 3.181 -10.846 512 1HB LEU 62 2HB LEU 62 -0.978 1.416 -10.617 513 2HB LEU 62 1HB LEU 62 -0.645 3.098 -11.031 514 HG LEU 62 HG LEU 62 -0.667 2.714 -8.569 515 1HD1 LEU 62 1HD1 LEU 62 -1.301 4.871 -8.520 516 2HD1 LEU 62 2HD1 LEU 62 -2.987 4.357 -8.558 517 3HD1 LEU 62 3HD1 LEU 62 -2.130 4.682 -10.065 518 1HD2 LEU 62 1HD2 LEU 62 -2.359 1.616 -7.531 519 2HD2 LEU 62 2HD2 LEU 62 -2.827 1.079 -9.145 520 3HD2 LEU 62 3HD2 LEU 62 -3.591 2.499 -8.431 521 H ASP 63 H ASP 63 -3.289 1.392 -13.571 522 HA ASP 63 HA ASP 63 -2.924 1.903 -15.836 523 1HB ASP 63 2HB ASP 63 -3.443 4.525 -14.504 524 2HB ASP 63 1HB ASP 63 -2.761 4.572 -16.129 525 H TYR 64 H TYR 64 -0.659 1.402 -14.073 526 HA TYR 64 HA TYR 64 1.686 1.506 -14.184 527 1HB TYR 64 2HB TYR 64 1.320 1.175 -16.612 528 2HB TYR 64 1HB TYR 64 1.125 2.916 -16.814 529 HD1 TYR 64 HD1 TYR 64 3.539 0.549 -15.167 530 HD2 TYR 64 HD2 TYR 64 2.992 4.087 -17.542 531 HE1 TYR 64 HE1 TYR 64 6.000 0.808 -15.347 532 HE2 TYR 64 HE2 TYR 64 5.453 4.347 -17.721 533 HH TYR 64 HH TYR 64 7.658 1.895 -16.433 534 H LEU 65 H LEU 65 0.180 3.556 -12.818 535 HA LEU 65 HA LEU 65 1.166 6.182 -13.438 536 1HB LEU 65 2HB LEU 65 -0.623 5.060 -11.590 537 2HB LEU 65 1HB LEU 65 0.643 5.797 -10.608 538 HG LEU 65 HG LEU 65 -1.116 7.440 -11.085 539 1HD1 LEU 65 1HD1 LEU 65 1.532 7.871 -11.274 540 2HD1 LEU 65 2HD1 LEU 65 0.351 9.156 -11.524 541 3HD1 LEU 65 3HD1 LEU 65 1.064 8.332 -12.910 542 1HD2 LEU 65 1HD2 LEU 65 -2.196 7.169 -13.058 543 2HD2 LEU 65 2HD2 LEU 65 -0.848 6.273 -13.759 544 3HD2 LEU 65 3HD2 LEU 65 -0.842 8.037 -13.783 545 H ASN 66 H ASN 66 2.178 3.840 -10.917 546 HA ASN 66 HA ASN 66 4.338 3.484 -10.032 547 1HB ASN 66 2HB ASN 66 4.898 4.383 -12.540 548 2HB ASN 66 1HB ASN 66 5.604 5.677 -11.572 549 1HD2 ASN 66 1HD2 ASN 66 7.827 5.175 -11.610 550 2HD2 ASN 66 2HD2 ASN 66 8.472 3.679 -11.132 551 H TYR 67 H TYR 67 3.235 4.517 -8.149 552 HA TYR 67 HA TYR 67 3.293 6.036 -6.361 553 1HB TYR 67 2HB TYR 67 5.848 5.872 -7.111 554 2HB TYR 67 1HB TYR 67 5.560 7.540 -7.605 555 HD1 TYR 67 HD1 TYR 67 4.649 5.323 -4.705 556 HD2 TYR 67 HD2 TYR 67 6.083 9.155 -6.020 557 HE1 TYR 67 HE1 TYR 67 4.848 6.059 -2.343 558 HE2 TYR 67 HE2 TYR 67 6.283 9.891 -3.659 559 HH TYR 67 HH TYR 67 5.250 7.781 -0.983 560 H ARG 68 H ARG 68 3.347 8.610 -6.038 561 HA ARG 68 HA ARG 68 2.322 10.651 -6.585 562 1HB ARG 68 2HB ARG 68 3.915 10.083 -8.712 563 2HB ARG 68 1HB ARG 68 2.338 10.103 -9.502 564 1HG ARG 68 2HG ARG 68 2.274 12.349 -9.412 565 2HG ARG 68 1HG ARG 68 2.520 12.316 -7.665 566 1HD ARG 68 2HD ARG 68 5.003 11.914 -8.183 567 2HD ARG 68 1HD ARG 68 4.617 12.380 -9.840 568 HE ARG 68 HE ARG 68 3.745 14.290 -7.781 569 1HH1 ARG 68 1HH2 ARG 68 6.735 13.278 -8.889 570 2HH1 ARG 68 2HH2 ARG 68 7.231 14.819 -9.506 571 1HH2 ARG 68 2HH1 ARG 68 4.124 16.294 -9.067 572 2HH2 ARG 68 1HH1 ARG 68 5.753 16.526 -9.606 573 H GLN 69 H GLN 69 0.496 11.284 -8.622 574 HA GLN 69 HA GLN 69 -1.449 9.256 -9.134 575 1HB GLN 69 2HB GLN 69 -3.192 10.211 -7.477 576 2HB GLN 69 1HB GLN 69 -1.961 9.124 -6.830 577 1HG GLN 69 2HG GLN 69 -0.758 10.869 -5.829 578 2HG GLN 69 1HG GLN 69 -1.473 12.092 -6.881 579 1HE2 GLN 69 1HE2 GLN 69 -1.913 10.298 -3.901 580 2HE2 GLN 69 2HE2 GLN 69 -3.358 11.055 -3.433 581 H ASP 70 H ASP 70 -2.224 10.119 -10.996 582 HA ASP 70 HA ASP 70 -2.491 13.056 -11.242 583 1HB ASP 70 2HB ASP 70 -3.249 11.111 -13.405 584 2HB ASP 70 1HB ASP 70 -2.565 12.731 -13.555 585 H THR 71 H THR 71 -4.619 13.625 -12.635 586 HA THR 71 HA THR 71 -6.961 12.050 -11.819 587 HB THR 71 HB THR 71 -7.844 14.444 -10.899 588 HG1 THR 71 HG1 THR 71 -5.340 14.349 -9.708 589 1HG2 THR 71 1HG2 THR 71 -8.016 12.271 -9.752 590 2HG2 THR 71 2HG2 THR 71 -7.465 13.525 -8.640 591 3HG2 THR 71 3HG2 THR 71 -6.312 12.369 -9.306 592 H LEU 72 H LEU 72 -6.444 12.273 -14.354 593 HA LEU 72 HA LEU 72 -8.165 14.518 -15.326 594 1HB LEU 72 2HB LEU 72 -5.864 14.986 -15.980 595 2HB LEU 72 1HB LEU 72 -5.690 13.361 -16.643 596 HG LEU 72 HG LEU 72 -8.015 14.475 -17.825 597 1HD1 LEU 72 1HD1 LEU 72 -5.688 16.379 -17.607 598 2HD1 LEU 72 2HD1 LEU 72 -7.408 16.710 -17.395 599 3HD1 LEU 72 3HD1 LEU 72 -6.758 16.418 -19.009 600 1HD2 LEU 72 1HD2 LEU 72 -5.861 12.967 -18.569 601 2HD2 LEU 72 2HD2 LEU 72 -5.491 14.494 -19.372 602 3HD2 LEU 72 3HD2 LEU 72 -7.012 13.664 -19.709 603 H ASP 73 H ASP 73 -9.598 12.426 -14.793 604 HA ASP 73 HA ASP 73 -10.088 11.149 -17.427 605 1HB ASP 73 2HB ASP 73 -10.486 8.953 -16.167 606 2HB ASP 73 1HB ASP 73 -8.802 9.442 -16.361 607 H ARG 74 H ARG 74 -11.845 12.828 -17.206 608 HA ARG 74 HA ARG 74 -13.880 12.428 -15.158 609 1HB ARG 74 2HB ARG 74 -14.211 13.947 -17.753 610 2HB ARG 74 1HB ARG 74 -15.059 14.207 -16.227 611 1HG ARG 74 2HG ARG 74 -13.412 15.533 -15.440 612 2HG ARG 74 1HG ARG 74 -12.168 14.365 -15.890 613 1HD ARG 74 2HD ARG 74 -11.727 16.334 -17.178 614 2HD ARG 74 1HD ARG 74 -12.453 15.173 -18.290 615 HE ARG 74 HE ARG 74 -14.385 16.979 -17.028 616 1HH1 ARG 74 1HH2 ARG 74 -14.453 15.662 -19.810 617 2HH1 ARG 74 2HH2 ARG 74 -14.262 17.052 -20.826 618 1HH2 ARG 74 2HH1 ARG 74 -13.166 19.108 -18.259 619 2HH2 ARG 74 1HH1 ARG 74 -13.534 19.002 -19.948 620 H LEU 75 H LEU 75 -13.893 11.981 -18.719 621 HA LEU 75 HA LEU 75 -16.408 10.664 -18.841 622 1HB LEU 75 2HB LEU 75 -14.101 11.050 -20.614 623 2HB LEU 75 1HB LEU 75 -14.944 9.527 -20.896 624 HG LEU 75 HG LEU 75 -17.105 10.840 -20.945 625 1HD1 LEU 75 1HD1 LEU 75 -15.814 12.830 -19.774 626 2HD1 LEU 75 2HD1 LEU 75 -17.118 13.164 -20.913 627 3HD1 LEU 75 3HD1 LEU 75 -15.437 13.283 -21.435 628 1HD2 LEU 75 1HD2 LEU 75 -15.007 10.650 -22.919 629 2HD2 LEU 75 2HD2 LEU 75 -15.909 12.147 -23.157 630 3HD2 LEU 75 3HD2 LEU 75 -16.754 10.599 -23.159 631 H LYS 76 H LYS 76 -13.129 9.339 -18.426 632 HA LYS 76 HA LYS 76 -13.727 6.591 -18.561 633 1HB LYS 76 2HB LYS 76 -11.565 8.226 -17.594 634 2HB LYS 76 1HB LYS 76 -11.880 6.935 -16.433 635 1HG LYS 76 2HG LYS 76 -10.941 5.417 -17.800 636 2HG LYS 76 1HG LYS 76 -12.030 5.878 -19.110 637 1HD LYS 76 2HD LYS 76 -10.305 6.848 -20.178 638 2HD LYS 76 1HD LYS 76 -10.124 7.971 -18.829 639 1HE LYS 76 2HE LYS 76 -9.047 5.271 -18.322 640 2HE LYS 76 1HE LYS 76 -8.213 6.164 -19.593 641 1HZ LYS 76 1HZ LYS 76 -8.509 6.821 -16.745 642 2HZ LYS 76 2HZ LYS 76 -8.333 8.083 -17.869 643 3HZ LYS 76 3HZ LYS 76 -7.128 6.894 -17.729 644 H GLU 77 H GLU 77 -14.496 8.901 -16.053 645 HA GLU 77 HA GLU 77 -14.907 7.129 -13.878 646 1HB GLU 77 2HB GLU 77 -16.328 9.694 -14.638 647 2HB GLU 77 1HB GLU 77 -16.579 8.862 -13.103 648 1HG GLU 77 2HG GLU 77 -13.744 9.258 -13.793 649 2HG GLU 77 1HG GLU 77 -14.639 10.759 -13.551 650 H ARG 78 H ARG 78 -17.133 8.072 -16.505 651 HA ARG 78 HA ARG 78 -19.283 6.402 -15.462 652 1HB ARG 78 2HB ARG 78 -19.946 8.302 -16.755 653 2HB ARG 78 1HB ARG 78 -18.872 7.858 -18.081 654 1HG ARG 78 2HG ARG 78 -21.261 7.287 -18.543 655 2HG ARG 78 1HG ARG 78 -20.206 5.874 -18.556 656 1HD ARG 78 2HD ARG 78 -21.447 4.926 -16.938 657 2HD ARG 78 1HD ARG 78 -21.096 6.285 -15.870 658 HE ARG 78 HE ARG 78 -23.119 7.402 -16.792 659 1HH1 ARG 78 1HH2 ARG 78 -22.688 4.613 -18.590 660 2HH1 ARG 78 2HH2 ARG 78 -24.314 4.038 -18.422 661 1HH2 ARG 78 2HH1 ARG 78 -25.199 6.428 -16.071 662 2HH2 ARG 78 1HH1 ARG 78 -25.735 5.065 -16.997 663 H LEU 79 H LEU 79 -16.669 5.994 -17.787 664 HA LEU 79 HA LEU 79 -17.762 3.519 -18.884 665 1HB LEU 79 2HB LEU 79 -15.176 5.022 -19.158 666 2HB LEU 79 1HB LEU 79 -15.276 3.353 -19.721 667 HG LEU 79 HG LEU 79 -17.587 4.399 -20.746 668 1HD1 LEU 79 1HD1 LEU 79 -17.481 6.633 -21.030 669 2HD1 LEU 79 2HD1 LEU 79 -15.846 6.526 -21.682 670 3HD1 LEU 79 3HD1 LEU 79 -16.094 6.637 -19.940 671 1HD2 LEU 79 1HD2 LEU 79 -14.852 4.475 -22.064 672 2HD2 LEU 79 2HD2 LEU 79 -16.408 4.375 -22.892 673 3HD2 LEU 79 3HD2 LEU 79 -15.846 3.027 -21.901 674 H VAL 80 H VAL 80 -16.005 4.355 -16.061 675 HA VAL 80 HA VAL 80 -14.318 2.236 -15.522 676 HB VAL 80 HB VAL 80 -16.380 3.331 -13.587 677 1HG1 VAL 80 1HG1 VAL 80 -14.606 2.713 -11.907 678 2HG1 VAL 80 2HG1 VAL 80 -13.749 1.879 -13.203 679 3HG1 VAL 80 3HG1 VAL 80 -15.349 1.328 -12.708 680 1HG2 VAL 80 1HG2 VAL 80 -13.717 4.323 -14.577 681 2HG2 VAL 80 2HG2 VAL 80 -14.232 4.697 -12.932 682 3HG2 VAL 80 3HG2 VAL 80 -15.205 5.230 -14.302 683 H GLY 81 H GLY 81 -14.767 0.226 -14.196 684 1HA GLY 81 2HA GLY 81 -16.125 -1.677 -13.677 685 2HA GLY 81 1HA GLY 81 -17.466 -0.914 -14.530 686 H ARG 82 H ARG 82 -16.418 -0.380 -16.996 687 HA ARG 82 HA ARG 82 -16.742 -2.627 -18.528 688 1HB ARG 82 2HB ARG 82 -15.322 -0.091 -18.880 689 2HB ARG 82 1HB ARG 82 -14.642 -1.391 -19.858 690 1HG ARG 82 2HG ARG 82 -16.897 -1.901 -20.739 691 2HG ARG 82 1HG ARG 82 -17.564 -0.580 -19.779 692 1HD ARG 82 2HD ARG 82 -17.146 0.751 -21.556 693 2HD ARG 82 1HD ARG 82 -15.441 0.604 -21.133 694 HE ARG 82 HE ARG 82 -16.356 -1.617 -22.769 695 1HH1 ARG 82 1HH2 ARG 82 -16.565 1.598 -23.509 696 2HH1 ARG 82 2HH2 ARG 82 -15.389 1.591 -24.780 697 1HH2 ARG 82 2HH1 ARG 82 -14.270 -1.617 -24.084 698 2HH2 ARG 82 1HH1 ARG 82 -14.089 -0.230 -25.105 699 H VAL 83 H VAL 83 -15.266 -4.165 -19.537 700 HA VAL 83 HA VAL 83 -13.079 -4.949 -17.682 701 HB VAL 83 HB VAL 83 -14.112 -6.556 -20.024 702 1HG1 VAL 83 1HG1 VAL 83 -13.188 -7.673 -17.407 703 2HG1 VAL 83 2HG1 VAL 83 -11.972 -7.025 -18.508 704 3HG1 VAL 83 3HG1 VAL 83 -13.024 -8.340 -19.031 705 1HG2 VAL 83 1HG2 VAL 83 -15.210 -7.379 -17.480 706 2HG2 VAL 83 2HG2 VAL 83 -16.060 -6.963 -18.969 707 3HG2 VAL 83 3HG2 VAL 83 -15.646 -5.701 -17.808 708 H ILE 84 H ILE 84 -10.951 -5.219 -18.435 709 HA ILE 84 HA ILE 84 -10.372 -4.656 -21.278 710 HB ILE 84 HB ILE 84 -8.919 -2.806 -20.866 711 1HG1 ILE 84 2HG1 ILE 84 -7.876 -3.568 -18.806 712 2HG1 ILE 84 1HG1 ILE 84 -8.535 -1.956 -18.539 713 1HG2 ILE 84 1HG2 ILE 84 -11.491 -2.460 -20.753 714 2HG2 ILE 84 2HG2 ILE 84 -10.448 -1.143 -20.222 715 3HG2 ILE 84 3HG2 ILE 84 -11.228 -2.184 -19.033 716 1HD1 ILE 84 1HD1 ILE 84 -10.674 -3.376 -17.781 717 2HD1 ILE 84 2HD1 ILE 84 -9.366 -3.006 -16.661 718 3HD1 ILE 84 3HD1 ILE 84 -9.436 -4.583 -17.446 719 H LYS 85 H LYS 85 -8.010 -5.016 -21.738 720 HA LYS 85 HA LYS 85 -7.005 -7.222 -20.012 721 1HB LYS 85 2HB LYS 85 -7.245 -7.727 -22.406 722 2HB LYS 85 1HB LYS 85 -6.204 -6.360 -22.809 723 1HG LYS 85 2HG LYS 85 -4.418 -7.462 -21.353 724 2HG LYS 85 1HG LYS 85 -5.445 -8.897 -21.346 725 1HD LYS 85 2HD LYS 85 -4.899 -7.649 -23.994 726 2HD LYS 85 1HD LYS 85 -3.559 -8.498 -23.220 727 1HE LYS 85 2HE LYS 85 -4.537 -10.276 -24.318 728 2HE LYS 85 1HE LYS 85 -5.450 -10.336 -22.809 729 1HZ LYS 85 1HZ LYS 85 -7.206 -9.078 -23.811 730 2HZ LYS 85 2HZ LYS 85 -6.864 -10.413 -24.805 731 3HZ LYS 85 3HZ LYS 85 -6.314 -8.864 -25.238 732 H THR 86 H THR 86 -5.776 -6.325 -18.392 733 HA THR 86 HA THR 86 -3.734 -4.292 -19.198 734 HB THR 86 HB THR 86 -3.704 -3.746 -16.717 735 HG1 THR 86 HG1 THR 86 -4.939 -5.900 -16.442 736 1HG2 THR 86 1HG2 THR 86 -4.872 -2.160 -17.945 737 2HG2 THR 86 2HG2 THR 86 -6.148 -2.751 -16.882 738 3HG2 THR 86 3HG2 THR 86 -6.043 -3.336 -18.542 739 H ARG 87 H ARG 87 -1.755 -4.437 -17.561 740 HA ARG 87 HA ARG 87 -0.898 -7.289 -17.628 741 1HB ARG 87 2HB ARG 87 1.018 -5.121 -16.912 742 2HB ARG 87 1HB ARG 87 1.261 -6.547 -17.919 743 1HG ARG 87 2HG ARG 87 -0.151 -3.978 -18.675 744 2HG ARG 87 1HG ARG 87 1.315 -4.651 -19.391 745 1HD ARG 87 2HD ARG 87 -0.714 -6.650 -19.542 746 2HD ARG 87 1HD ARG 87 -1.403 -5.141 -20.140 747 HE ARG 87 HE ARG 87 1.100 -6.363 -21.238 748 1HH1 ARG 87 1HH2 ARG 87 -1.998 -6.048 -22.164 749 2HH1 ARG 87 2HH2 ARG 87 -1.725 -5.032 -23.540 750 1HH2 ARG 87 2HH1 ARG 87 1.575 -4.357 -22.719 751 2HH2 ARG 87 1HH1 ARG 87 0.298 -4.074 -23.853 752 H VAL 88 H VAL 88 0.160 -8.205 -15.741 753 HA VAL 88 HA VAL 88 -0.883 -7.034 -13.215 754 HB VAL 88 HB VAL 88 0.251 -9.766 -13.883 755 1HG1 VAL 88 1HG1 VAL 88 -0.768 -10.113 -11.435 756 2HG1 VAL 88 2HG1 VAL 88 -0.327 -8.412 -11.282 757 3HG1 VAL 88 3HG1 VAL 88 0.906 -9.611 -11.673 758 1HG2 VAL 88 1HG2 VAL 88 -2.438 -9.428 -12.697 759 2HG2 VAL 88 2HG2 VAL 88 -1.916 -10.472 -14.019 760 3HG2 VAL 88 3HG2 VAL 88 -2.259 -8.769 -14.322 761 H VAL 89 H VAL 89 0.538 -5.631 -12.301 762 HA VAL 89 HA VAL 89 3.332 -5.606 -12.850 763 HB VAL 89 HB VAL 89 2.191 -4.480 -10.309 764 1HG1 VAL 89 1HG1 VAL 89 4.546 -4.121 -12.011 765 2HG1 VAL 89 2HG1 VAL 89 4.294 -3.648 -10.330 766 3HG1 VAL 89 3HG1 VAL 89 3.740 -2.598 -11.634 767 1HG2 VAL 89 1HG2 VAL 89 1.581 -3.700 -13.145 768 2HG2 VAL 89 2HG2 VAL 89 1.698 -2.446 -11.911 769 3HG2 VAL 89 3HG2 VAL 89 0.510 -3.737 -11.746 770 H ARG 90 H ARG 90 1.446 -7.132 -10.269 771 HA ARG 90 HA ARG 90 3.432 -9.107 -9.743 772 1HB ARG 90 2HB ARG 90 4.049 -6.607 -8.587 773 2HB ARG 90 1HB ARG 90 3.442 -7.610 -7.268 774 1HG ARG 90 2HG ARG 90 5.093 -9.323 -8.740 775 2HG ARG 90 1HG ARG 90 5.968 -7.792 -8.701 776 1HD ARG 90 2HD ARG 90 5.013 -8.017 -6.114 777 2HD ARG 90 1HD ARG 90 5.424 -9.681 -6.527 778 HE ARG 90 HE ARG 90 7.649 -8.324 -7.359 779 1HH1 ARG 90 2HH1 ARG 90 5.916 -8.811 -4.439 780 2HH1 ARG 90 1HH1 ARG 90 7.167 -8.172 -3.425 781 1HH2 ARG 90 1HH2 ARG 90 9.215 -7.262 -6.070 782 2HH2 ARG 90 2HH2 ARG 90 9.034 -7.296 -4.349 783 H ALA 91 H ALA 91 1.766 -10.570 -9.514 784 HA ALA 91 HA ALA 91 -0.424 -9.958 -7.605 785 1HB ALA 91 1HB ALA 91 -1.449 -10.928 -9.427 786 2HB ALA 91 2HB ALA 91 -1.073 -12.397 -8.526 787 3HB ALA 91 3HB ALA 91 -0.027 -11.882 -9.850 788 H ASP 92 H ASP 92 -0.309 -10.714 -5.551 789 HA ASP 92 HA ASP 92 1.505 -13.031 -5.027 790 1HB ASP 92 2HB ASP 92 1.524 -10.394 -3.914 791 2HB ASP 92 1HB ASP 92 1.080 -11.530 -2.640 792 H GLY 93 H GLY 93 -1.438 -11.345 -3.963 793 1HA GLY 93 2HA GLY 93 -2.815 -13.861 -3.539 794 2HA GLY 93 1HA GLY 93 -2.376 -13.093 -2.014 795 H LEU 94 H LEU 94 -4.365 -12.376 -1.305 796 HA LEU 94 HA LEU 94 -6.510 -11.418 -2.832 797 1HB LEU 94 2HB LEU 94 -5.647 -11.219 -0.037 798 2HB LEU 94 1HB LEU 94 -6.606 -9.835 -0.562 799 HG LEU 94 HG LEU 94 -8.027 -11.892 -1.660 800 1HD1 LEU 94 1HD1 LEU 94 -6.405 -12.955 0.572 801 2HD1 LEU 94 2HD1 LEU 94 -7.201 -13.811 -0.750 802 3HD1 LEU 94 3HD1 LEU 94 -8.128 -13.319 0.667 803 1HD2 LEU 94 1HD2 LEU 94 -8.375 -10.940 1.196 804 2HD2 LEU 94 2HD2 LEU 94 -9.637 -11.467 0.082 805 3HD2 LEU 94 3HD2 LEU 94 -8.782 -9.952 -0.207 806 H TYR 95 H TYR 95 -3.494 -9.839 -2.074 807 HA TYR 95 HA TYR 95 -4.550 -7.325 -3.301 808 1HB TYR 95 2HB TYR 95 -2.096 -7.694 -1.553 809 2HB TYR 95 1HB TYR 95 -2.724 -6.160 -2.157 810 HD1 TYR 95 HD1 TYR 95 -2.574 -8.097 0.686 811 HD2 TYR 95 HD2 TYR 95 -5.462 -6.021 -1.726 812 HE1 TYR 95 HE1 TYR 95 -4.099 -7.953 2.636 813 HE2 TYR 95 HE2 TYR 95 -6.988 -5.877 0.224 814 HH TYR 95 HH TYR 95 -6.805 -7.711 2.840 815 H VAL 96 H VAL 96 -3.811 -6.871 -5.312 816 HA VAL 96 HA VAL 96 -1.160 -7.986 -6.129 817 HB VAL 96 HB VAL 96 -3.775 -8.080 -7.652 818 1HG1 VAL 96 1HG1 VAL 96 -2.357 -9.056 -9.504 819 2HG1 VAL 96 2HG1 VAL 96 -0.936 -8.496 -8.625 820 3HG1 VAL 96 3HG1 VAL 96 -2.113 -7.331 -9.231 821 1HG2 VAL 96 1HG2 VAL 96 -2.453 -10.516 -7.827 822 2HG2 VAL 96 2HG2 VAL 96 -3.771 -10.144 -6.716 823 3HG2 VAL 96 3HG2 VAL 96 -2.098 -9.982 -6.183 824 H ASP 97 H ASP 97 -0.328 -6.811 -8.128 825 HA ASP 97 HA ASP 97 -1.132 -3.936 -7.989 826 1HB ASP 97 2HB ASP 97 1.501 -5.257 -8.684 827 2HB ASP 97 1HB ASP 97 1.183 -3.545 -8.964 828 H LEU 98 H LEU 98 -1.480 -2.827 -9.993 829 HA LEU 98 HA LEU 98 -1.431 -4.569 -12.415 830 1HB LEU 98 2HB LEU 98 -3.754 -3.866 -11.083 831 2HB LEU 98 1HB LEU 98 -3.654 -2.668 -12.374 832 HG LEU 98 HG LEU 98 -4.867 -4.758 -13.053 833 1HD1 LEU 98 1HD1 LEU 98 -3.983 -3.530 -14.859 834 2HD1 LEU 98 2HD1 LEU 98 -3.319 -5.145 -15.111 835 3HD1 LEU 98 3HD1 LEU 98 -2.318 -3.881 -14.400 836 1HD2 LEU 98 1HD2 LEU 98 -2.611 -6.426 -13.543 837 2HD2 LEU 98 2HD2 LEU 98 -3.978 -6.752 -12.477 838 3HD2 LEU 98 3HD2 LEU 98 -2.540 -5.950 -11.848 839 H ARG 99 H ARG 99 -0.466 -3.629 -14.101 840 HA ARG 99 HA ARG 99 -0.272 -0.644 -14.153 841 1HB ARG 99 2HB ARG 99 1.934 -0.880 -15.191 842 2HB ARG 99 1HB ARG 99 1.916 -1.745 -13.654 843 1HG ARG 99 2HG ARG 99 2.581 -3.585 -14.768 844 2HG ARG 99 1HG ARG 99 1.002 -3.605 -15.553 845 1HD ARG 99 2HD ARG 99 2.016 -3.183 -17.516 846 2HD ARG 99 1HD ARG 99 2.527 -1.621 -16.878 847 HE ARG 99 HE ARG 99 4.304 -3.672 -15.945 848 1HH1 ARG 99 1HH2 ARG 99 4.276 -4.525 -18.741 849 2HH1 ARG 99 2HH2 ARG 99 5.431 -3.477 -19.495 850 1HH2 ARG 99 2HH1 ARG 99 5.421 -1.169 -16.907 851 2HH2 ARG 99 1HH1 ARG 99 6.079 -1.577 -18.457 852 H ARG 100 H ARG 100 -0.989 0.275 -16.047 853 HA ARG 100 HA ARG 100 -2.030 -1.556 -18.122 854 1HB ARG 100 2HB ARG 100 -3.308 0.464 -17.153 855 2HB ARG 100 1HB ARG 100 -2.232 1.456 -18.138 856 1HG ARG 100 2HG ARG 100 -2.939 -0.236 -20.047 857 2HG ARG 100 1HG ARG 100 -4.343 -0.485 -19.007 858 1HD ARG 100 2HD ARG 100 -3.790 2.332 -19.188 859 2HD ARG 100 1HD ARG 100 -3.894 1.654 -20.813 860 HE ARG 100 HE ARG 100 -6.110 0.584 -19.751 861 1HH1 ARG 100 1HH2 ARG 100 -4.969 3.747 -20.240 862 2HH1 ARG 100 2HH2 ARG 100 -6.380 4.522 -19.601 863 1HH2 ARG 100 2HH1 ARG 100 -7.851 1.565 -18.543 864 2HH2 ARG 100 1HH1 ARG 100 -8.011 3.286 -18.640 865 H PHE 101 H PHE 101 -1.401 -1.387 -20.340 866 HA PHE 101 HA PHE 101 1.105 0.172 -20.818 867 1HB PHE 101 2HB PHE 101 1.493 -2.321 -20.496 868 2HB PHE 101 1HB PHE 101 0.552 -2.576 -21.966 869 HD1 PHE 101 HD1 PHE 101 3.689 -1.252 -20.569 870 HD2 PHE 101 HD2 PHE 101 1.388 -1.843 -24.150 871 HE1 PHE 101 HE1 PHE 101 5.694 -0.752 -21.941 872 HE2 PHE 101 HE2 PHE 101 3.394 -1.342 -25.522 873 HZ PHE 101 HZ PHE 101 5.547 -0.796 -24.416 874 H PHE 102 HN PHE 102 1.415 0.779 -23.080 875 HA PHE 102 HA PHE 102 -1.051 1.561 -24.370 876 1HB PHE 102 2HB PHE 102 1.638 2.312 -24.539 877 2HB PHE 102 1HB PHE 102 1.283 1.604 -26.114 878 HD1 PHE 102 HD1 PHE 102 -1.606 2.233 -26.387 879 HD2 PHE 102 HD2 PHE 102 1.650 4.642 -24.949 880 HE1 PHE 102 HE1 PHE 102 -2.839 4.287 -27.034 881 HE2 PHE 102 HE2 PHE 102 0.417 6.696 -25.597 882 HZ PHE 102 HZ PHE 102 -1.828 6.518 -26.639 Start of MODEL 3 1 1H MET 1 1H MET 1 -6.161 -12.875 -44.450 2 2H MET 1 2H MET 1 -4.605 -13.424 -44.048 3 3H MET 1 3H MET 1 -5.429 -14.096 -45.372 4 HA MET 1 HA MET 1 -5.453 -11.625 -46.196 5 1HB MET 1 2HB MET 1 -4.318 -10.937 -44.017 6 2HB MET 1 1HB MET 1 -2.879 -11.764 -44.611 7 1HG MET 1 2HG MET 1 -2.512 -9.581 -45.359 8 2HG MET 1 1HG MET 1 -3.270 -10.322 -46.768 9 1HE MET 1 1HE MET 1 -6.403 -9.495 -47.265 10 2HE MET 1 2HE MET 1 -4.764 -9.754 -47.859 11 3HE MET 1 3HE MET 1 -5.443 -8.128 -47.846 12 H THR 2 H THR 2 -5.290 -12.783 -48.126 13 HA THR 2 HA THR 2 -2.593 -13.326 -49.087 14 HB THR 2 HB THR 2 -3.805 -15.770 -49.698 15 HG1 THR 2 HG1 THR 2 -3.949 -15.528 -46.923 16 1HG2 THR 2 1HG2 THR 2 -1.500 -15.737 -49.286 17 2HG2 THR 2 2HG2 THR 2 -2.128 -16.566 -47.862 18 3HG2 THR 2 3HG2 THR 2 -1.687 -14.861 -47.768 19 H VAL 3 H VAL 3 -3.890 -11.528 -50.301 20 HA VAL 3 HA VAL 3 -5.937 -12.410 -52.163 21 HB VAL 3 HB VAL 3 -5.815 -10.074 -51.389 22 1HG1 VAL 3 1HG1 VAL 3 -3.308 -9.823 -53.065 23 2HG1 VAL 3 2HG1 VAL 3 -3.258 -10.101 -51.324 24 3HG1 VAL 3 3HG1 VAL 3 -3.998 -8.632 -51.960 25 1HG2 VAL 3 1HG2 VAL 3 -6.855 -9.653 -53.344 26 2HG2 VAL 3 2HG2 VAL 3 -5.963 -10.952 -54.135 27 3HG2 VAL 3 3HG2 VAL 3 -5.281 -9.327 -54.067 28 H ILE 4 H ILE 4 -5.477 -13.693 -53.868 29 HA ILE 4 HA ILE 4 -4.180 -14.791 -55.510 30 HB ILE 4 HB ILE 4 -4.983 -12.894 -56.765 31 1HG1 ILE 4 2HG1 ILE 4 -2.067 -12.729 -57.392 32 2HG1 ILE 4 1HG1 ILE 4 -2.828 -14.318 -57.479 33 1HG2 ILE 4 1HG2 ILE 4 -4.375 -11.110 -55.211 34 2HG2 ILE 4 2HG2 ILE 4 -3.689 -10.760 -56.795 35 3HG2 ILE 4 3HG2 ILE 4 -2.660 -11.397 -55.512 36 1HD1 ILE 4 1HD1 ILE 4 -4.461 -12.240 -58.725 37 2HD1 ILE 4 2HD1 ILE 4 -3.933 -13.790 -59.378 38 3HD1 ILE 4 3HD1 ILE 4 -2.873 -12.385 -59.478 39 H LYS 5 H LYS 5 -2.645 -15.551 -53.752 40 HA LYS 5 HA LYS 5 0.088 -14.787 -54.517 41 1HB LYS 5 2HB LYS 5 -1.104 -13.599 -52.242 42 2HB LYS 5 1HB LYS 5 0.007 -14.827 -51.632 43 1HG LYS 5 2HG LYS 5 1.788 -13.892 -53.115 44 2HG LYS 5 1HG LYS 5 0.676 -12.606 -53.585 45 1HD LYS 5 2HD LYS 5 1.371 -13.160 -50.694 46 2HD LYS 5 1HD LYS 5 2.304 -12.044 -51.692 47 1HE LYS 5 2HE LYS 5 -0.576 -11.585 -51.906 48 2HE LYS 5 1HE LYS 5 0.013 -11.404 -50.254 49 1HZ LYS 5 1HZ LYS 5 1.059 -9.534 -50.781 50 2HZ LYS 5 2HZ LYS 5 0.208 -9.552 -52.251 51 3HZ LYS 5 3HZ LYS 5 1.771 -10.212 -52.162 52 HA PRO 6 HA PRO 6 -0.607 -19.216 -53.365 53 1HB PRO 6 2HB PRO 6 0.068 -20.227 -55.831 54 2HB PRO 6 1HB PRO 6 -1.583 -19.771 -55.379 55 1HG PRO 6 2HG PRO 6 0.336 -18.344 -57.161 56 2HG PRO 6 1HG PRO 6 -1.435 -18.311 -57.165 57 1HD PRO 6 2HD PRO 6 0.257 -16.309 -56.098 58 2HD PRO 6 1HD PRO 6 -1.491 -16.456 -55.818 59 H SER 7 H SER 7 1.456 -18.387 -52.183 60 HA SER 7 HA SER 7 3.680 -20.066 -52.922 61 1HB SER 7 2HB SER 7 3.707 -17.844 -54.433 62 2HB SER 7 1HB SER 7 4.505 -17.201 -53.000 63 HG SER 7 HG SER 7 5.856 -18.259 -54.672 64 H SER 8 H SER 8 2.767 -17.086 -51.182 65 HA SER 8 HA SER 8 3.262 -16.404 -48.991 66 1HB SER 8 2HB SER 8 3.249 -19.397 -48.511 67 2HB SER 8 1HB SER 8 3.013 -18.144 -47.295 68 HG SER 8 HG SER 8 0.993 -18.689 -47.879 69 H ARG 9 H ARG 9 5.401 -15.617 -49.510 70 HA ARG 9 HA ARG 9 7.754 -17.177 -49.637 71 1HB ARG 9 2HB ARG 9 7.156 -14.334 -48.900 72 2HB ARG 9 1HB ARG 9 8.775 -14.961 -48.590 73 1HG ARG 9 2HG ARG 9 8.947 -15.671 -50.955 74 2HG ARG 9 1HG ARG 9 7.340 -15.012 -51.261 75 1HD ARG 9 2HD ARG 9 8.695 -12.920 -50.011 76 2HD ARG 9 1HD ARG 9 9.901 -13.625 -51.088 77 HE ARG 9 HE ARG 9 7.753 -13.430 -52.748 78 1HH1 ARG 9 2HH1 ARG 9 6.681 -11.328 -50.854 79 2HH1 ARG 9 1HH1 ARG 9 7.317 -9.876 -51.551 80 1HH2 ARG 9 1HH2 ARG 9 9.663 -11.524 -53.503 81 2HH2 ARG 9 2HH2 ARG 9 9.006 -9.987 -53.049 82 HA PRO 10 HA PRO 10 8.362 -18.499 -45.492 83 1HB PRO 10 2HB PRO 10 11.101 -18.735 -45.507 84 2HB PRO 10 1HB PRO 10 10.016 -19.883 -46.310 85 1HG PRO 10 2HG PRO 10 11.739 -17.767 -47.519 86 2HG PRO 10 1HG PRO 10 11.166 -19.288 -48.225 87 1HD PRO 10 2HD PRO 10 10.093 -16.721 -48.738 88 2HD PRO 10 1HD PRO 10 9.330 -18.272 -49.150 89 H ARG 11 H ARG 11 9.634 -17.881 -43.455 90 HA ARG 11 HA ARG 11 10.537 -15.039 -43.517 91 1HB ARG 11 2HB ARG 11 8.184 -15.107 -42.735 92 2HB ARG 11 1HB ARG 11 8.652 -16.235 -41.462 93 1HG ARG 11 2HG ARG 11 8.668 -14.110 -40.406 94 2HG ARG 11 1HG ARG 11 10.365 -14.447 -40.750 95 1HD ARG 11 2HD ARG 11 10.517 -12.778 -42.292 96 2HD ARG 11 1HD ARG 11 8.903 -13.092 -42.931 97 HE ARG 11 HE ARG 11 9.267 -11.660 -40.332 98 1HH1 ARG 11 1HH2 ARG 11 6.814 -12.501 -42.283 99 2HH1 ARG 11 2HH2 ARG 11 6.292 -10.904 -42.701 100 1HH2 ARG 11 2HH1 ARG 11 9.110 -9.356 -41.400 101 2HH2 ARG 11 1HH1 ARG 11 7.592 -9.123 -42.204 102 HA PRO 12 HA PRO 12 13.466 -17.737 -41.204 103 1HB PRO 12 2HB PRO 12 15.687 -16.891 -42.587 104 2HB PRO 12 1HB PRO 12 14.681 -18.259 -43.095 105 1HG PRO 12 2HG PRO 12 14.827 -15.508 -44.240 106 2HG PRO 12 1HG PRO 12 14.377 -17.029 -45.028 107 1HD PRO 12 2HD PRO 12 12.579 -15.035 -44.136 108 2HD PRO 12 1HD PRO 12 12.149 -16.694 -44.603 109 H ARG 13 H ARG 13 13.410 -16.538 -39.274 110 HA ARG 13 HA ARG 13 14.106 -13.745 -39.120 111 1HB ARG 13 2HB ARG 13 12.932 -15.586 -37.414 112 2HB ARG 13 1HB ARG 13 14.486 -15.265 -36.646 113 1HG ARG 13 2HG ARG 13 14.058 -12.854 -36.719 114 2HG ARG 13 1HG ARG 13 12.531 -13.135 -37.557 115 1HD ARG 13 2HD ARG 13 11.483 -13.960 -35.666 116 2HD ARG 13 1HD ARG 13 12.991 -14.536 -34.954 117 HE ARG 13 HE ARG 13 13.050 -11.678 -35.092 118 1HH1 ARG 13 2HH1 ARG 13 13.255 -13.971 -32.842 119 2HH1 ARG 13 1HH1 ARG 13 12.211 -13.250 -31.662 120 1HH2 ARG 13 1HH2 ARG 13 10.948 -10.871 -33.847 121 2HH2 ARG 13 2HH2 ARG 13 10.906 -11.494 -32.232 122 H LYS 14 H LYS 14 16.133 -13.028 -39.520 123 HA LYS 14 HA LYS 14 18.423 -14.678 -38.525 124 1HB LYS 14 2HB LYS 14 18.231 -12.807 -40.902 125 2HB LYS 14 1HB LYS 14 19.751 -13.477 -40.308 126 1HG LYS 14 2HG LYS 14 17.934 -15.646 -40.530 127 2HG LYS 14 1HG LYS 14 17.800 -14.713 -42.021 128 1HD LYS 14 2HD LYS 14 20.568 -15.070 -41.089 129 2HD LYS 14 1HD LYS 14 19.758 -16.578 -41.515 130 1HE LYS 14 2HE LYS 14 18.994 -14.895 -43.565 131 2HE LYS 14 1HE LYS 14 20.650 -14.381 -43.250 132 1HZ LYS 14 1HZ LYS 14 19.906 -17.229 -43.549 133 2HZ LYS 14 2HZ LYS 14 21.457 -16.536 -43.616 134 3HZ LYS 14 3HZ LYS 14 20.347 -16.266 -44.874 135 H ASN 15 H ASN 15 17.803 -13.381 -36.476 136 HA ASN 15 HA ASN 15 19.440 -10.894 -36.476 137 1HB ASN 15 2HB ASN 15 16.648 -10.868 -36.367 138 2HB ASN 15 1HB ASN 15 17.148 -10.694 -34.684 139 1HD2 ASN 15 1HD2 ASN 15 17.566 -8.570 -34.082 140 2HD2 ASN 15 2HD2 ASN 15 18.053 -7.332 -35.137 141 H LYS 16 H LYS 16 20.003 -10.260 -34.177 142 HA LYS 16 HA LYS 16 20.440 -12.736 -32.577 143 1HB LYS 16 2HB LYS 16 21.998 -10.292 -33.093 144 2HB LYS 16 1HB LYS 16 21.973 -10.779 -31.398 145 1HG LYS 16 2HG LYS 16 23.550 -12.309 -31.897 146 2HG LYS 16 1HG LYS 16 22.327 -13.165 -32.838 147 1HD LYS 16 2HD LYS 16 22.996 -11.248 -34.621 148 2HD LYS 16 1HD LYS 16 24.529 -11.396 -33.761 149 1HE LYS 16 2HE LYS 16 23.264 -13.976 -34.407 150 2HE LYS 16 1HE LYS 16 23.733 -13.031 -35.821 151 1HZ LYS 16 1HZ LYS 16 25.468 -13.845 -33.556 152 2HZ LYS 16 2HZ LYS 16 25.944 -12.756 -34.769 153 3HZ LYS 16 3HZ LYS 16 25.575 -14.366 -35.167 154 H ASN 17 H ASN 17 20.590 -9.476 -31.274 155 HA ASN 17 HA ASN 17 19.445 -8.526 -29.456 156 1HB ASN 17 2HB ASN 17 17.321 -9.872 -31.091 157 2HB ASN 17 1HB ASN 17 16.886 -9.208 -29.515 158 1HD2 ASN 17 1HD2 ASN 17 17.075 -6.868 -29.216 159 2HD2 ASN 17 2HD2 ASN 17 17.225 -5.821 -30.544 160 H ILE 18 H ILE 18 20.881 -10.803 -28.774 161 HA ILE 18 HA ILE 18 19.167 -12.678 -27.330 162 HB ILE 18 HB ILE 18 21.414 -13.471 -26.411 163 1HG1 ILE 18 2HG1 ILE 18 22.887 -12.086 -28.518 164 2HG1 ILE 18 1HG1 ILE 18 22.231 -10.963 -27.326 165 1HG2 ILE 18 1HG2 ILE 18 22.168 -14.240 -28.753 166 2HG2 ILE 18 2HG2 ILE 18 20.794 -13.319 -29.362 167 3HG2 ILE 18 3HG2 ILE 18 20.530 -14.669 -28.258 168 1HD1 ILE 18 1HD1 ILE 18 23.277 -12.201 -25.511 169 2HD1 ILE 18 2HD1 ILE 18 24.505 -11.810 -26.716 170 3HD1 ILE 18 3HD1 ILE 18 23.835 -13.440 -26.635 171 H LYS 19 H LYS 19 18.054 -11.692 -25.663 172 HA LYS 19 HA LYS 19 19.718 -10.256 -23.630 173 1HB LYS 19 2HB LYS 19 17.190 -9.509 -24.940 174 2HB LYS 19 1HB LYS 19 17.138 -9.391 -23.181 175 1HG LYS 19 2HG LYS 19 18.221 -7.424 -23.358 176 2HG LYS 19 1HG LYS 19 19.634 -8.325 -23.913 177 1HD LYS 19 2HD LYS 19 18.547 -8.256 -26.244 178 2HD LYS 19 1HD LYS 19 17.481 -7.018 -25.578 179 1HE LYS 19 2HE LYS 19 19.170 -5.646 -26.330 180 2HE LYS 19 1HE LYS 19 19.825 -6.021 -24.735 181 1HZ LYS 19 1HZ LYS 19 21.591 -6.782 -25.824 182 2HZ LYS 19 2HZ LYS 19 20.794 -6.766 -27.324 183 3HZ LYS 19 3HZ LYS 19 20.635 -8.103 -26.288 184 H VAL 20 H VAL 20 20.023 -11.954 -22.187 185 HA VAL 20 HA VAL 20 17.690 -13.606 -21.414 186 HB VAL 20 HB VAL 20 19.472 -14.766 -19.975 187 1HG1 VAL 20 1HG1 VAL 20 19.012 -14.794 -22.840 188 2HG1 VAL 20 2HG1 VAL 20 19.310 -16.147 -21.749 189 3HG1 VAL 20 3HG1 VAL 20 20.666 -15.277 -22.467 190 1HG2 VAL 20 1HG2 VAL 20 21.585 -13.681 -21.711 191 2HG2 VAL 20 2HG2 VAL 20 21.615 -14.011 -19.979 192 3HG2 VAL 20 3HG2 VAL 20 20.930 -12.500 -20.577 193 H ASN 21 H ASN 21 16.440 -12.926 -19.747 194 HA ASN 21 HA ASN 21 17.609 -12.018 -17.252 195 1HB ASN 21 2HB ASN 21 17.189 -10.025 -19.188 196 2HB ASN 21 1HB ASN 21 15.825 -9.883 -18.080 197 1HD2 ASN 21 1HD2 ASN 21 17.974 -7.927 -18.236 198 2HD2 ASN 21 2HD2 ASN 21 18.786 -7.945 -16.746 199 H THR 22 H THR 22 16.268 -13.786 -16.528 200 HA THR 22 HA THR 22 13.359 -13.087 -16.456 201 HB THR 22 HB THR 22 13.158 -15.699 -16.153 202 HG1 THR 22 HG1 THR 22 14.878 -16.509 -17.715 203 1HG2 THR 22 1HG2 THR 22 12.870 -13.917 -18.290 204 2HG2 THR 22 2HG2 THR 22 12.221 -15.555 -18.194 205 3HG2 THR 22 3HG2 THR 22 13.787 -15.269 -18.955 206 H TYR 23 H TYR 23 12.394 -13.199 -14.434 207 HA TYR 23 HA TYR 23 14.231 -13.564 -12.143 208 1HB TYR 23 2HB TYR 23 12.015 -11.884 -12.677 209 2HB TYR 23 1HB TYR 23 11.509 -12.972 -11.384 210 HD1 TYR 23 HD1 TYR 23 12.974 -13.200 -9.322 211 HD2 TYR 23 HD2 TYR 23 13.569 -10.132 -12.272 212 HE1 TYR 23 HE1 TYR 23 14.325 -11.900 -7.697 213 HE2 TYR 23 HE2 TYR 23 14.919 -8.831 -10.646 214 HH TYR 23 HH TYR 23 16.272 -10.042 -7.997 215 H ARG 24 H ARG 24 14.097 -15.995 -13.017 216 HA ARG 24 HA ARG 24 13.258 -18.179 -12.719 217 1HB ARG 24 2HB ARG 24 13.662 -16.882 -10.218 218 2HB ARG 24 1HB ARG 24 12.192 -17.846 -10.076 219 1HG ARG 24 2HG ARG 24 13.299 -19.846 -10.450 220 2HG ARG 24 1HG ARG 24 14.570 -19.083 -11.406 221 1HD ARG 24 2HD ARG 24 15.731 -19.507 -9.443 222 2HD ARG 24 1HD ARG 24 15.124 -17.885 -9.107 223 HE ARG 24 HE ARG 24 13.962 -20.400 -8.003 224 1HH1 ARG 24 1HH2 ARG 24 15.387 -18.389 -6.277 225 2HH1 ARG 24 2HH2 ARG 24 14.064 -17.493 -5.607 226 1HH2 ARG 24 2HH1 ARG 24 11.766 -18.639 -7.938 227 2HH2 ARG 24 1HH1 ARG 24 12.013 -17.636 -6.548 228 H THR 25 H THR 25 11.470 -18.072 -14.191 229 HA THR 25 HA THR 25 8.830 -17.530 -12.892 230 HB THR 25 HB THR 25 9.128 -17.696 -15.866 231 HG1 THR 25 HG1 THR 25 10.822 -16.341 -15.180 232 1HG2 THR 25 1HG2 THR 25 7.258 -16.647 -13.860 233 2HG2 THR 25 2HG2 THR 25 6.960 -17.141 -15.527 234 3HG2 THR 25 3HG2 THR 25 7.574 -15.523 -15.182 235 H SER 26 H SER 26 7.425 -19.227 -12.735 236 HA SER 26 HA SER 26 7.738 -21.559 -14.527 237 1HB SER 26 2HB SER 26 7.497 -22.953 -12.262 238 2HB SER 26 1HB SER 26 9.076 -22.493 -12.892 239 HG SER 26 HG SER 26 7.630 -21.494 -10.725 240 H ALA 27 H ALA 27 5.759 -22.527 -14.920 241 HA ALA 27 HA ALA 27 3.441 -22.897 -14.792 242 1HB ALA 27 1HB ALA 27 2.759 -23.406 -12.703 243 2HB ALA 27 2HB ALA 27 2.930 -21.730 -12.184 244 3HB ALA 27 3HB ALA 27 4.317 -22.817 -12.124 245 H MET 28 H MET 28 1.908 -21.619 -15.727 246 HA MET 28 HA MET 28 2.257 -18.687 -15.544 247 1HB MET 28 2HB MET 28 1.854 -20.047 -17.725 248 2HB MET 28 1HB MET 28 0.169 -20.090 -17.204 249 1HG MET 28 2HG MET 28 -0.117 -17.811 -17.463 250 2HG MET 28 1HG MET 28 1.582 -17.456 -17.151 251 1HE MET 28 1HE MET 28 1.910 -15.984 -18.511 252 2HE MET 28 2HE MET 28 1.273 -15.794 -20.142 253 3HE MET 28 3HE MET 28 2.895 -16.439 -19.908 254 H ASP 29 H ASP 29 1.367 -18.051 -13.578 255 HA ASP 29 HA ASP 29 -1.535 -17.999 -13.410 256 1HB ASP 29 2HB ASP 29 0.067 -19.834 -11.645 257 2HB ASP 29 1HB ASP 29 -1.417 -19.096 -11.040 258 H LEU 30 H LEU 30 1.000 -17.982 -10.909 259 HA LEU 30 HA LEU 30 0.213 -15.166 -10.302 260 1HB LEU 30 2HB LEU 30 1.141 -17.466 -8.642 261 2HB LEU 30 1HB LEU 30 1.654 -15.854 -8.143 262 HG LEU 30 HG LEU 30 -1.108 -15.708 -8.847 263 1HD1 LEU 30 1HD1 LEU 30 -1.148 -17.480 -6.553 264 2HD1 LEU 30 2HD1 LEU 30 -0.455 -18.295 -7.955 265 3HD1 LEU 30 3HD1 LEU 30 -2.067 -17.586 -8.055 266 1HD2 LEU 30 1HD2 LEU 30 -0.402 -15.771 -5.986 267 2HD2 LEU 30 2HD2 LEU 30 -1.135 -14.476 -6.934 268 3HD2 LEU 30 3HD2 LEU 30 0.615 -14.699 -6.949 269 H SER 31 H SER 31 1.678 -14.665 -12.229 270 HA SER 31 HA SER 31 4.462 -14.310 -11.225 271 1HB SER 31 2HB SER 31 4.685 -14.604 -14.005 272 2HB SER 31 1HB SER 31 5.211 -15.756 -12.783 273 HG SER 31 HG SER 31 3.554 -16.975 -13.242 274 HA PRO 32 HA PRO 32 3.749 -10.194 -12.624 275 1HB PRO 32 2HB PRO 32 6.360 -9.339 -12.562 276 2HB PRO 32 1HB PRO 32 5.370 -9.563 -11.108 277 1HG PRO 32 2HG PRO 32 7.585 -11.267 -12.149 278 2HG PRO 32 1HG PRO 32 7.004 -11.072 -10.487 279 1HD PRO 32 2HD PRO 32 6.425 -13.248 -12.211 280 2HD PRO 32 1HD PRO 32 5.613 -12.885 -10.673 281 H GLY 33 H GLY 33 3.546 -9.345 -14.675 282 1HA GLY 33 2HA GLY 33 4.511 -8.683 -16.822 283 2HA GLY 33 1HA GLY 33 5.588 -10.077 -16.720 284 H SER 34 H SER 34 2.179 -10.313 -15.936 285 HA SER 34 HA SER 34 1.826 -11.979 -18.397 286 1HB SER 34 2HB SER 34 1.125 -12.411 -15.583 287 2HB SER 34 1HB SER 34 -0.234 -12.665 -16.675 288 HG SER 34 HG SER 34 0.966 -14.161 -17.790 289 H VAL 35 H VAL 35 -0.300 -11.855 -19.417 290 HA VAL 35 HA VAL 35 -1.660 -9.245 -18.871 291 HB VAL 35 HB VAL 35 -2.146 -9.075 -21.210 292 1HG1 VAL 35 1HG1 VAL 35 0.545 -10.198 -21.608 293 2HG1 VAL 35 2HG1 VAL 35 0.428 -9.097 -20.235 294 3HG1 VAL 35 3HG1 VAL 35 -0.031 -8.549 -21.847 295 1HG2 VAL 35 1HG2 VAL 35 -1.247 -11.036 -22.701 296 2HG2 VAL 35 2HG2 VAL 35 -2.800 -11.226 -21.887 297 3HG2 VAL 35 3HG2 VAL 35 -1.355 -11.980 -21.216 298 H HIS 36 H HIS 36 -3.763 -9.406 -18.232 299 HA HIS 36 HA HIS 36 -5.332 -11.787 -19.073 300 1HB HIS 36 2HB HIS 36 -4.998 -10.882 -16.197 301 2HB HIS 36 1HB HIS 36 -6.151 -12.100 -16.743 302 HD1 HIS 36 HD1 HIS 36 -5.307 -14.451 -16.848 303 HD2 HIS 36 HD2 HIS 36 -2.185 -11.687 -16.828 304 HE1 HIS 36 HE1 HIS 36 -3.162 -15.793 -16.722 305 H GLU 37 H GLU 37 -7.701 -11.463 -18.464 306 HA GLU 37 HA GLU 37 -8.392 -8.599 -18.900 307 1HB GLU 37 2HB GLU 37 -9.270 -10.881 -20.184 308 2HB GLU 37 1HB GLU 37 -10.572 -10.566 -19.035 309 1HG GLU 37 2HG GLU 37 -11.259 -8.726 -20.158 310 2HG GLU 37 1HG GLU 37 -9.609 -8.136 -20.361 311 H GLY 38 H GLY 38 -9.731 -7.516 -17.457 312 1HA GLY 38 2HA GLY 38 -10.950 -8.989 -15.208 313 2HA GLY 38 1HA GLY 38 -9.713 -7.802 -14.788 314 H ILE 39 H ILE 39 -12.067 -7.194 -13.725 315 HA ILE 39 HA ILE 39 -13.532 -5.428 -15.615 316 HB ILE 39 HB ILE 39 -14.197 -5.889 -12.700 317 1HG1 ILE 39 2HG1 ILE 39 -15.258 -7.509 -15.030 318 2HG1 ILE 39 1HG1 ILE 39 -13.929 -8.063 -14.012 319 1HG2 ILE 39 1HG2 ILE 39 -15.317 -4.051 -13.995 320 2HG2 ILE 39 2HG2 ILE 39 -16.436 -5.283 -13.415 321 3HG2 ILE 39 3HG2 ILE 39 -15.937 -5.273 -15.106 322 1HD1 ILE 39 1HD1 ILE 39 -15.289 -8.431 -12.199 323 2HD1 ILE 39 2HD1 ILE 39 -16.502 -8.640 -13.463 324 3HD1 ILE 39 3HD1 ILE 39 -16.372 -7.101 -12.610 325 H VAL 40 H VAL 40 -13.821 -3.153 -15.073 326 HA VAL 40 HA VAL 40 -11.475 -2.115 -13.571 327 HB VAL 40 HB VAL 40 -13.412 -0.632 -15.371 328 1HG1 VAL 40 1HG1 VAL 40 -11.172 0.149 -13.659 329 2HG1 VAL 40 2HG1 VAL 40 -12.382 1.159 -14.452 330 3HG1 VAL 40 3HG1 VAL 40 -10.944 0.647 -15.335 331 1HG2 VAL 40 1HG2 VAL 40 -11.898 -0.964 -17.151 332 2HG2 VAL 40 2HG2 VAL 40 -11.956 -2.543 -16.368 333 3HG2 VAL 40 3HG2 VAL 40 -10.597 -1.461 -16.069 334 H TYR 41 H TYR 41 -11.720 -0.469 -11.981 335 HA TYR 41 HA TYR 41 -14.456 0.133 -11.024 336 1HB TYR 41 2HB TYR 41 -13.126 -1.966 -9.884 337 2HB TYR 41 1HB TYR 41 -12.584 -0.631 -8.866 338 HD1 TYR 41 HD1 TYR 41 -15.286 -2.884 -9.615 339 HD2 TYR 41 HD2 TYR 41 -14.367 0.945 -7.893 340 HE1 TYR 41 HE1 TYR 41 -17.471 -2.888 -8.439 341 HE2 TYR 41 HE2 TYR 41 -16.552 0.940 -6.716 342 HH TYR 41 HH TYR 41 -18.246 -1.411 -5.998 343 H PHE 42 H PHE 42 -14.506 2.055 -9.723 344 HA PHE 42 HA PHE 42 -11.986 3.652 -9.894 345 1HB PHE 42 2HB PHE 42 -14.169 4.413 -11.067 346 2HB PHE 42 1HB PHE 42 -14.741 4.794 -9.442 347 HD1 PHE 42 HD1 PHE 42 -12.472 5.738 -12.143 348 HD2 PHE 42 HD2 PHE 42 -13.544 6.474 -8.046 349 HE1 PHE 42 HE1 PHE 42 -11.197 7.866 -12.192 350 HE2 PHE 42 HE2 PHE 42 -12.266 8.601 -8.095 351 HZ PHE 42 HZ PHE 42 -11.093 9.297 -10.167 352 H LYS 43 H LYS 43 -10.993 4.123 -7.987 353 HA LYS 43 HA LYS 43 -12.273 4.972 -5.622 354 1HB LYS 43 2HB LYS 43 -12.289 2.069 -6.012 355 2HB LYS 43 1HB LYS 43 -11.532 2.552 -4.494 356 1HG LYS 43 2HG LYS 43 -13.951 4.088 -5.032 357 2HG LYS 43 1HG LYS 43 -14.273 2.354 -4.967 358 1HD LYS 43 2HD LYS 43 -14.023 2.334 -2.731 359 2HD LYS 43 1HD LYS 43 -12.443 3.106 -2.859 360 1HE LYS 43 2HE LYS 43 -15.023 4.663 -3.108 361 2HE LYS 43 1HE LYS 43 -14.224 4.404 -1.557 362 1HZ LYS 43 1HZ LYS 43 -12.832 5.548 -3.908 363 2HZ LYS 43 2HZ LYS 43 -12.312 5.536 -2.291 364 3HZ LYS 43 3HZ LYS 43 -13.626 6.508 -2.756 365 H ASP 44 H ASP 44 -10.749 5.450 -3.977 366 HA ASP 44 HA ASP 44 -8.615 5.762 -3.043 367 1HB ASP 44 2HB ASP 44 -8.502 3.189 -4.166 368 2HB ASP 44 1HB ASP 44 -7.069 4.020 -4.775 369 H GLY 45 H GLY 45 -9.549 7.437 -5.113 370 1HA GLY 45 2HA GLY 45 -8.809 8.906 -6.803 371 2HA GLY 45 1HA GLY 45 -7.339 8.946 -5.829 372 H ILE 46 H ILE 46 -8.396 5.948 -7.260 373 HA ILE 46 HA ILE 46 -6.603 6.256 -9.583 374 HB ILE 46 HB ILE 46 -5.395 4.114 -8.945 375 1HG1 ILE 46 2HG1 ILE 46 -5.736 4.471 -6.100 376 2HG1 ILE 46 1HG1 ILE 46 -7.302 4.174 -6.855 377 1HG2 ILE 46 1HG2 ILE 46 -3.705 5.354 -8.030 378 2HG2 ILE 46 2HG2 ILE 46 -4.750 6.054 -6.793 379 3HG2 ILE 46 3HG2 ILE 46 -4.769 6.702 -8.434 380 1HD1 ILE 46 1HD1 ILE 46 -6.571 1.995 -6.512 381 2HD1 ILE 46 2HD1 ILE 46 -4.877 2.414 -6.767 382 3HD1 ILE 46 3HD1 ILE 46 -5.971 2.288 -8.144 383 H PHE 47 H PHE 47 -6.507 3.654 -10.441 384 HA PHE 47 HA PHE 47 -9.408 3.041 -10.760 385 1HB PHE 47 2HB PHE 47 -6.993 2.707 -12.484 386 2HB PHE 47 1HB PHE 47 -8.280 1.511 -12.644 387 HD1 PHE 47 HD1 PHE 47 -8.539 5.137 -11.792 388 HD2 PHE 47 HD2 PHE 47 -9.346 2.063 -14.684 389 HE1 PHE 47 HE1 PHE 47 -9.876 6.744 -13.128 390 HE2 PHE 47 HE2 PHE 47 -10.682 3.670 -16.020 391 HZ PHE 47 HZ PHE 47 -10.947 6.012 -15.242 392 H LYS 48 H LYS 48 -9.721 0.531 -11.162 393 HA LYS 48 HA LYS 48 -7.931 -1.082 -9.444 394 1HB LYS 48 2HB LYS 48 -10.197 0.059 -8.341 395 2HB LYS 48 1HB LYS 48 -10.758 -1.548 -8.809 396 1HG LYS 48 2HG LYS 48 -9.109 -2.629 -7.489 397 2HG LYS 48 1HG LYS 48 -8.167 -1.148 -7.309 398 1HD LYS 48 2HD LYS 48 -9.408 -0.449 -5.550 399 2HD LYS 48 1HD LYS 48 -10.923 -0.873 -6.348 400 1HE LYS 48 2HE LYS 48 -10.559 -2.228 -4.303 401 2HE LYS 48 1HE LYS 48 -10.600 -3.233 -5.752 402 1HZ LYS 48 1HZ LYS 48 -7.982 -2.489 -5.497 403 2HZ LYS 48 2HZ LYS 48 -8.640 -4.004 -5.097 404 3HZ LYS 48 3HZ LYS 48 -8.468 -2.807 -3.904 405 H VAL 49 H VAL 49 -8.099 -3.328 -9.882 406 HA VAL 49 HA VAL 49 -9.902 -4.036 -12.160 407 HB VAL 49 HB VAL 49 -7.202 -5.313 -11.773 408 1HG1 VAL 49 1HG1 VAL 49 -7.580 -6.194 -13.849 409 2HG1 VAL 49 2HG1 VAL 49 -8.380 -4.734 -14.433 410 3HG1 VAL 49 3HG1 VAL 49 -9.268 -5.889 -13.437 411 1HG2 VAL 49 1HG2 VAL 49 -7.807 -2.560 -12.671 412 2HG2 VAL 49 2HG2 VAL 49 -6.782 -3.486 -13.767 413 3HG2 VAL 49 3HG2 VAL 49 -6.289 -3.246 -12.091 414 H ARG 50 H ARG 50 -11.347 -5.525 -11.440 415 HA ARG 50 HA ARG 50 -10.571 -7.268 -9.157 416 1HB ARG 50 2HB ARG 50 -12.804 -5.880 -9.379 417 2HB ARG 50 1HB ARG 50 -13.316 -7.245 -10.372 418 1HG ARG 50 2HG ARG 50 -12.664 -8.780 -8.500 419 2HG ARG 50 1HG ARG 50 -12.333 -7.361 -7.506 420 1HD ARG 50 2HD ARG 50 -14.528 -7.020 -7.093 421 2HD ARG 50 1HD ARG 50 -14.952 -7.217 -8.793 422 HE ARG 50 HE ARG 50 -14.331 -9.729 -7.415 423 1HH1 ARG 50 2HH1 ARG 50 -16.756 -7.442 -7.071 424 2HH1 ARG 50 1HH1 ARG 50 -18.061 -8.503 -7.488 425 1HH2 ARG 50 1HH2 ARG 50 -15.986 -11.096 -8.487 426 2HH2 ARG 50 2HH2 ARG 50 -17.624 -10.573 -8.289 427 H LEU 51 H LEU 51 -10.188 -9.426 -9.460 428 HA LEU 51 HA LEU 51 -10.340 -10.457 -12.221 429 1HB LEU 51 2HB LEU 51 -8.622 -10.890 -10.041 430 2HB LEU 51 1HB LEU 51 -9.508 -12.403 -10.238 431 HG LEU 51 HG LEU 51 -8.991 -12.026 -12.795 432 1HD1 LEU 51 1HD1 LEU 51 -6.949 -10.316 -11.361 433 2HD1 LEU 51 2HD1 LEU 51 -7.987 -9.862 -12.714 434 3HD1 LEU 51 3HD1 LEU 51 -6.655 -10.991 -12.964 435 1HD2 LEU 51 1HD2 LEU 51 -7.814 -13.499 -10.702 436 2HD2 LEU 51 2HD2 LEU 51 -6.467 -12.815 -11.611 437 3HD2 LEU 51 3HD2 LEU 51 -7.668 -13.814 -12.431 438 H LEU 52 H LEU 52 -12.544 -10.842 -12.611 439 HA LEU 52 HA LEU 52 -14.282 -12.149 -10.714 440 1HB LEU 52 2HB LEU 52 -15.151 -10.762 -12.568 441 2HB LEU 52 1HB LEU 52 -14.530 -11.935 -13.732 442 HG LEU 52 HG LEU 52 -16.068 -13.347 -11.774 443 1HD1 LEU 52 1HD1 LEU 52 -17.121 -10.701 -12.527 444 2HD1 LEU 52 2HD1 LEU 52 -17.604 -11.770 -11.211 445 3HD1 LEU 52 3HD1 LEU 52 -18.239 -12.029 -12.835 446 1HD2 LEU 52 1HD2 LEU 52 -17.326 -12.948 -14.381 447 2HD2 LEU 52 2HD2 LEU 52 -16.685 -14.426 -13.665 448 3HD2 LEU 52 3HD2 LEU 52 -15.610 -13.327 -14.527 449 H GLY 53 H GLY 53 -14.715 -14.329 -10.454 450 1HA GLY 53 2HA GLY 53 -14.750 -16.627 -11.355 451 2HA GLY 53 1HA GLY 53 -13.303 -16.225 -12.282 452 H TYR 54 H TYR 54 -12.100 -14.773 -9.999 453 HA TYR 54 HA TYR 54 -11.378 -17.144 -8.320 454 1HB TYR 54 2HB TYR 54 -9.750 -15.127 -9.726 455 2HB TYR 54 1HB TYR 54 -9.272 -15.398 -8.051 456 HD1 TYR 54 HD1 TYR 54 -9.791 -17.024 -11.343 457 HD2 TYR 54 HD2 TYR 54 -8.297 -17.481 -7.339 458 HE1 TYR 54 HE1 TYR 54 -8.682 -19.145 -11.999 459 HE2 TYR 54 HE2 TYR 54 -7.190 -19.603 -7.996 460 HH TYR 54 HH TYR 54 -7.765 -21.417 -10.054 461 H GLU 55 H GLU 55 -13.396 -16.147 -7.156 462 HA GLU 55 HA GLU 55 -13.544 -13.732 -5.849 463 1HB GLU 55 2HB GLU 55 -14.549 -16.398 -5.363 464 2HB GLU 55 1HB GLU 55 -14.146 -15.617 -3.833 465 1HG GLU 55 2HG GLU 55 -15.734 -13.972 -4.094 466 2HG GLU 55 1HG GLU 55 -15.599 -13.974 -5.853 467 H GLY 56 H GLY 56 -11.807 -12.675 -4.989 468 1HA GLY 56 2HA GLY 56 -10.622 -12.569 -2.733 469 2HA GLY 56 1HA GLY 56 -10.060 -14.201 -3.099 470 H HIS 57 H HIS 57 -10.327 -11.650 -5.515 471 HA HIS 57 HA HIS 57 -7.375 -11.309 -5.478 472 1HB HIS 57 2HB HIS 57 -8.623 -13.009 -7.287 473 2HB HIS 57 1HB HIS 57 -8.439 -11.508 -8.195 474 HD1 HIS 57 HD1 HIS 57 -6.332 -11.668 -9.515 475 HD2 HIS 57 HD2 HIS 57 -5.866 -13.260 -5.690 476 HE1 HIS 57 HE1 HIS 57 -3.897 -12.337 -9.309 477 H GLU 58 H GLU 58 -7.666 -9.154 -4.800 478 HA GLU 58 HA GLU 58 -9.148 -7.382 -6.695 479 1HB GLU 58 2HB GLU 58 -9.001 -7.492 -3.809 480 2HB GLU 58 1HB GLU 58 -8.426 -5.926 -4.384 481 1HG GLU 58 2HG GLU 58 -10.490 -5.292 -5.069 482 2HG GLU 58 1HG GLU 58 -10.828 -6.868 -5.786 483 H CYS 59 H CYS 59 -7.877 -6.174 -8.008 484 HA CYS 59 HA CYS 59 -5.062 -5.670 -7.133 485 1HB CYS 59 2HB CYS 59 -5.928 -5.556 -10.009 486 2HB CYS 59 1HB CYS 59 -4.333 -5.899 -9.342 487 HG CYS 59 HG CYS 59 -6.626 -7.948 -9.657 488 H ILE 60 H ILE 60 -4.150 -3.622 -8.142 489 HA ILE 60 HA ILE 60 -6.274 -1.516 -8.278 490 HB ILE 60 HB ILE 60 -4.388 -0.014 -7.332 491 1HG1 ILE 60 2HG1 ILE 60 -3.370 -2.742 -6.475 492 2HG1 ILE 60 1HG1 ILE 60 -2.601 -1.729 -7.698 493 1HG2 ILE 60 1HG2 ILE 60 -5.140 -0.414 -5.126 494 2HG2 ILE 60 2HG2 ILE 60 -5.345 -2.142 -5.417 495 3HG2 ILE 60 3HG2 ILE 60 -6.470 -0.989 -6.135 496 1HD1 ILE 60 1HD1 ILE 60 -1.403 -1.100 -5.809 497 2HD1 ILE 60 2HD1 ILE 60 -2.786 -1.312 -4.735 498 3HD1 ILE 60 3HD1 ILE 60 -2.696 0.099 -5.789 499 H LEU 61 H LEU 61 -6.195 -0.277 -10.112 500 HA LEU 61 HA LEU 61 -3.907 -0.723 -11.955 501 1HB LEU 61 2HB LEU 61 -6.205 -1.050 -12.834 502 2HB LEU 61 1HB LEU 61 -6.578 0.631 -12.451 503 HG LEU 61 HG LEU 61 -4.455 1.159 -13.887 504 1HD1 LEU 61 1HD1 LEU 61 -4.781 -1.717 -14.216 505 2HD1 LEU 61 2HD1 LEU 61 -3.439 -0.682 -14.706 506 3HD1 LEU 61 3HD1 LEU 61 -4.836 -0.876 -15.765 507 1HD2 LEU 61 1HD2 LEU 61 -7.254 0.770 -14.505 508 2HD2 LEU 61 2HD2 LEU 61 -6.267 0.402 -15.920 509 3HD2 LEU 61 3HD2 LEU 61 -6.140 1.980 -15.142 510 H LEU 62 H LEU 62 -2.301 0.755 -11.861 511 HA LEU 62 HA LEU 62 -3.064 3.604 -11.344 512 1HB LEU 62 2HB LEU 62 -0.421 2.472 -10.467 513 2HB LEU 62 1HB LEU 62 -1.267 3.900 -9.871 514 HG LEU 62 HG LEU 62 -3.047 1.789 -9.417 515 1HD1 LEU 62 1HD1 LEU 62 -1.855 -0.092 -9.107 516 2HD1 LEU 62 2HD1 LEU 62 -0.887 0.729 -7.881 517 3HD1 LEU 62 3HD1 LEU 62 -0.382 0.760 -9.570 518 1HD2 LEU 62 1HD2 LEU 62 -1.395 3.687 -7.896 519 2HD2 LEU 62 2HD2 LEU 62 -1.783 2.220 -6.997 520 3HD2 LEU 62 3HD2 LEU 62 -3.079 3.220 -7.654 521 H ASP 63 H ASP 63 -2.192 1.716 -13.743 522 HA ASP 63 HA ASP 63 -0.955 2.029 -15.719 523 1HB ASP 63 2HB ASP 63 -1.878 4.628 -14.832 524 2HB ASP 63 1HB ASP 63 -0.311 4.775 -15.631 525 H TYR 64 H TYR 64 0.461 1.244 -13.376 526 HA TYR 64 HA TYR 64 2.689 1.014 -12.670 527 1HB TYR 64 2HB TYR 64 3.063 0.999 -15.196 528 2HB TYR 64 1HB TYR 64 3.431 2.718 -15.059 529 HD1 TYR 64 HD1 TYR 64 4.244 -0.308 -12.985 530 HD2 TYR 64 HD2 TYR 64 5.725 3.116 -15.122 531 HE1 TYR 64 HE1 TYR 64 6.552 -0.856 -12.263 532 HE2 TYR 64 HE2 TYR 64 8.034 2.567 -14.398 533 HH TYR 64 HH TYR 64 9.159 0.049 -13.600 534 H LEU 65 H LEU 65 0.980 3.293 -11.850 535 HA LEU 65 HA LEU 65 2.724 5.628 -11.689 536 1HB LEU 65 2HB LEU 65 -0.001 4.894 -10.805 537 2HB LEU 65 1HB LEU 65 0.836 6.040 -9.759 538 HG LEU 65 HG LEU 65 0.730 6.398 -12.757 539 1HD1 LEU 65 1HD1 LEU 65 -1.583 6.296 -11.866 540 2HD1 LEU 65 2HD1 LEU 65 -1.163 7.922 -12.404 541 3HD1 LEU 65 3HD1 LEU 65 -1.169 7.537 -10.683 542 1HD2 LEU 65 1HD2 LEU 65 2.249 7.966 -12.094 543 2HD2 LEU 65 2HD2 LEU 65 1.732 7.889 -10.408 544 3HD2 LEU 65 3HD2 LEU 65 0.825 8.863 -11.566 545 H ASN 66 H ASN 66 1.200 4.042 -8.896 546 HA ASN 66 HA ASN 66 2.092 3.526 -6.786 547 1HB ASN 66 2HB ASN 66 4.130 2.654 -8.770 548 2HB ASN 66 1HB ASN 66 4.665 2.773 -7.093 549 1HD2 ASN 66 1HD2 ASN 66 4.059 1.086 -5.694 550 2HD2 ASN 66 2HD2 ASN 66 2.954 -0.138 -6.097 551 H TYR 67 H TYR 67 2.177 6.280 -7.589 552 HA TYR 67 HA TYR 67 4.046 7.297 -5.645 553 1HB TYR 67 2HB TYR 67 5.004 6.982 -8.359 554 2HB TYR 67 1HB TYR 67 4.968 8.690 -7.916 555 HD1 TYR 67 HD1 TYR 67 5.468 8.612 -5.021 556 HD2 TYR 67 HD2 TYR 67 7.262 6.330 -8.189 557 HE1 TYR 67 HE1 TYR 67 7.508 8.303 -3.643 558 HE2 TYR 67 HE2 TYR 67 9.302 6.020 -6.811 559 HH TYR 67 HH TYR 67 9.427 6.482 -3.584 560 H ARG 68 H ARG 68 2.277 8.138 -8.633 561 HA ARG 68 HA ARG 68 1.279 10.573 -7.206 562 1HB ARG 68 2HB ARG 68 1.626 10.044 -10.173 563 2HB ARG 68 1HB ARG 68 0.844 11.477 -9.506 564 1HG ARG 68 2HG ARG 68 3.625 10.678 -8.654 565 2HG ARG 68 1HG ARG 68 3.357 11.657 -10.096 566 1HD ARG 68 2HD ARG 68 3.284 13.460 -8.746 567 2HD ARG 68 1HD ARG 68 1.753 12.842 -8.126 568 HE ARG 68 HE ARG 68 3.109 11.663 -6.358 569 1HH1 ARG 68 1HH2 ARG 68 3.252 14.511 -5.690 570 2HH1 ARG 68 2HH2 ARG 68 4.955 14.815 -5.586 571 1HH2 ARG 68 2HH1 ARG 68 5.842 11.931 -7.296 572 2HH2 ARG 68 1HH1 ARG 68 6.420 13.353 -6.494 573 H GLN 69 H GLN 69 -0.991 11.205 -7.949 574 HA GLN 69 HA GLN 69 -2.640 8.724 -8.150 575 1HB GLN 69 2HB GLN 69 -3.388 11.501 -7.179 576 2HB GLN 69 1HB GLN 69 -4.462 10.101 -7.199 577 1HG GLN 69 2HG GLN 69 -2.309 9.071 -5.879 578 2HG GLN 69 1HG GLN 69 -2.248 10.751 -5.348 579 1HE2 GLN 69 1HE2 GLN 69 -2.870 9.598 -3.187 580 2HE2 GLN 69 2HE2 GLN 69 -4.528 9.387 -2.890 581 H ASP 70 H ASP 70 -4.844 9.216 -9.303 582 HA ASP 70 HA ASP 70 -4.168 10.542 -11.884 583 1HB ASP 70 2HB ASP 70 -6.303 8.523 -11.137 584 2HB ASP 70 1HB ASP 70 -6.185 9.279 -12.727 585 H THR 71 H THR 71 -5.936 11.805 -12.926 586 HA THR 71 HA THR 71 -8.138 12.755 -11.265 587 HB THR 71 HB THR 71 -6.368 14.110 -10.289 588 HG1 THR 71 HG1 THR 71 -7.210 16.126 -10.807 589 1HG2 THR 71 1HG2 THR 71 -5.753 15.233 -13.015 590 2HG2 THR 71 2HG2 THR 71 -4.911 13.805 -12.415 591 3HG2 THR 71 3HG2 THR 71 -4.792 15.331 -11.539 592 H LEU 72 H LEU 72 -9.393 14.475 -12.488 593 HA LEU 72 HA LEU 72 -10.331 15.308 -14.476 594 1HB LEU 72 2HB LEU 72 -7.604 15.324 -14.971 595 2HB LEU 72 1HB LEU 72 -8.244 14.364 -16.305 596 HG LEU 72 HG LEU 72 -9.996 16.584 -15.901 597 1HD1 LEU 72 1HD1 LEU 72 -8.106 18.285 -16.651 598 2HD1 LEU 72 2HD1 LEU 72 -7.064 17.190 -15.744 599 3HD1 LEU 72 3HD1 LEU 72 -8.416 17.990 -14.941 600 1HD2 LEU 72 1HD2 LEU 72 -8.015 15.805 -18.059 601 2HD2 LEU 72 2HD2 LEU 72 -9.175 17.122 -18.236 602 3HD2 LEU 72 3HD2 LEU 72 -9.745 15.467 -18.025 603 H ASP 73 H ASP 73 -11.036 12.756 -13.555 604 HA ASP 73 HA ASP 73 -11.240 11.170 -16.082 605 1HB ASP 73 2HB ASP 73 -11.029 10.430 -13.201 606 2HB ASP 73 1HB ASP 73 -12.052 9.414 -14.217 607 H ARG 74 H ARG 74 -12.939 13.311 -15.922 608 HA ARG 74 HA ARG 74 -15.424 12.856 -14.599 609 1HB ARG 74 2HB ARG 74 -14.343 14.770 -16.396 610 2HB ARG 74 1HB ARG 74 -15.844 14.186 -17.114 611 1HG ARG 74 2HG ARG 74 -16.239 14.559 -14.292 612 2HG ARG 74 1HG ARG 74 -15.554 16.032 -14.979 613 1HD ARG 74 2HD ARG 74 -17.632 14.842 -16.668 614 2HD ARG 74 1HD ARG 74 -18.226 15.318 -15.078 615 HE ARG 74 HE ARG 74 -16.832 17.538 -15.824 616 1HH1 ARG 74 1HH2 ARG 74 -19.675 15.943 -16.728 617 2HH1 ARG 74 2HH2 ARG 74 -20.055 17.013 -18.036 618 1HH2 ARG 74 2HH1 ARG 74 -17.063 18.755 -17.828 619 2HH2 ARG 74 1HH1 ARG 74 -18.577 18.605 -18.657 620 H LEU 75 H LEU 75 -14.579 12.266 -18.038 621 HA LEU 75 HA LEU 75 -17.014 10.736 -18.476 622 1HB LEU 75 2HB LEU 75 -14.507 10.844 -20.181 623 2HB LEU 75 1HB LEU 75 -16.109 10.317 -20.697 624 HG LEU 75 HG LEU 75 -15.610 13.083 -19.584 625 1HD1 LEU 75 1HD1 LEU 75 -15.955 13.402 -22.296 626 2HD1 LEU 75 2HD1 LEU 75 -14.943 11.960 -22.223 627 3HD1 LEU 75 3HD1 LEU 75 -14.399 13.458 -21.468 628 1HD2 LEU 75 1HD2 LEU 75 -17.758 12.063 -21.461 629 2HD2 LEU 75 2HD2 LEU 75 -17.739 13.586 -20.571 630 3HD2 LEU 75 3HD2 LEU 75 -17.943 12.062 -19.707 631 H LYS 76 H LYS 76 -13.609 9.945 -17.865 632 HA LYS 76 HA LYS 76 -13.731 7.151 -18.334 633 1HB LYS 76 2HB LYS 76 -12.127 8.578 -16.191 634 2HB LYS 76 1HB LYS 76 -11.782 6.986 -16.870 635 1HG LYS 76 2HG LYS 76 -12.038 9.305 -18.746 636 2HG LYS 76 1HG LYS 76 -10.555 9.148 -17.802 637 1HD LYS 76 2HD LYS 76 -10.014 7.073 -18.763 638 2HD LYS 76 1HD LYS 76 -11.668 6.787 -19.303 639 1HE LYS 76 2HE LYS 76 -11.431 8.094 -21.175 640 2HE LYS 76 1HE LYS 76 -10.312 9.205 -20.384 641 1HZ LYS 76 1HZ LYS 76 -9.184 6.613 -20.568 642 2HZ LYS 76 2HZ LYS 76 -8.599 8.082 -21.187 643 3HZ LYS 76 3HZ LYS 76 -9.677 7.140 -22.101 644 H GLU 77 H GLU 77 -14.977 9.063 -15.684 645 HA GLU 77 HA GLU 77 -15.226 7.015 -13.725 646 1HB GLU 77 2HB GLU 77 -15.946 9.678 -13.892 647 2HB GLU 77 1HB GLU 77 -17.509 8.861 -13.856 648 1HG GLU 77 2HG GLU 77 -17.205 8.848 -11.603 649 2HG GLU 77 1HG GLU 77 -16.138 7.481 -11.927 650 H ARG 78 H ARG 78 -17.274 7.874 -16.485 651 HA ARG 78 HA ARG 78 -19.339 5.932 -15.808 652 1HB ARG 78 2HB ARG 78 -18.855 7.934 -17.908 653 2HB ARG 78 1HB ARG 78 -19.665 6.479 -18.489 654 1HG ARG 78 2HG ARG 78 -20.640 7.644 -15.924 655 2HG ARG 78 1HG ARG 78 -21.032 8.514 -17.408 656 1HD ARG 78 2HD ARG 78 -21.662 6.057 -18.242 657 2HD ARG 78 1HD ARG 78 -21.903 5.801 -16.514 658 HE ARG 78 HE ARG 78 -23.262 8.166 -17.051 659 1HH1 ARG 78 2HH1 ARG 78 -23.486 4.800 -17.553 660 2HH1 ARG 78 1HH1 ARG 78 -25.049 4.863 -18.299 661 1HH2 ARG 78 1HH2 ARG 78 -25.188 8.328 -18.327 662 2HH2 ARG 78 2HH2 ARG 78 -26.012 6.860 -18.740 663 H LEU 79 H LEU 79 -16.417 5.938 -17.773 664 HA LEU 79 HA LEU 79 -17.034 3.492 -19.198 665 1HB LEU 79 2HB LEU 79 -14.927 5.428 -19.168 666 2HB LEU 79 1HB LEU 79 -14.210 3.829 -18.959 667 HG LEU 79 HG LEU 79 -16.018 3.284 -20.907 668 1HD1 LEU 79 1HD1 LEU 79 -16.178 5.076 -22.472 669 2HD1 LEU 79 2HD1 LEU 79 -14.984 6.040 -21.603 670 3HD1 LEU 79 3HD1 LEU 79 -16.585 5.782 -20.909 671 1HD2 LEU 79 1HD2 LEU 79 -13.145 3.989 -20.810 672 2HD2 LEU 79 2HD2 LEU 79 -13.878 4.068 -22.412 673 3HD2 LEU 79 3HD2 LEU 79 -13.931 2.565 -21.492 674 H VAL 80 H VAL 80 -15.549 4.249 -16.112 675 HA VAL 80 HA VAL 80 -14.104 2.011 -15.434 676 HB VAL 80 HB VAL 80 -16.261 3.145 -13.635 677 1HG1 VAL 80 1HG1 VAL 80 -13.822 1.461 -13.283 678 2HG1 VAL 80 2HG1 VAL 80 -15.362 1.399 -12.426 679 3HG1 VAL 80 3HG1 VAL 80 -14.182 2.648 -12.028 680 1HG2 VAL 80 1HG2 VAL 80 -14.009 4.450 -14.859 681 2HG2 VAL 80 2HG2 VAL 80 -13.711 4.303 -13.127 682 3HG2 VAL 80 3HG2 VAL 80 -15.167 5.114 -13.706 683 H GLY 81 H GLY 81 -14.752 0.012 -14.234 684 1HA GLY 81 2HA GLY 81 -16.253 -1.803 -13.816 685 2HA GLY 81 1HA GLY 81 -17.503 -0.939 -14.712 686 H ARG 82 H ARG 82 -16.308 -0.441 -17.122 687 HA ARG 82 HA ARG 82 -16.704 -2.667 -18.684 688 1HB ARG 82 2HB ARG 82 -15.606 -0.137 -19.097 689 2HB ARG 82 1HB ARG 82 -14.338 -1.245 -19.623 690 1HG ARG 82 2HG ARG 82 -15.491 -1.395 -21.564 691 2HG ARG 82 1HG ARG 82 -16.631 -2.395 -20.664 692 1HD ARG 82 2HD ARG 82 -17.680 -0.107 -19.949 693 2HD ARG 82 1HD ARG 82 -16.820 0.526 -21.353 694 HE ARG 82 HE ARG 82 -18.092 -1.512 -22.524 695 1HH1 ARG 82 2HH1 ARG 82 -19.378 1.171 -22.670 696 2HH1 ARG 82 1HH1 ARG 82 -20.948 0.871 -22.001 697 1HH2 ARG 82 1HH2 ARG 82 -20.040 -2.141 -20.541 698 2HH2 ARG 82 2HH2 ARG 82 -21.322 -1.005 -20.795 699 H VAL 83 H VAL 83 -15.343 -4.325 -19.575 700 HA VAL 83 HA VAL 83 -13.154 -5.127 -17.728 701 HB VAL 83 HB VAL 83 -15.093 -6.692 -18.331 702 1HG1 VAL 83 1HG1 VAL 83 -14.991 -7.809 -20.481 703 2HG1 VAL 83 2HG1 VAL 83 -13.528 -6.926 -20.917 704 3HG1 VAL 83 3HG1 VAL 83 -15.063 -6.070 -20.768 705 1HG2 VAL 83 1HG2 VAL 83 -13.337 -7.821 -17.323 706 2HG2 VAL 83 2HG2 VAL 83 -12.169 -7.303 -18.539 707 3HG2 VAL 83 3HG2 VAL 83 -13.319 -8.587 -18.912 708 H ILE 84 H ILE 84 -11.037 -5.274 -18.452 709 HA ILE 84 HA ILE 84 -10.515 -5.043 -21.364 710 HB ILE 84 HB ILE 84 -9.079 -3.146 -21.153 711 1HG1 ILE 84 2HG1 ILE 84 -8.042 -3.800 -19.003 712 2HG1 ILE 84 1HG1 ILE 84 -8.562 -2.116 -18.973 713 1HG2 ILE 84 1HG2 ILE 84 -10.622 -1.448 -20.021 714 2HG2 ILE 84 2HG2 ILE 84 -11.661 -2.811 -19.615 715 3HG2 ILE 84 3HG2 ILE 84 -11.344 -2.419 -21.303 716 1HD1 ILE 84 1HD1 ILE 84 -9.632 -4.459 -17.484 717 2HD1 ILE 84 2HD1 ILE 84 -10.810 -3.273 -18.043 718 3HD1 ILE 84 3HD1 ILE 84 -9.494 -2.774 -16.982 719 H LYS 85 H LYS 85 -8.056 -5.251 -21.750 720 HA LYS 85 HA LYS 85 -7.038 -7.380 -19.930 721 1HB LYS 85 2HB LYS 85 -7.244 -7.341 -22.669 722 2HB LYS 85 1HB LYS 85 -5.570 -6.838 -22.430 723 1HG LYS 85 2HG LYS 85 -4.963 -8.935 -21.893 724 2HG LYS 85 1HG LYS 85 -6.202 -9.012 -20.639 725 1HD LYS 85 2HD LYS 85 -7.613 -10.202 -21.952 726 2HD LYS 85 1HD LYS 85 -7.292 -9.188 -23.359 727 1HE LYS 85 2HE LYS 85 -5.897 -10.734 -24.206 728 2HE LYS 85 1HE LYS 85 -4.935 -10.718 -22.728 729 1HZ LYS 85 1HZ LYS 85 -6.202 -12.861 -23.499 730 2HZ LYS 85 2HZ LYS 85 -7.505 -12.121 -22.697 731 3HZ LYS 85 3HZ LYS 85 -6.072 -12.468 -21.854 732 H THR 86 H THR 86 -5.493 -6.764 -18.500 733 HA THR 86 HA THR 86 -3.665 -4.533 -19.294 734 HB THR 86 HB THR 86 -3.678 -4.228 -16.633 735 HG1 THR 86 HG1 THR 86 -5.398 -5.015 -15.721 736 1HG2 THR 86 1HG2 THR 86 -5.326 -2.431 -16.962 737 2HG2 THR 86 2HG2 THR 86 -5.828 -3.164 -18.484 738 3HG2 THR 86 3HG2 THR 86 -4.202 -2.501 -18.319 739 H ARG 87 H ARG 87 -1.692 -4.560 -17.647 740 HA ARG 87 HA ARG 87 -0.694 -7.361 -17.679 741 1HB ARG 87 2HB ARG 87 0.591 -4.651 -17.674 742 2HB ARG 87 1HB ARG 87 1.501 -6.025 -17.047 743 1HG ARG 87 2HG ARG 87 1.792 -5.539 -19.540 744 2HG ARG 87 1HG ARG 87 1.354 -7.196 -19.124 745 1HD ARG 87 2HD ARG 87 -0.868 -6.924 -19.838 746 2HD ARG 87 1HD ARG 87 -0.785 -5.165 -19.731 747 HE ARG 87 HE ARG 87 1.096 -5.974 -21.685 748 1HH1 ARG 87 1HH2 ARG 87 -2.015 -7.184 -21.393 749 2HH1 ARG 87 2HH2 ARG 87 -2.580 -6.598 -22.923 750 1HH2 ARG 87 2HH1 ARG 87 0.257 -4.703 -23.543 751 2HH2 ARG 87 1HH1 ARG 87 -1.293 -5.194 -24.140 752 H VAL 88 H VAL 88 0.389 -8.212 -15.778 753 HA VAL 88 HA VAL 88 -0.814 -7.164 -13.275 754 HB VAL 88 HB VAL 88 0.766 -9.721 -13.540 755 1HG1 VAL 88 1HG1 VAL 88 -0.106 -8.606 -11.325 756 2HG1 VAL 88 2HG1 VAL 88 -0.325 -10.340 -11.567 757 3HG1 VAL 88 3HG1 VAL 88 -1.670 -9.234 -11.846 758 1HG2 VAL 88 1HG2 VAL 88 -1.164 -10.892 -14.277 759 2HG2 VAL 88 2HG2 VAL 88 -1.107 -9.459 -15.303 760 3HG2 VAL 88 3HG2 VAL 88 -2.223 -9.524 -13.939 761 H VAL 89 H VAL 89 0.407 -5.915 -11.988 762 HA VAL 89 HA VAL 89 3.259 -5.604 -12.462 763 HB VAL 89 HB VAL 89 1.353 -4.480 -10.405 764 1HG1 VAL 89 1HG1 VAL 89 3.167 -4.137 -9.091 765 2HG1 VAL 89 2HG1 VAL 89 3.668 -2.955 -10.301 766 3HG1 VAL 89 3HG1 VAL 89 4.280 -4.607 -10.375 767 1HG2 VAL 89 1HG2 VAL 89 2.244 -2.352 -11.673 768 2HG2 VAL 89 2HG2 VAL 89 0.997 -3.353 -12.418 769 3HG2 VAL 89 3HG2 VAL 89 2.679 -3.519 -12.921 770 H ARG 90 H ARG 90 1.239 -7.123 -9.960 771 HA ARG 90 HA ARG 90 3.163 -9.102 -9.308 772 1HB ARG 90 2HB ARG 90 3.612 -6.508 -8.068 773 2HB ARG 90 1HB ARG 90 3.333 -7.760 -6.856 774 1HG ARG 90 2HG ARG 90 5.244 -8.902 -7.396 775 2HG ARG 90 1HG ARG 90 5.125 -8.495 -9.108 776 1HD ARG 90 2HD ARG 90 6.861 -7.093 -8.623 777 2HD ARG 90 1HD ARG 90 5.571 -6.029 -8.062 778 HE ARG 90 HE ARG 90 6.545 -7.870 -6.009 779 1HH1 ARG 90 1HH2 ARG 90 7.401 -5.051 -7.762 780 2HH1 ARG 90 2HH2 ARG 90 7.988 -4.194 -6.376 781 1HH2 ARG 90 2HH1 ARG 90 7.091 -6.681 -4.131 782 2HH2 ARG 90 1HH1 ARG 90 7.814 -5.119 -4.319 783 H ALA 91 H ALA 91 1.500 -10.527 -9.009 784 HA ALA 91 HA ALA 91 -0.682 -9.800 -7.114 785 1HB ALA 91 1HB ALA 91 -1.558 -10.628 -9.180 786 2HB ALA 91 2HB ALA 91 -1.712 -11.957 -8.031 787 3HB ALA 91 3HB ALA 91 -0.405 -11.961 -9.215 788 H ASP 92 H ASP 92 -0.709 -10.723 -5.106 789 HA ASP 92 HA ASP 92 0.948 -13.171 -4.682 790 1HB ASP 92 2HB ASP 92 2.209 -11.272 -3.803 791 2HB ASP 92 1HB ASP 92 0.801 -10.731 -2.888 792 H GLY 93 H GLY 93 -1.717 -11.141 -3.522 793 1HA GLY 93 2HA GLY 93 -3.156 -13.584 -2.707 794 2HA GLY 93 1HA GLY 93 -2.812 -12.430 -1.418 795 H LEU 94 H LEU 94 -4.633 -11.284 -1.000 796 HA LEU 94 HA LEU 94 -6.667 -10.839 -3.041 797 1HB LEU 94 2HB LEU 94 -6.375 -10.398 -0.142 798 2HB LEU 94 1HB LEU 94 -7.331 -9.166 -0.967 799 HG LEU 94 HG LEU 94 -8.260 -11.500 -2.109 800 1HD1 LEU 94 1HD1 LEU 94 -7.748 -13.224 -0.751 801 2HD1 LEU 94 2HD1 LEU 94 -8.752 -12.466 0.485 802 3HD1 LEU 94 3HD1 LEU 94 -7.020 -12.140 0.435 803 1HD2 LEU 94 1HD2 LEU 94 -10.274 -10.848 -1.172 804 2HD2 LEU 94 2HD2 LEU 94 -9.345 -9.371 -0.915 805 3HD2 LEU 94 3HD2 LEU 94 -9.554 -10.522 0.404 806 H TYR 95 H TYR 95 -3.842 -9.164 -2.001 807 HA TYR 95 HA TYR 95 -4.818 -6.684 -3.353 808 1HB TYR 95 2HB TYR 95 -3.058 -7.183 -1.032 809 2HB TYR 95 1HB TYR 95 -2.470 -5.953 -2.151 810 HD1 TYR 95 HD1 TYR 95 -3.238 -3.765 -1.897 811 HD2 TYR 95 HD2 TYR 95 -5.660 -7.020 -0.479 812 HE1 TYR 95 HE1 TYR 95 -4.880 -2.145 -0.984 813 HE2 TYR 95 HE2 TYR 95 -7.302 -5.400 0.435 814 HH TYR 95 HH TYR 95 -7.605 -2.397 -0.444 815 H VAL 96 H VAL 96 -4.026 -6.378 -5.370 816 HA VAL 96 HA VAL 96 -1.301 -7.439 -5.990 817 HB VAL 96 HB VAL 96 -3.779 -7.624 -7.730 818 1HG1 VAL 96 1HG1 VAL 96 -1.860 -7.162 -9.125 819 2HG1 VAL 96 2HG1 VAL 96 -2.220 -8.883 -9.261 820 3HG1 VAL 96 3HG1 VAL 96 -0.880 -8.338 -8.252 821 1HG2 VAL 96 1HG2 VAL 96 -2.652 -10.140 -7.450 822 2HG2 VAL 96 2HG2 VAL 96 -4.050 -9.547 -6.557 823 3HG2 VAL 96 3HG2 VAL 96 -2.439 -9.436 -5.847 824 H ASP 97 H ASP 97 -0.227 -6.269 -7.734 825 HA ASP 97 HA ASP 97 -1.188 -3.456 -7.921 826 1HB ASP 97 2HB ASP 97 1.483 -4.802 -8.240 827 2HB ASP 97 1HB ASP 97 1.202 -3.240 -9.010 828 H LEU 98 H LEU 98 -1.408 -2.462 -10.035 829 HA LEU 98 HA LEU 98 -1.381 -4.402 -12.305 830 1HB LEU 98 2HB LEU 98 -3.685 -3.408 -11.059 831 2HB LEU 98 1HB LEU 98 -3.524 -2.463 -12.539 832 HG LEU 98 HG LEU 98 -4.832 -4.608 -12.810 833 1HD1 LEU 98 1HD1 LEU 98 -3.206 -5.376 -14.776 834 2HD1 LEU 98 2HD1 LEU 98 -2.384 -3.872 -14.361 835 3HD1 LEU 98 3HD1 LEU 98 -4.074 -3.843 -14.857 836 1HD2 LEU 98 1HD2 LEU 98 -2.386 -6.221 -12.957 837 2HD2 LEU 98 2HD2 LEU 98 -3.943 -6.613 -12.228 838 3HD2 LEU 98 3HD2 LEU 98 -2.754 -5.679 -11.320 839 H ARG 99 H ARG 99 -0.555 -3.622 -14.170 840 HA ARG 99 HA ARG 99 -0.094 -0.671 -14.344 841 1HB ARG 99 2HB ARG 99 1.972 -1.191 -15.617 842 2HB ARG 99 1HB ARG 99 2.030 -1.848 -13.981 843 1HG ARG 99 2HG ARG 99 1.039 -4.004 -15.073 844 2HG ARG 99 1HG ARG 99 1.625 -3.305 -16.583 845 1HD ARG 99 2HD ARG 99 3.710 -3.005 -14.683 846 2HD ARG 99 1HD ARG 99 3.126 -4.662 -14.537 847 HE ARG 99 HE ARG 99 3.389 -4.237 -17.282 848 1HH1 ARG 99 1HH2 ARG 99 5.655 -2.438 -16.589 849 2HH1 ARG 99 2HH2 ARG 99 6.991 -3.536 -16.495 850 1HH2 ARG 99 2HH1 ARG 99 4.997 -6.361 -16.251 851 2HH2 ARG 99 1HH1 ARG 99 6.619 -5.756 -16.304 852 H ARG 100 H ARG 100 -1.109 0.225 -16.050 853 HA ARG 100 HA ARG 100 -2.252 -1.535 -18.134 854 1HB ARG 100 2HB ARG 100 -3.692 0.180 -17.080 855 2HB ARG 100 1HB ARG 100 -2.597 1.441 -17.644 856 1HG ARG 100 2HG ARG 100 -3.560 1.449 -19.678 857 2HG ARG 100 1HG ARG 100 -3.335 -0.293 -19.838 858 1HD ARG 100 2HD ARG 100 -5.371 -0.249 -18.049 859 2HD ARG 100 1HD ARG 100 -5.718 1.231 -18.945 860 HE ARG 100 HE ARG 100 -5.196 -1.154 -20.594 861 1HH1 ARG 100 2HH1 ARG 100 -7.614 0.138 -18.596 862 2HH1 ARG 100 1HH1 ARG 100 -8.871 0.039 -19.784 863 1HH2 ARG 100 1HH2 ARG 100 -6.740 -0.937 -22.340 864 2HH2 ARG 100 2HH2 ARG 100 -8.376 -0.568 -21.905 865 H PHE 101 H PHE 101 -1.378 -1.675 -20.156 866 HA PHE 101 HA PHE 101 1.164 -0.619 -20.802 867 1HB PHE 101 2HB PHE 101 -0.230 -2.498 -21.959 868 2HB PHE 101 1HB PHE 101 -0.894 -1.183 -22.928 869 HD1 PHE 101 HD1 PHE 101 2.498 -2.125 -21.601 870 HD2 PHE 101 HD2 PHE 101 0.150 -0.896 -24.985 871 HE1 PHE 101 HE1 PHE 101 4.534 -2.136 -23.020 872 HE2 PHE 101 HE2 PHE 101 2.186 -0.908 -26.402 873 HZ PHE 101 HZ PHE 101 4.378 -1.528 -25.419 874 H PHE 102 HN PHE 102 1.756 1.443 -21.258 875 HA PHE 102 HA PHE 102 -0.337 3.278 -22.361 876 1HB PHE 102 2HB PHE 102 0.825 3.558 -19.922 877 2HB PHE 102 1HB PHE 102 1.967 4.462 -20.917 878 HD1 PHE 102 HD1 PHE 102 1.544 6.749 -20.928 879 HD2 PHE 102 HD2 PHE 102 -1.765 4.007 -20.892 880 HE1 PHE 102 HE1 PHE 102 -0.039 8.659 -21.015 881 HE2 PHE 102 HE2 PHE 102 -3.348 5.916 -20.978 882 HZ PHE 102 HZ PHE 102 -2.484 8.242 -21.040 Start of MODEL 4 1 1H MET 1 1H MET 1 -4.550 -40.437 -47.194 2 2H MET 1 2H MET 1 -3.405 -41.667 -47.441 3 3H MET 1 3H MET 1 -2.973 -40.040 -47.678 4 HA MET 1 HA MET 1 -2.499 -41.434 -45.429 5 1HB MET 1 2HB MET 1 -2.077 -38.875 -46.409 6 2HB MET 1 1HB MET 1 -2.992 -38.588 -44.929 7 1HG MET 1 2HG MET 1 -1.300 -39.313 -43.590 8 2HG MET 1 1HG MET 1 -0.864 -40.622 -44.688 9 1HE MET 1 1HE MET 1 1.425 -39.311 -47.220 10 2HE MET 1 2HE MET 1 0.103 -40.401 -46.808 11 3HE MET 1 3HE MET 1 1.607 -40.465 -45.893 12 H THR 2 H THR 2 -5.067 -38.932 -45.580 13 HA THR 2 HA THR 2 -6.917 -38.627 -44.148 14 HB THR 2 HB THR 2 -8.250 -40.772 -43.860 15 HG1 THR 2 HG1 THR 2 -6.872 -42.395 -43.904 16 1HG2 THR 2 1HG2 THR 2 -7.639 -39.264 -46.193 17 2HG2 THR 2 2HG2 THR 2 -9.110 -40.172 -45.846 18 3HG2 THR 2 3HG2 THR 2 -7.767 -40.954 -46.679 19 H VAL 3 H VAL 3 -4.797 -38.388 -42.575 20 HA VAL 3 HA VAL 3 -4.470 -40.379 -40.533 21 HB VAL 3 HB VAL 3 -3.393 -38.545 -39.243 22 1HG1 VAL 3 1HG1 VAL 3 -2.498 -38.178 -42.080 23 2HG1 VAL 3 2HG1 VAL 3 -2.401 -39.786 -41.362 24 3HG1 VAL 3 3HG1 VAL 3 -1.531 -38.439 -40.629 25 1HG2 VAL 3 1HG2 VAL 3 -4.705 -36.918 -41.407 26 2HG2 VAL 3 2HG2 VAL 3 -3.212 -36.344 -40.663 27 3HG2 VAL 3 3HG2 VAL 3 -4.646 -36.612 -39.671 28 H ILE 4 H ILE 4 -4.981 -39.714 -38.132 29 HA ILE 4 HA ILE 4 -7.897 -39.232 -38.021 30 HB ILE 4 HB ILE 4 -5.963 -39.991 -35.810 31 1HG1 ILE 4 2HG1 ILE 4 -6.185 -41.621 -37.761 32 2HG1 ILE 4 1HG1 ILE 4 -6.628 -42.268 -36.181 33 1HG2 ILE 4 1HG2 ILE 4 -8.005 -40.661 -34.615 34 2HG2 ILE 4 2HG2 ILE 4 -8.989 -40.139 -35.982 35 3HG2 ILE 4 3HG2 ILE 4 -8.080 -38.953 -35.046 36 1HD1 ILE 4 1HD1 ILE 4 -8.807 -40.961 -37.724 37 2HD1 ILE 4 2HD1 ILE 4 -8.853 -42.404 -36.711 38 3HD1 ILE 4 3HD1 ILE 4 -8.219 -42.501 -38.353 39 H LYS 5 H LYS 5 -8.745 -37.717 -36.347 40 HA LYS 5 HA LYS 5 -6.871 -35.612 -35.456 41 1HB LYS 5 2HB LYS 5 -8.554 -35.333 -37.783 42 2HB LYS 5 1HB LYS 5 -9.076 -34.201 -36.534 43 1HG LYS 5 2HG LYS 5 -6.544 -33.666 -36.276 44 2HG LYS 5 1HG LYS 5 -6.380 -34.429 -37.857 45 1HD LYS 5 2HD LYS 5 -8.437 -32.278 -37.376 46 2HD LYS 5 1HD LYS 5 -6.774 -31.870 -37.798 47 1HE LYS 5 2HE LYS 5 -8.349 -33.855 -39.433 48 2HE LYS 5 1HE LYS 5 -8.474 -32.122 -39.735 49 1HZ LYS 5 1HZ LYS 5 -5.922 -32.214 -39.752 50 2HZ LYS 5 2HZ LYS 5 -6.764 -32.774 -41.118 51 3HZ LYS 5 3HZ LYS 5 -6.124 -33.881 -39.999 52 HA PRO 6 HA PRO 6 -9.719 -35.199 -32.146 53 1HB PRO 6 2HB PRO 6 -9.767 -32.481 -31.723 54 2HB PRO 6 1HB PRO 6 -8.393 -33.515 -31.293 55 1HG PRO 6 2HG PRO 6 -8.665 -31.605 -33.568 56 2HG PRO 6 1HG PRO 6 -7.203 -32.156 -32.733 57 1HD PRO 6 2HD PRO 6 -8.118 -33.076 -35.247 58 2HD PRO 6 1HD PRO 6 -6.867 -33.845 -34.247 59 H SER 7 H SER 7 -11.835 -34.116 -31.438 60 HA SER 7 HA SER 7 -13.436 -33.236 -33.803 61 1HB SER 7 2HB SER 7 -15.361 -34.494 -32.605 62 2HB SER 7 1HB SER 7 -14.175 -35.452 -33.488 63 HG SER 7 HG SER 7 -14.826 -35.743 -31.010 64 H SER 8 H SER 8 -14.830 -33.727 -30.633 65 HA SER 8 HA SER 8 -15.209 -30.782 -30.437 66 1HB SER 8 2HB SER 8 -16.824 -31.639 -28.531 67 2HB SER 8 1HB SER 8 -17.313 -31.750 -30.219 68 HG SER 8 HG SER 8 -16.043 -33.795 -28.705 69 H ARG 9 H ARG 9 -12.665 -31.405 -29.812 70 HA ARG 9 HA ARG 9 -12.215 -32.173 -27.079 71 1HB ARG 9 2HB ARG 9 -10.628 -31.565 -29.317 72 2HB ARG 9 1HB ARG 9 -10.186 -30.368 -28.099 73 1HG ARG 9 2HG ARG 9 -8.793 -32.077 -27.431 74 2HG ARG 9 1HG ARG 9 -10.234 -32.533 -26.523 75 1HD ARG 9 2HD ARG 9 -10.322 -33.559 -29.246 76 2HD ARG 9 1HD ARG 9 -8.888 -34.122 -28.387 77 HE ARG 9 HE ARG 9 -11.517 -34.382 -27.028 78 1HH1 ARG 9 2HH1 ARG 9 -8.536 -35.626 -26.834 79 2HH1 ARG 9 1HH1 ARG 9 -8.957 -37.286 -27.088 80 1HH2 ARG 9 1HH2 ARG 9 -12.185 -36.583 -28.140 81 2HH2 ARG 9 2HH2 ARG 9 -11.023 -37.828 -27.829 82 HA PRO 10 HA PRO 10 -12.008 -27.476 -26.223 83 1HB PRO 10 2HB PRO 10 -12.733 -25.781 -28.263 84 2HB PRO 10 1HB PRO 10 -11.073 -26.338 -27.994 85 1HG PRO 10 2HG PRO 10 -13.016 -27.178 -30.091 86 2HG PRO 10 1HG PRO 10 -11.245 -27.205 -30.128 87 1HD PRO 10 2HD PRO 10 -12.932 -29.434 -29.683 88 2HD PRO 10 1HD PRO 10 -11.178 -29.379 -29.408 89 H ARG 11 H ARG 11 -13.732 -26.882 -24.963 90 HA ARG 11 HA ARG 11 -16.295 -26.129 -26.038 91 1HB ARG 11 2HB ARG 11 -17.586 -28.003 -24.922 92 2HB ARG 11 1HB ARG 11 -16.674 -28.488 -26.352 93 1HG ARG 11 2HG ARG 11 -14.867 -29.350 -24.962 94 2HG ARG 11 1HG ARG 11 -15.673 -28.770 -23.504 95 1HD ARG 11 2HD ARG 11 -17.284 -30.529 -25.273 96 2HD ARG 11 1HD ARG 11 -15.946 -31.300 -24.421 97 HE ARG 11 HE ARG 11 -17.657 -29.628 -22.722 98 1HH1 ARG 11 1HH2 ARG 11 -19.519 -31.661 -23.738 99 2HH1 ARG 11 2HH2 ARG 11 -19.271 -32.996 -22.662 100 1HH2 ARG 11 2HH1 ARG 11 -16.242 -31.810 -21.464 101 2HH2 ARG 11 1HH1 ARG 11 -17.416 -33.080 -21.374 102 HA PRO 12 HA PRO 12 -15.193 -24.878 -21.698 103 1HB PRO 12 2HB PRO 12 -14.791 -22.216 -22.260 104 2HB PRO 12 1HB PRO 12 -13.502 -23.431 -22.305 105 1HG PRO 12 2HG PRO 12 -14.907 -22.100 -24.574 106 2HG PRO 12 1HG PRO 12 -13.279 -22.796 -24.516 107 1HD PRO 12 2HD PRO 12 -15.563 -24.011 -25.669 108 2HD PRO 12 1HD PRO 12 -14.018 -24.814 -25.313 109 H ARG 13 H ARG 13 -17.418 -25.185 -21.135 110 HA ARG 13 HA ARG 13 -19.649 -24.560 -20.746 111 1HB ARG 13 2HB ARG 13 -18.128 -22.643 -19.711 112 2HB ARG 13 1HB ARG 13 -18.856 -21.683 -21.000 113 1HG ARG 13 2HG ARG 13 -21.047 -22.993 -20.009 114 2HG ARG 13 1HG ARG 13 -20.083 -22.773 -18.548 115 1HD ARG 13 2HD ARG 13 -20.679 -20.532 -20.495 116 2HD ARG 13 1HD ARG 13 -21.658 -20.861 -19.064 117 HE ARG 13 HE ARG 13 -19.121 -19.509 -19.068 118 1HH1 ARG 13 2HH1 ARG 13 -21.433 -19.674 -16.971 119 2HH1 ARG 13 1HH1 ARG 13 -20.550 -20.278 -15.608 120 1HH2 ARG 13 1HH2 ARG 13 -17.786 -21.218 -17.482 121 2HH2 ARG 13 2HH2 ARG 13 -18.487 -21.155 -15.898 122 H LYS 14 H LYS 14 -20.545 -25.258 -22.740 123 HA LYS 14 HA LYS 14 -21.863 -23.308 -24.312 124 1HB LYS 14 2HB LYS 14 -19.111 -23.698 -25.050 125 2HB LYS 14 1HB LYS 14 -20.146 -24.295 -26.348 126 1HG LYS 14 2HG LYS 14 -21.356 -21.907 -25.531 127 2HG LYS 14 1HG LYS 14 -19.628 -21.552 -25.528 128 1HD LYS 14 2HD LYS 14 -19.513 -21.615 -27.782 129 2HD LYS 14 1HD LYS 14 -20.429 -23.121 -27.859 130 1HE LYS 14 2HE LYS 14 -22.452 -21.529 -27.212 131 2HE LYS 14 1HE LYS 14 -21.417 -20.296 -27.930 132 1HZ LYS 14 1HZ LYS 14 -22.360 -20.998 -29.825 133 2HZ LYS 14 2HZ LYS 14 -22.811 -22.505 -29.182 134 3HZ LYS 14 3HZ LYS 14 -21.224 -22.254 -29.732 135 H ASN 15 H ASN 15 -20.239 -26.477 -24.582 136 HA ASN 15 HA ASN 15 -22.477 -27.526 -26.187 137 1HB ASN 15 2HB ASN 15 -19.969 -28.146 -26.443 138 2HB ASN 15 1HB ASN 15 -20.228 -29.170 -25.031 139 1HD2 ASN 15 1HD2 ASN 15 -22.346 -28.464 -27.868 140 2HD2 ASN 15 2HD2 ASN 15 -22.556 -30.093 -28.300 141 H LYS 16 H LYS 16 -23.646 -26.756 -23.929 142 HA LYS 16 HA LYS 16 -25.034 -27.565 -22.214 143 1HB LYS 16 2HB LYS 16 -25.081 -29.555 -23.975 144 2HB LYS 16 1HB LYS 16 -24.149 -30.379 -22.725 145 1HG LYS 16 2HG LYS 16 -26.034 -30.755 -21.563 146 2HG LYS 16 1HG LYS 16 -26.307 -29.017 -21.447 147 1HD LYS 16 2HD LYS 16 -28.240 -29.812 -22.547 148 2HD LYS 16 1HD LYS 16 -27.229 -29.205 -23.859 149 1HE LYS 16 2HE LYS 16 -27.000 -31.262 -24.763 150 2HE LYS 16 1HE LYS 16 -26.628 -31.987 -23.199 151 1HZ LYS 16 1HZ LYS 16 -29.292 -31.319 -23.086 152 2HZ LYS 16 2HZ LYS 16 -28.642 -32.879 -23.265 153 3HZ LYS 16 3HZ LYS 16 -29.080 -31.976 -24.636 154 H ASN 17 H ASN 17 -22.933 -26.527 -21.132 155 HA ASN 17 HA ASN 17 -22.283 -28.251 -18.883 156 1HB ASN 17 2HB ASN 17 -20.602 -28.509 -21.082 157 2HB ASN 17 1HB ASN 17 -19.753 -27.359 -20.048 158 1HD2 ASN 17 1HD2 ASN 17 -20.007 -28.137 -17.528 159 2HD2 ASN 17 2HD2 ASN 17 -19.602 -29.766 -17.282 160 H ILE 18 H ILE 18 -23.322 -26.328 -17.933 161 HA ILE 18 HA ILE 18 -21.618 -23.884 -17.962 162 HB ILE 18 HB ILE 18 -24.374 -24.176 -16.746 163 1HG1 ILE 18 2HG1 ILE 18 -24.194 -22.799 -19.325 164 2HG1 ILE 18 1HG1 ILE 18 -23.777 -24.509 -19.441 165 1HG2 ILE 18 1HG2 ILE 18 -23.419 -21.642 -17.934 166 2HG2 ILE 18 2HG2 ILE 18 -22.529 -22.176 -16.508 167 3HG2 ILE 18 3HG2 ILE 18 -24.272 -21.923 -16.418 168 1HD1 ILE 18 1HD1 ILE 18 -26.250 -23.537 -17.999 169 2HD1 ILE 18 2HD1 ILE 18 -25.872 -25.182 -18.510 170 3HD1 ILE 18 3HD1 ILE 18 -26.254 -23.950 -19.713 171 H LYS 19 H LYS 19 -23.088 -26.272 -15.789 172 HA LYS 19 HA LYS 19 -21.910 -25.022 -13.414 173 1HB LYS 19 2HB LYS 19 -23.083 -27.805 -13.619 174 2HB LYS 19 1HB LYS 19 -22.942 -26.794 -12.180 175 1HG LYS 19 2HG LYS 19 -24.368 -25.210 -13.982 176 2HG LYS 19 1HG LYS 19 -25.033 -26.827 -14.211 177 1HD LYS 19 2HD LYS 19 -24.583 -26.016 -11.395 178 2HD LYS 19 1HD LYS 19 -25.859 -25.145 -12.247 179 1HE LYS 19 2HE LYS 19 -26.889 -27.072 -11.247 180 2HE LYS 19 1HE LYS 19 -26.766 -27.400 -12.976 181 1HZ LYS 19 1HZ LYS 19 -24.985 -28.398 -10.825 182 2HZ LYS 19 2HZ LYS 19 -24.639 -28.558 -12.482 183 3HZ LYS 19 3HZ LYS 19 -26.010 -29.312 -11.820 184 H VAL 20 H VAL 20 -19.683 -25.110 -13.416 185 HA VAL 20 HA VAL 20 -18.427 -27.765 -13.976 186 HB VAL 20 HB VAL 20 -16.305 -26.244 -14.144 187 1HG1 VAL 20 1HG1 VAL 20 -16.923 -27.267 -16.139 188 2HG1 VAL 20 2HG1 VAL 20 -17.165 -25.569 -16.553 189 3HG1 VAL 20 3HG1 VAL 20 -18.545 -26.576 -16.111 190 1HG2 VAL 20 1HG2 VAL 20 -18.454 -24.210 -14.793 191 2HG2 VAL 20 2HG2 VAL 20 -16.712 -23.951 -14.718 192 3HG2 VAL 20 3HG2 VAL 20 -17.621 -24.253 -13.239 193 H ASN 21 H ASN 21 -19.227 -28.102 -11.622 194 HA ASN 21 HA ASN 21 -18.211 -26.773 -9.385 195 1HB ASN 21 2HB ASN 21 -18.620 -29.751 -9.790 196 2HB ASN 21 1HB ASN 21 -18.340 -28.993 -8.221 197 1HD2 ASN 21 1HD2 ASN 21 -19.906 -26.754 -8.224 198 2HD2 ASN 21 2HD2 ASN 21 -21.537 -27.141 -8.494 199 H THR 22 H THR 22 -16.646 -29.443 -11.181 200 HA THR 22 HA THR 22 -14.185 -29.144 -9.616 201 HB THR 22 HB THR 22 -14.077 -30.654 -12.155 202 HG1 THR 22 HG1 THR 22 -15.682 -31.600 -10.030 203 1HG2 THR 22 1HG2 THR 22 -13.647 -31.675 -9.357 204 2HG2 THR 22 2HG2 THR 22 -12.459 -30.619 -10.121 205 3HG2 THR 22 3HG2 THR 22 -12.853 -32.177 -10.850 206 H TYR 23 H TYR 23 -13.909 -26.812 -10.189 207 HA TYR 23 HA TYR 23 -13.208 -26.199 -12.976 208 1HB TYR 23 2HB TYR 23 -14.348 -24.527 -11.521 209 2HB TYR 23 1HB TYR 23 -12.923 -24.495 -10.481 210 HD1 TYR 23 HD1 TYR 23 -10.674 -23.849 -11.520 211 HD2 TYR 23 HD2 TYR 23 -14.441 -23.215 -13.492 212 HE1 TYR 23 HE1 TYR 23 -9.608 -22.189 -13.026 213 HE2 TYR 23 HE2 TYR 23 -13.374 -21.556 -14.996 214 HH TYR 23 HH TYR 23 -11.287 -20.871 -15.790 215 H ARG 24 H ARG 24 -11.216 -26.648 -13.760 216 HA ARG 24 HA ARG 24 -9.016 -27.310 -11.941 217 1HB ARG 24 2HB ARG 24 -9.390 -28.553 -14.065 218 2HB ARG 24 1HB ARG 24 -9.040 -27.077 -14.966 219 1HG ARG 24 2HG ARG 24 -6.934 -28.022 -14.964 220 2HG ARG 24 1HG ARG 24 -6.842 -27.114 -13.455 221 1HD ARG 24 2HD ARG 24 -8.018 -29.829 -13.250 222 2HD ARG 24 1HD ARG 24 -6.297 -29.768 -13.630 223 HE ARG 24 HE ARG 24 -7.020 -28.022 -11.413 224 1HH1 ARG 24 2HH1 ARG 24 -7.317 -31.333 -11.821 225 2HH1 ARG 24 1HH1 ARG 24 -6.237 -31.769 -10.540 226 1HH2 ARG 24 1HH2 ARG 24 -5.140 -28.525 -10.002 227 2HH2 ARG 24 2HH2 ARG 24 -5.005 -30.181 -9.510 228 H THR 25 H THR 25 -7.579 -25.828 -11.191 229 HA THR 25 HA THR 25 -7.381 -23.223 -12.645 230 HB THR 25 HB THR 25 -8.198 -22.982 -10.349 231 HG1 THR 25 HG1 THR 25 -6.894 -21.362 -9.980 232 1HG2 THR 25 1HG2 THR 25 -6.240 -23.606 -8.608 233 2HG2 THR 25 2HG2 THR 25 -5.943 -24.847 -9.824 234 3HG2 THR 25 3HG2 THR 25 -7.519 -24.739 -9.042 235 H SER 26 H SER 26 -5.880 -25.108 -13.825 236 HA SER 26 HA SER 26 -3.349 -25.762 -12.811 237 1HB SER 26 2HB SER 26 -4.601 -25.643 -15.411 238 2HB SER 26 1HB SER 26 -2.943 -25.061 -15.521 239 HG SER 26 HG SER 26 -3.127 -27.247 -13.926 240 H ALA 27 H ALA 27 -1.267 -24.663 -13.997 241 HA ALA 27 HA ALA 27 0.188 -22.825 -13.836 242 1HB ALA 27 1HB ALA 27 -0.563 -20.827 -14.919 243 2HB ALA 27 2HB ALA 27 -2.251 -21.186 -14.556 244 3HB ALA 27 3HB ALA 27 -1.377 -22.159 -15.739 245 H MET 28 H MET 28 -0.425 -23.510 -11.368 246 HA MET 28 HA MET 28 -1.928 -21.666 -9.789 247 1HB MET 28 2HB MET 28 0.247 -23.657 -9.221 248 2HB MET 28 1HB MET 28 -0.242 -22.531 -7.954 249 1HG MET 28 2HG MET 28 -1.647 -24.408 -7.628 250 2HG MET 28 1HG MET 28 -2.658 -23.257 -8.502 251 1HE MET 28 1HE MET 28 -3.917 -25.283 -8.460 252 2HE MET 28 2HE MET 28 -3.194 -26.856 -8.783 253 3HE MET 28 3HE MET 28 -4.189 -26.083 -10.014 254 H ASP 29 H ASP 29 -1.085 -19.995 -8.340 255 HA ASP 29 HA ASP 29 0.192 -18.076 -7.903 256 1HB ASP 29 2HB ASP 29 1.955 -19.825 -7.489 257 2HB ASP 29 1HB ASP 29 2.456 -19.645 -9.169 258 H LEU 30 H LEU 30 1.217 -16.242 -9.026 259 HA LEU 30 HA LEU 30 0.681 -16.330 -11.967 260 1HB LEU 30 2HB LEU 30 -0.124 -14.480 -9.891 261 2HB LEU 30 1HB LEU 30 0.819 -13.644 -11.124 262 HG LEU 30 HG LEU 30 -1.580 -13.659 -11.706 263 1HD1 LEU 30 1HD1 LEU 30 0.260 -13.829 -13.454 264 2HD1 LEU 30 2HD1 LEU 30 -1.323 -14.406 -13.973 265 3HD1 LEU 30 3HD1 LEU 30 -0.071 -15.560 -13.515 266 1HD2 LEU 30 1HD2 LEU 30 -1.843 -16.424 -12.443 267 2HD2 LEU 30 2HD2 LEU 30 -2.835 -15.491 -11.322 268 3HD2 LEU 30 3HD2 LEU 30 -1.398 -16.332 -10.739 269 H SER 31 H SER 31 2.038 -14.446 -13.072 270 HA SER 31 HA SER 31 4.750 -14.275 -11.871 271 1HB SER 31 2HB SER 31 4.605 -14.914 -14.781 272 2HB SER 31 1HB SER 31 5.842 -15.335 -13.600 273 HG SER 31 HG SER 31 4.764 -17.086 -13.100 274 HA PRO 32 HA PRO 32 4.725 -10.249 -13.611 275 1HB PRO 32 2HB PRO 32 7.386 -9.915 -14.219 276 2HB PRO 32 1HB PRO 32 6.747 -9.884 -12.566 277 1HG PRO 32 2HG PRO 32 8.298 -12.031 -13.939 278 2HG PRO 32 1HG PRO 32 8.188 -11.656 -12.211 279 1HD PRO 32 2HD PRO 32 6.826 -13.750 -13.537 280 2HD PRO 32 1HD PRO 32 6.474 -13.148 -11.904 281 H GLY 33 H GLY 33 4.657 -9.147 -15.630 282 1HA GLY 33 2HA GLY 33 4.773 -8.885 -17.971 283 2HA GLY 33 1HA GLY 33 5.888 -10.251 -18.022 284 H SER 34 H SER 34 2.432 -9.676 -17.253 285 HA SER 34 HA SER 34 1.707 -11.806 -19.172 286 1HB SER 34 2HB SER 34 1.982 -13.111 -17.161 287 2HB SER 34 1HB SER 34 1.093 -11.927 -16.206 288 HG SER 34 HG SER 34 -0.536 -13.182 -16.687 289 H VAL 35 H VAL 35 -0.299 -11.420 -20.084 290 HA VAL 35 HA VAL 35 -1.720 -8.984 -19.121 291 HB VAL 35 HB VAL 35 -2.716 -8.890 -21.344 292 1HG1 VAL 35 1HG1 VAL 35 -0.741 -8.441 -22.629 293 2HG1 VAL 35 2HG1 VAL 35 0.210 -9.587 -21.686 294 3HG1 VAL 35 3HG1 VAL 35 -0.334 -8.079 -20.951 295 1HG2 VAL 35 1HG2 VAL 35 -2.968 -11.346 -21.637 296 2HG2 VAL 35 2HG2 VAL 35 -1.224 -11.482 -21.865 297 3HG2 VAL 35 3HG2 VAL 35 -2.199 -10.594 -23.035 298 H HIS 36 H HIS 36 -4.072 -9.059 -18.978 299 HA HIS 36 HA HIS 36 -5.474 -11.597 -19.199 300 1HB HIS 36 2HB HIS 36 -4.209 -10.892 -16.679 301 2HB HIS 36 1HB HIS 36 -5.959 -11.020 -16.497 302 HD1 HIS 36 HD1 HIS 36 -6.700 -13.273 -18.324 303 HD2 HIS 36 HD2 HIS 36 -3.247 -13.390 -15.992 304 HE1 HIS 36 HE1 HIS 36 -6.080 -15.716 -18.085 305 H GLU 37 H GLU 37 -7.789 -11.330 -18.549 306 HA GLU 37 HA GLU 37 -8.622 -8.508 -18.976 307 1HB GLU 37 2HB GLU 37 -9.571 -10.175 -20.512 308 2HB GLU 37 1HB GLU 37 -10.202 -11.094 -19.145 309 1HG GLU 37 2HG GLU 37 -12.072 -9.847 -19.267 310 2HG GLU 37 1HG GLU 37 -11.108 -8.464 -18.745 311 H GLY 38 H GLY 38 -9.782 -7.399 -17.421 312 1HA GLY 38 2HA GLY 38 -10.890 -8.860 -15.108 313 2HA GLY 38 1HA GLY 38 -9.592 -7.717 -14.757 314 H ILE 39 H ILE 39 -11.857 -7.079 -13.540 315 HA ILE 39 HA ILE 39 -13.379 -5.217 -15.287 316 HB ILE 39 HB ILE 39 -13.978 -5.577 -12.373 317 1HG1 ILE 39 2HG1 ILE 39 -14.691 -7.590 -14.533 318 2HG1 ILE 39 1HG1 ILE 39 -13.536 -7.868 -13.228 319 1HG2 ILE 39 1HG2 ILE 39 -16.331 -5.582 -13.450 320 2HG2 ILE 39 2HG2 ILE 39 -15.507 -5.082 -14.927 321 3HG2 ILE 39 3HG2 ILE 39 -15.422 -4.071 -13.484 322 1HD1 ILE 39 1HD1 ILE 39 -15.926 -6.890 -12.036 323 2HD1 ILE 39 2HD1 ILE 39 -15.227 -8.502 -11.890 324 3HD1 ILE 39 3HD1 ILE 39 -16.391 -8.158 -13.170 325 H VAL 40 H VAL 40 -13.605 -2.962 -14.627 326 HA VAL 40 HA VAL 40 -11.205 -2.033 -13.118 327 HB VAL 40 HB VAL 40 -13.010 -0.416 -14.932 328 1HG1 VAL 40 1HG1 VAL 40 -10.508 0.066 -13.394 329 2HG1 VAL 40 2HG1 VAL 40 -11.804 1.188 -13.815 330 3HG1 VAL 40 3HG1 VAL 40 -10.584 0.759 -15.014 331 1HG2 VAL 40 1HG2 VAL 40 -10.353 -1.719 -15.592 332 2HG2 VAL 40 2HG2 VAL 40 -11.372 -0.785 -16.688 333 3HG2 VAL 40 3HG2 VAL 40 -11.918 -2.355 -16.098 334 H TYR 41 H TYR 41 -11.495 -0.155 -11.680 335 HA TYR 41 HA TYR 41 -14.260 0.332 -10.733 336 1HB TYR 41 2HB TYR 41 -12.607 -1.517 -9.432 337 2HB TYR 41 1HB TYR 41 -12.462 -0.045 -8.471 338 HD1 TYR 41 HD1 TYR 41 -15.007 -2.262 -10.094 339 HD2 TYR 41 HD2 TYR 41 -14.160 0.556 -6.963 340 HE1 TYR 41 HE1 TYR 41 -17.249 -2.675 -9.116 341 HE2 TYR 41 HE2 TYR 41 -16.402 0.144 -5.984 342 HH TYR 41 HH TYR 41 -18.626 -0.671 -6.765 343 H PHE 42 H PHE 42 -14.174 2.128 -8.982 344 HA PHE 42 HA PHE 42 -11.840 3.931 -9.450 345 1HB PHE 42 2HB PHE 42 -14.214 4.370 -10.692 346 2HB PHE 42 1HB PHE 42 -14.498 5.223 -9.175 347 HD1 PHE 42 HD1 PHE 42 -11.427 5.790 -8.763 348 HD2 PHE 42 HD2 PHE 42 -14.169 6.452 -12.007 349 HE1 PHE 42 HE1 PHE 42 -10.027 7.676 -9.561 350 HE2 PHE 42 HE2 PHE 42 -12.768 8.338 -12.805 351 HZ PHE 42 HZ PHE 42 -10.697 8.950 -11.582 352 H LYS 43 H LYS 43 -10.947 4.076 -7.441 353 HA LYS 43 HA LYS 43 -12.337 5.338 -5.278 354 1HB LYS 43 2HB LYS 43 -12.538 2.415 -5.450 355 2HB LYS 43 1HB LYS 43 -11.871 2.972 -3.916 356 1HG LYS 43 2HG LYS 43 -14.089 4.654 -4.681 357 2HG LYS 43 1HG LYS 43 -14.588 2.962 -4.691 358 1HD LYS 43 2HD LYS 43 -12.972 4.028 -2.390 359 2HD LYS 43 1HD LYS 43 -14.712 4.313 -2.449 360 1HE LYS 43 2HE LYS 43 -15.163 1.937 -2.550 361 2HE LYS 43 1HE LYS 43 -13.446 1.573 -2.714 362 1HZ LYS 43 1HZ LYS 43 -14.974 2.204 -0.356 363 2HZ LYS 43 2HZ LYS 43 -13.515 3.065 -0.474 364 3HZ LYS 43 3HZ LYS 43 -13.508 1.366 -0.506 365 H ASP 44 H ASP 44 -10.936 5.387 -3.288 366 HA ASP 44 HA ASP 44 -8.839 5.515 -2.231 367 1HB ASP 44 2HB ASP 44 -7.733 3.831 -4.486 368 2HB ASP 44 1HB ASP 44 -7.116 3.987 -2.841 369 H GLY 45 H GLY 45 -9.682 6.820 -5.100 370 1HA GLY 45 2HA GLY 45 -8.836 8.896 -5.946 371 2HA GLY 45 1HA GLY 45 -7.328 8.606 -5.077 372 H ILE 46 H ILE 46 -7.491 5.739 -6.269 373 HA ILE 46 HA ILE 46 -6.361 6.503 -8.933 374 HB ILE 46 HB ILE 46 -4.907 4.533 -8.738 375 1HG1 ILE 46 2HG1 ILE 46 -5.723 4.117 -5.893 376 2HG1 ILE 46 1HG1 ILE 46 -6.775 3.459 -7.147 377 1HG2 ILE 46 1HG2 ILE 46 -3.744 5.274 -6.501 378 2HG2 ILE 46 2HG2 ILE 46 -4.952 6.559 -6.518 379 3HG2 ILE 46 3HG2 ILE 46 -3.814 6.400 -7.857 380 1HD1 ILE 46 1HD1 ILE 46 -3.797 2.934 -6.909 381 2HD1 ILE 46 2HD1 ILE 46 -4.869 2.259 -8.137 382 3HD1 ILE 46 3HD1 ILE 46 -5.071 1.807 -6.443 383 H PHE 47 H PHE 47 -6.216 3.616 -9.675 384 HA PHE 47 HA PHE 47 -9.141 3.220 -10.160 385 1HB PHE 47 2HB PHE 47 -6.712 2.560 -11.837 386 2HB PHE 47 1HB PHE 47 -8.295 1.851 -12.158 387 HD1 PHE 47 HD1 PHE 47 -6.182 4.477 -13.042 388 HD2 PHE 47 HD2 PHE 47 -10.291 3.702 -12.052 389 HE1 PHE 47 HE1 PHE 47 -6.860 6.540 -14.242 390 HE2 PHE 47 HE2 PHE 47 -10.970 5.765 -13.253 391 HZ PHE 47 HZ PHE 47 -9.254 7.184 -14.348 392 H LYS 48 H LYS 48 -9.827 0.913 -10.266 393 HA LYS 48 HA LYS 48 -8.049 -0.850 -8.631 394 1HB LYS 48 2HB LYS 48 -10.665 0.160 -7.988 395 2HB LYS 48 1HB LYS 48 -10.749 -1.592 -8.175 396 1HG LYS 48 2HG LYS 48 -9.425 -1.984 -6.355 397 2HG LYS 48 1HG LYS 48 -8.406 -0.580 -6.667 398 1HD LYS 48 2HD LYS 48 -10.102 0.915 -5.773 399 2HD LYS 48 1HD LYS 48 -11.232 -0.426 -5.583 400 1HE LYS 48 2HE LYS 48 -8.575 -0.133 -4.151 401 2HE LYS 48 1HE LYS 48 -10.167 0.106 -3.431 402 1HZ LYS 48 1HZ LYS 48 -10.685 -2.218 -4.053 403 2HZ LYS 48 2HZ LYS 48 -9.427 -2.085 -2.919 404 3HZ LYS 48 3HZ LYS 48 -9.074 -2.416 -4.547 405 H VAL 49 H VAL 49 -8.215 -3.105 -9.100 406 HA VAL 49 HA VAL 49 -9.725 -3.767 -11.594 407 HB VAL 49 HB VAL 49 -6.921 -4.679 -10.862 408 1HG1 VAL 49 1HG1 VAL 49 -8.867 -5.420 -13.032 409 2HG1 VAL 49 2HG1 VAL 49 -7.830 -6.468 -12.065 410 3HG1 VAL 49 3HG1 VAL 49 -7.134 -5.484 -13.353 411 1HG2 VAL 49 1HG2 VAL 49 -7.598 -3.136 -13.337 412 2HG2 VAL 49 2HG2 VAL 49 -6.100 -3.160 -12.409 413 3HG2 VAL 49 3HG2 VAL 49 -7.491 -2.252 -11.815 414 H ARG 50 H ARG 50 -11.224 -5.271 -11.012 415 HA ARG 50 HA ARG 50 -10.595 -7.104 -8.751 416 1HB ARG 50 2HB ARG 50 -12.974 -5.765 -9.666 417 2HB ARG 50 1HB ARG 50 -13.246 -7.508 -9.680 418 1HG ARG 50 2HG ARG 50 -12.685 -7.715 -7.370 419 2HG ARG 50 1HG ARG 50 -12.013 -6.085 -7.315 420 1HD ARG 50 2HD ARG 50 -14.137 -5.819 -6.334 421 2HD ARG 50 1HD ARG 50 -14.398 -5.316 -8.004 422 HE ARG 50 HE ARG 50 -15.098 -7.878 -8.239 423 1HH1 ARG 50 1HH2 ARG 50 -15.074 -7.273 -5.053 424 2HH1 ARG 50 2HH2 ARG 50 -16.785 -7.334 -4.792 425 1HH2 ARG 50 2HH1 ARG 50 -17.570 -7.270 -8.169 426 2HH2 ARG 50 1HH1 ARG 50 -18.199 -7.331 -6.556 427 H LEU 51 H LEU 51 -10.094 -9.210 -9.177 428 HA LEU 51 HA LEU 51 -10.372 -10.153 -11.978 429 1HB LEU 51 2HB LEU 51 -8.568 -10.716 -9.739 430 2HB LEU 51 1HB LEU 51 -9.139 -12.178 -10.544 431 HG LEU 51 HG LEU 51 -8.408 -11.326 -12.708 432 1HD1 LEU 51 1HD1 LEU 51 -8.506 -8.820 -11.318 433 2HD1 LEU 51 2HD1 LEU 51 -8.251 -9.106 -13.040 434 3HD1 LEU 51 3HD1 LEU 51 -6.872 -9.049 -11.943 435 1HD2 LEU 51 1HD2 LEU 51 -5.887 -10.854 -11.978 436 2HD2 LEU 51 2HD2 LEU 51 -6.600 -12.457 -11.798 437 3HD2 LEU 51 3HD2 LEU 51 -6.493 -11.378 -10.406 438 H LEU 52 H LEU 52 -12.774 -10.317 -11.652 439 HA LEU 52 HA LEU 52 -13.986 -12.063 -9.775 440 1HB LEU 52 2HB LEU 52 -14.931 -10.442 -11.739 441 2HB LEU 52 1HB LEU 52 -15.159 -12.018 -12.499 442 HG LEU 52 HG LEU 52 -16.042 -12.477 -9.928 443 1HD1 LEU 52 1HD1 LEU 52 -16.230 -9.604 -10.527 444 2HD1 LEU 52 2HD1 LEU 52 -16.399 -10.444 -8.986 445 3HD1 LEU 52 3HD1 LEU 52 -17.774 -10.331 -10.083 446 1HD2 LEU 52 1HD2 LEU 52 -17.154 -13.232 -11.967 447 2HD2 LEU 52 2HD2 LEU 52 -17.594 -11.573 -12.376 448 3HD2 LEU 52 3HD2 LEU 52 -18.316 -12.357 -10.970 449 H GLY 53 H GLY 53 -14.923 -14.243 -10.257 450 1HA GLY 53 2HA GLY 53 -14.845 -16.388 -11.304 451 2HA GLY 53 1HA GLY 53 -13.565 -15.797 -12.365 452 H TYR 54 H TYR 54 -11.767 -14.806 -10.445 453 HA TYR 54 HA TYR 54 -10.661 -17.343 -9.450 454 1HB TYR 54 2HB TYR 54 -9.640 -14.498 -9.519 455 2HB TYR 54 1HB TYR 54 -8.763 -15.794 -8.706 456 HD1 TYR 54 HD1 TYR 54 -9.656 -14.311 -11.902 457 HD2 TYR 54 HD2 TYR 54 -8.008 -17.804 -10.017 458 HE1 TYR 54 HE1 TYR 54 -8.717 -15.042 -14.080 459 HE2 TYR 54 HE2 TYR 54 -7.069 -18.535 -12.193 460 HH TYR 54 HH TYR 54 -6.518 -16.728 -14.658 461 H GLU 55 H GLU 55 -12.187 -14.451 -8.162 462 HA GLU 55 HA GLU 55 -12.932 -13.963 -5.989 463 1HB GLU 55 2HB GLU 55 -13.010 -16.877 -6.243 464 2HB GLU 55 1HB GLU 55 -12.759 -16.352 -4.577 465 1HG GLU 55 2HG GLU 55 -14.693 -14.717 -4.954 466 2HG GLU 55 1HG GLU 55 -15.031 -15.620 -6.430 467 H GLY 56 H GLY 56 -11.991 -13.389 -3.979 468 1HA GLY 56 2HA GLY 56 -10.230 -12.996 -2.476 469 2HA GLY 56 1HA GLY 56 -9.621 -14.595 -2.911 470 H HIS 57 H HIS 57 -10.085 -12.592 -5.615 471 HA HIS 57 HA HIS 57 -7.161 -11.954 -5.655 472 1HB HIS 57 2HB HIS 57 -8.690 -13.471 -7.476 473 2HB HIS 57 1HB HIS 57 -8.395 -11.926 -8.274 474 HD1 HIS 57 HD1 HIS 57 -6.894 -14.002 -9.634 475 HD2 HIS 57 HD2 HIS 57 -5.388 -12.312 -6.132 476 HE1 HIS 57 HE1 HIS 57 -4.401 -14.451 -9.636 477 H GLU 58 H GLU 58 -7.676 -9.894 -4.620 478 HA GLU 58 HA GLU 58 -9.254 -8.004 -6.290 479 1HB GLU 58 2HB GLU 58 -9.082 -8.392 -3.523 480 2HB GLU 58 1HB GLU 58 -8.172 -6.909 -3.817 481 1HG GLU 58 2HG GLU 58 -10.019 -5.805 -4.743 482 2HG GLU 58 1HG GLU 58 -10.853 -7.312 -5.121 483 H CYS 59 H CYS 59 -7.943 -7.157 -7.863 484 HA CYS 59 HA CYS 59 -5.159 -6.400 -7.133 485 1HB CYS 59 2HB CYS 59 -6.354 -6.234 -9.897 486 2HB CYS 59 1HB CYS 59 -4.661 -6.424 -9.441 487 HG CYS 59 HG CYS 59 -5.513 -8.788 -10.132 488 H ILE 60 H ILE 60 -4.452 -4.268 -8.273 489 HA ILE 60 HA ILE 60 -6.648 -2.254 -8.230 490 HB ILE 60 HB ILE 60 -5.152 -0.732 -6.911 491 1HG1 ILE 60 2HG1 ILE 60 -3.516 -2.697 -5.660 492 2HG1 ILE 60 1HG1 ILE 60 -3.305 -2.879 -7.402 493 1HG2 ILE 60 1HG2 ILE 60 -6.315 -1.447 -5.120 494 2HG2 ILE 60 2HG2 ILE 60 -5.303 -2.887 -4.993 495 3HG2 ILE 60 3HG2 ILE 60 -6.735 -2.901 -6.023 496 1HD1 ILE 60 1HD1 ILE 60 -3.359 -0.074 -6.619 497 2HD1 ILE 60 2HD1 ILE 60 -2.143 -0.951 -7.548 498 3HD1 ILE 60 3HD1 ILE 60 -2.080 -0.958 -5.785 499 H LEU 61 H LEU 61 -6.335 -0.601 -9.739 500 HA LEU 61 HA LEU 61 -3.995 -0.964 -11.534 501 1HB LEU 61 2HB LEU 61 -6.284 -0.934 -12.527 502 2HB LEU 61 1HB LEU 61 -6.488 0.716 -11.940 503 HG LEU 61 HG LEU 61 -4.392 1.328 -13.222 504 1HD1 LEU 61 1HD1 LEU 61 -3.161 -0.362 -14.058 505 2HD1 LEU 61 2HD1 LEU 61 -4.478 -0.714 -15.178 506 3HD1 LEU 61 3HD1 LEU 61 -4.405 -1.532 -13.617 507 1HD2 LEU 61 1HD2 LEU 61 -5.737 0.765 -15.527 508 2HD2 LEU 61 2HD2 LEU 61 -6.162 2.090 -14.445 509 3HD2 LEU 61 3HD2 LEU 61 -7.023 0.555 -14.339 510 H LEU 62 H LEU 62 -2.285 0.322 -11.146 511 HA LEU 62 HA LEU 62 -2.811 3.120 -10.218 512 1HB LEU 62 2HB LEU 62 -1.959 1.834 -8.327 513 2HB LEU 62 1HB LEU 62 -0.617 1.234 -9.303 514 HG LEU 62 HG LEU 62 0.120 3.618 -9.626 515 1HD1 LEU 62 1HD1 LEU 62 -2.161 4.048 -7.692 516 2HD1 LEU 62 2HD1 LEU 62 -1.862 4.866 -9.225 517 3HD1 LEU 62 3HD1 LEU 62 -0.834 5.199 -7.832 518 1HD2 LEU 62 1HD2 LEU 62 0.864 3.876 -7.180 519 2HD2 LEU 62 2HD2 LEU 62 1.296 2.363 -7.974 520 3HD2 LEU 62 3HD2 LEU 62 -0.068 2.413 -6.858 521 H ASP 63 H ASP 63 -0.789 0.915 -12.086 522 HA ASP 63 HA ASP 63 1.088 2.914 -12.985 523 1HB ASP 63 2HB ASP 63 1.044 0.217 -13.126 524 2HB ASP 63 1HB ASP 63 0.481 0.601 -14.752 525 H TYR 64 H TYR 64 -1.835 1.490 -14.473 526 HA TYR 64 HA TYR 64 -1.869 2.734 -16.938 527 1HB TYR 64 2HB TYR 64 -3.681 1.262 -16.177 528 2HB TYR 64 1HB TYR 64 -4.213 2.490 -15.029 529 HD1 TYR 64 HD1 TYR 64 -6.232 3.418 -15.758 530 HD2 TYR 64 HD2 TYR 64 -3.106 2.668 -18.610 531 HE1 TYR 64 HE1 TYR 64 -7.595 4.487 -17.533 532 HE2 TYR 64 HE2 TYR 64 -4.470 3.738 -20.385 533 HH TYR 64 HH TYR 64 -6.643 4.374 -20.900 534 H LEU 65 H LEU 65 -2.331 4.261 -13.805 535 HA LEU 65 HA LEU 65 -3.458 6.724 -14.654 536 1HB LEU 65 2HB LEU 65 -2.228 5.676 -12.271 537 2HB LEU 65 1HB LEU 65 -1.595 7.292 -12.589 538 HG LEU 65 HG LEU 65 -4.535 6.874 -12.894 539 1HD1 LEU 65 1HD1 LEU 65 -3.003 6.640 -10.343 540 2HD1 LEU 65 2HD1 LEU 65 -4.534 5.895 -10.806 541 3HD1 LEU 65 3HD1 LEU 65 -4.490 7.589 -10.313 542 1HD2 LEU 65 1HD2 LEU 65 -3.889 9.071 -13.362 543 2HD2 LEU 65 2HD2 LEU 65 -2.619 9.064 -12.139 544 3HD2 LEU 65 3HD2 LEU 65 -4.310 9.189 -11.653 545 H ASN 66 H ASN 66 -0.010 6.318 -13.774 546 HA ASN 66 HA ASN 66 1.878 7.443 -14.606 547 1HB ASN 66 2HB ASN 66 0.724 5.998 -16.646 548 2HB ASN 66 1HB ASN 66 0.824 7.612 -17.350 549 1HD2 ASN 66 1HD2 ASN 66 2.788 8.019 -18.359 550 2HD2 ASN 66 2HD2 ASN 66 4.269 7.299 -17.947 551 H TYR 67 H TYR 67 2.042 9.266 -16.802 552 HA TYR 67 HA TYR 67 0.578 11.573 -15.609 553 1HB TYR 67 2HB TYR 67 2.284 12.974 -16.666 554 2HB TYR 67 1HB TYR 67 3.067 11.709 -15.719 555 HD1 TYR 67 HD1 TYR 67 4.581 10.213 -16.731 556 HD2 TYR 67 HD2 TYR 67 1.923 12.536 -19.183 557 HE1 TYR 67 HE1 TYR 67 5.753 9.409 -18.764 558 HE2 TYR 67 HE2 TYR 67 3.097 11.734 -21.216 559 HH TYR 67 HH TYR 67 6.013 10.497 -21.288 560 H ARG 68 H ARG 68 -0.475 13.085 -17.050 561 HA ARG 68 HA ARG 68 -0.632 12.719 -19.885 562 1HB ARG 68 2HB ARG 68 -1.837 10.634 -19.036 563 2HB ARG 68 1HB ARG 68 -3.086 11.720 -18.423 564 1HG ARG 68 2HG ARG 68 -3.656 12.476 -20.593 565 2HG ARG 68 1HG ARG 68 -2.163 11.850 -21.294 566 1HD ARG 68 2HD ARG 68 -3.247 9.570 -20.244 567 2HD ARG 68 1HD ARG 68 -4.700 10.454 -20.710 568 HE ARG 68 HE ARG 68 -4.154 9.761 -22.890 569 1HH1 ARG 68 2HH1 ARG 68 -1.325 9.664 -21.003 570 2HH1 ARG 68 1HH1 ARG 68 -0.239 9.792 -22.345 571 1HH2 ARG 68 1HH2 ARG 68 -2.756 10.301 -24.676 572 2HH2 ARG 68 2HH2 ARG 68 -1.049 10.152 -24.424 573 H GLN 69 H GLN 69 -2.579 14.007 -20.777 574 HA GLN 69 HA GLN 69 -2.600 16.606 -19.612 575 1HB GLN 69 2HB GLN 69 -3.147 16.022 -22.015 576 2HB GLN 69 1HB GLN 69 -4.720 15.461 -21.449 577 1HG GLN 69 2HG GLN 69 -5.453 17.592 -20.936 578 2HG GLN 69 1HG GLN 69 -3.825 18.186 -20.610 579 1HE2 GLN 69 1HE2 GLN 69 -6.150 17.500 -23.200 580 2HE2 GLN 69 2HE2 GLN 69 -5.302 18.326 -24.417 581 H ASP 70 H ASP 70 -4.747 17.712 -18.948 582 HA ASP 70 HA ASP 70 -5.935 16.076 -16.793 583 1HB ASP 70 2HB ASP 70 -5.905 19.006 -17.477 584 2HB ASP 70 1HB ASP 70 -7.108 18.377 -16.351 585 H THR 71 H THR 71 -7.014 14.752 -18.610 586 HA THR 71 HA THR 71 -9.073 15.834 -20.244 587 HB THR 71 HB THR 71 -10.006 13.335 -19.763 588 HG1 THR 71 HG1 THR 71 -8.626 12.607 -18.305 589 1HG2 THR 71 1HG2 THR 71 -9.281 14.149 -21.938 590 2HG2 THR 71 2HG2 THR 71 -8.489 12.607 -21.611 591 3HG2 THR 71 3HG2 THR 71 -7.595 14.117 -21.423 592 H LEU 72 H LEU 72 -11.208 16.341 -19.829 593 HA LEU 72 HA LEU 72 -12.110 17.132 -17.328 594 1HB LEU 72 2HB LEU 72 -13.551 16.149 -19.775 595 2HB LEU 72 1HB LEU 72 -14.468 16.494 -18.309 596 HG LEU 72 HG LEU 72 -12.741 18.675 -18.567 597 1HD1 LEU 72 1HD1 LEU 72 -13.853 17.804 -21.248 598 2HD1 LEU 72 2HD1 LEU 72 -12.166 18.120 -20.841 599 3HD1 LEU 72 3HD1 LEU 72 -13.321 19.451 -20.909 600 1HD2 LEU 72 1HD2 LEU 72 -14.712 19.834 -18.444 601 2HD2 LEU 72 2HD2 LEU 72 -15.387 18.237 -18.126 602 3HD2 LEU 72 3HD2 LEU 72 -15.451 18.912 -19.754 603 H ASP 73 H ASP 73 -12.067 13.876 -18.666 604 HA ASP 73 HA ASP 73 -12.295 11.815 -17.554 605 1HB ASP 73 2HB ASP 73 -11.281 13.351 -15.620 606 2HB ASP 73 1HB ASP 73 -12.899 13.147 -14.948 607 H ARG 74 H ARG 74 -14.604 14.048 -18.078 608 HA ARG 74 HA ARG 74 -16.830 13.158 -16.515 609 1HB ARG 74 2HB ARG 74 -16.918 15.259 -17.756 610 2HB ARG 74 1HB ARG 74 -16.739 14.396 -19.284 611 1HG ARG 74 2HG ARG 74 -18.866 13.173 -18.785 612 2HG ARG 74 1HG ARG 74 -19.065 14.183 -17.351 613 1HD ARG 74 2HD ARG 74 -19.912 15.858 -18.592 614 2HD ARG 74 1HD ARG 74 -18.493 15.846 -19.639 615 HE ARG 74 HE ARG 74 -19.703 13.909 -20.846 616 1HH1 ARG 74 2HH1 ARG 74 -22.068 14.113 -18.910 617 2HH1 ARG 74 1HH1 ARG 74 -23.199 15.007 -19.869 618 1HH2 ARG 74 1HH2 ARG 74 -20.826 16.056 -22.169 619 2HH2 ARG 74 2HH2 ARG 74 -22.495 16.108 -21.713 620 H LEU 75 H LEU 75 -15.916 12.331 -19.880 621 HA LEU 75 HA LEU 75 -17.874 10.190 -20.026 622 1HB LEU 75 2HB LEU 75 -16.393 11.602 -21.878 623 2HB LEU 75 1HB LEU 75 -15.593 10.031 -21.876 624 HG LEU 75 HG LEU 75 -17.373 9.958 -23.514 625 1HD1 LEU 75 1HD1 LEU 75 -18.498 8.562 -21.087 626 2HD1 LEU 75 2HD1 LEU 75 -16.999 8.022 -21.841 627 3HD1 LEU 75 3HD1 LEU 75 -18.500 8.017 -22.765 628 1HD2 LEU 75 1HD2 LEU 75 -19.041 11.459 -23.142 629 2HD2 LEU 75 2HD2 LEU 75 -18.799 11.428 -21.396 630 3HD2 LEU 75 3HD2 LEU 75 -19.768 10.176 -22.173 631 H LYS 76 H LYS 76 -14.542 10.463 -19.020 632 HA LYS 76 HA LYS 76 -13.853 7.678 -19.206 633 1HB LYS 76 2HB LYS 76 -12.121 9.377 -18.963 634 2HB LYS 76 1HB LYS 76 -12.785 9.874 -17.407 635 1HG LYS 76 2HG LYS 76 -10.889 8.408 -17.005 636 2HG LYS 76 1HG LYS 76 -12.366 7.557 -16.549 637 1HD LYS 76 2HD LYS 76 -12.332 6.210 -18.487 638 2HD LYS 76 1HD LYS 76 -11.208 7.285 -19.320 639 1HE LYS 76 2HE LYS 76 -9.961 5.346 -18.601 640 2HE LYS 76 1HE LYS 76 -9.482 6.696 -17.573 641 1HZ LYS 76 1HZ LYS 76 -10.587 5.852 -15.784 642 2HZ LYS 76 2HZ LYS 76 -10.153 4.400 -16.553 643 3HZ LYS 76 3HZ LYS 76 -11.727 5.017 -16.721 644 H GLU 77 H GLU 77 -15.538 9.596 -16.782 645 HA GLU 77 HA GLU 77 -15.385 7.680 -14.648 646 1HB GLU 77 2HB GLU 77 -16.497 10.230 -15.014 647 2HB GLU 77 1HB GLU 77 -17.872 9.183 -14.655 648 1HG GLU 77 2HG GLU 77 -17.154 8.741 -12.527 649 2HG GLU 77 1HG GLU 77 -15.451 8.773 -12.986 650 H ARG 78 H ARG 78 -17.576 8.070 -17.391 651 HA ARG 78 HA ARG 78 -19.433 6.027 -16.458 652 1HB ARG 78 2HB ARG 78 -19.117 7.731 -18.873 653 2HB ARG 78 1HB ARG 78 -19.963 6.200 -19.103 654 1HG ARG 78 2HG ARG 78 -21.702 6.787 -17.683 655 2HG ARG 78 1HG ARG 78 -20.703 7.905 -16.754 656 1HD ARG 78 2HD ARG 78 -21.786 9.504 -17.960 657 2HD ARG 78 1HD ARG 78 -20.632 9.074 -19.221 658 HE ARG 78 HE ARG 78 -23.361 8.792 -19.568 659 1HH1 ARG 78 2HH1 ARG 78 -20.611 7.436 -20.760 660 2HH1 ARG 78 1HH1 ARG 78 -21.308 5.917 -21.215 661 1HH2 ARG 78 1HH2 ARG 78 -24.300 6.492 -19.560 662 2HH2 ARG 78 2HH2 ARG 78 -23.396 5.382 -20.537 663 H LEU 79 H LEU 79 -16.681 6.148 -18.690 664 HA LEU 79 HA LEU 79 -17.004 3.492 -19.731 665 1HB LEU 79 2HB LEU 79 -15.549 5.190 -20.794 666 2HB LEU 79 1HB LEU 79 -14.465 5.117 -19.405 667 HG LEU 79 HG LEU 79 -13.953 2.793 -19.846 668 1HD1 LEU 79 1HD1 LEU 79 -15.077 2.152 -22.288 669 2HD1 LEU 79 2HD1 LEU 79 -16.388 3.004 -21.474 670 3HD1 LEU 79 3HD1 LEU 79 -15.660 1.585 -20.724 671 1HD2 LEU 79 1HD2 LEU 79 -12.458 3.962 -21.154 672 2HD2 LEU 79 2HD2 LEU 79 -13.729 4.793 -22.048 673 3HD2 LEU 79 3HD2 LEU 79 -13.323 3.122 -22.440 674 H VAL 80 H VAL 80 -15.357 4.778 -16.873 675 HA VAL 80 HA VAL 80 -13.774 2.671 -16.054 676 HB VAL 80 HB VAL 80 -15.728 4.091 -14.226 677 1HG1 VAL 80 1HG1 VAL 80 -13.531 3.780 -12.755 678 2HG1 VAL 80 2HG1 VAL 80 -13.265 2.434 -13.864 679 3HG1 VAL 80 3HG1 VAL 80 -14.728 2.492 -12.883 680 1HG2 VAL 80 1HG2 VAL 80 -13.263 5.346 -14.024 681 2HG2 VAL 80 2HG2 VAL 80 -14.659 5.973 -14.904 682 3HG2 VAL 80 3HG2 VAL 80 -13.419 5.053 -15.757 683 H GLY 81 H GLY 81 -14.263 0.881 -14.493 684 1HA GLY 81 2HA GLY 81 -15.650 -0.869 -13.668 685 2HA GLY 81 1HA GLY 81 -17.027 -0.120 -14.477 686 H ARG 82 H ARG 82 -16.154 0.056 -17.086 687 HA ARG 82 HA ARG 82 -16.781 -2.328 -18.289 688 1HB ARG 82 2HB ARG 82 -15.830 0.076 -19.196 689 2HB ARG 82 1HB ARG 82 -14.498 -1.004 -19.611 690 1HG ARG 82 2HG ARG 82 -17.262 -1.949 -20.217 691 2HG ARG 82 1HG ARG 82 -16.601 -0.670 -21.237 692 1HD ARG 82 2HD ARG 82 -14.550 -2.614 -20.859 693 2HD ARG 82 1HD ARG 82 -16.022 -3.471 -21.317 694 HE ARG 82 HE ARG 82 -16.110 -1.778 -23.265 695 1HH1 ARG 82 2HH1 ARG 82 -13.487 -0.528 -22.190 696 2HH1 ARG 82 1HH1 ARG 82 -12.347 -1.196 -23.309 697 1HH2 ARG 82 1HH2 ARG 82 -14.529 -3.615 -24.495 698 2HH2 ARG 82 2HH2 ARG 82 -12.936 -2.944 -24.613 699 H VAL 83 H VAL 83 -15.397 -3.981 -19.374 700 HA VAL 83 HA VAL 83 -13.179 -4.783 -17.564 701 HB VAL 83 HB VAL 83 -13.418 -7.008 -18.622 702 1HG1 VAL 83 1HG1 VAL 83 -15.049 -7.449 -17.129 703 2HG1 VAL 83 2HG1 VAL 83 -16.240 -6.586 -18.103 704 3HG1 VAL 83 3HG1 VAL 83 -15.255 -5.708 -16.932 705 1HG2 VAL 83 1HG2 VAL 83 -14.926 -5.411 -20.547 706 2HG2 VAL 83 2HG2 VAL 83 -15.840 -6.818 -20.002 707 3HG2 VAL 83 3HG2 VAL 83 -14.245 -7.029 -20.728 708 H ILE 84 H ILE 84 -11.089 -5.160 -18.380 709 HA ILE 84 HA ILE 84 -10.614 -4.779 -21.274 710 HB ILE 84 HB ILE 84 -9.136 -2.929 -21.037 711 1HG1 ILE 84 2HG1 ILE 84 -7.963 -3.659 -19.019 712 2HG1 ILE 84 1HG1 ILE 84 -8.543 -2.009 -18.790 713 1HG2 ILE 84 1HG2 ILE 84 -10.547 -1.220 -19.844 714 2HG2 ILE 84 2HG2 ILE 84 -11.563 -2.538 -19.264 715 3HG2 ILE 84 3HG2 ILE 84 -11.447 -2.211 -20.992 716 1HD1 ILE 84 1HD1 ILE 84 -9.477 -4.544 -17.516 717 2HD1 ILE 84 2HD1 ILE 84 -10.677 -3.290 -17.823 718 3HD1 ILE 84 3HD1 ILE 84 -9.278 -2.942 -16.809 719 H LYS 85 H LYS 85 -8.116 -5.012 -21.660 720 HA LYS 85 HA LYS 85 -7.208 -7.276 -19.944 721 1HB LYS 85 2HB LYS 85 -7.168 -6.764 -22.797 722 2HB LYS 85 1HB LYS 85 -5.537 -7.080 -22.202 723 1HG LYS 85 2HG LYS 85 -6.256 -9.164 -21.178 724 2HG LYS 85 1HG LYS 85 -7.937 -8.831 -21.598 725 1HD LYS 85 2HD LYS 85 -6.606 -8.591 -24.026 726 2HD LYS 85 1HD LYS 85 -5.804 -9.958 -23.249 727 1HE LYS 85 2HE LYS 85 -8.815 -9.722 -23.370 728 2HE LYS 85 1HE LYS 85 -7.884 -10.504 -24.648 729 1HZ LYS 85 1HZ LYS 85 -7.391 -11.287 -21.865 730 2HZ LYS 85 2HZ LYS 85 -7.263 -12.207 -23.287 731 3HZ LYS 85 3HZ LYS 85 -8.792 -11.864 -22.629 732 H THR 86 H THR 86 -5.925 -6.461 -18.336 733 HA THR 86 HA THR 86 -3.889 -4.406 -19.098 734 HB THR 86 HB THR 86 -3.804 -4.050 -16.547 735 HG1 THR 86 HG1 THR 86 -6.368 -5.210 -16.664 736 1HG2 THR 86 1HG2 THR 86 -6.501 -3.390 -17.701 737 2HG2 THR 86 2HG2 THR 86 -5.044 -2.670 -18.383 738 3HG2 THR 86 3HG2 THR 86 -5.455 -2.394 -16.690 739 H ARG 87 H ARG 87 -1.889 -4.615 -17.503 740 HA ARG 87 HA ARG 87 -1.005 -7.445 -17.723 741 1HB ARG 87 2HB ARG 87 0.419 -4.801 -17.556 742 2HB ARG 87 1HB ARG 87 1.270 -6.289 -17.138 743 1HG ARG 87 2HG ARG 87 1.488 -5.596 -19.564 744 2HG ARG 87 1HG ARG 87 0.862 -7.227 -19.318 745 1HD ARG 87 2HD ARG 87 -1.370 -6.558 -19.786 746 2HD ARG 87 1HD ARG 87 -0.973 -4.847 -19.626 747 HE ARG 87 HE ARG 87 0.620 -5.816 -21.728 748 1HH1 ARG 87 2HH1 ARG 87 -2.360 -4.409 -21.085 749 2HH1 ARG 87 1HH1 ARG 87 -3.050 -4.739 -22.639 750 1HH2 ARG 87 1HH2 ARG 87 -0.416 -6.743 -23.677 751 2HH2 ARG 87 2HH2 ARG 87 -1.949 -6.061 -24.108 752 H VAL 88 H VAL 88 0.242 -8.365 -15.918 753 HA VAL 88 HA VAL 88 -0.911 -7.528 -13.314 754 HB VAL 88 HB VAL 88 0.735 -9.997 -13.899 755 1HG1 VAL 88 1HG1 VAL 88 0.541 -9.691 -11.564 756 2HG1 VAL 88 2HG1 VAL 88 -0.774 -10.800 -11.952 757 3HG1 VAL 88 3HG1 VAL 88 -1.111 -9.088 -11.693 758 1HG2 VAL 88 1HG2 VAL 88 -0.984 -10.753 -15.149 759 2HG2 VAL 88 2HG2 VAL 88 -1.921 -9.297 -14.816 760 3HG2 VAL 88 3HG2 VAL 88 -1.999 -10.668 -13.709 761 H VAL 89 H VAL 89 0.311 -6.202 -12.094 762 HA VAL 89 HA VAL 89 3.139 -5.824 -12.642 763 HB VAL 89 HB VAL 89 1.333 -4.744 -10.467 764 1HG1 VAL 89 1HG1 VAL 89 4.209 -4.099 -11.178 765 2HG1 VAL 89 2HG1 VAL 89 3.613 -4.731 -9.643 766 3HG1 VAL 89 3HG1 VAL 89 3.204 -3.089 -10.139 767 1HG2 VAL 89 1HG2 VAL 89 1.499 -4.154 -13.187 768 2HG2 VAL 89 2HG2 VAL 89 2.477 -2.901 -12.424 769 3HG2 VAL 89 3HG2 VAL 89 0.794 -3.118 -11.946 770 H ARG 90 H ARG 90 1.247 -7.350 -10.037 771 HA ARG 90 HA ARG 90 3.212 -9.285 -9.419 772 1HB ARG 90 2HB ARG 90 4.186 -6.874 -8.642 773 2HB ARG 90 1HB ARG 90 3.305 -7.335 -7.185 774 1HG ARG 90 2HG ARG 90 4.509 -9.669 -7.615 775 2HG ARG 90 1HG ARG 90 5.670 -8.645 -8.461 776 1HD ARG 90 2HD ARG 90 6.544 -7.970 -6.502 777 2HD ARG 90 1HD ARG 90 4.964 -7.391 -5.975 778 HE ARG 90 HE ARG 90 5.235 -10.278 -5.714 779 1HH1 ARG 90 1HH2 ARG 90 4.386 -7.543 -4.087 780 2HH1 ARG 90 2HH2 ARG 90 5.100 -7.974 -2.569 781 1HH2 ARG 90 2HH1 ARG 90 6.811 -10.705 -3.848 782 2HH2 ARG 90 1HH1 ARG 90 6.473 -9.765 -2.433 783 H ALA 91 H ALA 91 1.585 -10.703 -8.921 784 HA ALA 91 HA ALA 91 -0.515 -9.858 -6.998 785 1HB ALA 91 1HB ALA 91 -1.269 -10.994 -9.043 786 2HB ALA 91 2HB ALA 91 -1.613 -11.993 -7.631 787 3HB ALA 91 3HB ALA 91 -0.240 -12.377 -8.668 788 H ASP 92 H ASP 92 -0.580 -10.660 -4.918 789 HA ASP 92 HA ASP 92 1.353 -12.835 -4.241 790 1HB ASP 92 2HB ASP 92 1.712 -10.222 -3.500 791 2HB ASP 92 1HB ASP 92 0.824 -10.860 -2.116 792 H GLY 93 H GLY 93 -1.650 -11.154 -3.418 793 1HA GLY 93 2HA GLY 93 -2.841 -13.665 -2.534 794 2HA GLY 93 1HA GLY 93 -2.561 -12.536 -1.209 795 H LEU 94 H LEU 94 -4.577 -11.756 -0.738 796 HA LEU 94 HA LEU 94 -6.669 -11.364 -2.649 797 1HB LEU 94 2HB LEU 94 -6.313 -11.039 0.166 798 2HB LEU 94 1HB LEU 94 -6.986 -9.537 -0.470 799 HG LEU 94 HG LEU 94 -8.577 -11.177 -1.798 800 1HD1 LEU 94 1HD1 LEU 94 -8.427 -13.347 -1.226 801 2HD1 LEU 94 2HD1 LEU 94 -8.755 -12.932 0.456 802 3HD1 LEU 94 3HD1 LEU 94 -7.094 -12.964 -0.137 803 1HD2 LEU 94 1HD2 LEU 94 -9.596 -11.271 0.876 804 2HD2 LEU 94 2HD2 LEU 94 -10.038 -10.160 -0.420 805 3HD2 LEU 94 3HD2 LEU 94 -8.717 -9.755 0.676 806 H TYR 95 H TYR 95 -3.863 -9.513 -1.932 807 HA TYR 95 HA TYR 95 -5.025 -7.182 -3.402 808 1HB TYR 95 2HB TYR 95 -2.726 -7.284 -1.426 809 2HB TYR 95 1HB TYR 95 -3.217 -5.844 -2.321 810 HD1 TYR 95 HD1 TYR 95 -3.906 -7.993 0.516 811 HD2 TYR 95 HD2 TYR 95 -5.554 -4.925 -2.003 812 HE1 TYR 95 HE1 TYR 95 -5.648 -7.529 2.221 813 HE2 TYR 95 HE2 TYR 95 -7.295 -4.461 -0.298 814 HH TYR 95 HH TYR 95 -7.117 -5.377 2.809 815 H VAL 96 H VAL 96 -4.129 -6.716 -5.359 816 HA VAL 96 HA VAL 96 -1.418 -7.798 -5.969 817 HB VAL 96 HB VAL 96 -3.930 -8.123 -7.632 818 1HG1 VAL 96 1HG1 VAL 96 -1.987 -7.389 -9.016 819 2HG1 VAL 96 2HG1 VAL 96 -2.500 -9.035 -9.385 820 3HG1 VAL 96 3HG1 VAL 96 -1.065 -8.759 -8.398 821 1HG2 VAL 96 1HG2 VAL 96 -2.121 -9.911 -6.062 822 2HG2 VAL 96 2HG2 VAL 96 -2.803 -10.546 -7.560 823 3HG2 VAL 96 3HG2 VAL 96 -3.870 -9.990 -6.273 824 H ASP 97 H ASP 97 -0.366 -6.637 -7.752 825 HA ASP 97 HA ASP 97 -1.360 -3.839 -7.946 826 1HB ASP 97 2HB ASP 97 1.325 -5.149 -8.316 827 2HB ASP 97 1HB ASP 97 1.005 -3.579 -9.053 828 H LEU 98 H LEU 98 -1.698 -2.871 -10.010 829 HA LEU 98 HA LEU 98 -1.573 -4.734 -12.335 830 1HB LEU 98 2HB LEU 98 -3.932 -3.924 -11.029 831 2HB LEU 98 1HB LEU 98 -3.856 -2.955 -12.500 832 HG LEU 98 HG LEU 98 -5.019 -5.197 -12.751 833 1HD1 LEU 98 1HD1 LEU 98 -3.505 -5.792 -14.815 834 2HD1 LEU 98 2HD1 LEU 98 -2.651 -4.315 -14.375 835 3HD1 LEU 98 3HD1 LEU 98 -4.364 -4.253 -14.783 836 1HD2 LEU 98 1HD2 LEU 98 -3.829 -7.197 -12.569 837 2HD2 LEU 98 2HD2 LEU 98 -3.107 -6.255 -11.263 838 3HD2 LEU 98 3HD2 LEU 98 -2.271 -6.405 -12.808 839 H ARG 99 H ARG 99 -0.873 -3.807 -14.209 840 HA ARG 99 HA ARG 99 -0.749 -0.828 -14.340 841 1HB ARG 99 2HB ARG 99 1.546 -0.921 -15.171 842 2HB ARG 99 1HB ARG 99 1.467 -1.711 -13.597 843 1HG ARG 99 2HG ARG 99 2.502 -3.446 -14.632 844 2HG ARG 99 1HG ARG 99 0.909 -3.793 -15.306 845 1HD ARG 99 2HD ARG 99 1.447 -2.950 -17.376 846 2HD ARG 99 1HD ARG 99 2.545 -1.741 -16.713 847 HE ARG 99 HE ARG 99 3.434 -4.145 -17.793 848 1HH1 ARG 99 2HH1 ARG 99 4.340 -1.876 -15.526 849 2HH1 ARG 99 1HH1 ARG 99 5.480 -2.884 -14.699 850 1HH2 ARG 99 1HH2 ARG 99 4.557 -5.769 -16.385 851 2HH2 ARG 99 2HH2 ARG 99 5.605 -5.087 -15.186 852 H ARG 100 H ARG 100 -1.634 -0.165 -16.233 853 HA ARG 100 HA ARG 100 -2.396 -2.065 -18.282 854 1HB ARG 100 2HB ARG 100 -3.795 -0.127 -17.931 855 2HB ARG 100 1HB ARG 100 -2.434 0.964 -18.195 856 1HG ARG 100 2HG ARG 100 -2.974 1.012 -20.379 857 2HG ARG 100 1HG ARG 100 -2.531 -0.692 -20.475 858 1HD ARG 100 2HD ARG 100 -4.689 -1.125 -20.961 859 2HD ARG 100 1HD ARG 100 -5.070 -0.693 -19.294 860 HE ARG 100 HE ARG 100 -5.628 1.561 -20.067 861 1HH1 ARG 100 2HH1 ARG 100 -7.062 -0.494 -21.901 862 2HH1 ARG 100 1HH1 ARG 100 -6.848 0.272 -23.440 863 1HH2 ARG 100 1HH2 ARG 100 -4.398 2.452 -22.312 864 2HH2 ARG 100 2HH2 ARG 100 -5.340 1.939 -23.673 865 H PHE 101 H PHE 101 -1.175 -2.733 -19.984 866 HA PHE 101 HA PHE 101 1.479 -1.519 -20.385 867 1HB PHE 101 2HB PHE 101 0.890 -4.055 -20.432 868 2HB PHE 101 1HB PHE 101 0.318 -3.732 -22.069 869 HD1 PHE 101 HD1 PHE 101 3.282 -3.286 -19.829 870 HD2 PHE 101 HD2 PHE 101 1.839 -3.604 -23.864 871 HE1 PHE 101 HE1 PHE 101 5.619 -3.349 -20.659 872 HE2 PHE 101 HE2 PHE 101 4.177 -3.667 -24.695 873 HZ PHE 101 HZ PHE 101 6.067 -3.540 -23.092 874 H PHE 102 HN PHE 102 2.145 -1.223 -22.784 875 HA PHE 102 HA PHE 102 0.130 0.555 -24.019 876 1HB PHE 102 2HB PHE 102 2.494 1.314 -23.735 877 2HB PHE 102 1HB PHE 102 3.005 0.028 -24.828 878 HD1 PHE 102 HD1 PHE 102 0.825 3.051 -24.595 879 HD2 PHE 102 HD2 PHE 102 2.883 0.299 -27.175 880 HE1 PHE 102 HE1 PHE 102 0.315 4.498 -26.545 881 HE2 PHE 102 HE2 PHE 102 2.373 1.747 -29.125 882 HZ PHE 102 HZ PHE 102 1.089 3.846 -28.810 Start of MODEL 5 1 1H MET 1 1H MET 1 22.032 -57.652 -33.524 2 2H MET 1 2H MET 1 22.480 -56.894 -32.070 3 3H MET 1 3H MET 1 23.400 -58.188 -32.677 4 HA MET 1 HA MET 1 24.698 -56.761 -33.730 5 1HB MET 1 2HB MET 1 22.189 -56.758 -35.193 6 2HB MET 1 1HB MET 1 23.013 -55.206 -35.352 7 1HG MET 1 2HG MET 1 25.120 -56.870 -35.677 8 2HG MET 1 1HG MET 1 23.834 -57.892 -36.319 9 1HE MET 1 1HE MET 1 24.946 -57.889 -38.728 10 2HE MET 1 2HE MET 1 26.245 -57.007 -37.928 11 3HE MET 1 3HE MET 1 25.607 -56.420 -39.461 12 H THR 2 H THR 2 24.526 -55.757 -31.368 13 HA THR 2 HA THR 2 24.021 -52.850 -31.778 14 HB THR 2 HB THR 2 22.074 -53.765 -30.562 15 HG1 THR 2 HG1 THR 2 23.415 -51.734 -29.944 16 1HG2 THR 2 1HG2 THR 2 22.279 -54.948 -28.523 17 2HG2 THR 2 2HG2 THR 2 23.976 -54.502 -28.339 18 3HG2 THR 2 3HG2 THR 2 23.499 -55.670 -29.571 19 H VAL 3 H VAL 3 26.532 -53.983 -31.959 20 HA VAL 3 HA VAL 3 28.023 -54.278 -29.585 21 HB VAL 3 HB VAL 3 28.836 -53.073 -32.247 22 1HG1 VAL 3 1HG1 VAL 3 31.155 -53.488 -31.508 23 2HG1 VAL 3 2HG1 VAL 3 30.561 -54.011 -29.933 24 3HG1 VAL 3 3HG1 VAL 3 30.352 -52.336 -30.442 25 1HG2 VAL 3 1HG2 VAL 3 28.243 -55.349 -32.565 26 2HG2 VAL 3 2HG2 VAL 3 28.937 -55.831 -31.017 27 3HG2 VAL 3 3HG2 VAL 3 29.994 -55.382 -32.355 28 H ILE 4 H ILE 4 27.186 -51.309 -31.365 29 HA ILE 4 HA ILE 4 27.999 -49.770 -28.930 30 HB ILE 4 HB ILE 4 29.462 -49.435 -30.992 31 1HG1 ILE 4 2HG1 ILE 4 29.338 -46.909 -30.793 32 2HG1 ILE 4 1HG1 ILE 4 27.912 -47.130 -29.779 33 1HG2 ILE 4 1HG2 ILE 4 26.915 -49.149 -32.199 34 2HG2 ILE 4 2HG2 ILE 4 28.492 -48.949 -32.963 35 3HG2 ILE 4 3HG2 ILE 4 27.675 -47.558 -32.251 36 1HD1 ILE 4 1HD1 ILE 4 30.278 -48.760 -29.043 37 2HD1 ILE 4 2HD1 ILE 4 29.127 -47.917 -28.008 38 3HD1 ILE 4 3HD1 ILE 4 30.433 -47.022 -28.785 39 H LYS 5 H LYS 5 26.676 -47.858 -28.508 40 HA LYS 5 HA LYS 5 23.883 -48.263 -29.413 41 1HB LYS 5 2HB LYS 5 25.168 -47.249 -27.013 42 2HB LYS 5 1HB LYS 5 23.967 -46.106 -27.619 43 1HG LYS 5 2HG LYS 5 22.457 -47.419 -26.548 44 2HG LYS 5 1HG LYS 5 22.668 -48.516 -27.914 45 1HD LYS 5 2HD LYS 5 24.728 -49.384 -26.522 46 2HD LYS 5 1HD LYS 5 23.858 -48.671 -25.164 47 1HE LYS 5 2HE LYS 5 22.241 -50.337 -27.014 48 2HE LYS 5 1HE LYS 5 23.419 -51.198 -26.025 49 1HZ LYS 5 1HZ LYS 5 21.433 -51.089 -24.783 50 2HZ LYS 5 2HZ LYS 5 21.222 -49.434 -25.106 51 3HZ LYS 5 3HZ LYS 5 22.479 -49.951 -24.087 52 HA PRO 6 HA PRO 6 23.792 -44.697 -31.961 53 1HB PRO 6 2HB PRO 6 21.312 -43.660 -31.384 54 2HB PRO 6 1HB PRO 6 21.558 -45.133 -32.337 55 1HG PRO 6 2HG PRO 6 20.616 -44.855 -29.521 56 2HG PRO 6 1HG PRO 6 20.297 -46.150 -30.688 57 1HD PRO 6 2HD PRO 6 22.161 -46.257 -28.559 58 2HD PRO 6 1HD PRO 6 22.059 -47.397 -29.919 59 H SER 7 H SER 7 25.036 -42.906 -31.551 60 HA SER 7 HA SER 7 24.996 -41.554 -28.977 61 1HB SER 7 2HB SER 7 26.670 -41.594 -31.313 62 2HB SER 7 1HB SER 7 26.266 -39.924 -30.929 63 HG SER 7 HG SER 7 27.786 -40.171 -29.489 64 H SER 8 H SER 8 24.800 -39.026 -29.056 65 HA SER 8 HA SER 8 22.663 -38.144 -30.914 66 1HB SER 8 2HB SER 8 22.444 -38.115 -27.892 67 2HB SER 8 1HB SER 8 21.386 -37.191 -28.956 68 HG SER 8 HG SER 8 21.224 -39.754 -28.260 69 H ARG 9 H ARG 9 23.314 -36.210 -31.703 70 HA ARG 9 HA ARG 9 24.558 -34.243 -29.871 71 1HB ARG 9 2HB ARG 9 26.266 -35.775 -31.241 72 2HB ARG 9 1HB ARG 9 25.895 -34.616 -32.518 73 1HG ARG 9 2HG ARG 9 26.264 -33.041 -30.236 74 2HG ARG 9 1HG ARG 9 27.531 -34.265 -30.137 75 1HD ARG 9 2HD ARG 9 27.003 -32.308 -32.376 76 2HD ARG 9 1HD ARG 9 28.479 -32.514 -31.433 77 HE ARG 9 HE ARG 9 27.590 -34.248 -33.657 78 1HH1 ARG 9 2HH1 ARG 9 28.702 -35.811 -31.278 79 2HH1 ARG 9 1HH1 ARG 9 30.373 -35.933 -31.717 80 1HH2 ARG 9 1HH2 ARG 9 30.197 -33.449 -34.129 81 2HH2 ARG 9 2HH2 ARG 9 31.220 -34.595 -33.329 82 HA PRO 10 HA PRO 10 21.598 -32.345 -32.801 83 1HB PRO 10 2HB PRO 10 20.331 -30.855 -30.868 84 2HB PRO 10 1HB PRO 10 19.872 -32.516 -31.280 85 1HG PRO 10 2HG PRO 10 21.344 -31.516 -28.888 86 2HG PRO 10 1HG PRO 10 20.341 -32.965 -29.063 87 1HD PRO 10 2HD PRO 10 23.172 -32.898 -29.075 88 2HD PRO 10 1HD PRO 10 22.157 -34.269 -29.573 89 H ARG 11 H ARG 11 20.969 -29.708 -32.491 90 HA ARG 11 HA ARG 11 23.481 -28.372 -32.997 91 1HB ARG 11 2HB ARG 11 20.869 -26.978 -32.398 92 2HB ARG 11 1HB ARG 11 22.177 -26.444 -33.454 93 1HG ARG 11 2HG ARG 11 21.220 -27.486 -35.201 94 2HG ARG 11 1HG ARG 11 21.284 -29.022 -34.337 95 1HD ARG 11 2HD ARG 11 19.034 -28.957 -34.237 96 2HD ARG 11 1HD ARG 11 19.196 -27.605 -33.116 97 HE ARG 11 HE ARG 11 19.335 -26.822 -35.932 98 1HH1 ARG 11 1HH2 ARG 11 16.790 -28.336 -34.604 99 2HH1 ARG 11 2HH2 ARG 11 15.728 -26.971 -34.518 100 1HH2 ARG 11 2HH1 ARG 11 18.216 -24.657 -35.214 101 2HH2 ARG 11 1HH1 ARG 11 16.536 -24.887 -34.860 102 HA PRO 12 HA PRO 12 24.470 -27.143 -28.895 103 1HB PRO 12 2HB PRO 12 26.131 -25.043 -29.522 104 2HB PRO 12 1HB PRO 12 26.599 -26.745 -29.679 105 1HG PRO 12 2HG PRO 12 25.879 -24.790 -31.816 106 2HG PRO 12 1HG PRO 12 26.922 -26.220 -31.908 107 1HD PRO 12 2HD PRO 12 24.253 -26.060 -32.829 108 2HD PRO 12 1HD PRO 12 25.188 -27.553 -32.593 109 H ARG 13 H ARG 13 22.469 -26.295 -28.103 110 HA ARG 13 HA ARG 13 21.517 -23.663 -28.911 111 1HB ARG 13 2HB ARG 13 20.727 -25.542 -26.670 112 2HB ARG 13 1HB ARG 13 19.930 -23.996 -26.961 113 1HG ARG 13 2HG ARG 13 20.070 -25.297 -29.470 114 2HG ARG 13 1HG ARG 13 19.525 -26.511 -28.312 115 1HD ARG 13 2HD ARG 13 17.555 -25.422 -27.889 116 2HD ARG 13 1HD ARG 13 18.280 -23.825 -28.074 117 HE ARG 13 HE ARG 13 17.077 -25.427 -30.213 118 1HH1 ARG 13 1HH2 ARG 13 19.652 -24.737 -31.392 119 2HH1 ARG 13 2HH2 ARG 13 19.401 -23.141 -32.015 120 1HH2 ARG 13 2HH1 ARG 13 16.558 -22.561 -30.117 121 2HH2 ARG 13 1HH1 ARG 13 17.650 -21.908 -31.293 122 H LYS 14 H LYS 14 22.951 -22.023 -28.383 123 HA LYS 14 HA LYS 14 24.318 -22.010 -25.787 124 1HB LYS 14 2HB LYS 14 24.207 -20.010 -28.064 125 2HB LYS 14 1HB LYS 14 25.150 -19.763 -26.594 126 1HG LYS 14 2HG LYS 14 25.912 -22.299 -27.312 127 2HG LYS 14 1HG LYS 14 25.681 -21.538 -28.887 128 1HD LYS 14 2HD LYS 14 27.587 -20.366 -28.657 129 2HD LYS 14 1HD LYS 14 27.044 -19.715 -27.110 130 1HE LYS 14 2HE LYS 14 28.029 -22.547 -27.232 131 2HE LYS 14 1HE LYS 14 29.202 -21.231 -27.215 132 1HZ LYS 14 1HZ LYS 14 28.398 -20.460 -25.167 133 2HZ LYS 14 2HZ LYS 14 28.504 -22.146 -24.987 134 3HZ LYS 14 3HZ LYS 14 26.996 -21.410 -25.251 135 H ASN 15 H ASN 15 22.614 -19.249 -27.232 136 HA ASN 15 HA ASN 15 20.533 -19.188 -25.220 137 1HB ASN 15 2HB ASN 15 22.702 -18.479 -23.993 138 2HB ASN 15 1HB ASN 15 22.582 -16.992 -24.935 139 1HD2 ASN 15 1HD2 ASN 15 21.387 -15.374 -23.928 140 2HD2 ASN 15 2HD2 ASN 15 20.164 -15.633 -22.779 141 H LYS 16 H LYS 16 19.021 -18.590 -26.729 142 HA LYS 16 HA LYS 16 18.981 -15.870 -27.690 143 1HB LYS 16 2HB LYS 16 20.351 -17.783 -29.331 144 2HB LYS 16 1HB LYS 16 18.860 -17.308 -30.146 145 1HG LYS 16 2HG LYS 16 19.501 -15.096 -30.336 146 2HG LYS 16 1HG LYS 16 20.513 -15.157 -28.892 147 1HD LYS 16 2HD LYS 16 22.257 -15.299 -30.331 148 2HD LYS 16 1HD LYS 16 21.752 -16.972 -30.562 149 1HE LYS 16 2HE LYS 16 21.913 -15.997 -32.752 150 2HE LYS 16 1HE LYS 16 20.194 -16.138 -32.386 151 1HZ LYS 16 1HZ LYS 16 21.693 -13.671 -31.764 152 2HZ LYS 16 2HZ LYS 16 20.017 -13.878 -31.956 153 3HZ LYS 16 3HZ LYS 16 21.044 -13.933 -33.308 154 H ASN 17 H ASN 17 17.832 -18.878 -29.231 155 HA ASN 17 HA ASN 17 15.628 -19.494 -29.793 156 1HB ASN 17 2HB ASN 17 15.601 -18.751 -26.884 157 2HB ASN 17 1HB ASN 17 14.082 -19.167 -27.679 158 1HD2 ASN 17 1HD2 ASN 17 17.317 -20.443 -26.870 159 2HD2 ASN 17 2HD2 ASN 17 16.901 -22.077 -27.068 160 H ILE 18 H ILE 18 15.826 -17.356 -31.175 161 HA ILE 18 HA ILE 18 13.853 -15.335 -30.227 162 HB ILE 18 HB ILE 18 14.707 -14.153 -32.400 163 1HG1 ILE 18 2HG1 ILE 18 17.222 -15.680 -31.939 164 2HG1 ILE 18 1HG1 ILE 18 15.956 -16.503 -32.851 165 1HG2 ILE 18 1HG2 ILE 18 16.188 -12.966 -31.077 166 2HG2 ILE 18 2HG2 ILE 18 16.874 -14.423 -30.357 167 3HG2 ILE 18 3HG2 ILE 18 15.301 -13.832 -29.823 168 1HD1 ILE 18 1HD1 ILE 18 17.509 -14.046 -33.556 169 2HD1 ILE 18 2HD1 ILE 18 15.842 -14.165 -34.119 170 3HD1 ILE 18 3HD1 ILE 18 17.018 -15.395 -34.581 171 H LYS 19 H LYS 19 14.224 -17.980 -32.383 172 HA LYS 19 HA LYS 19 11.631 -17.252 -33.683 173 1HB LYS 19 2HB LYS 19 12.655 -18.916 -35.515 174 2HB LYS 19 1HB LYS 19 12.997 -17.187 -35.542 175 1HG LYS 19 2HG LYS 19 15.107 -17.505 -34.429 176 2HG LYS 19 1HG LYS 19 14.739 -19.198 -34.097 177 1HD LYS 19 2HD LYS 19 15.593 -19.800 -36.088 178 2HD LYS 19 1HD LYS 19 14.467 -18.725 -36.917 179 1HE LYS 19 2HE LYS 19 16.257 -16.920 -35.932 180 2HE LYS 19 1HE LYS 19 17.311 -18.303 -36.223 181 1HZ LYS 19 1HZ LYS 19 15.928 -16.610 -38.109 182 2HZ LYS 19 2HZ LYS 19 15.804 -18.273 -38.443 183 3HZ LYS 19 3HZ LYS 19 17.332 -17.541 -38.311 184 H VAL 20 H VAL 20 13.247 -19.399 -31.659 185 HA VAL 20 HA VAL 20 11.614 -21.746 -32.420 186 HB VAL 20 HB VAL 20 13.550 -21.446 -30.107 187 1HG1 VAL 20 1HG1 VAL 20 12.333 -23.386 -29.684 188 2HG1 VAL 20 2HG1 VAL 20 13.643 -24.023 -30.678 189 3HG1 VAL 20 3HG1 VAL 20 12.062 -23.711 -31.396 190 1HG2 VAL 20 1HG2 VAL 20 15.131 -22.658 -31.665 191 2HG2 VAL 20 2HG2 VAL 20 14.773 -20.998 -32.144 192 3HG2 VAL 20 3HG2 VAL 20 13.987 -22.344 -32.970 193 H ASN 21 H ASN 21 9.732 -20.102 -31.816 194 HA ASN 21 HA ASN 21 9.058 -20.611 -28.946 195 1HB ASN 21 2HB ASN 21 9.591 -18.173 -29.590 196 2HB ASN 21 1HB ASN 21 8.080 -18.212 -30.500 197 1HD2 ASN 21 1HD2 ASN 21 9.008 -16.908 -27.776 198 2HD2 ASN 21 2HD2 ASN 21 7.723 -17.282 -26.733 199 H THR 22 H THR 22 7.804 -22.458 -29.455 200 HA THR 22 HA THR 22 5.360 -21.886 -31.084 201 HB THR 22 HB THR 22 6.841 -23.533 -32.186 202 HG1 THR 22 HG1 THR 22 5.258 -25.079 -32.446 203 1HG2 THR 22 1HG2 THR 22 7.848 -24.329 -30.000 204 2HG2 THR 22 2HG2 THR 22 7.417 -25.612 -31.131 205 3HG2 THR 22 3HG2 THR 22 6.375 -25.266 -29.749 206 H TYR 23 H TYR 23 5.297 -21.228 -28.423 207 HA TYR 23 HA TYR 23 4.292 -23.497 -26.854 208 1HB TYR 23 2HB TYR 23 4.687 -20.556 -26.349 209 2HB TYR 23 1HB TYR 23 3.691 -21.514 -25.251 210 HD1 TYR 23 HD1 TYR 23 4.863 -22.131 -23.337 211 HD2 TYR 23 HD2 TYR 23 6.885 -22.148 -27.129 212 HE1 TYR 23 HE1 TYR 23 6.909 -23.007 -22.242 213 HE2 TYR 23 HE2 TYR 23 8.932 -23.025 -26.033 214 HH TYR 23 HH TYR 23 9.898 -22.926 -23.598 215 H ARG 24 H ARG 24 2.162 -24.072 -26.687 216 HA ARG 24 HA ARG 24 0.175 -22.286 -28.029 217 1HB ARG 24 2HB ARG 24 0.480 -24.594 -28.976 218 2HB ARG 24 1HB ARG 24 -0.071 -25.249 -27.433 219 1HG ARG 24 2HG ARG 24 -2.223 -24.900 -27.992 220 2HG ARG 24 1HG ARG 24 -1.897 -23.204 -28.349 221 1HD ARG 24 2HD ARG 24 -2.181 -23.667 -30.533 222 2HD ARG 24 1HD ARG 24 -0.733 -24.672 -30.460 223 HE ARG 24 HE ARG 24 -3.371 -25.851 -29.723 224 1HH1 ARG 24 2HH1 ARG 24 -3.177 -25.780 -32.634 225 2HH1 ARG 24 1HH1 ARG 24 -2.315 -27.232 -33.018 226 1HH2 ARG 24 1HH2 ARG 24 -1.113 -27.688 -29.798 227 2HH2 ARG 24 2HH2 ARG 24 -1.144 -28.311 -31.415 228 H THR 25 H THR 25 0.861 -24.138 -25.099 229 HA THR 25 HA THR 25 -1.575 -22.917 -23.864 230 HB THR 25 HB THR 25 -0.050 -25.419 -23.075 231 HG1 THR 25 HG1 THR 25 -2.394 -26.120 -23.545 232 1HG2 THR 25 1HG2 THR 25 -1.470 -25.638 -21.239 233 2HG2 THR 25 2HG2 THR 25 -2.685 -24.558 -21.924 234 3HG2 THR 25 3HG2 THR 25 -1.189 -23.897 -21.266 235 H SER 26 H SER 26 -1.136 -21.304 -22.454 236 HA SER 26 HA SER 26 1.494 -21.367 -21.030 237 1HB SER 26 2HB SER 26 1.044 -19.560 -22.901 238 2HB SER 26 1HB SER 26 0.096 -18.782 -21.636 239 HG SER 26 HG SER 26 1.885 -18.244 -20.678 240 H ALA 27 H ALA 27 -0.073 -22.575 -19.489 241 HA ALA 27 HA ALA 27 -1.390 -20.544 -17.732 242 1HB ALA 27 1HB ALA 27 -2.668 -22.909 -17.133 243 2HB ALA 27 2HB ALA 27 -2.435 -23.045 -18.876 244 3HB ALA 27 3HB ALA 27 -3.306 -21.665 -18.208 245 H MET 28 H MET 28 0.989 -20.701 -16.918 246 HA MET 28 HA MET 28 1.251 -23.017 -15.046 247 1HB MET 28 2HB MET 28 3.380 -21.123 -16.088 248 2HB MET 28 1HB MET 28 3.660 -22.488 -15.006 249 1HG MET 28 2HG MET 28 2.586 -23.954 -16.803 250 2HG MET 28 1HG MET 28 2.715 -22.563 -17.878 251 1HE MET 28 1HE MET 28 4.927 -25.820 -17.691 252 2HE MET 28 2HE MET 28 3.833 -25.393 -16.378 253 3HE MET 28 3HE MET 28 5.574 -25.388 -16.103 254 H ASP 29 H ASP 29 -0.331 -21.739 -13.676 255 HA ASP 29 HA ASP 29 -0.706 -20.434 -11.763 256 1HB ASP 29 2HB ASP 29 2.322 -20.227 -11.751 257 2HB ASP 29 1HB ASP 29 1.253 -19.845 -10.401 258 H LEU 30 H LEU 30 0.071 -18.090 -10.863 259 HA LEU 30 HA LEU 30 -0.239 -16.303 -13.197 260 1HB LEU 30 2HB LEU 30 -1.363 -16.255 -10.711 261 2HB LEU 30 1HB LEU 30 -0.025 -15.126 -10.492 262 HG LEU 30 HG LEU 30 -1.090 -14.467 -12.993 263 1HD1 LEU 30 1HD1 LEU 30 -3.076 -15.842 -12.457 264 2HD1 LEU 30 2HD1 LEU 30 -3.487 -14.129 -12.530 265 3HD1 LEU 30 3HD1 LEU 30 -3.303 -14.926 -10.967 266 1HD2 LEU 30 1HD2 LEU 30 -1.679 -13.208 -10.294 267 2HD2 LEU 30 2HD2 LEU 30 -1.752 -12.400 -11.860 268 3HD2 LEU 30 3HD2 LEU 30 -0.202 -12.948 -11.222 269 H SER 31 H SER 31 1.422 -15.107 -14.007 270 HA SER 31 HA SER 31 3.885 -14.830 -12.332 271 1HB SER 31 2HB SER 31 5.249 -15.519 -14.055 272 2HB SER 31 1HB SER 31 3.818 -16.461 -14.464 273 HG SER 31 HG SER 31 3.895 -15.400 -16.274 274 HA PRO 32 HA PRO 32 3.676 -10.565 -13.347 275 1HB PRO 32 2HB PRO 32 6.349 -9.926 -13.248 276 2HB PRO 32 1HB PRO 32 5.364 -10.243 -11.808 277 1HG PRO 32 2HG PRO 32 7.421 -11.979 -13.094 278 2HG PRO 32 1HG PRO 32 6.882 -11.938 -11.406 279 1HD PRO 32 2HD PRO 32 6.105 -13.844 -13.353 280 2HD PRO 32 1HD PRO 32 5.343 -13.598 -11.768 281 H GLY 33 H GLY 33 3.553 -9.414 -15.261 282 1HA GLY 33 2HA GLY 33 4.459 -8.601 -17.358 283 2HA GLY 33 1HA GLY 33 5.493 -10.029 -17.429 284 H SER 34 H SER 34 2.031 -9.133 -17.474 285 HA SER 34 HA SER 34 1.541 -10.695 -19.851 286 1HB SER 34 2HB SER 34 -0.117 -12.253 -18.547 287 2HB SER 34 1HB SER 34 1.595 -12.670 -18.597 288 HG SER 34 HG SER 34 1.101 -12.746 -16.483 289 H VAL 35 H VAL 35 -0.746 -10.556 -20.496 290 HA VAL 35 HA VAL 35 -2.105 -8.260 -19.155 291 HB VAL 35 HB VAL 35 -3.344 -8.070 -21.346 292 1HG1 VAL 35 1HG1 VAL 35 -1.735 -6.639 -22.062 293 2HG1 VAL 35 2HG1 VAL 35 -0.534 -7.923 -22.200 294 3HG1 VAL 35 3HG1 VAL 35 -0.839 -7.164 -20.637 295 1HG2 VAL 35 1HG2 VAL 35 -2.278 -10.619 -21.757 296 2HG2 VAL 35 2HG2 VAL 35 -1.333 -9.583 -22.827 297 3HG2 VAL 35 3HG2 VAL 35 -3.090 -9.627 -22.968 298 H HIS 36 H HIS 36 -4.367 -8.441 -18.698 299 HA HIS 36 HA HIS 36 -5.691 -11.028 -19.213 300 1HB HIS 36 2HB HIS 36 -4.534 -10.285 -16.621 301 2HB HIS 36 1HB HIS 36 -6.246 -10.697 -16.524 302 HD1 HIS 36 HD1 HIS 36 -6.809 -13.136 -16.542 303 HD2 HIS 36 HD2 HIS 36 -2.958 -12.425 -17.972 304 HE1 HIS 36 HE1 HIS 36 -5.750 -15.408 -16.911 305 H GLU 37 H GLU 37 -8.007 -10.941 -18.418 306 HA GLU 37 HA GLU 37 -9.048 -8.181 -18.807 307 1HB GLU 37 2HB GLU 37 -11.148 -9.226 -19.400 308 2HB GLU 37 1HB GLU 37 -9.867 -10.070 -20.271 309 1HG GLU 37 2HG GLU 37 -9.821 -11.716 -18.309 310 2HG GLU 37 1HG GLU 37 -11.338 -10.980 -17.793 311 H GLY 38 H GLY 38 -10.634 -7.333 -17.326 312 1HA GLY 38 2HA GLY 38 -11.455 -8.809 -14.973 313 2HA GLY 38 1HA GLY 38 -10.144 -7.690 -14.598 314 H ILE 39 H ILE 39 -12.367 -7.090 -13.294 315 HA ILE 39 HA ILE 39 -13.927 -5.148 -14.919 316 HB ILE 39 HB ILE 39 -14.292 -6.186 -12.088 317 1HG1 ILE 39 2HG1 ILE 39 -16.353 -6.559 -14.183 318 2HG1 ILE 39 1HG1 ILE 39 -14.850 -7.446 -14.443 319 1HG2 ILE 39 1HG2 ILE 39 -16.307 -4.550 -13.611 320 2HG2 ILE 39 2HG2 ILE 39 -15.046 -3.750 -12.672 321 3HG2 ILE 39 3HG2 ILE 39 -16.191 -4.827 -11.873 322 1HD1 ILE 39 1HD1 ILE 39 -16.410 -7.494 -11.846 323 2HD1 ILE 39 2HD1 ILE 39 -15.020 -8.495 -12.266 324 3HD1 ILE 39 3HD1 ILE 39 -16.555 -8.721 -13.105 325 H VAL 40 H VAL 40 -14.000 -2.906 -14.295 326 HA VAL 40 HA VAL 40 -11.548 -2.075 -12.831 327 HB VAL 40 HB VAL 40 -13.481 -0.381 -14.438 328 1HG1 VAL 40 1HG1 VAL 40 -12.240 1.123 -13.170 329 2HG1 VAL 40 2HG1 VAL 40 -11.196 0.945 -14.580 330 3HG1 VAL 40 3HG1 VAL 40 -10.834 0.061 -13.097 331 1HG2 VAL 40 1HG2 VAL 40 -12.614 -1.868 -16.036 332 2HG2 VAL 40 2HG2 VAL 40 -11.066 -2.010 -15.203 333 3HG2 VAL 40 3HG2 VAL 40 -11.456 -0.538 -16.093 334 H TYR 41 H TYR 41 -11.768 -0.111 -11.409 335 HA TYR 41 HA TYR 41 -14.419 0.267 -10.164 336 1HB TYR 41 2HB TYR 41 -13.032 -1.696 -9.059 337 2HB TYR 41 1HB TYR 41 -12.144 -0.367 -8.312 338 HD1 TYR 41 HD1 TYR 41 -13.176 1.074 -6.661 339 HD2 TYR 41 HD2 TYR 41 -15.455 -1.984 -8.643 340 HE1 TYR 41 HE1 TYR 41 -15.011 1.376 -5.018 341 HE2 TYR 41 HE2 TYR 41 -17.289 -1.682 -7.000 342 HH TYR 41 HH TYR 41 -17.351 0.970 -4.783 343 H PHE 42 H PHE 42 -14.595 2.336 -9.285 344 HA PHE 42 HA PHE 42 -12.214 4.079 -9.663 345 1HB PHE 42 2HB PHE 42 -14.833 4.439 -10.402 346 2HB PHE 42 1HB PHE 42 -14.765 5.335 -8.884 347 HD1 PHE 42 HD1 PHE 42 -14.453 7.613 -9.271 348 HD2 PHE 42 HD2 PHE 42 -12.312 4.763 -11.673 349 HE1 PHE 42 HE1 PHE 42 -13.267 9.467 -10.417 350 HE2 PHE 42 HE2 PHE 42 -11.127 6.618 -12.819 351 HZ PHE 42 HZ PHE 42 -11.605 8.970 -12.190 352 H LYS 43 H LYS 43 -10.989 4.141 -7.824 353 HA LYS 43 HA LYS 43 -12.335 4.100 -5.183 354 1HB LYS 43 2HB LYS 43 -9.690 3.390 -6.218 355 2HB LYS 43 1HB LYS 43 -9.603 4.353 -4.743 356 1HG LYS 43 2HG LYS 43 -11.606 2.615 -4.102 357 2HG LYS 43 1HG LYS 43 -10.605 1.600 -5.140 358 1HD LYS 43 2HD LYS 43 -9.730 3.096 -2.654 359 2HD LYS 43 1HD LYS 43 -9.796 1.348 -2.879 360 1HE LYS 43 2HE LYS 43 -8.212 2.600 -4.965 361 2HE LYS 43 1HE LYS 43 -7.592 3.011 -3.366 362 1HZ LYS 43 1HZ LYS 43 -7.260 0.798 -2.835 363 2HZ LYS 43 2HZ LYS 43 -6.795 0.860 -4.467 364 3HZ LYS 43 3HZ LYS 43 -8.314 0.232 -4.037 365 H ASP 44 H ASP 44 -11.325 5.704 -3.532 366 HA ASP 44 HA ASP 44 -11.503 8.394 -4.735 367 1HB ASP 44 2HB ASP 44 -11.072 7.816 -1.807 368 2HB ASP 44 1HB ASP 44 -11.888 9.192 -2.550 369 H GLY 45 H GLY 45 -9.071 6.301 -4.537 370 1HA GLY 45 2HA GLY 45 -7.068 8.466 -4.085 371 2HA GLY 45 1HA GLY 45 -6.840 6.890 -3.324 372 H ILE 46 H ILE 46 -7.877 5.364 -5.587 373 HA ILE 46 HA ILE 46 -6.202 6.047 -7.893 374 HB ILE 46 HB ILE 46 -4.884 3.931 -7.760 375 1HG1 ILE 46 2HG1 ILE 46 -5.783 3.753 -4.883 376 2HG1 ILE 46 1HG1 ILE 46 -6.656 2.904 -6.160 377 1HG2 ILE 46 1HG2 ILE 46 -4.555 5.632 -5.274 378 2HG2 ILE 46 2HG2 ILE 46 -4.034 6.141 -6.881 379 3HG2 ILE 46 3HG2 ILE 46 -3.299 4.729 -6.122 380 1HD1 ILE 46 1HD1 ILE 46 -3.734 2.565 -6.288 381 2HD1 ILE 46 2HD1 ILE 46 -5.014 1.358 -6.416 382 3HD1 ILE 46 3HD1 ILE 46 -4.468 1.900 -4.829 383 H PHE 47 H PHE 47 -6.155 3.386 -8.978 384 HA PHE 47 HA PHE 47 -9.087 3.011 -9.393 385 1HB PHE 47 2HB PHE 47 -6.876 1.934 -11.150 386 2HB PHE 47 1HB PHE 47 -8.575 2.173 -11.561 387 HD1 PHE 47 HD1 PHE 47 -5.330 3.830 -11.001 388 HD2 PHE 47 HD2 PHE 47 -9.456 4.392 -12.064 389 HE1 PHE 47 HE1 PHE 47 -4.815 6.127 -11.783 390 HE2 PHE 47 HE2 PHE 47 -8.941 6.690 -12.847 391 HZ PHE 47 HZ PHE 47 -6.621 7.558 -12.706 392 H LYS 48 H LYS 48 -9.861 0.774 -9.576 393 HA LYS 48 HA LYS 48 -8.096 -1.206 -8.203 394 1HB LYS 48 2HB LYS 48 -10.398 -0.024 -7.113 395 2HB LYS 48 1HB LYS 48 -10.914 -1.627 -7.641 396 1HG LYS 48 2HG LYS 48 -8.435 -2.096 -6.474 397 2HG LYS 48 1HG LYS 48 -9.165 -0.883 -5.422 398 1HD LYS 48 2HD LYS 48 -11.064 -2.956 -6.236 399 2HD LYS 48 1HD LYS 48 -9.689 -3.606 -5.343 400 1HE LYS 48 2HE LYS 48 -10.322 -2.606 -3.402 401 2HE LYS 48 1HE LYS 48 -10.799 -1.117 -4.216 402 1HZ LYS 48 1HZ LYS 48 -12.357 -3.594 -3.838 403 2HZ LYS 48 2HZ LYS 48 -12.745 -2.505 -5.082 404 3HZ LYS 48 3HZ LYS 48 -12.790 -1.998 -3.462 405 H VAL 49 H VAL 49 -8.467 -3.403 -8.830 406 HA VAL 49 HA VAL 49 -10.293 -3.784 -11.161 407 HB VAL 49 HB VAL 49 -7.437 -4.789 -10.954 408 1HG1 VAL 49 1HG1 VAL 49 -9.551 -5.087 -13.108 409 2HG1 VAL 49 2HG1 VAL 49 -8.878 -6.380 -12.115 410 3HG1 VAL 49 3HG1 VAL 49 -7.860 -5.554 -13.294 411 1HG2 VAL 49 1HG2 VAL 49 -6.851 -2.852 -11.945 412 2HG2 VAL 49 2HG2 VAL 49 -8.526 -2.306 -11.879 413 3HG2 VAL 49 3HG2 VAL 49 -7.949 -3.210 -13.278 414 H ARG 50 H ARG 50 -11.668 -5.424 -10.674 415 HA ARG 50 HA ARG 50 -10.837 -7.402 -8.611 416 1HB ARG 50 2HB ARG 50 -13.127 -6.019 -8.727 417 2HB ARG 50 1HB ARG 50 -13.597 -7.376 -9.750 418 1HG ARG 50 2HG ARG 50 -13.195 -8.959 -8.021 419 2HG ARG 50 1HG ARG 50 -12.304 -7.785 -7.051 420 1HD ARG 50 2HD ARG 50 -14.650 -8.207 -6.235 421 2HD ARG 50 1HD ARG 50 -14.318 -6.517 -6.615 422 HE ARG 50 HE ARG 50 -15.494 -8.066 -8.818 423 1HH1 ARG 50 2HH1 ARG 50 -17.444 -8.056 -6.522 424 2HH1 ARG 50 1HH1 ARG 50 -18.345 -6.610 -6.829 425 1HH2 ARG 50 1HH2 ARG 50 -16.010 -5.308 -9.037 426 2HH2 ARG 50 2HH2 ARG 50 -17.532 -5.052 -8.250 427 H LEU 51 H LEU 51 -10.280 -9.439 -9.239 428 HA LEU 51 HA LEU 51 -10.658 -10.167 -12.085 429 1HB LEU 51 2HB LEU 51 -8.626 -10.628 -10.190 430 2HB LEU 51 1HB LEU 51 -9.367 -12.202 -10.480 431 HG LEU 51 HG LEU 51 -7.603 -11.893 -12.110 432 1HD1 LEU 51 1HD1 LEU 51 -8.825 -12.561 -13.934 433 2HD1 LEU 51 2HD1 LEU 51 -9.948 -11.207 -13.807 434 3HD1 LEU 51 3HD1 LEU 51 -10.127 -12.604 -12.746 435 1HD2 LEU 51 1HD2 LEU 51 -8.294 -9.191 -11.902 436 2HD2 LEU 51 2HD2 LEU 51 -8.753 -9.631 -13.547 437 3HD2 LEU 51 3HD2 LEU 51 -7.096 -9.877 -12.999 438 H LEU 52 H LEU 52 -13.057 -10.394 -11.682 439 HA LEU 52 HA LEU 52 -14.166 -12.338 -9.937 440 1HB LEU 52 2HB LEU 52 -15.180 -10.557 -11.770 441 2HB LEU 52 1HB LEU 52 -15.501 -12.103 -12.555 442 HG LEU 52 HG LEU 52 -16.137 -12.418 -9.802 443 1HD1 LEU 52 1HD1 LEU 52 -18.079 -10.434 -10.527 444 2HD1 LEU 52 2HD1 LEU 52 -16.472 -9.714 -10.634 445 3HD1 LEU 52 3HD1 LEU 52 -17.007 -10.456 -9.127 446 1HD2 LEU 52 1HD2 LEU 52 -18.406 -12.804 -10.728 447 2HD2 LEU 52 2HD2 LEU 52 -17.171 -13.612 -11.693 448 3HD2 LEU 52 3HD2 LEU 52 -17.889 -12.104 -12.262 449 H GLY 53 H GLY 53 -13.959 -14.522 -9.954 450 1HA GLY 53 2HA GLY 53 -14.337 -16.511 -11.574 451 2HA GLY 53 1HA GLY 53 -12.985 -15.812 -12.466 452 H TYR 54 H TYR 54 -11.382 -15.025 -10.269 453 HA TYR 54 HA TYR 54 -10.275 -17.642 -9.528 454 1HB TYR 54 2HB TYR 54 -8.820 -15.728 -10.209 455 2HB TYR 54 1HB TYR 54 -9.339 -14.862 -8.763 456 HD1 TYR 54 HD1 TYR 54 -8.619 -15.558 -6.540 457 HD2 TYR 54 HD2 TYR 54 -7.394 -17.716 -10.047 458 HE1 TYR 54 HE1 TYR 54 -6.898 -16.747 -5.206 459 HE2 TYR 54 HE2 TYR 54 -5.672 -18.906 -8.715 460 HH TYR 54 HH TYR 54 -4.592 -18.965 -6.744 461 H GLU 55 H GLU 55 -12.332 -15.254 -8.122 462 HA GLU 55 HA GLU 55 -13.385 -15.168 -6.028 463 1HB GLU 55 2HB GLU 55 -13.928 -17.509 -6.387 464 2HB GLU 55 1HB GLU 55 -12.309 -18.001 -5.892 465 1HG GLU 55 2HG GLU 55 -14.029 -18.270 -4.084 466 2HG GLU 55 1HG GLU 55 -12.696 -17.207 -3.632 467 H GLY 56 H GLY 56 -11.923 -13.547 -5.247 468 1HA GLY 56 2HA GLY 56 -10.788 -13.069 -3.109 469 2HA GLY 56 1HA GLY 56 -9.951 -14.613 -3.273 470 H HIS 57 H HIS 57 -10.340 -12.561 -6.069 471 HA HIS 57 HA HIS 57 -7.399 -12.041 -5.970 472 1HB HIS 57 2HB HIS 57 -8.770 -13.298 -7.941 473 2HB HIS 57 1HB HIS 57 -8.871 -11.632 -8.512 474 HD1 HIS 57 HD1 HIS 57 -7.184 -13.034 -10.356 475 HD2 HIS 57 HD2 HIS 57 -5.606 -11.803 -6.699 476 HE1 HIS 57 HE1 HIS 57 -4.667 -12.987 -10.641 477 H GLU 58 H GLU 58 -7.473 -10.090 -4.795 478 HA GLU 58 HA GLU 58 -9.042 -7.866 -6.014 479 1HB GLU 58 2HB GLU 58 -8.901 -8.599 -3.404 480 2HB GLU 58 1HB GLU 58 -7.577 -7.436 -3.468 481 1HG GLU 58 2HG GLU 58 -9.581 -6.174 -4.908 482 2HG GLU 58 1HG GLU 58 -10.465 -6.973 -3.606 483 H CYS 59 H CYS 59 -7.873 -6.670 -7.436 484 HA CYS 59 HA CYS 59 -4.957 -6.304 -6.873 485 1HB CYS 59 2HB CYS 59 -6.195 -5.926 -9.592 486 2HB CYS 59 1HB CYS 59 -4.521 -6.296 -9.181 487 HG CYS 59 HG CYS 59 -5.177 -8.654 -9.580 488 H ILE 60 H ILE 60 -4.097 -4.174 -7.635 489 HA ILE 60 HA ILE 60 -6.182 -2.030 -7.564 490 HB ILE 60 HB ILE 60 -4.530 -0.666 -6.237 491 1HG1 ILE 60 2HG1 ILE 60 -3.142 -3.347 -5.921 492 2HG1 ILE 60 1HG1 ILE 60 -2.532 -2.013 -6.901 493 1HG2 ILE 60 1HG2 ILE 60 -5.716 -1.344 -4.449 494 2HG2 ILE 60 2HG2 ILE 60 -4.818 -2.860 -4.388 495 3HG2 ILE 60 3HG2 ILE 60 -6.266 -2.734 -5.385 496 1HD1 ILE 60 1HD1 ILE 60 -2.873 -2.128 -3.905 497 2HD1 ILE 60 2HD1 ILE 60 -2.722 -0.592 -4.757 498 3HD1 ILE 60 3HD1 ILE 60 -1.412 -1.773 -4.828 499 H LEU 61 H LEU 61 -5.998 -0.703 -9.322 500 HA LEU 61 HA LEU 61 -3.491 -0.869 -10.907 501 1HB LEU 61 2HB LEU 61 -5.536 -1.261 -12.171 502 2HB LEU 61 1HB LEU 61 -6.222 0.256 -11.592 503 HG LEU 61 HG LEU 61 -3.995 1.270 -12.630 504 1HD1 LEU 61 1HD1 LEU 61 -3.232 -1.112 -13.193 505 2HD1 LEU 61 2HD1 LEU 61 -3.142 0.070 -14.498 506 3HD1 LEU 61 3HD1 LEU 61 -4.465 -1.094 -14.452 507 1HD2 LEU 61 1HD2 LEU 61 -6.664 0.650 -13.724 508 2HD2 LEU 61 2HD2 LEU 61 -5.444 1.000 -14.949 509 3HD2 LEU 61 3HD2 LEU 61 -5.792 2.183 -13.688 510 H LEU 62 H LEU 62 -2.035 0.704 -10.697 511 HA LEU 62 HA LEU 62 -2.942 3.493 -10.274 512 1HB LEU 62 2HB LEU 62 -1.244 3.794 -8.445 513 2HB LEU 62 1HB LEU 62 -2.581 2.736 -7.997 514 HG LEU 62 HG LEU 62 -0.708 1.024 -9.169 515 1HD1 LEU 62 1HD1 LEU 62 1.184 2.350 -9.077 516 2HD1 LEU 62 2HD1 LEU 62 1.225 1.674 -7.448 517 3HD1 LEU 62 3HD1 LEU 62 0.582 3.295 -7.715 518 1HD2 LEU 62 1HD2 LEU 62 -0.714 -0.007 -7.052 519 2HD2 LEU 62 2HD2 LEU 62 -2.239 0.880 -7.061 520 3HD2 LEU 62 3HD2 LEU 62 -0.844 1.532 -6.202 521 H ASP 63 H ASP 63 -0.322 1.214 -10.983 522 HA ASP 63 HA ASP 63 1.706 3.024 -11.714 523 1HB ASP 63 2HB ASP 63 1.005 0.232 -12.404 524 2HB ASP 63 1HB ASP 63 2.015 1.064 -13.587 525 H TYR 64 H TYR 64 -1.235 2.092 -13.405 526 HA TYR 64 HA TYR 64 -0.800 2.858 -16.021 527 1HB TYR 64 2HB TYR 64 -3.006 2.173 -15.418 528 2HB TYR 64 1HB TYR 64 -3.157 3.458 -14.218 529 HD1 TYR 64 HD1 TYR 64 -1.939 3.515 -17.764 530 HD2 TYR 64 HD2 TYR 64 -4.859 4.903 -14.933 531 HE1 TYR 64 HE1 TYR 64 -2.899 5.017 -19.490 532 HE2 TYR 64 HE2 TYR 64 -5.819 6.404 -16.658 533 HH TYR 64 HH TYR 64 -4.458 6.519 -19.957 534 H LEU 65 H LEU 65 -1.569 5.123 -13.351 535 HA LEU 65 HA LEU 65 -1.382 7.523 -14.826 536 1HB LEU 65 2HB LEU 65 -1.645 6.824 -12.123 537 2HB LEU 65 1HB LEU 65 -0.169 7.787 -12.194 538 HG LEU 65 HG LEU 65 -2.697 8.684 -13.576 539 1HD1 LEU 65 1HD1 LEU 65 -2.005 9.909 -10.972 540 2HD1 LEU 65 2HD1 LEU 65 -2.624 8.260 -10.879 541 3HD1 LEU 65 3HD1 LEU 65 -3.587 9.519 -11.649 542 1HD2 LEU 65 1HD2 LEU 65 -1.107 10.150 -14.308 543 2HD2 LEU 65 2HD2 LEU 65 0.000 9.757 -12.993 544 3HD2 LEU 65 3HD2 LEU 65 -1.325 10.889 -12.723 545 H ASN 66 H ASN 66 1.213 6.458 -12.616 546 HA ASN 66 HA ASN 66 3.528 6.904 -12.761 547 1HB ASN 66 2HB ASN 66 2.628 5.246 -14.955 548 2HB ASN 66 1HB ASN 66 4.013 6.219 -15.454 549 1HD2 ASN 66 1HD2 ASN 66 5.341 6.385 -12.896 550 2HD2 ASN 66 2HD2 ASN 66 5.890 4.831 -12.490 551 H TYR 67 H TYR 67 2.040 9.255 -13.182 552 HA TYR 67 HA TYR 67 3.970 10.886 -14.548 553 1HB TYR 67 2HB TYR 67 1.984 9.702 -16.220 554 2HB TYR 67 1HB TYR 67 1.622 11.424 -16.093 555 HD1 TYR 67 HD1 TYR 67 3.576 13.082 -16.435 556 HD2 TYR 67 HD2 TYR 67 3.722 8.954 -17.627 557 HE1 TYR 67 HE1 TYR 67 5.443 13.596 -17.987 558 HE2 TYR 67 HE2 TYR 67 5.589 9.468 -19.177 559 HH TYR 67 HH TYR 67 7.500 11.751 -19.063 560 H ARG 68 H ARG 68 3.393 11.514 -12.188 561 HA ARG 68 HA ARG 68 0.945 12.731 -11.480 562 1HB ARG 68 2HB ARG 68 3.258 12.300 -10.164 563 2HB ARG 68 1HB ARG 68 3.444 14.020 -10.504 564 1HG ARG 68 2HG ARG 68 0.762 13.252 -9.546 565 2HG ARG 68 1HG ARG 68 2.055 13.017 -8.369 566 1HD ARG 68 2HD ARG 68 2.781 15.436 -9.198 567 2HD ARG 68 1HD ARG 68 1.072 15.548 -9.622 568 HE ARG 68 HE ARG 68 1.003 14.612 -7.034 569 1HH1 ARG 68 2HH1 ARG 68 0.666 17.529 -8.292 570 2HH1 ARG 68 1HH1 ARG 68 1.504 18.433 -7.075 571 1HH2 ARG 68 1HH2 ARG 68 2.923 15.635 -5.598 572 2HH2 ARG 68 2HH2 ARG 68 2.780 17.360 -5.549 573 H GLN 69 H GLN 69 -0.026 14.230 -12.791 574 HA GLN 69 HA GLN 69 1.170 16.841 -13.101 575 1HB GLN 69 2HB GLN 69 1.712 14.899 -15.159 576 2HB GLN 69 1HB GLN 69 0.689 16.179 -15.817 577 1HG GLN 69 2HG GLN 69 2.322 17.757 -15.626 578 2HG GLN 69 1HG GLN 69 2.887 17.122 -14.081 579 1HE2 GLN 69 1HE2 GLN 69 5.135 16.965 -14.620 580 2HE2 GLN 69 2HE2 GLN 69 5.722 15.925 -15.827 581 H ASP 70 H ASP 70 -0.934 15.229 -15.465 582 HA ASP 70 HA ASP 70 -3.342 16.369 -14.204 583 1HB ASP 70 2HB ASP 70 -1.998 17.964 -15.995 584 2HB ASP 70 1HB ASP 70 -3.147 17.131 -17.043 585 H THR 71 H THR 71 -5.322 15.766 -15.562 586 HA THR 71 HA THR 71 -5.262 13.889 -17.668 587 HB THR 71 HB THR 71 -4.088 12.376 -16.168 588 HG1 THR 71 HG1 THR 71 -5.670 11.421 -17.449 589 1HG2 THR 71 1HG2 THR 71 -5.637 11.668 -14.097 590 2HG2 THR 71 2HG2 THR 71 -6.160 13.345 -14.260 591 3HG2 THR 71 3HG2 THR 71 -4.459 12.976 -13.980 592 H LEU 72 H LEU 72 -7.360 13.613 -18.379 593 HA LEU 72 HA LEU 72 -9.495 14.702 -16.614 594 1HB LEU 72 2HB LEU 72 -9.892 14.018 -19.513 595 2HB LEU 72 1HB LEU 72 -10.678 15.267 -18.548 596 HG LEU 72 HG LEU 72 -7.724 15.334 -19.196 597 1HD1 LEU 72 1HD1 LEU 72 -10.101 16.392 -20.729 598 2HD1 LEU 72 2HD1 LEU 72 -8.734 15.456 -21.335 599 3HD1 LEU 72 3HD1 LEU 72 -8.509 17.141 -20.865 600 1HD2 LEU 72 1HD2 LEU 72 -9.212 16.730 -17.355 601 2HD2 LEU 72 2HD2 LEU 72 -9.284 17.799 -18.755 602 3HD2 LEU 72 3HD2 LEU 72 -7.722 17.323 -18.088 603 H ASP 73 H ASP 73 -8.224 11.740 -17.503 604 HA ASP 73 HA ASP 73 -9.099 9.551 -17.539 605 1HB ASP 73 2HB ASP 73 -10.527 11.012 -15.340 606 2HB ASP 73 1HB ASP 73 -11.029 9.368 -15.739 607 H ARG 74 H ARG 74 -10.066 10.948 -19.693 608 HA ARG 74 HA ARG 74 -12.939 11.071 -19.828 609 1HB ARG 74 2HB ARG 74 -10.683 11.181 -21.776 610 2HB ARG 74 1HB ARG 74 -12.281 10.789 -22.414 611 1HG ARG 74 2HG ARG 74 -12.706 12.911 -20.621 612 2HG ARG 74 1HG ARG 74 -11.252 13.348 -21.519 613 1HD ARG 74 2HD ARG 74 -12.374 13.546 -23.500 614 2HD ARG 74 1HD ARG 74 -13.463 12.207 -23.133 615 HE ARG 74 HE ARG 74 -14.518 13.957 -21.477 616 1HH1 ARG 74 2HH1 ARG 74 -15.119 13.912 -24.559 617 2HH1 ARG 74 1HH1 ARG 74 -15.156 15.616 -24.867 618 1HH2 ARG 74 1HH2 ARG 74 -13.666 16.463 -21.853 619 2HH2 ARG 74 2HH2 ARG 74 -14.333 17.060 -23.335 620 H LEU 75 H LEU 75 -10.586 8.511 -20.399 621 HA LEU 75 HA LEU 75 -12.408 6.712 -21.731 622 1HB LEU 75 2HB LEU 75 -9.720 6.501 -20.456 623 2HB LEU 75 1HB LEU 75 -10.635 5.007 -20.663 624 HG LEU 75 HG LEU 75 -10.940 6.418 -23.082 625 1HD1 LEU 75 1HD1 LEU 75 -9.124 7.811 -23.035 626 2HD1 LEU 75 2HD1 LEU 75 -8.258 6.341 -23.488 627 3HD1 LEU 75 3HD1 LEU 75 -8.297 6.858 -21.802 628 1HD2 LEU 75 1HD2 LEU 75 -10.783 3.964 -22.770 629 2HD2 LEU 75 2HD2 LEU 75 -9.073 4.131 -22.372 630 3HD2 LEU 75 3HD2 LEU 75 -9.644 4.528 -23.993 631 H LYS 76 H LYS 76 -11.359 7.029 -18.330 632 HA LYS 76 HA LYS 76 -12.984 4.862 -17.363 633 1HB LYS 76 2HB LYS 76 -11.435 7.097 -16.180 634 2HB LYS 76 1HB LYS 76 -12.770 6.495 -15.195 635 1HG LYS 76 2HG LYS 76 -11.080 5.052 -14.527 636 2HG LYS 76 1HG LYS 76 -11.769 4.135 -15.868 637 1HD LYS 76 2HD LYS 76 -9.766 6.067 -16.759 638 2HD LYS 76 1HD LYS 76 -9.105 4.891 -15.622 639 1HE LYS 76 2HE LYS 76 -10.713 3.354 -17.293 640 2HE LYS 76 1HE LYS 76 -9.963 4.512 -18.390 641 1HZ LYS 76 1HZ LYS 76 -8.486 2.871 -16.405 642 2HZ LYS 76 2HZ LYS 76 -7.809 3.901 -17.574 643 3HZ LYS 76 3HZ LYS 76 -8.627 2.491 -18.052 644 H GLU 77 H GLU 77 -13.626 8.240 -18.055 645 HA GLU 77 HA GLU 77 -16.099 8.429 -16.590 646 1HB GLU 77 2HB GLU 77 -14.908 10.437 -17.346 647 2HB GLU 77 1HB GLU 77 -15.141 9.959 -19.030 648 1HG GLU 77 2HG GLU 77 -16.821 11.636 -18.339 649 2HG GLU 77 1HG GLU 77 -17.584 10.096 -18.738 650 H ARG 78 H ARG 78 -15.249 7.272 -19.809 651 HA ARG 78 HA ARG 78 -17.726 7.228 -21.087 652 1HB ARG 78 2HB ARG 78 -15.264 6.080 -21.570 653 2HB ARG 78 1HB ARG 78 -16.298 4.671 -21.326 654 1HG ARG 78 2HG ARG 78 -16.468 5.163 -23.648 655 2HG ARG 78 1HG ARG 78 -17.948 5.804 -22.934 656 1HD ARG 78 2HD ARG 78 -17.411 7.922 -23.501 657 2HD ARG 78 1HD ARG 78 -15.778 7.750 -22.856 658 HE ARG 78 HE ARG 78 -16.308 6.493 -25.482 659 1HH1 ARG 78 2HH1 ARG 78 -16.348 9.611 -25.300 660 2HH1 ARG 78 1HH1 ARG 78 -14.727 9.956 -25.805 661 1HH2 ARG 78 1HH2 ARG 78 -13.627 6.692 -25.409 662 2HH2 ARG 78 2HH2 ARG 78 -13.187 8.303 -25.865 663 H LEU 79 H LEU 79 -16.454 4.608 -18.989 664 HA LEU 79 HA LEU 79 -19.013 4.230 -17.703 665 1HB LEU 79 2HB LEU 79 -18.443 2.732 -20.166 666 2HB LEU 79 1HB LEU 79 -18.863 1.702 -18.797 667 HG LEU 79 HG LEU 79 -20.539 4.120 -19.122 668 1HD1 LEU 79 1HD1 LEU 79 -21.871 3.127 -20.936 669 2HD1 LEU 79 2HD1 LEU 79 -20.728 1.788 -21.053 670 3HD1 LEU 79 3HD1 LEU 79 -20.219 3.423 -21.477 671 1HD2 LEU 79 1HD2 LEU 79 -21.727 1.424 -18.998 672 2HD2 LEU 79 2HD2 LEU 79 -22.022 2.830 -17.975 673 3HD2 LEU 79 3HD2 LEU 79 -20.632 1.789 -17.665 674 H VAL 80 H VAL 80 -16.808 4.598 -16.357 675 HA VAL 80 HA VAL 80 -14.920 2.628 -15.886 676 HB VAL 80 HB VAL 80 -14.706 4.550 -14.555 677 1HG1 VAL 80 1HG1 VAL 80 -16.656 5.699 -14.340 678 2HG1 VAL 80 2HG1 VAL 80 -16.816 4.813 -12.823 679 3HG1 VAL 80 3HG1 VAL 80 -17.621 4.223 -14.277 680 1HG2 VAL 80 1HG2 VAL 80 -14.822 3.786 -12.211 681 2HG2 VAL 80 2HG2 VAL 80 -14.177 2.521 -13.254 682 3HG2 VAL 80 3HG2 VAL 80 -15.848 2.440 -12.700 683 H GLY 81 H GLY 81 -14.883 0.992 -14.071 684 1HA GLY 81 2HA GLY 81 -15.911 -0.742 -12.804 685 2HA GLY 81 1HA GLY 81 -17.487 -0.149 -13.319 686 H ARG 82 H ARG 82 -17.134 -0.168 -16.098 687 HA ARG 82 HA ARG 82 -17.904 -2.706 -16.888 688 1HB ARG 82 2HB ARG 82 -16.903 -0.322 -18.210 689 2HB ARG 82 1HB ARG 82 -16.384 -1.785 -19.050 690 1HG ARG 82 2HG ARG 82 -18.606 -2.526 -19.378 691 2HG ARG 82 1HG ARG 82 -19.244 -1.423 -18.158 692 1HD ARG 82 2HD ARG 82 -19.740 -0.062 -19.900 693 2HD ARG 82 1HD ARG 82 -18.014 0.300 -19.929 694 HE ARG 82 HE ARG 82 -17.964 -0.799 -22.002 695 1HH1 ARG 82 2HH1 ARG 82 -21.061 -0.889 -21.838 696 2HH1 ARG 82 1HH1 ARG 82 -21.336 -2.563 -22.186 697 1HH2 ARG 82 1HH2 ARG 82 -18.040 -3.491 -21.649 698 2HH2 ARG 82 2HH2 ARG 82 -19.626 -4.035 -22.080 699 H VAL 83 H VAL 83 -16.507 -4.056 -18.560 700 HA VAL 83 HA VAL 83 -14.117 -4.934 -17.031 701 HB VAL 83 HB VAL 83 -14.252 -6.977 -18.371 702 1HG1 VAL 83 1HG1 VAL 83 -16.818 -5.944 -17.162 703 2HG1 VAL 83 2HG1 VAL 83 -15.663 -7.086 -16.475 704 3HG1 VAL 83 3HG1 VAL 83 -16.704 -7.581 -17.810 705 1HG2 VAL 83 1HG2 VAL 83 -15.529 -7.196 -20.279 706 2HG2 VAL 83 2HG2 VAL 83 -15.233 -5.459 -20.357 707 3HG2 VAL 83 3HG2 VAL 83 -16.758 -6.065 -19.712 708 H ILE 84 H ILE 84 -12.071 -5.060 -18.003 709 HA ILE 84 HA ILE 84 -11.713 -4.208 -20.792 710 HB ILE 84 HB ILE 84 -10.158 -2.333 -20.034 711 1HG1 ILE 84 2HG1 ILE 84 -11.080 -1.483 -17.681 712 2HG1 ILE 84 1HG1 ILE 84 -11.373 -3.205 -17.440 713 1HG2 ILE 84 1HG2 ILE 84 -11.998 -0.742 -19.723 714 2HG2 ILE 84 2HG2 ILE 84 -13.091 -2.060 -19.307 715 3HG2 ILE 84 3HG2 ILE 84 -12.442 -1.936 -20.942 716 1HD1 ILE 84 1HD1 ILE 84 -8.849 -3.245 -18.483 717 2HD1 ILE 84 2HD1 ILE 84 -9.205 -3.242 -16.756 718 3HD1 ILE 84 3HD1 ILE 84 -8.819 -1.731 -17.578 719 H LYS 85 H LYS 85 -9.199 -4.023 -21.172 720 HA LYS 85 HA LYS 85 -7.976 -6.363 -19.792 721 1HB LYS 85 2HB LYS 85 -6.436 -6.435 -21.707 722 2HB LYS 85 1HB LYS 85 -8.107 -6.442 -22.269 723 1HG LYS 85 2HG LYS 85 -8.018 -4.182 -22.944 724 2HG LYS 85 1HG LYS 85 -6.577 -3.860 -21.978 725 1HD LYS 85 2HD LYS 85 -5.158 -4.906 -23.497 726 2HD LYS 85 1HD LYS 85 -6.442 -5.921 -24.153 727 1HE LYS 85 2HE LYS 85 -6.407 -2.917 -24.502 728 2HE LYS 85 1HE LYS 85 -5.661 -4.016 -25.662 729 1HZ LYS 85 1HZ LYS 85 -8.066 -3.317 -26.057 730 2HZ LYS 85 2HZ LYS 85 -8.459 -4.379 -24.791 731 3HZ LYS 85 3HZ LYS 85 -7.697 -4.967 -26.191 732 H THR 86 H THR 86 -5.971 -6.152 -18.749 733 HA THR 86 HA THR 86 -4.637 -3.508 -18.806 734 HB THR 86 HB THR 86 -5.014 -4.647 -16.090 735 HG1 THR 86 HG1 THR 86 -7.078 -3.429 -17.599 736 1HG2 THR 86 1HG2 THR 86 -5.458 -2.107 -15.747 737 2HG2 THR 86 2HG2 THR 86 -4.876 -1.942 -17.404 738 3HG2 THR 86 3HG2 THR 86 -3.824 -2.623 -16.162 739 H ARG 87 H ARG 87 -2.582 -3.694 -17.304 740 HA ARG 87 HA ARG 87 -1.302 -6.295 -17.991 741 1HB ARG 87 2HB ARG 87 0.281 -3.993 -16.936 742 2HB ARG 87 1HB ARG 87 0.701 -5.163 -18.187 743 1HG ARG 87 2HG ARG 87 -1.303 -2.904 -18.483 744 2HG ARG 87 1HG ARG 87 0.320 -2.935 -19.170 745 1HD ARG 87 2HD ARG 87 -1.705 -5.096 -19.763 746 2HD ARG 87 1HD ARG 87 -1.596 -3.626 -20.732 747 HE ARG 87 HE ARG 87 0.623 -5.611 -20.453 748 1HH1 ARG 87 1HH2 ARG 87 -0.131 -2.543 -21.598 749 2HH1 ARG 87 2HH2 ARG 87 0.458 -2.807 -23.205 750 1HH2 ARG 87 2HH1 ARG 87 0.995 -6.200 -22.735 751 2HH2 ARG 87 1HH1 ARG 87 1.097 -4.878 -23.849 752 H VAL 88 H VAL 88 -0.007 -7.378 -16.366 753 HA VAL 88 HA VAL 88 -1.031 -6.882 -13.618 754 HB VAL 88 HB VAL 88 0.416 -9.231 -14.873 755 1HG1 VAL 88 1HG1 VAL 88 1.221 -9.224 -12.655 756 2HG1 VAL 88 2HG1 VAL 88 -0.189 -10.282 -12.577 757 3HG1 VAL 88 3HG1 VAL 88 -0.304 -8.616 -12.009 758 1HG2 VAL 88 1HG2 VAL 88 -1.889 -10.200 -13.860 759 2HG2 VAL 88 2HG2 VAL 88 -1.778 -9.541 -15.492 760 3HG2 VAL 88 3HG2 VAL 88 -2.398 -8.541 -14.176 761 H VAL 89 H VAL 89 0.254 -5.810 -12.208 762 HA VAL 89 HA VAL 89 3.030 -5.230 -12.937 763 HB VAL 89 HB VAL 89 1.301 -4.436 -10.584 764 1HG1 VAL 89 1HG1 VAL 89 3.220 -2.857 -10.077 765 2HG1 VAL 89 2HG1 VAL 89 4.200 -3.802 -11.198 766 3HG1 VAL 89 3HG1 VAL 89 3.555 -4.556 -9.739 767 1HG2 VAL 89 1HG2 VAL 89 2.546 -2.467 -12.422 768 2HG2 VAL 89 2HG2 VAL 89 0.920 -2.496 -11.738 769 3HG2 VAL 89 3HG2 VAL 89 1.306 -3.496 -13.139 770 H ARG 90 H ARG 90 1.337 -7.153 -10.470 771 HA ARG 90 HA ARG 90 3.356 -9.088 -10.206 772 1HB ARG 90 2HB ARG 90 4.274 -6.693 -9.150 773 2HB ARG 90 1HB ARG 90 3.680 -7.553 -7.730 774 1HG ARG 90 2HG ARG 90 4.970 -9.591 -8.807 775 2HG ARG 90 1HG ARG 90 5.876 -8.317 -9.624 776 1HD ARG 90 2HD ARG 90 7.109 -8.088 -7.754 777 2HD ARG 90 1HD ARG 90 5.664 -7.488 -6.941 778 HE ARG 90 HE ARG 90 5.528 -9.551 -5.814 779 1HH1 ARG 90 2HH1 ARG 90 8.363 -9.574 -7.520 780 2HH1 ARG 90 1HH1 ARG 90 8.459 -11.291 -7.726 781 1HH2 ARG 90 1HH2 ARG 90 5.244 -11.877 -6.563 782 2HH2 ARG 90 2HH2 ARG 90 6.694 -12.596 -7.183 783 H ALA 91 H ALA 91 1.798 -10.583 -9.730 784 HA ALA 91 HA ALA 91 -0.214 -9.988 -7.646 785 1HB ALA 91 1HB ALA 91 -1.194 -12.165 -8.318 786 2HB ALA 91 2HB ALA 91 0.161 -12.423 -9.418 787 3HB ALA 91 3HB ALA 91 -0.970 -11.101 -9.707 788 H ASP 92 H ASP 92 0.046 -10.662 -5.569 789 HA ASP 92 HA ASP 92 2.148 -12.723 -5.045 790 1HB ASP 92 2HB ASP 92 2.734 -10.508 -4.140 791 2HB ASP 92 1HB ASP 92 1.208 -10.462 -3.256 792 H GLY 93 H GLY 93 -0.906 -11.412 -3.753 793 1HA GLY 93 2HA GLY 93 -1.867 -14.152 -3.283 794 2HA GLY 93 1HA GLY 93 -1.634 -13.183 -1.827 795 H LEU 94 H LEU 94 -3.551 -12.360 -1.159 796 HA LEU 94 HA LEU 94 -5.836 -12.086 -2.885 797 1HB LEU 94 2HB LEU 94 -5.199 -11.625 -0.066 798 2HB LEU 94 1HB LEU 94 -6.328 -10.432 -0.711 799 HG LEU 94 HG LEU 94 -7.297 -12.774 -1.785 800 1HD1 LEU 94 1HD1 LEU 94 -6.336 -13.337 1.039 801 2HD1 LEU 94 2HD1 LEU 94 -5.729 -14.108 -0.427 802 3HD1 LEU 94 3HD1 LEU 94 -7.393 -14.382 0.090 803 1HD2 LEU 94 1HD2 LEU 94 -8.105 -10.765 0.020 804 2HD2 LEU 94 2HD2 LEU 94 -8.453 -12.293 0.830 805 3HD2 LEU 94 3HD2 LEU 94 -9.137 -11.963 -0.761 806 H TYR 95 H TYR 95 -3.268 -9.899 -1.899 807 HA TYR 95 HA TYR 95 -4.614 -7.683 -3.376 808 1HB TYR 95 2HB TYR 95 -2.687 -7.819 -1.120 809 2HB TYR 95 1HB TYR 95 -2.431 -6.512 -2.277 810 HD1 TYR 95 HD1 TYR 95 -4.722 -7.935 0.229 811 HD2 TYR 95 HD2 TYR 95 -4.115 -4.765 -2.609 812 HE1 TYR 95 HE1 TYR 95 -6.598 -6.667 1.245 813 HE2 TYR 95 HE2 TYR 95 -5.991 -3.497 -1.593 814 HH TYR 95 HH TYR 95 -7.794 -4.804 1.197 815 H VAL 96 H VAL 96 -3.744 -6.972 -5.296 816 HA VAL 96 HA VAL 96 -1.008 -7.930 -6.019 817 HB VAL 96 HB VAL 96 -3.541 -8.156 -7.661 818 1HG1 VAL 96 1HG1 VAL 96 -0.639 -8.381 -8.502 819 2HG1 VAL 96 2HG1 VAL 96 -1.855 -7.279 -9.146 820 3HG1 VAL 96 3HG1 VAL 96 -1.980 -9.011 -9.458 821 1HG2 VAL 96 1HG2 VAL 96 -3.359 -10.138 -6.465 822 2HG2 VAL 96 2HG2 VAL 96 -1.602 -10.038 -6.364 823 3HG2 VAL 96 3HG2 VAL 96 -2.372 -10.537 -7.870 824 H ASP 97 H ASP 97 -0.086 -6.676 -7.867 825 HA ASP 97 HA ASP 97 -0.969 -3.835 -7.712 826 1HB ASP 97 2HB ASP 97 1.605 -5.157 -8.609 827 2HB ASP 97 1HB ASP 97 1.276 -3.446 -8.880 828 H LEU 98 H LEU 98 -1.329 -2.639 -9.698 829 HA LEU 98 HA LEU 98 -1.547 -4.322 -12.149 830 1HB LEU 98 2HB LEU 98 -3.740 -3.551 -10.602 831 2HB LEU 98 1HB LEU 98 -3.717 -2.395 -11.930 832 HG LEU 98 HG LEU 98 -5.038 -4.506 -12.386 833 1HD1 LEU 98 1HD1 LEU 98 -4.485 -3.358 -14.333 834 2HD1 LEU 98 2HD1 LEU 98 -3.693 -4.909 -14.621 835 3HD1 LEU 98 3HD1 LEU 98 -2.751 -3.527 -14.062 836 1HD2 LEU 98 1HD2 LEU 98 -4.022 -6.577 -12.460 837 2HD2 LEU 98 2HD2 LEU 98 -3.006 -5.827 -11.230 838 3HD2 LEU 98 3HD2 LEU 98 -2.452 -5.905 -12.902 839 H ARG 99 H ARG 99 -0.909 -3.315 -13.976 840 HA ARG 99 HA ARG 99 -0.558 -0.345 -13.915 841 1HB ARG 99 2HB ARG 99 1.663 -1.193 -13.710 842 2HB ARG 99 1HB ARG 99 1.358 -2.485 -14.870 843 1HG ARG 99 2HG ARG 99 1.064 -0.775 -16.656 844 2HG ARG 99 1HG ARG 99 1.468 0.482 -15.486 845 1HD ARG 99 2HD ARG 99 3.509 0.010 -16.619 846 2HD ARG 99 1HD ARG 99 3.638 -0.820 -15.068 847 HE ARG 99 HE ARG 99 2.749 -2.297 -17.509 848 1HH1 ARG 99 1HH2 ARG 99 5.330 -1.560 -15.420 849 2HH1 ARG 99 2HH2 ARG 99 5.895 -3.192 -15.290 850 1HH2 ARG 99 2HH1 ARG 99 3.243 -4.535 -17.075 851 2HH2 ARG 99 1HH1 ARG 99 4.716 -4.875 -16.231 852 H ARG 100 H ARG 100 -1.680 0.586 -15.582 853 HA ARG 100 HA ARG 100 -2.588 -1.194 -17.791 854 1HB ARG 100 2HB ARG 100 -4.215 0.220 -16.382 855 2HB ARG 100 1HB ARG 100 -3.566 1.611 -17.251 856 1HG ARG 100 2HG ARG 100 -4.453 0.933 -19.283 857 2HG ARG 100 1HG ARG 100 -4.442 -0.773 -18.837 858 1HD ARG 100 2HD ARG 100 -6.488 -0.658 -17.833 859 2HD ARG 100 1HD ARG 100 -6.187 0.952 -17.181 860 HE ARG 100 HE ARG 100 -7.212 1.856 -19.105 861 1HH1 ARG 100 2HH1 ARG 100 -5.362 0.242 -20.964 862 2HH1 ARG 100 1HH1 ARG 100 -6.531 -0.635 -21.894 863 1HH2 ARG 100 1HH2 ARG 100 -9.143 0.003 -19.701 864 2HH2 ARG 100 2HH2 ARG 100 -8.672 -0.768 -21.179 865 H PHE 101 H PHE 101 -2.519 -0.345 -20.002 866 HA PHE 101 HA PHE 101 -1.288 2.008 -20.873 867 1HB PHE 101 2HB PHE 101 0.606 0.213 -19.664 868 2HB PHE 101 1HB PHE 101 0.953 0.342 -21.389 869 HD1 PHE 101 HD1 PHE 101 2.019 1.638 -18.469 870 HD2 PHE 101 HD2 PHE 101 0.256 3.019 -22.139 871 HE1 PHE 101 HE1 PHE 101 3.011 3.883 -18.103 872 HE2 PHE 101 HE2 PHE 101 1.249 5.263 -21.771 873 HZ PHE 101 HZ PHE 101 2.626 5.695 -19.754 874 H PHE 102 HN PHE 102 -1.694 2.072 -23.040 875 HA PHE 102 HA PHE 102 -2.660 -0.314 -24.391 876 1HB PHE 102 2HB PHE 102 -3.256 2.256 -24.736 877 2HB PHE 102 1HB PHE 102 -1.934 2.168 -25.900 878 HD1 PHE 102 HD1 PHE 102 -4.891 0.093 -24.857 879 HD2 PHE 102 HD2 PHE 102 -2.508 1.625 -28.089 880 HE1 PHE 102 HE1 PHE 102 -6.402 -1.004 -26.491 881 HE2 PHE 102 HE2 PHE 102 -4.019 0.528 -29.723 882 HZ PHE 102 HZ PHE 102 -5.966 -0.787 -28.924 Start of MODEL 6 1 1H MET 1 1H MET 1 4.880 -26.105 23.242 2 2H MET 1 2H MET 1 6.263 -25.949 24.217 3 3H MET 1 3H MET 1 6.299 -26.940 22.837 4 HA MET 1 HA MET 1 7.298 -24.520 22.814 5 1HB MET 1 2HB MET 1 5.712 -25.919 20.648 6 2HB MET 1 1HB MET 1 6.683 -24.479 20.340 7 1HG MET 1 2HG MET 1 7.906 -26.836 21.753 8 2HG MET 1 1HG MET 1 7.768 -26.837 19.995 9 1HE MET 1 1HE MET 1 8.730 -24.753 18.461 10 2HE MET 1 2HE MET 1 9.510 -26.317 18.679 11 3HE MET 1 3HE MET 1 10.480 -24.846 18.703 12 H THR 2 H THR 2 6.415 -22.569 21.376 13 HA THR 2 HA THR 2 3.573 -21.982 21.762 14 HB THR 2 HB THR 2 5.685 -20.466 23.327 15 HG1 THR 2 HG1 THR 2 4.057 -21.124 25.007 16 1HG2 THR 2 1HG2 THR 2 4.218 -18.757 23.616 17 2HG2 THR 2 2HG2 THR 2 2.830 -19.840 23.709 18 3HG2 THR 2 3HG2 THR 2 3.478 -19.369 22.137 19 H VAL 3 H VAL 3 3.429 -21.438 19.582 20 HA VAL 3 HA VAL 3 4.894 -18.967 18.790 21 HB VAL 3 HB VAL 3 4.568 -21.385 16.990 22 1HG1 VAL 3 1HG1 VAL 3 6.285 -20.033 15.648 23 2HG1 VAL 3 2HG1 VAL 3 5.878 -18.676 16.698 24 3HG1 VAL 3 3HG1 VAL 3 4.639 -19.399 15.673 25 1HG2 VAL 3 1HG2 VAL 3 6.924 -20.360 18.595 26 2HG2 VAL 3 2HG2 VAL 3 7.105 -21.460 17.229 27 3HG2 VAL 3 3HG2 VAL 3 6.198 -21.966 18.653 28 H ILE 4 H ILE 4 3.681 -17.594 17.468 29 HA ILE 4 HA ILE 4 0.818 -17.889 17.533 30 HB ILE 4 HB ILE 4 0.847 -15.874 16.041 31 1HG1 ILE 4 2HG1 ILE 4 3.829 -15.802 16.322 32 2HG1 ILE 4 1HG1 ILE 4 3.136 -16.795 15.041 33 1HG2 ILE 4 1HG2 ILE 4 2.920 -15.305 18.099 34 2HG2 ILE 4 2HG2 ILE 4 1.416 -16.030 18.672 35 3HG2 ILE 4 3HG2 ILE 4 1.381 -14.497 17.799 36 1HD1 ILE 4 1HD1 ILE 4 3.576 -14.026 14.957 37 2HD1 ILE 4 2HD1 ILE 4 1.834 -14.204 15.160 38 3HD1 ILE 4 3HD1 ILE 4 2.647 -14.980 13.801 39 H LYS 5 H LYS 5 -0.563 -17.920 15.534 40 HA LYS 5 HA LYS 5 0.706 -19.221 13.190 41 1HB LYS 5 2HB LYS 5 -1.212 -20.494 15.078 42 2HB LYS 5 1HB LYS 5 -1.488 -20.775 13.359 43 1HG LYS 5 2HG LYS 5 0.629 -21.781 13.062 44 2HG LYS 5 1HG LYS 5 1.251 -21.120 14.575 45 1HD LYS 5 2HD LYS 5 0.696 -23.560 14.721 46 2HD LYS 5 1HD LYS 5 -0.208 -22.571 15.869 47 1HE LYS 5 2HE LYS 5 -2.197 -22.713 14.613 48 2HE LYS 5 1HE LYS 5 -1.344 -23.204 13.150 49 1HZ LYS 5 1HZ LYS 5 -0.763 -25.289 14.258 50 2HZ LYS 5 2HZ LYS 5 -2.446 -25.085 14.145 51 3HZ LYS 5 3HZ LYS 5 -1.651 -24.819 15.623 52 HA PRO 6 HA PRO 6 -2.741 -16.203 12.298 53 1HB PRO 6 2HB PRO 6 -1.167 -14.266 11.145 54 2HB PRO 6 1HB PRO 6 -1.571 -14.299 12.870 55 1HG PRO 6 2HG PRO 6 1.000 -15.004 11.531 56 2HG PRO 6 1HG PRO 6 0.719 -14.406 13.174 57 1HD PRO 6 2HD PRO 6 1.243 -17.091 12.465 58 2HD PRO 6 1HD PRO 6 0.614 -16.531 14.029 59 H SER 7 H SER 7 -3.043 -18.094 10.753 60 HA SER 7 HA SER 7 -3.278 -18.885 8.556 61 1HB SER 7 2HB SER 7 -2.745 -15.962 8.210 62 2HB SER 7 1HB SER 7 -2.666 -16.993 6.784 63 HG SER 7 HG SER 7 -4.763 -16.587 6.865 64 H SER 8 H SER 8 -1.788 -18.596 6.286 65 HA SER 8 HA SER 8 0.242 -19.243 5.307 66 1HB SER 8 2HB SER 8 1.322 -17.293 6.015 67 2HB SER 8 1HB SER 8 1.127 -17.686 7.721 68 HG SER 8 HG SER 8 2.954 -18.709 7.638 69 H ARG 9 H ARG 9 0.785 -21.357 5.220 70 HA ARG 9 HA ARG 9 1.239 -23.551 5.926 71 1HB ARG 9 2HB ARG 9 2.747 -21.964 8.025 72 2HB ARG 9 1HB ARG 9 2.941 -23.697 7.751 73 1HG ARG 9 2HG ARG 9 4.001 -23.400 5.715 74 2HG ARG 9 1HG ARG 9 3.201 -21.858 5.406 75 1HD ARG 9 2HD ARG 9 5.298 -21.071 5.954 76 2HD ARG 9 1HD ARG 9 4.592 -21.133 7.569 77 HE ARG 9 HE ARG 9 6.668 -22.927 6.527 78 1HH1 ARG 9 1HH2 ARG 9 5.708 -21.542 9.304 79 2HH1 ARG 9 2HH2 ARG 9 5.688 -22.973 10.280 80 1HH2 ARG 9 2HH1 ARG 9 5.996 -25.134 7.586 81 2HH2 ARG 9 1HH1 ARG 9 5.848 -25.007 9.306 82 HA PRO 10 HA PRO 10 -1.998 -23.325 9.227 83 1HB PRO 10 2HB PRO 10 -3.928 -24.634 7.769 84 2HB PRO 10 1HB PRO 10 -3.716 -22.874 7.759 85 1HG PRO 10 2HG PRO 10 -2.989 -24.865 5.661 86 2HG PRO 10 1HG PRO 10 -3.381 -23.147 5.488 87 1HD PRO 10 2HD PRO 10 -0.782 -24.266 5.444 88 2HD PRO 10 1HD PRO 10 -1.175 -22.541 5.603 89 H ARG 11 H ARG 11 -1.743 -26.061 6.911 90 HA ARG 11 HA ARG 11 -1.277 -28.330 7.301 91 1HB ARG 11 2HB ARG 11 0.569 -27.354 8.740 92 2HB ARG 11 1HB ARG 11 -0.530 -27.488 10.113 93 1HG ARG 11 2HG ARG 11 -0.435 -29.787 10.150 94 2HG ARG 11 1HG ARG 11 -0.177 -29.909 8.409 95 1HD ARG 11 2HD ARG 11 2.077 -29.852 8.629 96 2HD ARG 11 1HD ARG 11 2.011 -28.541 9.807 97 HE ARG 11 HE ARG 11 1.612 -30.251 11.555 98 1HH1 ARG 11 1HH2 ARG 11 4.264 -30.905 10.282 99 2HH1 ARG 11 2HH2 ARG 11 4.113 -32.607 10.003 100 1HH2 ARG 11 2HH1 ARG 11 0.669 -32.634 10.398 101 2HH2 ARG 11 1HH1 ARG 11 2.077 -33.587 10.070 102 HA PRO 12 HA PRO 12 -5.345 -28.780 9.293 103 1HB PRO 12 2HB PRO 12 -6.300 -30.490 7.362 104 2HB PRO 12 1HB PRO 12 -6.382 -28.725 7.234 105 1HG PRO 12 2HG PRO 12 -4.571 -30.626 5.821 106 2HG PRO 12 1HG PRO 12 -5.131 -29.023 5.315 107 1HD PRO 12 2HD PRO 12 -2.587 -29.623 6.401 108 2HD PRO 12 1HD PRO 12 -3.282 -28.000 6.202 109 H ARG 13 H ARG 13 -6.563 -31.223 9.295 110 HA ARG 13 HA ARG 13 -4.430 -33.104 10.227 111 1HB ARG 13 2HB ARG 13 -6.422 -31.921 11.775 112 2HB ARG 13 1HB ARG 13 -7.054 -33.532 11.431 113 1HG ARG 13 2HG ARG 13 -5.627 -34.435 12.917 114 2HG ARG 13 1HG ARG 13 -4.257 -33.752 12.039 115 1HD ARG 13 2HD ARG 13 -5.664 -31.700 13.541 116 2HD ARG 13 1HD ARG 13 -5.132 -33.010 14.596 117 HE ARG 13 HE ARG 13 -2.993 -32.268 12.834 118 1HH1 ARG 13 1HH2 ARG 13 -2.483 -32.705 15.683 119 2HH1 ARG 13 2HH2 ARG 13 -2.224 -31.106 16.295 120 1HH2 ARG 13 2HH1 ARG 13 -3.663 -29.539 13.557 121 2HH2 ARG 13 1HH1 ARG 13 -2.890 -29.314 15.091 122 H LYS 14 H LYS 14 -4.396 -34.272 8.257 123 HA LYS 14 HA LYS 14 -5.073 -36.126 6.965 124 1HB LYS 14 2HB LYS 14 -6.433 -36.572 9.235 125 2HB LYS 14 1HB LYS 14 -7.795 -36.193 8.180 126 1HG LYS 14 2HG LYS 14 -6.325 -37.859 6.580 127 2HG LYS 14 1HG LYS 14 -6.014 -38.545 8.175 128 1HD LYS 14 2HD LYS 14 -8.824 -37.820 7.782 129 2HD LYS 14 1HD LYS 14 -8.263 -39.031 6.630 130 1HE LYS 14 2HE LYS 14 -8.726 -40.488 8.323 131 2HE LYS 14 1HE LYS 14 -7.147 -39.981 8.921 132 1HZ LYS 14 1HZ LYS 14 -8.458 -39.600 10.737 133 2HZ LYS 14 2HZ LYS 14 -9.824 -39.176 9.819 134 3HZ LYS 14 3HZ LYS 14 -8.538 -38.079 9.990 135 H ASN 15 H ASN 15 -5.093 -34.396 5.295 136 HA ASN 15 HA ASN 15 -7.871 -33.652 4.472 137 1HB ASN 15 2HB ASN 15 -6.555 -31.669 4.842 138 2HB ASN 15 1HB ASN 15 -5.202 -32.329 3.924 139 1HD2 ASN 15 1HD2 ASN 15 -8.683 -31.490 3.475 140 2HD2 ASN 15 2HD2 ASN 15 -8.504 -30.992 1.863 141 H LYS 16 H LYS 16 -8.610 -34.508 2.578 142 HA LYS 16 HA LYS 16 -6.776 -35.259 0.428 143 1HB LYS 16 2HB LYS 16 -7.586 -37.216 2.393 144 2HB LYS 16 1HB LYS 16 -8.251 -37.640 0.813 145 1HG LYS 16 2HG LYS 16 -5.496 -36.714 0.604 146 2HG LYS 16 1HG LYS 16 -5.636 -38.106 1.679 147 1HD LYS 16 2HD LYS 16 -6.622 -37.916 -1.180 148 2HD LYS 16 1HD LYS 16 -5.308 -38.927 -0.579 149 1HE LYS 16 2HE LYS 16 -7.484 -39.583 1.049 150 2HE LYS 16 1HE LYS 16 -8.174 -39.439 -0.568 151 1HZ LYS 16 1HZ LYS 16 -5.818 -41.084 0.181 152 2HZ LYS 16 2HZ LYS 16 -6.445 -40.924 -1.390 153 3HZ LYS 16 3HZ LYS 16 -7.369 -41.670 -0.174 154 H ASN 17 H ASN 17 -8.853 -33.416 0.437 155 HA ASN 17 HA ASN 17 -10.889 -34.803 -1.258 156 1HB ASN 17 2HB ASN 17 -11.240 -32.742 0.905 157 2HB ASN 17 1HB ASN 17 -12.393 -32.821 -0.429 158 1HD2 ASN 17 1HD2 ASN 17 -13.740 -34.746 -0.610 159 2HD2 ASN 17 2HD2 ASN 17 -13.862 -35.867 0.659 160 H ILE 18 H ILE 18 -10.036 -34.215 -3.255 161 HA ILE 18 HA ILE 18 -9.888 -31.272 -3.770 162 HB ILE 18 HB ILE 18 -8.116 -31.872 -5.498 163 1HG1 ILE 18 2HG1 ILE 18 -7.800 -34.398 -3.875 164 2HG1 ILE 18 1HG1 ILE 18 -8.791 -34.370 -5.333 165 1HG2 ILE 18 1HG2 ILE 18 -7.675 -30.899 -3.198 166 2HG2 ILE 18 2HG2 ILE 18 -6.336 -31.822 -3.879 167 3HG2 ILE 18 3HG2 ILE 18 -7.365 -32.544 -2.642 168 1HD1 ILE 18 1HD1 ILE 18 -6.611 -33.156 -6.312 169 2HD1 ILE 18 2HD1 ILE 18 -6.775 -34.912 -6.303 170 3HD1 ILE 18 3HD1 ILE 18 -5.836 -34.106 -5.045 171 H LYS 19 H LYS 19 -12.187 -31.651 -4.424 172 HA LYS 19 HA LYS 19 -12.286 -32.486 -7.275 173 1HB LYS 19 2HB LYS 19 -13.258 -34.124 -5.242 174 2HB LYS 19 1HB LYS 19 -14.693 -33.279 -5.821 175 1HG LYS 19 2HG LYS 19 -14.489 -34.133 -7.985 176 2HG LYS 19 1HG LYS 19 -12.761 -34.438 -7.808 177 1HD LYS 19 2HD LYS 19 -13.150 -36.331 -6.386 178 2HD LYS 19 1HD LYS 19 -14.861 -35.935 -6.224 179 1HE LYS 19 2HE LYS 19 -14.401 -36.114 -8.994 180 2HE LYS 19 1HE LYS 19 -13.539 -37.481 -8.287 181 1HZ LYS 19 1HZ LYS 19 -15.930 -37.362 -6.945 182 2HZ LYS 19 2HZ LYS 19 -15.496 -38.483 -8.148 183 3HZ LYS 19 3HZ LYS 19 -16.341 -37.069 -8.564 184 H VAL 20 H VAL 20 -12.381 -29.899 -5.753 185 HA VAL 20 HA VAL 20 -14.795 -28.848 -7.089 186 HB VAL 20 HB VAL 20 -15.742 -29.316 -4.938 187 1HG1 VAL 20 1HG1 VAL 20 -13.936 -29.774 -3.519 188 2HG1 VAL 20 2HG1 VAL 20 -14.515 -28.230 -2.894 189 3HG1 VAL 20 3HG1 VAL 20 -13.098 -28.281 -3.943 190 1HG2 VAL 20 1HG2 VAL 20 -15.468 -26.713 -5.927 191 2HG2 VAL 20 2HG2 VAL 20 -15.117 -26.564 -4.205 192 3HG2 VAL 20 3HG2 VAL 20 -16.649 -27.256 -4.735 193 H ASN 21 H ASN 21 -14.131 -27.057 -8.155 194 HA ASN 21 HA ASN 21 -12.865 -25.166 -8.725 195 1HB ASN 21 2HB ASN 21 -12.698 -25.030 -5.702 196 2HB ASN 21 1HB ASN 21 -12.153 -23.743 -6.779 197 1HD2 ASN 21 1HD2 ASN 21 -13.723 -22.131 -6.791 198 2HD2 ASN 21 2HD2 ASN 21 -15.397 -22.402 -6.881 199 H THR 22 H THR 22 -11.313 -26.965 -9.496 200 HA THR 22 HA THR 22 -8.745 -26.758 -7.971 201 HB THR 22 HB THR 22 -9.660 -28.977 -9.830 202 HG1 THR 22 HG1 THR 22 -9.299 -29.989 -7.545 203 1HG2 THR 22 1HG2 THR 22 -7.414 -29.280 -9.992 204 2HG2 THR 22 2HG2 THR 22 -7.554 -29.926 -8.357 205 3HG2 THR 22 3HG2 THR 22 -7.081 -28.245 -8.603 206 H TYR 23 H TYR 23 -9.773 -27.544 -11.319 207 HA TYR 23 HA TYR 23 -8.928 -26.778 -13.370 208 1HB TYR 23 2HB TYR 23 -9.723 -24.598 -12.155 209 2HB TYR 23 1HB TYR 23 -7.998 -24.286 -11.964 210 HD1 TYR 23 HD1 TYR 23 -6.527 -24.078 -13.971 211 HD2 TYR 23 HD2 TYR 23 -10.797 -24.442 -14.303 212 HE1 TYR 23 HE1 TYR 23 -6.414 -23.271 -16.315 213 HE2 TYR 23 HE2 TYR 23 -10.683 -23.636 -16.647 214 HH TYR 23 HH TYR 23 -8.609 -22.001 -17.927 215 H ARG 24 H ARG 24 -7.214 -28.523 -12.668 216 HA ARG 24 HA ARG 24 -4.961 -29.170 -12.729 217 1HB ARG 24 2HB ARG 24 -5.214 -26.897 -14.419 218 2HB ARG 24 1HB ARG 24 -3.722 -26.695 -13.499 219 1HG ARG 24 2HG ARG 24 -3.067 -27.961 -15.389 220 2HG ARG 24 1HG ARG 24 -3.238 -29.158 -14.105 221 1HD ARG 24 2HD ARG 24 -5.627 -29.506 -14.915 222 2HD ARG 24 1HD ARG 24 -5.197 -28.540 -16.326 223 HE ARG 24 HE ARG 24 -3.417 -30.819 -15.770 224 1HH1 ARG 24 2HH1 ARG 24 -3.698 -29.606 -18.477 225 2HH1 ARG 24 1HH1 ARG 24 -4.721 -30.742 -19.290 226 1HH2 ARG 24 1HH2 ARG 24 -5.797 -32.267 -16.368 227 2HH2 ARG 24 2HH2 ARG 24 -5.912 -32.247 -18.096 228 H THR 25 H THR 25 -2.626 -28.001 -12.028 229 HA THR 25 HA THR 25 -3.066 -26.434 -9.554 230 HB THR 25 HB THR 25 -2.019 -27.998 -8.108 231 HG1 THR 25 HG1 THR 25 -0.433 -29.066 -8.944 232 1HG2 THR 25 1HG2 THR 25 -3.321 -30.107 -8.463 233 2HG2 THR 25 2HG2 THR 25 -3.790 -29.503 -10.053 234 3HG2 THR 25 3HG2 THR 25 -4.308 -28.651 -8.598 235 H SER 26 H SER 26 -1.794 -25.946 -12.176 236 HA SER 26 HA SER 26 1.027 -25.547 -11.254 237 1HB SER 26 2HB SER 26 1.502 -25.389 -13.769 238 2HB SER 26 1HB SER 26 1.097 -26.988 -13.151 239 HG SER 26 HG SER 26 -0.974 -25.313 -14.001 240 H ALA 27 H ALA 27 -0.754 -23.668 -10.405 241 HA ALA 27 HA ALA 27 0.273 -21.233 -11.428 242 1HB ALA 27 1HB ALA 27 -2.253 -20.670 -12.353 243 2HB ALA 27 2HB ALA 27 -2.033 -22.334 -12.896 244 3HB ALA 27 3HB ALA 27 -0.881 -21.090 -13.380 245 H MET 28 H MET 28 0.290 -20.665 -9.235 246 HA MET 28 HA MET 28 -2.376 -20.485 -7.897 247 1HB MET 28 2HB MET 28 0.432 -20.807 -6.856 248 2HB MET 28 1HB MET 28 -0.835 -20.152 -5.818 249 1HG MET 28 2HG MET 28 -1.930 -22.153 -5.668 250 2HG MET 28 1HG MET 28 -1.550 -22.602 -7.331 251 1HE MET 28 1HE MET 28 -0.133 -24.320 -3.718 252 2HE MET 28 2HE MET 28 -1.026 -25.116 -5.011 253 3HE MET 28 3HE MET 28 -1.631 -23.607 -4.332 254 H ASP 29 H ASP 29 0.211 -18.643 -9.229 255 HA ASP 29 HA ASP 29 -1.046 -16.175 -8.107 256 1HB ASP 29 2HB ASP 29 1.746 -17.080 -7.939 257 2HB ASP 29 1HB ASP 29 1.573 -15.439 -8.564 258 H LEU 30 H LEU 30 -0.018 -14.215 -9.495 259 HA LEU 30 HA LEU 30 -0.600 -14.939 -12.321 260 1HB LEU 30 2HB LEU 30 -0.397 -12.197 -11.036 261 2HB LEU 30 1HB LEU 30 -0.998 -12.555 -12.657 262 HG LEU 30 HG LEU 30 -2.287 -14.011 -10.404 263 1HD1 LEU 30 1HD1 LEU 30 -3.634 -11.495 -10.813 264 2HD1 LEU 30 2HD1 LEU 30 -1.978 -11.198 -10.286 265 3HD1 LEU 30 3HD1 LEU 30 -3.048 -12.200 -9.305 266 1HD2 LEU 30 1HD2 LEU 30 -2.758 -13.404 -13.163 267 2HD2 LEU 30 2HD2 LEU 30 -4.079 -12.721 -12.214 268 3HD2 LEU 30 3HD2 LEU 30 -3.706 -14.441 -12.097 269 H SER 31 H SER 31 1.053 -15.031 -13.764 270 HA SER 31 HA SER 31 3.767 -14.755 -13.072 271 1HB SER 31 2HB SER 31 3.158 -14.060 -15.870 272 2HB SER 31 1HB SER 31 4.167 -15.353 -15.229 273 HG SER 31 HG SER 31 2.383 -16.603 -14.947 274 HA PRO 32 HA PRO 32 4.228 -10.367 -12.934 275 1HB PRO 32 2HB PRO 32 6.977 -10.327 -12.896 276 2HB PRO 32 1HB PRO 32 5.983 -10.739 -11.489 277 1HG PRO 32 2HG PRO 32 7.582 -12.539 -13.248 278 2HG PRO 32 1HG PRO 32 7.113 -12.754 -11.553 279 1HD PRO 32 2HD PRO 32 5.889 -13.998 -13.785 280 2HD PRO 32 1HD PRO 32 5.237 -13.939 -12.133 281 H GLY 33 H GLY 33 3.468 -9.844 -15.088 282 1HA GLY 33 2HA GLY 33 4.479 -8.385 -16.902 283 2HA GLY 33 1HA GLY 33 5.638 -9.692 -17.146 284 H SER 34 H SER 34 2.344 -10.524 -16.415 285 HA SER 34 HA SER 34 2.026 -11.429 -19.247 286 1HB SER 34 2HB SER 34 2.020 -13.131 -17.310 287 2HB SER 34 1HB SER 34 0.452 -12.453 -16.880 288 HG SER 34 HG SER 34 -0.406 -13.367 -18.584 289 H VAL 35 H VAL 35 -0.318 -11.436 -19.995 290 HA VAL 35 HA VAL 35 -1.618 -8.914 -19.074 291 HB VAL 35 HB VAL 35 -2.389 -10.385 -21.578 292 1HG1 VAL 35 1HG1 VAL 35 -3.731 -8.558 -21.588 293 2HG1 VAL 35 2HG1 VAL 35 -2.281 -7.658 -22.036 294 3HG1 VAL 35 3HG1 VAL 35 -2.776 -7.750 -20.345 295 1HG2 VAL 35 1HG2 VAL 35 0.237 -9.295 -20.970 296 2HG2 VAL 35 2HG2 VAL 35 -0.516 -8.426 -22.308 297 3HG2 VAL 35 3HG2 VAL 35 -0.298 -10.173 -22.403 298 H HIS 36 H HIS 36 -3.988 -8.927 -18.885 299 HA HIS 36 HA HIS 36 -5.381 -11.498 -18.844 300 1HB HIS 36 2HB HIS 36 -4.051 -10.618 -16.482 301 2HB HIS 36 1HB HIS 36 -5.784 -10.424 -16.218 302 HD1 HIS 36 HD1 HIS 36 -3.133 -12.963 -16.408 303 HD2 HIS 36 HD2 HIS 36 -7.292 -12.916 -16.674 304 HE1 HIS 36 HE1 HIS 36 -3.895 -15.362 -16.128 305 H GLU 37 H GLU 37 -7.690 -11.202 -18.319 306 HA GLU 37 HA GLU 37 -8.571 -8.415 -18.926 307 1HB GLU 37 2HB GLU 37 -10.251 -10.926 -19.113 308 2HB GLU 37 1HB GLU 37 -10.552 -9.360 -19.868 309 1HG GLU 37 2HG GLU 37 -8.005 -10.086 -20.767 310 2HG GLU 37 1HG GLU 37 -8.937 -11.583 -20.828 311 H GLY 38 H GLY 38 -9.508 -7.300 -17.275 312 1HA GLY 38 2HA GLY 38 -10.928 -8.843 -15.155 313 2HA GLY 38 1HA GLY 38 -9.690 -7.679 -14.681 314 H ILE 39 H ILE 39 -12.062 -7.105 -13.637 315 HA ILE 39 HA ILE 39 -13.482 -5.259 -15.484 316 HB ILE 39 HB ILE 39 -14.178 -5.976 -12.621 317 1HG1 ILE 39 2HG1 ILE 39 -15.598 -7.120 -14.998 318 2HG1 ILE 39 1HG1 ILE 39 -14.066 -7.845 -14.511 319 1HG2 ILE 39 1HG2 ILE 39 -16.467 -5.258 -13.444 320 2HG2 ILE 39 2HG2 ILE 39 -15.676 -4.665 -14.905 321 3HG2 ILE 39 3HG2 ILE 39 -15.280 -3.958 -13.338 322 1HD1 ILE 39 1HD1 ILE 39 -16.191 -7.309 -12.451 323 2HD1 ILE 39 2HD1 ILE 39 -14.891 -8.501 -12.421 324 3HD1 ILE 39 3HD1 ILE 39 -16.290 -8.750 -13.464 325 H VAL 40 H VAL 40 -14.057 -3.053 -14.489 326 HA VAL 40 HA VAL 40 -11.626 -2.036 -13.086 327 HB VAL 40 HB VAL 40 -13.641 -0.547 -14.789 328 1HG1 VAL 40 1HG1 VAL 40 -11.127 0.270 -13.327 329 2HG1 VAL 40 2HG1 VAL 40 -12.727 1.008 -13.243 330 3HG1 VAL 40 3HG1 VAL 40 -11.745 1.193 -14.697 331 1HG2 VAL 40 1HG2 VAL 40 -12.423 -1.240 -16.552 332 2HG2 VAL 40 2HG2 VAL 40 -11.417 -2.209 -15.476 333 3HG2 VAL 40 3HG2 VAL 40 -10.977 -0.539 -15.827 334 H TYR 41 H TYR 41 -11.930 -0.323 -11.509 335 HA TYR 41 HA TYR 41 -14.623 0.092 -10.393 336 1HB TYR 41 2HB TYR 41 -12.939 -1.951 -9.358 337 2HB TYR 41 1HB TYR 41 -12.902 -0.626 -8.195 338 HD1 TYR 41 HD1 TYR 41 -14.755 -3.440 -9.365 339 HD2 TYR 41 HD2 TYR 41 -15.207 0.443 -7.578 340 HE1 TYR 41 HE1 TYR 41 -17.018 -4.072 -8.565 341 HE2 TYR 41 HE2 TYR 41 -17.469 -0.188 -6.779 342 HH TYR 41 HH TYR 41 -18.934 -3.293 -7.669 343 H PHE 42 H PHE 42 -14.637 1.935 -8.934 344 HA PHE 42 HA PHE 42 -12.190 3.615 -9.225 345 1HB PHE 42 2HB PHE 42 -13.869 5.445 -8.428 346 2HB PHE 42 1HB PHE 42 -13.999 4.843 -10.080 347 HD1 PHE 42 HD1 PHE 42 -15.766 3.210 -10.691 348 HD2 PHE 42 HD2 PHE 42 -15.566 4.968 -6.775 349 HE1 PHE 42 HE1 PHE 42 -18.096 2.485 -10.247 350 HE2 PHE 42 HE2 PHE 42 -17.897 4.243 -6.329 351 HZ PHE 42 HZ PHE 42 -19.161 3.000 -8.066 352 H LYS 43 H LYS 43 -10.949 3.940 -7.453 353 HA LYS 43 HA LYS 43 -11.756 4.611 -4.879 354 1HB LYS 43 2HB LYS 43 -12.312 1.835 -5.448 355 2HB LYS 43 1HB LYS 43 -11.105 1.950 -4.166 356 1HG LYS 43 2HG LYS 43 -12.767 3.846 -3.283 357 2HG LYS 43 1HG LYS 43 -13.940 2.892 -4.192 358 1HD LYS 43 2HD LYS 43 -12.028 1.583 -2.261 359 2HD LYS 43 1HD LYS 43 -13.560 2.266 -1.711 360 1HE LYS 43 2HE LYS 43 -14.260 0.796 -3.971 361 2HE LYS 43 1HE LYS 43 -13.060 -0.214 -3.165 362 1HZ LYS 43 1HZ LYS 43 -15.013 1.010 -1.416 363 2HZ LYS 43 2HZ LYS 43 -14.404 -0.575 -1.428 364 3HZ LYS 43 3HZ LYS 43 -15.648 -0.131 -2.497 365 H ASP 44 H ASP 44 -9.969 4.187 -3.221 366 HA ASP 44 HA ASP 44 -7.691 4.132 -2.648 367 1HB ASP 44 2HB ASP 44 -7.781 1.928 -3.917 368 2HB ASP 44 1HB ASP 44 -7.233 2.818 -5.338 369 H GLY 45 H GLY 45 -8.943 6.333 -4.208 370 1HA GLY 45 2HA GLY 45 -8.284 8.263 -5.381 371 2HA GLY 45 1HA GLY 45 -6.716 7.997 -4.614 372 H ILE 46 H ILE 46 -7.950 5.479 -6.627 373 HA ILE 46 HA ILE 46 -6.609 6.425 -9.057 374 HB ILE 46 HB ILE 46 -5.015 4.545 -9.146 375 1HG1 ILE 46 2HG1 ILE 46 -5.409 3.904 -6.271 376 2HG1 ILE 46 1HG1 ILE 46 -6.656 3.314 -7.371 377 1HG2 ILE 46 1HG2 ILE 46 -4.797 6.081 -6.540 378 2HG2 ILE 46 2HG2 ILE 46 -4.331 6.710 -8.120 379 3HG2 ILE 46 3HG2 ILE 46 -3.468 5.338 -7.429 380 1HD1 ILE 46 1HD1 ILE 46 -5.275 1.767 -8.285 381 2HD1 ILE 46 2HD1 ILE 46 -4.258 2.044 -6.871 382 3HD1 ILE 46 3HD1 ILE 46 -3.928 2.902 -8.376 383 H PHE 47 H PHE 47 -6.341 3.398 -9.734 384 HA PHE 47 HA PHE 47 -9.270 2.984 -10.177 385 1HB PHE 47 2HB PHE 47 -6.944 2.812 -11.976 386 2HB PHE 47 1HB PHE 47 -8.034 1.428 -12.072 387 HD1 PHE 47 HD1 PHE 47 -9.116 1.839 -14.164 388 HD2 PHE 47 HD2 PHE 47 -8.951 4.919 -11.172 389 HE1 PHE 47 HE1 PHE 47 -10.728 3.196 -15.473 390 HE2 PHE 47 HE2 PHE 47 -10.563 6.277 -12.480 391 HZ PHE 47 HZ PHE 47 -11.451 5.416 -14.631 392 H LYS 48 H LYS 48 -9.822 0.599 -10.444 393 HA LYS 48 HA LYS 48 -8.001 -1.179 -8.908 394 1HB LYS 48 2HB LYS 48 -10.272 0.015 -7.767 395 2HB LYS 48 1HB LYS 48 -10.774 -1.629 -8.162 396 1HG LYS 48 2HG LYS 48 -8.720 -2.482 -7.015 397 2HG LYS 48 1HG LYS 48 -8.351 -0.828 -6.524 398 1HD LYS 48 2HD LYS 48 -10.703 -0.779 -5.492 399 2HD LYS 48 1HD LYS 48 -10.712 -2.529 -5.705 400 1HE LYS 48 2HE LYS 48 -8.348 -2.356 -4.515 401 2HE LYS 48 1HE LYS 48 -9.021 -0.850 -3.891 402 1HZ LYS 48 1HZ LYS 48 -10.053 -2.080 -2.382 403 2HZ LYS 48 2HZ LYS 48 -9.624 -3.531 -3.154 404 3HZ LYS 48 3HZ LYS 48 -11.029 -2.700 -3.623 405 H VAL 49 H VAL 49 -8.149 -3.344 -9.560 406 HA VAL 49 HA VAL 49 -10.049 -3.857 -11.812 407 HB VAL 49 HB VAL 49 -7.279 -4.986 -11.310 408 1HG1 VAL 49 1HG1 VAL 49 -7.872 -6.722 -12.611 409 2HG1 VAL 49 2HG1 VAL 49 -8.272 -5.595 -13.907 410 3HG1 VAL 49 3HG1 VAL 49 -9.509 -6.079 -12.747 411 1HG2 VAL 49 1HG2 VAL 49 -7.873 -3.690 -13.870 412 2HG2 VAL 49 2HG2 VAL 49 -6.520 -3.429 -12.771 413 3HG2 VAL 49 3HG2 VAL 49 -8.051 -2.599 -12.497 414 H ARG 50 H ARG 50 -11.350 -5.667 -11.645 415 HA ARG 50 HA ARG 50 -11.035 -7.289 -9.154 416 1HB ARG 50 2HB ARG 50 -13.396 -6.381 -10.756 417 2HB ARG 50 1HB ARG 50 -13.509 -7.927 -9.911 418 1HG ARG 50 2HG ARG 50 -12.655 -6.669 -7.838 419 2HG ARG 50 1HG ARG 50 -13.013 -5.191 -8.731 420 1HD ARG 50 2HD ARG 50 -15.307 -5.577 -8.725 421 2HD ARG 50 1HD ARG 50 -15.115 -7.322 -8.551 422 HE ARG 50 HE ARG 50 -14.793 -5.348 -6.335 423 1HH1 ARG 50 2HH1 ARG 50 -16.359 -8.114 -7.380 424 2HH1 ARG 50 1HH1 ARG 50 -16.131 -9.016 -5.919 425 1HH2 ARG 50 1HH2 ARG 50 -13.975 -6.694 -4.509 426 2HH2 ARG 50 2HH2 ARG 50 -14.782 -8.212 -4.294 427 H LEU 51 H LEU 51 -10.328 -9.361 -9.454 428 HA LEU 51 HA LEU 51 -10.383 -10.455 -12.215 429 1HB LEU 51 2HB LEU 51 -8.631 -10.720 -9.929 430 2HB LEU 51 1HB LEU 51 -9.169 -12.311 -10.468 431 HG LEU 51 HG LEU 51 -8.638 -11.007 -12.848 432 1HD1 LEU 51 1HD1 LEU 51 -6.212 -10.466 -11.183 433 2HD1 LEU 51 2HD1 LEU 51 -7.531 -9.295 -11.135 434 3HD1 LEU 51 3HD1 LEU 51 -6.750 -9.682 -12.670 435 1HD2 LEU 51 1HD2 LEU 51 -6.270 -12.359 -12.069 436 2HD2 LEU 51 2HD2 LEU 51 -7.607 -13.004 -13.021 437 3HD2 LEU 51 3HD2 LEU 51 -7.605 -13.189 -11.268 438 H LEU 52 H LEU 52 -12.851 -10.585 -11.814 439 HA LEU 52 HA LEU 52 -14.074 -12.357 -10.019 440 1HB LEU 52 2HB LEU 52 -15.300 -10.895 -11.621 441 2HB LEU 52 1HB LEU 52 -14.814 -11.966 -12.936 442 HG LEU 52 HG LEU 52 -16.014 -13.413 -10.692 443 1HD1 LEU 52 1HD1 LEU 52 -17.786 -12.077 -10.304 444 2HD1 LEU 52 2HD1 LEU 52 -18.280 -12.336 -11.978 445 3HD1 LEU 52 3HD1 LEU 52 -17.271 -10.952 -11.561 446 1HD2 LEU 52 1HD2 LEU 52 -17.484 -14.129 -12.739 447 2HD2 LEU 52 2HD2 LEU 52 -15.787 -14.606 -12.701 448 3HD2 LEU 52 3HD2 LEU 52 -16.295 -13.233 -13.685 449 H GLY 53 H GLY 53 -14.380 -14.596 -9.975 450 1HA GLY 53 2HA GLY 53 -14.345 -16.784 -11.115 451 2HA GLY 53 1HA GLY 53 -13.030 -16.176 -12.122 452 H TYR 54 H TYR 54 -11.236 -15.144 -10.407 453 HA TYR 54 HA TYR 54 -10.057 -17.476 -9.186 454 1HB TYR 54 2HB TYR 54 -9.346 -14.662 -9.600 455 2HB TYR 54 1HB TYR 54 -8.763 -15.297 -8.061 456 HD1 TYR 54 HD1 TYR 54 -6.774 -16.522 -8.010 457 HD2 TYR 54 HD2 TYR 54 -8.978 -16.227 -11.687 458 HE1 TYR 54 HE1 TYR 54 -4.960 -17.732 -9.194 459 HE2 TYR 54 HE2 TYR 54 -7.164 -17.436 -12.872 460 HH TYR 54 HH TYR 54 -4.369 -18.739 -11.108 461 H GLU 55 H GLU 55 -12.270 -15.058 -8.068 462 HA GLU 55 HA GLU 55 -13.333 -14.789 -5.993 463 1HB GLU 55 2HB GLU 55 -12.410 -17.620 -6.005 464 2HB GLU 55 1HB GLU 55 -12.843 -16.940 -4.436 465 1HG GLU 55 2HG GLU 55 -14.947 -16.045 -5.809 466 2HG GLU 55 1HG GLU 55 -14.565 -17.433 -6.828 467 H GLY 56 H GLY 56 -12.511 -13.337 -4.568 468 1HA GLY 56 2HA GLY 56 -11.145 -12.478 -2.851 469 2HA GLY 56 1HA GLY 56 -10.345 -14.047 -2.770 470 H HIS 57 H HIS 57 -10.598 -12.255 -5.780 471 HA HIS 57 HA HIS 57 -7.646 -11.786 -5.627 472 1HB HIS 57 2HB HIS 57 -9.201 -13.175 -7.575 473 2HB HIS 57 1HB HIS 57 -8.584 -11.704 -8.330 474 HD1 HIS 57 HD1 HIS 57 -6.697 -12.764 -9.690 475 HD2 HIS 57 HD2 HIS 57 -6.508 -13.723 -5.637 476 HE1 HIS 57 HE1 HIS 57 -4.464 -13.902 -9.327 477 H GLU 58 H GLU 58 -7.879 -9.667 -4.760 478 HA GLU 58 HA GLU 58 -9.347 -7.715 -6.467 479 1HB GLU 58 2HB GLU 58 -9.602 -7.967 -3.845 480 2HB GLU 58 1HB GLU 58 -8.135 -6.990 -3.824 481 1HG GLU 58 2HG GLU 58 -9.638 -5.263 -3.903 482 2HG GLU 58 1HG GLU 58 -9.577 -5.594 -5.635 483 H CYS 59 H CYS 59 -8.057 -6.803 -7.975 484 HA CYS 59 HA CYS 59 -5.188 -6.342 -7.316 485 1HB CYS 59 2HB CYS 59 -6.532 -6.087 -10.018 486 2HB CYS 59 1HB CYS 59 -4.804 -6.199 -9.686 487 HG CYS 59 HG CYS 59 -6.799 -8.583 -9.315 488 H ILE 60 H ILE 60 -4.293 -4.215 -8.135 489 HA ILE 60 HA ILE 60 -6.352 -2.052 -8.053 490 HB ILE 60 HB ILE 60 -4.615 -0.713 -6.748 491 1HG1 ILE 60 2HG1 ILE 60 -3.458 -3.243 -5.740 492 2HG1 ILE 60 1HG1 ILE 60 -2.960 -2.798 -7.373 493 1HG2 ILE 60 1HG2 ILE 60 -5.076 -2.309 -4.629 494 2HG2 ILE 60 2HG2 ILE 60 -6.219 -3.024 -5.765 495 3HG2 ILE 60 3HG2 ILE 60 -6.340 -1.314 -5.351 496 1HD1 ILE 60 1HD1 ILE 60 -2.813 -0.965 -4.961 497 2HD1 ILE 60 2HD1 ILE 60 -2.243 -0.594 -6.589 498 3HD1 ILE 60 3HD1 ILE 60 -1.446 -1.849 -5.641 499 H LEU 61 H LEU 61 -6.086 -0.568 -9.676 500 HA LEU 61 HA LEU 61 -3.672 -0.860 -11.383 501 1HB LEU 61 2HB LEU 61 -5.945 -0.966 -12.428 502 2HB LEU 61 1HB LEU 61 -6.218 0.700 -11.915 503 HG LEU 61 HG LEU 61 -3.782 0.910 -13.145 504 1HD1 LEU 61 1HD1 LEU 61 -5.427 -1.086 -14.731 505 2HD1 LEU 61 2HD1 LEU 61 -3.919 -1.454 -13.894 506 3HD1 LEU 61 3HD1 LEU 61 -3.922 -0.333 -15.256 507 1HD2 LEU 61 1HD2 LEU 61 -6.550 1.593 -13.676 508 2HD2 LEU 61 2HD2 LEU 61 -5.687 1.289 -15.185 509 3HD2 LEU 61 3HD2 LEU 61 -5.090 2.506 -14.056 510 H LEU 62 H LEU 62 -2.041 0.544 -11.021 511 HA LEU 62 HA LEU 62 -2.732 3.363 -10.333 512 1HB LEU 62 2HB LEU 62 -2.133 1.982 -8.265 513 2HB LEU 62 1HB LEU 62 -0.509 1.859 -8.939 514 HG LEU 62 HG LEU 62 -1.657 4.590 -8.883 515 1HD1 LEU 62 1HD1 LEU 62 -0.599 3.435 -6.308 516 2HD1 LEU 62 2HD1 LEU 62 -2.321 3.373 -6.680 517 3HD1 LEU 62 3HD1 LEU 62 -1.501 4.931 -6.558 518 1HD2 LEU 62 1HD2 LEU 62 0.991 3.600 -7.818 519 2HD2 LEU 62 2HD2 LEU 62 0.600 5.188 -8.476 520 3HD2 LEU 62 3HD2 LEU 62 0.716 3.794 -9.549 521 H ASP 63 H ASP 63 -0.242 1.055 -11.386 522 HA ASP 63 HA ASP 63 1.698 2.966 -12.216 523 1HB ASP 63 2HB ASP 63 1.159 0.110 -12.686 524 2HB ASP 63 1HB ASP 63 1.995 0.908 -14.017 525 H TYR 64 H TYR 64 -1.227 1.773 -13.776 526 HA TYR 64 HA TYR 64 -0.809 2.552 -16.431 527 1HB TYR 64 2HB TYR 64 -2.864 1.436 -15.699 528 2HB TYR 64 1HB TYR 64 -3.334 2.863 -14.777 529 HD1 TYR 64 HD1 TYR 64 -1.597 3.320 -17.960 530 HD2 TYR 64 HD2 TYR 64 -5.450 3.006 -16.083 531 HE1 TYR 64 HE1 TYR 64 -2.661 4.279 -19.985 532 HE2 TYR 64 HE2 TYR 64 -6.515 3.967 -18.109 533 HH TYR 64 HH TYR 64 -5.562 3.992 -20.847 534 H LEU 65 H LEU 65 -1.372 4.568 -13.607 535 HA LEU 65 HA LEU 65 -1.895 6.996 -15.109 536 1HB LEU 65 2HB LEU 65 -2.299 6.350 -12.538 537 2HB LEU 65 1HB LEU 65 -0.725 7.128 -12.368 538 HG LEU 65 HG LEU 65 -1.697 9.059 -13.744 539 1HD1 LEU 65 1HD1 LEU 65 -4.134 7.370 -13.240 540 2HD1 LEU 65 2HD1 LEU 65 -3.649 8.205 -14.716 541 3HD1 LEU 65 3HD1 LEU 65 -4.287 9.123 -13.352 542 1HD2 LEU 65 1HD2 LEU 65 -3.357 9.356 -11.477 543 2HD2 LEU 65 2HD2 LEU 65 -1.704 9.939 -11.668 544 3HD2 LEU 65 3HD2 LEU 65 -2.003 8.355 -10.953 545 H ASN 66 H ASN 66 0.933 6.089 -13.095 546 HA ASN 66 HA ASN 66 3.193 6.677 -13.327 547 1HB ASN 66 2HB ASN 66 2.496 5.553 -15.664 548 2HB ASN 66 1HB ASN 66 2.857 7.178 -16.246 549 1HD2 ASN 66 1HD2 ASN 66 4.813 6.324 -17.341 550 2HD2 ASN 66 2HD2 ASN 66 6.203 5.955 -16.440 551 H TYR 67 H TYR 67 4.247 8.507 -15.364 552 HA TYR 67 HA TYR 67 3.074 11.047 -14.305 553 1HB TYR 67 2HB TYR 67 5.885 10.463 -15.285 554 2HB TYR 67 1HB TYR 67 5.312 12.035 -14.726 555 HD1 TYR 67 HD1 TYR 67 4.790 12.426 -12.364 556 HD2 TYR 67 HD2 TYR 67 6.234 8.615 -13.729 557 HE1 TYR 67 HE1 TYR 67 5.260 11.764 -10.020 558 HE2 TYR 67 HE2 TYR 67 6.706 7.954 -11.385 559 HH TYR 67 HH TYR 67 6.631 8.557 -9.256 560 H ARG 68 H ARG 68 4.407 9.455 -17.186 561 HA ARG 68 HA ARG 68 4.235 11.512 -19.062 562 1HB ARG 68 2HB ARG 68 4.997 9.140 -19.495 563 2HB ARG 68 1HB ARG 68 3.296 8.675 -19.572 564 1HG ARG 68 2HG ARG 68 3.473 10.918 -21.231 565 2HG ARG 68 1HG ARG 68 4.935 9.996 -21.584 566 1HD ARG 68 2HD ARG 68 2.383 8.469 -21.359 567 2HD ARG 68 1HD ARG 68 2.604 9.465 -22.798 568 HE ARG 68 HE ARG 68 4.965 7.897 -22.327 569 1HH1 ARG 68 2HH1 ARG 68 1.654 7.212 -22.797 570 2HH1 ARG 68 1HH1 ARG 68 1.920 6.065 -24.067 571 1HH2 ARG 68 1HH2 ARG 68 5.337 6.628 -24.225 572 2HH2 ARG 68 2HH2 ARG 68 4.003 5.736 -24.877 573 H GLN 69 H GLN 69 1.597 9.170 -18.411 574 HA GLN 69 HA GLN 69 -0.422 10.413 -19.886 575 1HB GLN 69 2HB GLN 69 -0.676 9.061 -17.181 576 2HB GLN 69 1HB GLN 69 -2.019 9.395 -18.276 577 1HG GLN 69 2HG GLN 69 0.269 7.979 -19.504 578 2HG GLN 69 1HG GLN 69 -0.607 7.061 -18.277 579 1HE2 GLN 69 1HE2 GLN 69 -2.901 6.603 -18.674 580 2HE2 GLN 69 2HE2 GLN 69 -3.566 6.753 -20.228 581 H ASP 70 H ASP 70 -2.137 11.898 -19.225 582 HA ASP 70 HA ASP 70 -2.045 13.392 -16.779 583 1HB ASP 70 2HB ASP 70 -0.089 14.158 -18.676 584 2HB ASP 70 1HB ASP 70 -1.348 15.392 -18.741 585 H THR 71 H THR 71 -4.318 12.883 -17.087 586 HA THR 71 HA THR 71 -5.789 15.005 -18.388 587 HB THR 71 HB THR 71 -5.432 13.873 -20.444 588 HG1 THR 71 HG1 THR 71 -7.470 13.379 -20.962 589 1HG2 THR 71 1HG2 THR 71 -5.118 11.609 -18.745 590 2HG2 THR 71 2HG2 THR 71 -4.770 11.728 -20.469 591 3HG2 THR 71 3HG2 THR 71 -6.368 11.220 -19.926 592 H LEU 72 H LEU 72 -7.768 15.174 -17.392 593 HA LEU 72 HA LEU 72 -8.389 13.393 -15.203 594 1HB LEU 72 2HB LEU 72 -10.286 15.376 -16.477 595 2HB LEU 72 1HB LEU 72 -10.264 14.819 -14.804 596 HG LEU 72 HG LEU 72 -7.695 15.831 -15.217 597 1HD1 LEU 72 1HD1 LEU 72 -9.279 18.162 -15.968 598 2HD1 LEU 72 2HD1 LEU 72 -9.300 16.922 -17.222 599 3HD1 LEU 72 3HD1 LEU 72 -7.764 17.573 -16.651 600 1HD2 LEU 72 1HD2 LEU 72 -9.065 17.881 -13.987 601 2HD2 LEU 72 2HD2 LEU 72 -8.465 16.439 -13.165 602 3HD2 LEU 72 3HD2 LEU 72 -10.140 16.507 -13.718 603 H ASP 73 H ASP 73 -9.351 13.583 -18.559 604 HA ASP 73 HA ASP 73 -10.770 12.222 -19.842 605 1HB ASP 73 2HB ASP 73 -9.940 10.304 -17.648 606 2HB ASP 73 1HB ASP 73 -10.848 9.813 -19.078 607 H ARG 74 H ARG 74 -12.655 13.531 -19.292 608 HA ARG 74 HA ARG 74 -14.304 12.824 -17.001 609 1HB ARG 74 2HB ARG 74 -14.710 14.564 -19.436 610 2HB ARG 74 1HB ARG 74 -16.029 14.243 -18.310 611 1HG ARG 74 2HG ARG 74 -13.701 14.921 -16.789 612 2HG ARG 74 1HG ARG 74 -13.919 16.144 -18.040 613 1HD ARG 74 2HD ARG 74 -15.560 17.056 -16.802 614 2HD ARG 74 1HD ARG 74 -16.501 15.582 -17.028 615 HE ARG 74 HE ARG 74 -15.780 14.831 -14.867 616 1HH1 ARG 74 1HH2 ARG 74 -12.955 15.707 -14.869 617 2HH1 ARG 74 2HH2 ARG 74 -12.959 17.023 -13.743 618 1HH2 ARG 74 2HH1 ARG 74 -16.401 17.436 -13.832 619 2HH2 ARG 74 1HH1 ARG 74 -14.911 18.002 -13.156 620 H LEU 75 H LEU 75 -14.150 11.906 -20.394 621 HA LEU 75 HA LEU 75 -16.712 10.558 -20.450 622 1HB LEU 75 2HB LEU 75 -14.415 10.914 -22.241 623 2HB LEU 75 1HB LEU 75 -15.145 9.314 -22.370 624 HG LEU 75 HG LEU 75 -16.215 10.914 -23.923 625 1HD1 LEU 75 1HD1 LEU 75 -18.584 10.742 -22.561 626 2HD1 LEU 75 2HD1 LEU 75 -17.622 9.519 -21.732 627 3HD1 LEU 75 3HD1 LEU 75 -17.868 9.415 -23.475 628 1HD2 LEU 75 1HD2 LEU 75 -16.372 13.048 -23.182 629 2HD2 LEU 75 2HD2 LEU 75 -16.192 12.553 -21.498 630 3HD2 LEU 75 3HD2 LEU 75 -17.780 12.512 -22.264 631 H LYS 76 H LYS 76 -13.397 9.584 -19.701 632 HA LYS 76 HA LYS 76 -13.778 6.773 -19.616 633 1HB LYS 76 2HB LYS 76 -11.932 8.623 -18.094 634 2HB LYS 76 1HB LYS 76 -11.885 6.871 -17.884 635 1HG LYS 76 2HG LYS 76 -11.812 8.010 -20.659 636 2HG LYS 76 1HG LYS 76 -10.340 8.020 -19.687 637 1HD LYS 76 2HD LYS 76 -10.069 5.777 -19.869 638 2HD LYS 76 1HD LYS 76 -11.784 5.462 -19.597 639 1HE LYS 76 2HE LYS 76 -12.102 6.414 -22.001 640 2HE LYS 76 1HE LYS 76 -10.374 6.110 -22.179 641 1HZ LYS 76 1HZ LYS 76 -12.240 4.036 -21.194 642 2HZ LYS 76 2HZ LYS 76 -10.667 3.835 -21.803 643 3HZ LYS 76 3HZ LYS 76 -11.938 4.257 -22.848 644 H GLU 77 H GLU 77 -14.776 9.279 -17.404 645 HA GLU 77 HA GLU 77 -15.139 7.722 -15.053 646 1HB GLU 77 2HB GLU 77 -15.850 10.337 -15.975 647 2HB GLU 77 1HB GLU 77 -17.284 9.592 -15.268 648 1HG GLU 77 2HG GLU 77 -15.116 8.937 -13.566 649 2HG GLU 77 1HG GLU 77 -14.969 10.657 -13.929 650 H ARG 78 H ARG 78 -17.227 8.176 -17.890 651 HA ARG 78 HA ARG 78 -19.418 6.638 -16.746 652 1HB ARG 78 2HB ARG 78 -19.581 8.441 -18.566 653 2HB ARG 78 1HB ARG 78 -18.997 7.206 -19.681 654 1HG ARG 78 2HG ARG 78 -20.969 5.849 -18.335 655 2HG ARG 78 1HG ARG 78 -21.638 7.480 -18.404 656 1HD ARG 78 2HD ARG 78 -22.354 6.767 -20.462 657 2HD ARG 78 1HD ARG 78 -20.734 7.276 -20.937 658 HE ARG 78 HE ARG 78 -20.627 4.558 -20.059 659 1HH1 ARG 78 1HH2 ARG 78 -19.825 6.085 -22.717 660 2HH1 ARG 78 2HH2 ARG 78 -20.625 5.066 -23.867 661 1HH2 ARG 78 2HH1 ARG 78 -22.541 3.432 -21.482 662 2HH2 ARG 78 1HH1 ARG 78 -22.163 3.564 -23.166 663 H LEU 79 H LEU 79 -16.648 5.909 -18.810 664 HA LEU 79 HA LEU 79 -17.638 3.250 -19.507 665 1HB LEU 79 2HB LEU 79 -15.955 4.715 -20.830 666 2HB LEU 79 1HB LEU 79 -14.757 4.121 -19.679 667 HG LEU 79 HG LEU 79 -16.297 1.884 -20.541 668 1HD1 LEU 79 1HD1 LEU 79 -16.184 1.930 -22.889 669 2HD1 LEU 79 2HD1 LEU 79 -15.033 3.267 -22.901 670 3HD1 LEU 79 3HD1 LEU 79 -16.723 3.561 -22.490 671 1HD2 LEU 79 1HD2 LEU 79 -13.679 2.095 -21.769 672 2HD2 LEU 79 2HD2 LEU 79 -14.213 1.021 -20.477 673 3HD2 LEU 79 3HD2 LEU 79 -13.620 2.636 -20.092 674 H VAL 80 H VAL 80 -15.883 4.642 -16.872 675 HA VAL 80 HA VAL 80 -14.276 2.617 -15.897 676 HB VAL 80 HB VAL 80 -16.266 4.082 -14.153 677 1HG1 VAL 80 1HG1 VAL 80 -14.185 3.998 -12.620 678 2HG1 VAL 80 2HG1 VAL 80 -13.578 2.776 -13.737 679 3HG1 VAL 80 3HG1 VAL 80 -15.081 2.497 -12.857 680 1HG2 VAL 80 1HG2 VAL 80 -14.135 5.662 -14.006 681 2HG2 VAL 80 2HG2 VAL 80 -15.327 5.877 -15.287 682 3HG2 VAL 80 3HG2 VAL 80 -13.824 5.016 -15.618 683 H GLY 81 H GLY 81 -14.711 0.898 -14.299 684 1HA GLY 81 2HA GLY 81 -16.035 -0.833 -13.352 685 2HA GLY 81 1HA GLY 81 -17.459 -0.119 -14.112 686 H ARG 82 H ARG 82 -16.697 -0.048 -16.776 687 HA ARG 82 HA ARG 82 -17.354 -2.545 -17.782 688 1HB ARG 82 2HB ARG 82 -16.490 -0.105 -18.865 689 2HB ARG 82 1HB ARG 82 -15.364 -1.309 -19.495 690 1HG ARG 82 2HG ARG 82 -16.929 -2.035 -20.936 691 2HG ARG 82 1HG ARG 82 -18.000 -2.419 -19.587 692 1HD ARG 82 2HD ARG 82 -18.271 0.286 -19.669 693 2HD ARG 82 1HD ARG 82 -17.988 -0.057 -21.375 694 HE ARG 82 HE ARG 82 -19.936 -1.658 -21.223 695 1HH1 ARG 82 2HH1 ARG 82 -20.423 -1.792 -18.351 696 2HH1 ARG 82 1HH1 ARG 82 -21.655 -0.604 -18.089 697 1HH2 ARG 82 1HH2 ARG 82 -21.126 1.000 -21.118 698 2HH2 ARG 82 2HH2 ARG 82 -22.055 0.975 -19.656 699 H VAL 83 H VAL 83 -15.820 -3.983 -19.146 700 HA VAL 83 HA VAL 83 -13.542 -4.738 -17.390 701 HB VAL 83 HB VAL 83 -14.426 -6.393 -19.730 702 1HG1 VAL 83 1HG1 VAL 83 -12.498 -6.986 -18.212 703 2HG1 VAL 83 2HG1 VAL 83 -13.765 -8.211 -18.279 704 3HG1 VAL 83 3HG1 VAL 83 -13.659 -7.128 -16.891 705 1HG2 VAL 83 1HG2 VAL 83 -16.072 -7.441 -17.982 706 2HG2 VAL 83 2HG2 VAL 83 -16.576 -6.001 -18.867 707 3HG2 VAL 83 3HG2 VAL 83 -15.989 -5.858 -17.210 708 H ILE 84 H ILE 84 -11.438 -5.086 -18.312 709 HA ILE 84 HA ILE 84 -11.000 -4.334 -21.125 710 HB ILE 84 HB ILE 84 -9.606 -2.457 -20.704 711 1HG1 ILE 84 2HG1 ILE 84 -8.344 -3.260 -18.806 712 2HG1 ILE 84 1HG1 ILE 84 -9.099 -1.740 -18.330 713 1HG2 ILE 84 1HG2 ILE 84 -11.893 -2.209 -18.731 714 2HG2 ILE 84 2HG2 ILE 84 -12.076 -2.062 -20.479 715 3HG2 ILE 84 3HG2 ILE 84 -11.090 -0.898 -19.595 716 1HD1 ILE 84 1HD1 ILE 84 -9.618 -3.083 -16.503 717 2HD1 ILE 84 2HD1 ILE 84 -9.777 -4.537 -17.487 718 3HD1 ILE 84 3HD1 ILE 84 -11.049 -3.318 -17.506 719 H LYS 85 H LYS 85 -8.521 -4.429 -21.568 720 HA LYS 85 HA LYS 85 -7.468 -6.797 -20.094 721 1HB LYS 85 2HB LYS 85 -5.911 -6.939 -22.117 722 2HB LYS 85 1HB LYS 85 -7.619 -7.251 -22.436 723 1HG LYS 85 2HG LYS 85 -7.938 -5.016 -23.294 724 2HG LYS 85 1HG LYS 85 -6.318 -4.537 -22.788 725 1HD LYS 85 2HD LYS 85 -5.279 -5.886 -24.430 726 2HD LYS 85 1HD LYS 85 -6.747 -6.825 -24.707 727 1HE LYS 85 2HE LYS 85 -6.564 -3.861 -25.291 728 2HE LYS 85 1HE LYS 85 -6.207 -5.097 -26.497 729 1HZ LYS 85 1HZ LYS 85 -8.419 -4.775 -26.869 730 2HZ LYS 85 2HZ LYS 85 -8.764 -4.397 -25.249 731 3HZ LYS 85 3HZ LYS 85 -8.509 -6.013 -25.713 732 H THR 86 H THR 86 -6.003 -6.278 -18.557 733 HA THR 86 HA THR 86 -4.096 -4.044 -19.132 734 HB THR 86 HB THR 86 -4.062 -3.694 -16.623 735 HG1 THR 86 HG1 THR 86 -6.540 -4.831 -16.364 736 1HG2 THR 86 1HG2 THR 86 -5.595 -2.057 -16.920 737 2HG2 THR 86 2HG2 THR 86 -6.878 -3.211 -17.283 738 3HG2 THR 86 3HG2 THR 86 -5.767 -2.698 -18.554 739 H ARG 87 H ARG 87 -2.121 -4.311 -17.529 740 HA ARG 87 HA ARG 87 -1.249 -7.145 -17.801 741 1HB ARG 87 2HB ARG 87 0.219 -4.518 -17.598 742 2HB ARG 87 1HB ARG 87 1.047 -6.048 -17.307 743 1HG ARG 87 2HG ARG 87 1.323 -5.472 -19.646 744 2HG ARG 87 1HG ARG 87 0.221 -6.846 -19.542 745 1HD ARG 87 2HD ARG 87 -1.459 -5.667 -20.476 746 2HD ARG 87 1HD ARG 87 -1.224 -4.331 -19.350 747 HE ARG 87 HE ARG 87 0.201 -3.274 -20.950 748 1HH1 ARG 87 1HH2 ARG 87 -1.813 -4.262 -22.914 749 2HH1 ARG 87 2HH2 ARG 87 -0.824 -5.068 -24.085 750 1HH2 ARG 87 2HH1 ARG 87 1.946 -5.258 -22.007 751 2HH2 ARG 87 1HH1 ARG 87 1.306 -5.629 -23.573 752 H VAL 88 H VAL 88 -0.026 -8.101 -16.017 753 HA VAL 88 HA VAL 88 -1.076 -7.205 -13.387 754 HB VAL 88 HB VAL 88 0.552 -9.687 -13.617 755 1HG1 VAL 88 1HG1 VAL 88 -2.136 -9.799 -12.466 756 2HG1 VAL 88 2HG1 VAL 88 -1.147 -8.527 -11.750 757 3HG1 VAL 88 3HG1 VAL 88 -0.585 -10.199 -11.730 758 1HG2 VAL 88 1HG2 VAL 88 -0.608 -10.240 -15.538 759 2HG2 VAL 88 2HG2 VAL 88 -1.958 -9.171 -15.156 760 3HG2 VAL 88 3HG2 VAL 88 -1.811 -10.731 -14.346 761 H VAL 89 H VAL 89 0.239 -5.972 -12.157 762 HA VAL 89 HA VAL 89 3.043 -5.674 -12.875 763 HB VAL 89 HB VAL 89 1.450 -4.513 -10.581 764 1HG1 VAL 89 1HG1 VAL 89 3.739 -4.411 -9.935 765 2HG1 VAL 89 2HG1 VAL 89 3.395 -2.831 -10.640 766 3HG1 VAL 89 3HG1 VAL 89 4.263 -4.046 -11.579 767 1HG2 VAL 89 1HG2 VAL 89 2.393 -3.201 -13.141 768 2HG2 VAL 89 2HG2 VAL 89 1.275 -2.542 -11.946 769 3HG2 VAL 89 3HG2 VAL 89 0.785 -3.902 -12.957 770 H ARG 90 H ARG 90 1.247 -7.197 -10.210 771 HA ARG 90 HA ARG 90 3.168 -9.162 -9.662 772 1HB ARG 90 2HB ARG 90 4.038 -6.576 -8.791 773 2HB ARG 90 1HB ARG 90 3.715 -7.563 -7.365 774 1HG ARG 90 2HG ARG 90 5.173 -8.894 -9.588 775 2HG ARG 90 1HG ARG 90 6.061 -7.656 -8.698 776 1HD ARG 90 2HD ARG 90 4.868 -9.040 -6.655 777 2HD ARG 90 1HD ARG 90 5.173 -10.329 -7.820 778 HE ARG 90 HE ARG 90 7.385 -8.487 -7.036 779 1HH1 ARG 90 2HH1 ARG 90 6.477 -10.917 -5.277 780 2HH1 ARG 90 1HH1 ARG 90 7.680 -12.074 -5.740 781 1HH2 ARG 90 1HH2 ARG 90 8.721 -10.276 -8.517 782 2HH2 ARG 90 2HH2 ARG 90 8.947 -11.713 -7.575 783 H ALA 91 H ALA 91 1.530 -10.490 -8.979 784 HA ALA 91 HA ALA 91 -0.455 -9.521 -7.025 785 1HB ALA 91 1HB ALA 91 -1.612 -10.954 -8.377 786 2HB ALA 91 2HB ALA 91 -0.970 -12.183 -7.290 787 3HB ALA 91 3HB ALA 91 -0.165 -11.857 -8.825 788 H ASP 92 H ASP 92 -0.734 -10.559 -4.932 789 HA ASP 92 HA ASP 92 1.195 -12.497 -3.962 790 1HB ASP 92 2HB ASP 92 1.655 -9.584 -3.516 791 2HB ASP 92 1HB ASP 92 1.943 -10.667 -2.154 792 H GLY 93 H GLY 93 -1.483 -12.722 -3.857 793 1HA GLY 93 2HA GLY 93 -2.633 -13.587 -1.803 794 2HA GLY 93 1HA GLY 93 -2.138 -12.094 -1.005 795 H LEU 94 H LEU 94 -4.438 -11.746 -0.558 796 HA LEU 94 HA LEU 94 -6.442 -11.513 -2.562 797 1HB LEU 94 2HB LEU 94 -7.107 -11.575 -0.254 798 2HB LEU 94 1HB LEU 94 -6.120 -10.164 0.130 799 HG LEU 94 HG LEU 94 -8.278 -9.943 -1.950 800 1HD1 LEU 94 1HD1 LEU 94 -9.937 -10.203 -0.452 801 2HD1 LEU 94 2HD1 LEU 94 -9.192 -9.012 0.614 802 3HD1 LEU 94 3HD1 LEU 94 -8.748 -10.713 0.745 803 1HD2 LEU 94 1HD2 LEU 94 -7.637 -7.783 -1.863 804 2HD2 LEU 94 2HD2 LEU 94 -6.393 -8.218 -0.690 805 3HD2 LEU 94 3HD2 LEU 94 -7.995 -7.730 -0.137 806 H TYR 95 H TYR 95 -3.753 -9.485 -1.823 807 HA TYR 95 HA TYR 95 -4.968 -7.254 -3.389 808 1HB TYR 95 2HB TYR 95 -2.591 -7.323 -1.509 809 2HB TYR 95 1HB TYR 95 -3.039 -5.916 -2.472 810 HD1 TYR 95 HD1 TYR 95 -5.583 -5.192 -2.286 811 HD2 TYR 95 HD2 TYR 95 -3.485 -7.537 0.640 812 HE1 TYR 95 HE1 TYR 95 -7.250 -4.538 -0.567 813 HE2 TYR 95 HE2 TYR 95 -5.150 -6.884 2.359 814 HH TYR 95 HH TYR 95 -6.779 -5.249 2.809 815 H VAL 96 H VAL 96 -4.127 -6.747 -5.371 816 HA VAL 96 HA VAL 96 -1.517 -7.973 -6.142 817 HB VAL 96 HB VAL 96 -4.096 -8.005 -7.737 818 1HG1 VAL 96 1HG1 VAL 96 -2.803 -9.012 -9.539 819 2HG1 VAL 96 2HG1 VAL 96 -1.335 -8.945 -8.566 820 3HG1 VAL 96 3HG1 VAL 96 -2.088 -7.453 -9.127 821 1HG2 VAL 96 1HG2 VAL 96 -2.339 -10.132 -6.489 822 2HG2 VAL 96 2HG2 VAL 96 -3.531 -10.502 -7.736 823 3HG2 VAL 96 3HG2 VAL 96 -4.050 -9.829 -6.190 824 H ASP 97 H ASP 97 -0.461 -6.812 -7.924 825 HA ASP 97 HA ASP 97 -1.226 -3.936 -7.931 826 1HB ASP 97 2HB ASP 97 1.318 -5.354 -8.785 827 2HB ASP 97 1HB ASP 97 1.063 -3.612 -8.905 828 H LEU 98 H LEU 98 -1.404 -2.800 -9.981 829 HA LEU 98 HA LEU 98 -1.597 -4.547 -12.384 830 1HB LEU 98 2HB LEU 98 -3.833 -3.751 -10.931 831 2HB LEU 98 1HB LEU 98 -3.758 -2.584 -12.250 832 HG LEU 98 HG LEU 98 -5.082 -4.660 -12.791 833 1HD1 LEU 98 1HD1 LEU 98 -2.660 -3.791 -14.338 834 2HD1 LEU 98 2HD1 LEU 98 -4.362 -3.539 -14.709 835 3HD1 LEU 98 3HD1 LEU 98 -3.635 -5.129 -14.939 836 1HD2 LEU 98 1HD2 LEU 98 -3.216 -6.042 -11.489 837 2HD2 LEU 98 2HD2 LEU 98 -2.480 -6.106 -13.088 838 3HD2 LEU 98 3HD2 LEU 98 -4.097 -6.762 -12.838 839 H ARG 99 H ARG 99 -0.836 -3.584 -14.195 840 HA ARG 99 HA ARG 99 -0.566 -0.607 -14.211 841 1HB ARG 99 2HB ARG 99 1.660 -1.376 -13.761 842 2HB ARG 99 1HB ARG 99 1.519 -2.677 -14.944 843 1HG ARG 99 2HG ARG 99 1.703 -1.223 -16.767 844 2HG ARG 99 1HG ARG 99 1.190 0.178 -15.825 845 1HD ARG 99 2HD ARG 99 3.418 -0.449 -14.456 846 2HD ARG 99 1HD ARG 99 3.880 -1.081 -16.036 847 HE ARG 99 HE ARG 99 2.801 1.558 -16.345 848 1HH1 ARG 99 1HH2 ARG 99 5.309 0.666 -17.665 849 2HH1 ARG 99 2HH2 ARG 99 6.522 1.577 -16.828 850 1HH2 ARG 99 2HH1 ARG 99 4.456 2.389 -14.166 851 2HH2 ARG 99 1HH1 ARG 99 6.038 2.554 -14.850 852 H ARG 100 H ARG 100 -1.354 0.279 -16.090 853 HA ARG 100 HA ARG 100 -2.135 -1.627 -18.245 854 1HB ARG 100 2HB ARG 100 -3.642 0.275 -17.003 855 2HB ARG 100 1HB ARG 100 -3.049 1.186 -18.393 856 1HG ARG 100 2HG ARG 100 -3.821 -1.432 -19.277 857 2HG ARG 100 1HG ARG 100 -5.145 -0.739 -18.340 858 1HD ARG 100 2HD ARG 100 -5.687 0.422 -20.201 859 2HD ARG 100 1HD ARG 100 -4.246 1.391 -19.895 860 HE ARG 100 HE ARG 100 -3.052 -0.416 -21.326 861 1HH1 ARG 100 2HH1 ARG 100 -4.896 1.739 -22.656 862 2HH1 ARG 100 1HH1 ARG 100 -5.659 0.762 -23.865 863 1HH2 ARG 100 1HH2 ARG 100 -4.674 -2.240 -22.437 864 2HH2 ARG 100 2HH2 ARG 100 -5.534 -1.492 -23.740 865 H PHE 101 H PHE 101 -1.553 -1.191 -20.422 866 HA PHE 101 HA PHE 101 0.207 1.122 -20.962 867 1HB PHE 101 2HB PHE 101 1.440 -1.152 -20.165 868 2HB PHE 101 1HB PHE 101 1.303 -1.478 -21.893 869 HD1 PHE 101 HD1 PHE 101 2.948 0.513 -19.326 870 HD2 PHE 101 HD2 PHE 101 2.252 0.146 -23.551 871 HE1 PHE 101 HE1 PHE 101 4.844 2.051 -19.771 872 HE2 PHE 101 HE2 PHE 101 4.148 1.685 -23.996 873 HZ PHE 101 HZ PHE 101 5.443 2.636 -22.107 874 H PHE 102 HN PHE 102 0.577 1.392 -23.301 875 HA PHE 102 HA PHE 102 -1.743 0.415 -24.843 876 1HB PHE 102 2HB PHE 102 -0.604 2.839 -24.798 877 2HB PHE 102 1HB PHE 102 0.363 2.125 -26.088 878 HD1 PHE 102 HD1 PHE 102 -0.431 2.647 -28.212 879 HD2 PHE 102 HD2 PHE 102 -3.244 1.932 -25.040 880 HE1 PHE 102 HE1 PHE 102 -2.308 2.977 -29.802 881 HE2 PHE 102 HE2 PHE 102 -5.119 2.262 -26.630 882 HZ PHE 102 HZ PHE 102 -4.652 2.784 -29.010 Start of MODEL 7 1 1H MET 1 1H MET 1 -21.632 -63.241 -31.953 2 2H MET 1 2H MET 1 -23.330 -63.210 -32.016 3 3H MET 1 3H MET 1 -22.539 -63.998 -30.736 4 HA MET 1 HA MET 1 -22.904 -61.122 -31.214 5 1HB MET 1 2HB MET 1 -23.016 -62.929 -28.778 6 2HB MET 1 1HB MET 1 -23.344 -61.195 -28.764 7 1HG MET 1 2HG MET 1 -24.931 -62.179 -30.843 8 2HG MET 1 1HG MET 1 -25.080 -63.390 -29.571 9 1HE MET 1 1HE MET 1 -28.207 -60.909 -29.551 10 2HE MET 1 2HE MET 1 -27.784 -62.619 -29.576 11 3HE MET 1 3HE MET 1 -27.225 -61.561 -30.870 12 H THR 2 H THR 2 -21.477 -59.631 -30.121 13 HA THR 2 HA THR 2 -18.834 -60.809 -29.362 14 HB THR 2 HB THR 2 -17.689 -59.037 -30.503 15 HG1 THR 2 HG1 THR 2 -18.634 -57.196 -30.729 16 1HG2 THR 2 1HG2 THR 2 -18.380 -59.378 -32.810 17 2HG2 THR 2 2HG2 THR 2 -19.979 -59.906 -32.287 18 3HG2 THR 2 3HG2 THR 2 -18.562 -60.894 -31.930 19 H VAL 3 H VAL 3 -21.050 -60.048 -27.624 20 HA VAL 3 HA VAL 3 -19.566 -58.315 -25.808 21 HB VAL 3 HB VAL 3 -20.577 -56.599 -27.234 22 1HG1 VAL 3 1HG1 VAL 3 -22.521 -58.321 -27.792 23 2HG1 VAL 3 2HG1 VAL 3 -22.806 -56.583 -27.873 24 3HG1 VAL 3 3HG1 VAL 3 -23.327 -57.496 -26.457 25 1HG2 VAL 3 1HG2 VAL 3 -20.529 -56.420 -24.658 26 2HG2 VAL 3 2HG2 VAL 3 -22.260 -56.750 -24.728 27 3HG2 VAL 3 3HG2 VAL 3 -21.602 -55.317 -25.518 28 H ILE 4 H ILE 4 -19.805 -59.958 -24.268 29 HA ILE 4 HA ILE 4 -22.226 -61.383 -23.755 30 HB ILE 4 HB ILE 4 -21.176 -62.090 -21.689 31 1HG1 ILE 4 2HG1 ILE 4 -18.767 -60.750 -21.487 32 2HG1 ILE 4 1HG1 ILE 4 -19.880 -59.464 -21.954 33 1HG2 ILE 4 1HG2 ILE 4 -18.644 -62.159 -22.828 34 2HG2 ILE 4 2HG2 ILE 4 -19.711 -61.971 -24.220 35 3HG2 ILE 4 3HG2 ILE 4 -19.933 -63.329 -23.116 36 1HD1 ILE 4 1HD1 ILE 4 -21.437 -60.429 -20.118 37 2HD1 ILE 4 2HD1 ILE 4 -20.034 -59.494 -19.601 38 3HD1 ILE 4 3HD1 ILE 4 -19.993 -61.256 -19.532 39 H LYS 5 H LYS 5 -23.702 -61.105 -21.925 40 HA LYS 5 HA LYS 5 -25.241 -59.731 -20.786 41 1HB LYS 5 2HB LYS 5 -23.257 -59.833 -19.229 42 2HB LYS 5 1HB LYS 5 -22.705 -58.309 -19.925 43 1HG LYS 5 2HG LYS 5 -23.926 -57.550 -18.092 44 2HG LYS 5 1HG LYS 5 -25.150 -57.504 -19.362 45 1HD LYS 5 2HD LYS 5 -26.233 -59.411 -18.578 46 2HD LYS 5 1HD LYS 5 -24.791 -60.019 -17.765 47 1HE LYS 5 2HE LYS 5 -25.949 -59.246 -15.925 48 2HE LYS 5 1HE LYS 5 -25.092 -57.767 -16.361 49 1HZ LYS 5 1HZ LYS 5 -27.179 -57.448 -17.883 50 2HZ LYS 5 2HZ LYS 5 -27.216 -56.996 -16.246 51 3HZ LYS 5 3HZ LYS 5 -27.911 -58.465 -16.741 52 HA PRO 6 HA PRO 6 -25.075 -56.385 -23.917 53 1HB PRO 6 2HB PRO 6 -27.638 -56.820 -24.811 54 2HB PRO 6 1HB PRO 6 -26.219 -57.662 -25.458 55 1HG PRO 6 2HG PRO 6 -28.337 -58.690 -23.626 56 2HG PRO 6 1HG PRO 6 -27.319 -59.577 -24.773 57 1HD PRO 6 2HD PRO 6 -26.938 -59.457 -21.973 58 2HD PRO 6 1HD PRO 6 -25.754 -60.040 -23.162 59 H SER 7 H SER 7 -25.386 -54.420 -22.917 60 HA SER 7 HA SER 7 -27.868 -53.317 -22.257 61 1HB SER 7 2HB SER 7 -27.237 -53.512 -19.586 62 2HB SER 7 1HB SER 7 -28.455 -54.487 -20.406 63 HG SER 7 HG SER 7 -26.242 -55.306 -19.242 64 H SER 8 H SER 8 -27.660 -51.230 -21.191 65 HA SER 8 HA SER 8 -25.096 -50.270 -20.247 66 1HB SER 8 2HB SER 8 -24.681 -48.667 -22.085 67 2HB SER 8 1HB SER 8 -24.604 -50.329 -22.664 68 HG SER 8 HG SER 8 -26.819 -48.554 -22.841 69 H ARG 9 H ARG 9 -25.413 -48.367 -19.089 70 HA ARG 9 HA ARG 9 -27.524 -46.492 -19.620 71 1HB ARG 9 2HB ARG 9 -29.037 -48.204 -18.859 72 2HB ARG 9 1HB ARG 9 -28.022 -48.555 -17.459 73 1HG ARG 9 2HG ARG 9 -28.739 -46.708 -16.302 74 2HG ARG 9 1HG ARG 9 -28.946 -45.744 -17.765 75 1HD ARG 9 2HD ARG 9 -30.760 -48.071 -17.524 76 2HD ARG 9 1HD ARG 9 -31.020 -46.787 -16.342 77 HE ARG 9 HE ARG 9 -30.895 -46.117 -19.246 78 1HH1 ARG 9 2HH1 ARG 9 -31.557 -44.234 -16.880 79 2HH1 ARG 9 1HH1 ARG 9 -33.273 -44.095 -17.066 80 1HH2 ARG 9 1HH2 ARG 9 -33.529 -46.815 -19.202 81 2HH2 ARG 9 2HH2 ARG 9 -34.389 -45.557 -18.379 82 HA PRO 10 HA PRO 10 -24.174 -45.365 -16.580 83 1HB PRO 10 2HB PRO 10 -22.771 -43.713 -18.269 84 2HB PRO 10 1HB PRO 10 -22.435 -45.443 -18.091 85 1HG PRO 10 2HG PRO 10 -23.776 -44.014 -20.337 86 2HG PRO 10 1HG PRO 10 -22.891 -45.548 -20.353 87 1HD PRO 10 2HD PRO 10 -25.712 -45.250 -20.357 88 2HD PRO 10 1HD PRO 10 -24.816 -46.756 -20.072 89 H ARG 11 H ARG 11 -24.134 -43.342 -15.469 90 HA ARG 11 HA ARG 11 -25.545 -41.039 -16.676 91 1HB ARG 11 2HB ARG 11 -27.034 -42.733 -15.169 92 2HB ARG 11 1HB ARG 11 -26.397 -41.680 -13.906 93 1HG ARG 11 2HG ARG 11 -27.970 -40.853 -16.358 94 2HG ARG 11 1HG ARG 11 -28.462 -40.702 -14.672 95 1HD ARG 11 2HD ARG 11 -26.540 -39.156 -14.289 96 2HD ARG 11 1HD ARG 11 -26.163 -39.247 -16.009 97 HE ARG 11 HE ARG 11 -28.857 -38.300 -15.155 98 1HH1 ARG 11 1HH2 ARG 11 -27.101 -38.391 -17.864 99 2HH1 ARG 11 2HH2 ARG 11 -26.975 -36.684 -18.126 100 1HH2 ARG 11 2HH1 ARG 11 -28.142 -35.846 -14.969 101 2HH2 ARG 11 1HH1 ARG 11 -27.564 -35.242 -16.486 102 HA PRO 12 HA PRO 12 -21.941 -40.089 -13.880 103 1HB PRO 12 2HB PRO 12 -20.264 -39.165 -15.851 104 2HB PRO 12 1HB PRO 12 -20.315 -40.856 -15.324 105 1HG PRO 12 2HG PRO 12 -21.383 -39.641 -17.827 106 2HG PRO 12 1HG PRO 12 -20.856 -41.305 -17.524 107 1HD PRO 12 2HD PRO 12 -23.542 -40.397 -17.620 108 2HD PRO 12 1HD PRO 12 -22.988 -41.977 -17.022 109 H ARG 13 H ARG 13 -21.621 -37.982 -13.094 110 HA ARG 13 HA ARG 13 -23.062 -35.821 -14.558 111 1HB ARG 13 2HB ARG 13 -22.616 -36.469 -11.710 112 2HB ARG 13 1HB ARG 13 -22.445 -34.759 -12.110 113 1HG ARG 13 2HG ARG 13 -24.718 -35.630 -13.523 114 2HG ARG 13 1HG ARG 13 -24.859 -36.349 -11.918 115 1HD ARG 13 2HD ARG 13 -24.046 -33.476 -12.118 116 2HD ARG 13 1HD ARG 13 -25.740 -33.889 -12.380 117 HE ARG 13 HE ARG 13 -25.916 -34.334 -10.070 118 1HH1 ARG 13 1HH2 ARG 13 -23.845 -36.422 -9.835 119 2HH1 ARG 13 2HH2 ARG 13 -22.660 -35.681 -8.811 120 1HH2 ARG 13 2HH1 ARG 13 -23.866 -32.466 -9.295 121 2HH2 ARG 13 1HH1 ARG 13 -22.670 -33.441 -8.508 122 H LYS 14 H LYS 14 -20.757 -36.240 -15.801 123 HA LYS 14 HA LYS 14 -18.826 -35.103 -16.504 124 1HB LYS 14 2HB LYS 14 -20.299 -33.092 -15.763 125 2HB LYS 14 1HB LYS 14 -19.287 -33.079 -14.318 126 1HG LYS 14 2HG LYS 14 -17.312 -32.667 -15.571 127 2HG LYS 14 1HG LYS 14 -18.096 -33.093 -17.093 128 1HD LYS 14 2HD LYS 14 -19.713 -31.069 -16.206 129 2HD LYS 14 1HD LYS 14 -18.138 -30.544 -15.608 130 1HE LYS 14 2HE LYS 14 -17.966 -29.676 -17.723 131 2HE LYS 14 1HE LYS 14 -17.427 -31.313 -18.094 132 1HZ LYS 14 1HZ LYS 14 -19.849 -31.823 -18.497 133 2HZ LYS 14 2HZ LYS 14 -19.094 -30.825 -19.645 134 3HZ LYS 14 3HZ LYS 14 -20.121 -30.149 -18.471 135 H ASN 15 H ASN 15 -18.521 -37.234 -14.743 136 HA ASN 15 HA ASN 15 -16.965 -38.176 -13.262 137 1HB ASN 15 2HB ASN 15 -15.439 -35.703 -14.128 138 2HB ASN 15 1HB ASN 15 -14.735 -37.015 -13.184 139 1HD2 ASN 15 1HD2 ASN 15 -13.266 -37.566 -14.978 140 2HD2 ASN 15 2HD2 ASN 15 -13.846 -38.359 -16.362 141 H LYS 16 H LYS 16 -15.239 -36.990 -11.402 142 HA LYS 16 HA LYS 16 -16.770 -36.559 -9.156 143 1HB LYS 16 2HB LYS 16 -14.133 -35.276 -9.906 144 2HB LYS 16 1HB LYS 16 -14.845 -35.138 -8.298 145 1HG LYS 16 2HG LYS 16 -14.537 -37.383 -7.813 146 2HG LYS 16 1HG LYS 16 -14.594 -37.864 -9.510 147 1HD LYS 16 2HD LYS 16 -12.333 -38.005 -9.325 148 2HD LYS 16 1HD LYS 16 -12.379 -36.248 -9.477 149 1HE LYS 16 2HE LYS 16 -11.324 -36.227 -7.471 150 2HE LYS 16 1HE LYS 16 -12.907 -36.616 -6.797 151 1HZ LYS 16 1HZ LYS 16 -11.917 -38.441 -6.029 152 2HZ LYS 16 2HZ LYS 16 -10.568 -38.262 -7.045 153 3HZ LYS 16 3HZ LYS 16 -11.974 -39.020 -7.623 154 H ASN 17 H ASN 17 -15.299 -33.755 -10.841 155 HA ASN 17 HA ASN 17 -17.864 -32.294 -10.409 156 1HB ASN 17 2HB ASN 17 -15.221 -31.715 -9.246 157 2HB ASN 17 1HB ASN 17 -15.968 -30.333 -10.047 158 1HD2 ASN 17 1HD2 ASN 17 -18.703 -30.808 -9.512 159 2HD2 ASN 17 2HD2 ASN 17 -18.965 -30.740 -7.837 160 H ILE 18 H ILE 18 -14.865 -30.825 -11.486 161 HA ILE 18 HA ILE 18 -15.632 -31.075 -14.327 162 HB ILE 18 HB ILE 18 -16.912 -29.112 -13.504 163 1HG1 ILE 18 2HG1 ILE 18 -14.692 -27.913 -15.104 164 2HG1 ILE 18 1HG1 ILE 18 -15.542 -29.295 -15.798 165 1HG2 ILE 18 1HG2 ILE 18 -14.696 -28.681 -11.914 166 2HG2 ILE 18 2HG2 ILE 18 -15.994 -27.517 -12.179 167 3HG2 ILE 18 3HG2 ILE 18 -14.525 -27.436 -13.151 168 1HD1 ILE 18 1HD1 ILE 18 -17.043 -26.942 -14.647 169 2HD1 ILE 18 2HD1 ILE 18 -17.628 -28.174 -15.767 170 3HD1 ILE 18 3HD1 ILE 18 -16.485 -26.949 -16.320 171 H LYS 19 H LYS 19 -13.769 -31.400 -15.433 172 HA LYS 19 HA LYS 19 -11.402 -29.798 -15.028 173 1HB LYS 19 2HB LYS 19 -11.511 -31.596 -13.080 174 2HB LYS 19 1HB LYS 19 -10.909 -32.674 -14.339 175 1HG LYS 19 2HG LYS 19 -8.899 -31.538 -14.547 176 2HG LYS 19 1HG LYS 19 -9.585 -30.011 -13.989 177 1HD LYS 19 2HD LYS 19 -8.223 -30.759 -12.190 178 2HD LYS 19 1HD LYS 19 -9.872 -31.162 -11.709 179 1HE LYS 19 2HE LYS 19 -8.653 -33.140 -11.266 180 2HE LYS 19 1HE LYS 19 -9.426 -33.455 -12.819 181 1HZ LYS 19 1HZ LYS 19 -7.321 -33.998 -13.374 182 2HZ LYS 19 2HZ LYS 19 -6.618 -32.993 -12.200 183 3HZ LYS 19 3HZ LYS 19 -7.194 -32.331 -13.655 184 H VAL 20 H VAL 20 -13.076 -30.596 -17.223 185 HA VAL 20 HA VAL 20 -11.238 -32.369 -18.775 186 HB VAL 20 HB VAL 20 -14.113 -31.614 -19.381 187 1HG1 VAL 20 1HG1 VAL 20 -13.810 -33.734 -20.851 188 2HG1 VAL 20 2HG1 VAL 20 -12.082 -33.446 -20.650 189 3HG1 VAL 20 3HG1 VAL 20 -13.095 -32.225 -21.419 190 1HG2 VAL 20 1HG2 VAL 20 -14.736 -33.768 -18.523 191 2HG2 VAL 20 2HG2 VAL 20 -13.719 -33.023 -17.290 192 3HG2 VAL 20 3HG2 VAL 20 -13.052 -34.260 -18.355 193 H ASN 21 H ASN 21 -11.953 -29.153 -18.290 194 HA ASN 21 HA ASN 21 -11.446 -28.415 -21.131 195 1HB ASN 21 2HB ASN 21 -12.697 -27.042 -18.790 196 2HB ASN 21 1HB ASN 21 -11.881 -26.040 -19.991 197 1HD2 ASN 21 1HD2 ASN 21 -13.413 -25.268 -21.447 198 2HD2 ASN 21 2HD2 ASN 21 -14.692 -26.178 -22.092 199 H THR 22 H THR 22 -9.445 -29.420 -19.041 200 HA THR 22 HA THR 22 -7.454 -27.272 -19.538 201 HB THR 22 HB THR 22 -6.896 -26.933 -17.324 202 HG1 THR 22 HG1 THR 22 -8.042 -29.446 -16.688 203 1HG2 THR 22 1HG2 THR 22 -9.333 -26.375 -17.656 204 2HG2 THR 22 2HG2 THR 22 -8.893 -26.719 -15.983 205 3HG2 THR 22 3HG2 THR 22 -9.727 -27.939 -16.945 206 H TYR 23 H TYR 23 -5.312 -28.078 -19.698 207 HA TYR 23 HA TYR 23 -5.169 -31.033 -19.996 208 1HB TYR 23 2HB TYR 23 -3.625 -28.719 -21.117 209 2HB TYR 23 1HB TYR 23 -2.837 -30.292 -21.005 210 HD1 TYR 23 HD1 TYR 23 -6.428 -29.485 -21.649 211 HD2 TYR 23 HD2 TYR 23 -2.770 -31.098 -23.224 212 HE1 TYR 23 HE1 TYR 23 -7.635 -30.234 -23.683 213 HE2 TYR 23 HE2 TYR 23 -3.977 -31.847 -25.259 214 HH TYR 23 HH TYR 23 -7.494 -31.379 -25.585 215 H ARG 24 H ARG 24 -3.147 -32.097 -19.194 216 HA ARG 24 HA ARG 24 -2.179 -30.768 -16.694 217 1HB ARG 24 2HB ARG 24 -2.474 -33.737 -17.244 218 2HB ARG 24 1HB ARG 24 -1.937 -33.009 -15.729 219 1HG ARG 24 2HG ARG 24 -4.167 -33.250 -15.215 220 2HG ARG 24 1HG ARG 24 -4.251 -31.680 -16.015 221 1HD ARG 24 2HD ARG 24 -5.968 -33.035 -17.000 222 2HD ARG 24 1HD ARG 24 -4.667 -32.937 -18.186 223 HE ARG 24 HE ARG 24 -4.671 -35.285 -18.045 224 1HH1 ARG 24 1HH2 ARG 24 -6.650 -34.565 -15.552 225 2HH1 ARG 24 2HH2 ARG 24 -6.042 -35.745 -14.438 226 1HH2 ARG 24 2HH1 ARG 24 -3.256 -36.509 -16.356 227 2HH2 ARG 24 1HH1 ARG 24 -4.120 -36.844 -14.893 228 H THR 25 H THR 25 -0.699 -30.000 -18.707 229 HA THR 25 HA THR 25 1.828 -31.446 -18.343 230 HB THR 25 HB THR 25 1.696 -31.112 -21.146 231 HG1 THR 25 HG1 THR 25 -0.376 -32.826 -20.457 232 1HG2 THR 25 1HG2 THR 25 2.771 -32.882 -19.520 233 2HG2 THR 25 2HG2 THR 25 2.327 -33.351 -21.162 234 3HG2 THR 25 3HG2 THR 25 1.271 -33.763 -19.810 235 H SER 26 H SER 26 0.076 -28.875 -20.071 236 HA SER 26 HA SER 26 2.513 -27.167 -19.735 237 1HB SER 26 2HB SER 26 0.671 -26.241 -21.789 238 2HB SER 26 1HB SER 26 2.399 -26.561 -21.905 239 HG SER 26 HG SER 26 1.882 -28.322 -22.906 240 H ALA 27 H ALA 27 1.020 -27.073 -17.581 241 HA ALA 27 HA ALA 27 -1.288 -25.330 -17.740 242 1HB ALA 27 1HB ALA 27 -1.170 -26.769 -15.838 243 2HB ALA 27 2HB ALA 27 -0.892 -25.142 -15.219 244 3HB ALA 27 3HB ALA 27 0.468 -26.240 -15.451 245 H MET 28 H MET 28 -1.358 -23.128 -16.809 246 HA MET 28 HA MET 28 1.198 -21.674 -17.336 247 1HB MET 28 2HB MET 28 -1.618 -20.549 -17.299 248 2HB MET 28 1HB MET 28 -0.156 -19.733 -17.856 249 1HG MET 28 2HG MET 28 0.077 -21.246 -19.713 250 2HG MET 28 1HG MET 28 -1.195 -22.296 -19.088 251 1HE MET 28 1HE MET 28 -3.864 -21.839 -19.552 252 2HE MET 28 2HE MET 28 -2.678 -22.556 -20.639 253 3HE MET 28 3HE MET 28 -3.854 -21.404 -21.267 254 H ASP 29 H ASP 29 2.141 -20.604 -15.650 255 HA ASP 29 HA ASP 29 0.655 -20.558 -13.068 256 1HB ASP 29 2HB ASP 29 3.575 -19.903 -13.318 257 2HB ASP 29 1HB ASP 29 2.712 -20.656 -11.975 258 H LEU 30 H LEU 30 1.201 -18.571 -11.671 259 HA LEU 30 HA LEU 30 0.622 -16.177 -13.264 260 1HB LEU 30 2HB LEU 30 -0.060 -16.988 -10.721 261 2HB LEU 30 1HB LEU 30 1.209 -15.803 -10.405 262 HG LEU 30 HG LEU 30 -0.277 -14.566 -12.373 263 1HD1 LEU 30 1HD1 LEU 30 -1.914 -16.590 -11.759 264 2HD1 LEU 30 2HD1 LEU 30 -2.533 -14.979 -12.125 265 3HD1 LEU 30 3HD1 LEU 30 -2.361 -15.497 -10.448 266 1HD2 LEU 30 1HD2 LEU 30 0.161 -14.340 -9.485 267 2HD2 LEU 30 2HD2 LEU 30 -1.386 -13.658 -9.991 268 3HD2 LEU 30 3HD2 LEU 30 0.113 -13.074 -10.712 269 H SER 31 H SER 31 1.909 -14.134 -12.803 270 HA SER 31 HA SER 31 4.446 -13.981 -11.686 271 1HB SER 31 2HB SER 31 5.718 -14.276 -14.032 272 2HB SER 31 1HB SER 31 5.518 -15.611 -12.901 273 HG SER 31 HG SER 31 4.782 -15.690 -15.308 274 HA PRO 32 HA PRO 32 4.155 -9.971 -13.439 275 1HB PRO 32 2HB PRO 32 6.802 -9.231 -13.513 276 2HB PRO 32 1HB PRO 32 5.856 -9.334 -12.018 277 1HG PRO 32 2HG PRO 32 7.953 -11.190 -13.044 278 2HG PRO 32 1HG PRO 32 7.448 -10.880 -11.375 279 1HD PRO 32 2HD PRO 32 6.709 -13.118 -12.943 280 2HD PRO 32 1HD PRO 32 5.962 -12.625 -11.408 281 H GLY 33 H GLY 33 4.327 -8.842 -15.441 282 1HA GLY 33 2HA GLY 33 5.062 -8.469 -17.679 283 2HA GLY 33 1HA GLY 33 6.095 -9.895 -17.549 284 H SER 34 H SER 34 2.609 -9.653 -16.886 285 HA SER 34 HA SER 34 2.086 -11.342 -19.281 286 1HB SER 34 2HB SER 34 2.085 -12.296 -16.600 287 2HB SER 34 1HB SER 34 0.404 -12.213 -17.121 288 HG SER 34 HG SER 34 2.326 -13.953 -17.825 289 H VAL 35 H VAL 35 -0.362 -11.485 -19.656 290 HA VAL 35 HA VAL 35 -1.618 -8.887 -18.861 291 HB VAL 35 HB VAL 35 -2.826 -8.960 -20.997 292 1HG1 VAL 35 1HG1 VAL 35 -0.782 -7.792 -21.190 293 2HG1 VAL 35 2HG1 VAL 35 -0.735 -8.939 -22.529 294 3HG1 VAL 35 3HG1 VAL 35 0.174 -9.268 -21.054 295 1HG2 VAL 35 1HG2 VAL 35 -3.118 -10.943 -22.029 296 2HG2 VAL 35 2HG2 VAL 35 -2.009 -11.715 -20.896 297 3HG2 VAL 35 3HG2 VAL 35 -1.391 -10.992 -22.381 298 H HIS 36 H HIS 36 -4.098 -9.033 -18.910 299 HA HIS 36 HA HIS 36 -5.349 -11.624 -18.631 300 1HB HIS 36 2HB HIS 36 -3.946 -11.335 -16.483 301 2HB HIS 36 1HB HIS 36 -5.115 -10.091 -16.041 302 HD1 HIS 36 HD1 HIS 36 -5.396 -13.637 -17.456 303 HD2 HIS 36 HD2 HIS 36 -7.099 -11.225 -14.512 304 HE1 HIS 36 HE1 HIS 36 -7.156 -15.048 -16.304 305 H GLU 37 H GLU 37 -7.658 -11.373 -17.920 306 HA GLU 37 HA GLU 37 -8.654 -8.658 -18.666 307 1HB GLU 37 2HB GLU 37 -9.520 -10.307 -20.167 308 2HB GLU 37 1HB GLU 37 -9.891 -11.414 -18.846 309 1HG GLU 37 2HG GLU 37 -11.926 -10.490 -18.591 310 2HG GLU 37 1HG GLU 37 -11.206 -8.893 -18.378 311 H GLY 38 H GLY 38 -9.554 -7.462 -17.047 312 1HA GLY 38 2HA GLY 38 -10.836 -8.891 -14.773 313 2HA GLY 38 1HA GLY 38 -9.570 -7.714 -14.418 314 H ILE 39 H ILE 39 -11.888 -7.101 -13.285 315 HA ILE 39 HA ILE 39 -13.393 -5.307 -15.116 316 HB ILE 39 HB ILE 39 -13.988 -5.864 -12.201 317 1HG1 ILE 39 2HG1 ILE 39 -15.515 -7.315 -14.280 318 2HG1 ILE 39 1HG1 ILE 39 -13.847 -7.850 -14.076 319 1HG2 ILE 39 1HG2 ILE 39 -16.332 -5.377 -13.070 320 2HG2 ILE 39 2HG2 ILE 39 -15.574 -4.854 -14.574 321 3HG2 ILE 39 3HG2 ILE 39 -15.226 -4.003 -13.069 322 1HD1 ILE 39 1HD1 ILE 39 -14.853 -9.145 -12.451 323 2HD1 ILE 39 2HD1 ILE 39 -16.121 -7.958 -12.143 324 3HD1 ILE 39 3HD1 ILE 39 -14.500 -7.706 -11.495 325 H VAL 40 H VAL 40 -13.705 -3.050 -14.496 326 HA VAL 40 HA VAL 40 -11.342 -2.003 -13.027 327 HB VAL 40 HB VAL 40 -13.311 -0.733 -14.941 328 1HG1 VAL 40 1HG1 VAL 40 -11.152 0.538 -13.238 329 2HG1 VAL 40 2HG1 VAL 40 -12.866 0.949 -13.277 330 3HG1 VAL 40 3HG1 VAL 40 -11.840 1.316 -14.663 331 1HG2 VAL 40 1HG2 VAL 40 -11.713 -1.737 -16.270 332 2HG2 VAL 40 2HG2 VAL 40 -10.478 -1.677 -15.012 333 3HG2 VAL 40 3HG2 VAL 40 -10.872 -0.224 -15.931 334 H TYR 41 H TYR 41 -11.644 -0.264 -11.478 335 HA TYR 41 HA TYR 41 -14.349 0.212 -10.426 336 1HB TYR 41 2HB TYR 41 -12.503 -1.712 -9.219 337 2HB TYR 41 1HB TYR 41 -12.974 -0.438 -8.094 338 HD1 TYR 41 HD1 TYR 41 -13.944 -3.529 -9.565 339 HD2 TYR 41 HD2 TYR 41 -15.528 0.161 -8.033 340 HE1 TYR 41 HE1 TYR 41 -16.161 -4.604 -9.266 341 HE2 TYR 41 HE2 TYR 41 -17.743 -0.914 -7.733 342 HH TYR 41 HH TYR 41 -18.663 -3.182 -7.447 343 H PHE 42 H PHE 42 -14.427 2.189 -9.325 344 HA PHE 42 HA PHE 42 -11.870 3.716 -9.307 345 1HB PHE 42 2HB PHE 42 -14.118 4.488 -10.455 346 2HB PHE 42 1HB PHE 42 -14.552 4.971 -8.814 347 HD1 PHE 42 HD1 PHE 42 -11.992 5.393 -11.487 348 HD2 PHE 42 HD2 PHE 42 -13.596 6.899 -7.795 349 HE1 PHE 42 HE1 PHE 42 -10.602 7.436 -11.716 350 HE2 PHE 42 HE2 PHE 42 -12.205 8.940 -8.023 351 HZ PHE 42 HZ PHE 42 -10.708 9.210 -9.984 352 H LYS 43 H LYS 43 -10.896 4.085 -7.369 353 HA LYS 43 HA LYS 43 -12.260 4.853 -4.992 354 1HB LYS 43 2HB LYS 43 -12.393 2.056 -5.504 355 2HB LYS 43 1HB LYS 43 -11.267 2.289 -4.167 356 1HG LYS 43 2HG LYS 43 -13.617 3.997 -3.917 357 2HG LYS 43 1HG LYS 43 -14.050 2.288 -3.985 358 1HD LYS 43 2HD LYS 43 -11.723 2.932 -2.273 359 2HD LYS 43 1HD LYS 43 -13.272 3.552 -1.702 360 1HE LYS 43 2HE LYS 43 -13.619 0.855 -2.647 361 2HE LYS 43 1HE LYS 43 -12.294 0.901 -1.483 362 1HZ LYS 43 1HZ LYS 43 -15.080 1.835 -1.099 363 2HZ LYS 43 2HZ LYS 43 -13.819 2.229 -0.029 364 3HZ LYS 43 3HZ LYS 43 -14.270 0.607 -0.256 365 H ASP 44 H ASP 44 -10.762 5.209 -3.233 366 HA ASP 44 HA ASP 44 -8.638 5.521 -2.266 367 1HB ASP 44 2HB ASP 44 -8.326 3.201 -3.893 368 2HB ASP 44 1HB ASP 44 -6.919 4.232 -4.160 369 H GLY 45 H GLY 45 -9.735 6.698 -5.088 370 1HA GLY 45 2HA GLY 45 -9.115 8.800 -6.042 371 2HA GLY 45 1HA GLY 45 -7.555 8.682 -5.228 372 H ILE 46 H ILE 46 -7.410 5.799 -6.309 373 HA ILE 46 HA ILE 46 -6.441 6.595 -9.022 374 HB ILE 46 HB ILE 46 -4.901 4.676 -8.852 375 1HG1 ILE 46 2HG1 ILE 46 -6.061 4.334 -6.068 376 2HG1 ILE 46 1HG1 ILE 46 -6.404 3.270 -7.432 377 1HG2 ILE 46 1HG2 ILE 46 -3.690 6.417 -8.017 378 2HG2 ILE 46 2HG2 ILE 46 -3.878 5.561 -6.486 379 3HG2 ILE 46 3HG2 ILE 46 -4.963 6.892 -6.892 380 1HD1 ILE 46 1HD1 ILE 46 -3.612 3.465 -7.377 381 2HD1 ILE 46 2HD1 ILE 46 -4.576 2.088 -6.846 382 3HD1 ILE 46 3HD1 ILE 46 -4.081 3.319 -5.684 383 H PHE 47 H PHE 47 -6.198 3.584 -9.566 384 HA PHE 47 HA PHE 47 -9.110 3.147 -10.098 385 1HB PHE 47 2HB PHE 47 -6.683 2.454 -11.768 386 2HB PHE 47 1HB PHE 47 -8.287 1.789 -12.081 387 HD1 PHE 47 HD1 PHE 47 -10.240 3.504 -12.314 388 HD2 PHE 47 HD2 PHE 47 -6.082 4.535 -12.666 389 HE1 PHE 47 HE1 PHE 47 -10.857 5.572 -13.539 390 HE2 PHE 47 HE2 PHE 47 -6.699 6.603 -13.890 391 HZ PHE 47 HZ PHE 47 -9.087 7.122 -14.326 392 H LYS 48 H LYS 48 -9.579 0.717 -10.425 393 HA LYS 48 HA LYS 48 -7.808 -0.998 -8.770 394 1HB LYS 48 2HB LYS 48 -10.238 0.141 -7.826 395 2HB LYS 48 1HB LYS 48 -10.534 -1.578 -8.091 396 1HG LYS 48 2HG LYS 48 -8.652 -2.184 -6.697 397 2HG LYS 48 1HG LYS 48 -8.157 -0.498 -6.556 398 1HD LYS 48 2HD LYS 48 -10.916 -0.745 -5.778 399 2HD LYS 48 1HD LYS 48 -9.950 -1.912 -4.876 400 1HE LYS 48 2HE LYS 48 -9.010 0.933 -5.166 401 2HE LYS 48 1HE LYS 48 -10.191 0.507 -3.927 402 1HZ LYS 48 1HZ LYS 48 -7.380 -0.045 -4.037 403 2HZ LYS 48 2HZ LYS 48 -8.304 -1.433 -3.708 404 3HZ LYS 48 3HZ LYS 48 -8.435 -0.064 -2.709 405 H VAL 49 H VAL 49 -7.795 -3.116 -9.464 406 HA VAL 49 HA VAL 49 -9.674 -3.788 -11.693 407 HB VAL 49 HB VAL 49 -6.876 -4.859 -11.189 408 1HG1 VAL 49 1HG1 VAL 49 -7.158 -5.780 -13.494 409 2HG1 VAL 49 2HG1 VAL 49 -8.836 -5.238 -13.470 410 3HG1 VAL 49 3HG1 VAL 49 -8.294 -6.476 -12.338 411 1HG2 VAL 49 1HG2 VAL 49 -6.137 -3.015 -12.248 412 2HG2 VAL 49 2HG2 VAL 49 -7.789 -2.421 -12.409 413 3HG2 VAL 49 3HG2 VAL 49 -7.100 -3.462 -13.656 414 H ARG 50 H ARG 50 -11.255 -4.993 -10.666 415 HA ARG 50 HA ARG 50 -10.406 -6.984 -8.626 416 1HB ARG 50 2HB ARG 50 -12.303 -5.385 -8.162 417 2HB ARG 50 1HB ARG 50 -13.220 -6.202 -9.428 418 1HG ARG 50 2HG ARG 50 -13.762 -7.882 -8.032 419 2HG ARG 50 1HG ARG 50 -12.067 -8.142 -7.617 420 1HD ARG 50 2HD ARG 50 -12.377 -7.176 -5.610 421 2HD ARG 50 1HD ARG 50 -12.968 -5.706 -6.386 422 HE ARG 50 HE ARG 50 -14.611 -7.685 -5.090 423 1HH1 ARG 50 1HH2 ARG 50 -15.016 -4.684 -6.014 424 2HH1 ARG 50 2HH2 ARG 50 -16.456 -4.881 -6.955 425 1HH2 ARG 50 2HH1 ARG 50 -16.223 -8.338 -7.078 426 2HH2 ARG 50 1HH1 ARG 50 -17.141 -6.949 -7.555 427 H LEU 51 H LEU 51 -10.373 -9.135 -9.084 428 HA LEU 51 HA LEU 51 -11.276 -9.981 -11.782 429 1HB LEU 51 2HB LEU 51 -9.441 -11.125 -9.694 430 2HB LEU 51 1HB LEU 51 -10.138 -12.190 -10.914 431 HG LEU 51 HG LEU 51 -9.281 -10.633 -12.683 432 1HD1 LEU 51 1HD1 LEU 51 -7.419 -9.074 -11.849 433 2HD1 LEU 51 2HD1 LEU 51 -8.108 -9.292 -10.240 434 3HD1 LEU 51 3HD1 LEU 51 -9.076 -8.563 -11.523 435 1HD2 LEU 51 1HD2 LEU 51 -7.956 -12.577 -12.237 436 2HD2 LEU 51 2HD2 LEU 51 -7.344 -11.897 -10.728 437 3HD2 LEU 51 3HD2 LEU 51 -6.827 -11.223 -12.274 438 H LEU 52 H LEU 52 -13.546 -10.121 -11.490 439 HA LEU 52 HA LEU 52 -14.632 -11.664 -9.239 440 1HB LEU 52 2HB LEU 52 -15.704 -9.616 -10.498 441 2HB LEU 52 1HB LEU 52 -16.248 -10.847 -11.639 442 HG LEU 52 HG LEU 52 -17.914 -10.383 -9.828 443 1HD1 LEU 52 1HD1 LEU 52 -18.578 -12.572 -9.815 444 2HD1 LEU 52 2HD1 LEU 52 -17.008 -13.152 -9.260 445 3HD1 LEU 52 3HD1 LEU 52 -17.249 -12.753 -10.960 446 1HD2 LEU 52 1HD2 LEU 52 -16.212 -11.884 -7.892 447 2HD2 LEU 52 2HD2 LEU 52 -17.420 -10.635 -7.591 448 3HD2 LEU 52 3HD2 LEU 52 -15.812 -10.188 -8.162 449 H GLY 53 H GLY 53 -15.247 -13.795 -9.321 450 1HA GLY 53 2HA GLY 53 -15.975 -15.815 -10.398 451 2HA GLY 53 1HA GLY 53 -15.505 -15.128 -11.953 452 H TYR 54 H TYR 54 -12.967 -14.372 -10.083 453 HA TYR 54 HA TYR 54 -11.606 -16.993 -10.564 454 1HB TYR 54 2HB TYR 54 -11.073 -14.574 -11.847 455 2HB TYR 54 1HB TYR 54 -9.831 -14.677 -10.599 456 HD1 TYR 54 HD1 TYR 54 -11.329 -16.417 -13.515 457 HD2 TYR 54 HD2 TYR 54 -8.086 -16.325 -10.696 458 HE1 TYR 54 HE1 TYR 54 -10.103 -18.094 -14.872 459 HE2 TYR 54 HE2 TYR 54 -6.859 -18.002 -12.053 460 HH TYR 54 HH TYR 54 -7.413 -19.781 -13.715 461 H GLU 55 H GLU 55 -12.712 -16.624 -8.110 462 HA GLU 55 HA GLU 55 -12.038 -16.841 -5.858 463 1HB GLU 55 2HB GLU 55 -9.262 -15.960 -6.623 464 2HB GLU 55 1HB GLU 55 -9.757 -17.045 -5.323 465 1HG GLU 55 2HG GLU 55 -10.726 -18.273 -7.633 466 2HG GLU 55 1HG GLU 55 -9.140 -17.662 -8.106 467 H GLY 56 H GLY 56 -10.496 -15.237 -4.286 468 1HA GLY 56 2HA GLY 56 -11.897 -12.674 -4.515 469 2HA GLY 56 1HA GLY 56 -10.823 -13.155 -3.200 470 H HIS 57 H HIS 57 -9.401 -13.760 -6.206 471 HA HIS 57 HA HIS 57 -7.152 -12.197 -5.928 472 1HB HIS 57 2HB HIS 57 -8.404 -13.581 -8.077 473 2HB HIS 57 1HB HIS 57 -7.930 -11.994 -8.683 474 HD1 HIS 57 HD1 HIS 57 -5.935 -12.938 -10.049 475 HD2 HIS 57 HD2 HIS 57 -5.694 -13.746 -5.965 476 HE1 HIS 57 HE1 HIS 57 -3.580 -13.764 -9.620 477 H GLU 58 H GLU 58 -7.442 -10.134 -5.061 478 HA GLU 58 HA GLU 58 -9.062 -8.223 -6.690 479 1HB GLU 58 2HB GLU 58 -9.608 -8.600 -4.204 480 2HB GLU 58 1HB GLU 58 -8.098 -7.753 -3.866 481 1HG GLU 58 2HG GLU 58 -8.901 -5.824 -5.210 482 2HG GLU 58 1HG GLU 58 -10.431 -6.663 -5.468 483 H CYS 59 H CYS 59 -7.730 -7.160 -8.073 484 HA CYS 59 HA CYS 59 -4.988 -6.457 -7.140 485 1HB CYS 59 2HB CYS 59 -5.966 -6.148 -9.970 486 2HB CYS 59 1HB CYS 59 -4.320 -6.405 -9.391 487 HG CYS 59 HG CYS 59 -4.750 -8.808 -9.804 488 H ILE 60 H ILE 60 -4.206 -4.270 -7.954 489 HA ILE 60 HA ILE 60 -6.425 -2.268 -7.975 490 HB ILE 60 HB ILE 60 -4.537 -0.843 -6.731 491 1HG1 ILE 60 2HG1 ILE 60 -4.051 -3.590 -5.575 492 2HG1 ILE 60 1HG1 ILE 60 -3.031 -2.953 -6.865 493 1HG2 ILE 60 1HG2 ILE 60 -6.063 -0.898 -5.070 494 2HG2 ILE 60 2HG2 ILE 60 -5.763 -2.609 -4.765 495 3HG2 ILE 60 3HG2 ILE 60 -6.914 -2.123 -6.010 496 1HD1 ILE 60 1HD1 ILE 60 -3.560 -1.206 -4.495 497 2HD1 ILE 60 2HD1 ILE 60 -2.132 -1.294 -5.525 498 3HD1 ILE 60 3HD1 ILE 60 -2.420 -2.538 -4.309 499 H LEU 61 H LEU 61 -6.135 -0.606 -9.464 500 HA LEU 61 HA LEU 61 -3.763 -0.876 -11.234 501 1HB LEU 61 2HB LEU 61 -5.952 -0.912 -12.336 502 2HB LEU 61 1HB LEU 61 -6.364 0.639 -11.605 503 HG LEU 61 HG LEU 61 -4.338 1.620 -12.755 504 1HD1 LEU 61 1HD1 LEU 61 -3.047 0.381 -14.209 505 2HD1 LEU 61 2HD1 LEU 61 -4.371 -0.707 -14.624 506 3HD1 LEU 61 3HD1 LEU 61 -3.513 -0.904 -13.095 507 1HD2 LEU 61 1HD2 LEU 61 -6.255 2.207 -13.906 508 2HD2 LEU 61 2HD2 LEU 61 -6.759 0.533 -14.130 509 3HD2 LEU 61 3HD2 LEU 61 -5.486 1.214 -15.143 510 H LEU 62 H LEU 62 -2.092 0.467 -10.809 511 HA LEU 62 HA LEU 62 -2.751 3.215 -9.809 512 1HB LEU 62 2HB LEU 62 -0.109 2.133 -9.048 513 2HB LEU 62 1HB LEU 62 -1.262 3.061 -8.091 514 HG LEU 62 HG LEU 62 -2.655 0.777 -8.279 515 1HD1 LEU 62 1HD1 LEU 62 -0.034 0.120 -9.280 516 2HD1 LEU 62 2HD1 LEU 62 -1.445 -0.927 -9.115 517 3HD1 LEU 62 3HD1 LEU 62 -0.319 -0.747 -7.770 518 1HD2 LEU 62 1HD2 LEU 62 -0.904 2.015 -6.352 519 2HD2 LEU 62 2HD2 LEU 62 -0.777 0.261 -6.215 520 3HD2 LEU 62 3HD2 LEU 62 -2.349 1.047 -6.062 521 H ASP 63 H ASP 63 -0.499 1.179 -11.642 522 HA ASP 63 HA ASP 63 1.203 3.300 -12.537 523 1HB ASP 63 2HB ASP 63 0.704 0.486 -13.271 524 2HB ASP 63 1HB ASP 63 1.282 1.496 -14.597 525 H TYR 64 H TYR 64 -1.630 1.754 -14.091 526 HA TYR 64 HA TYR 64 -1.709 3.240 -16.457 527 1HB TYR 64 2HB TYR 64 -3.314 1.401 -15.763 528 2HB TYR 64 1HB TYR 64 -4.158 2.607 -14.790 529 HD1 TYR 64 HD1 TYR 64 -2.533 2.922 -18.146 530 HD2 TYR 64 HD2 TYR 64 -6.194 3.031 -15.897 531 HE1 TYR 64 HE1 TYR 64 -3.747 3.707 -20.161 532 HE2 TYR 64 HE2 TYR 64 -7.408 3.815 -17.914 533 HH TYR 64 HH TYR 64 -6.251 5.208 -20.327 534 H LEU 65 H LEU 65 -2.998 4.159 -13.262 535 HA LEU 65 HA LEU 65 -4.105 6.660 -14.003 536 1HB LEU 65 2HB LEU 65 -4.491 5.698 -11.790 537 2HB LEU 65 1HB LEU 65 -2.774 5.834 -11.405 538 HG LEU 65 HG LEU 65 -4.021 8.347 -12.316 539 1HD1 LEU 65 1HD1 LEU 65 -5.487 8.703 -10.570 540 2HD1 LEU 65 2HD1 LEU 65 -4.638 7.595 -9.492 541 3HD1 LEU 65 3HD1 LEU 65 -5.692 6.963 -10.756 542 1HD2 LEU 65 1HD2 LEU 65 -2.712 9.210 -10.397 543 2HD2 LEU 65 2HD2 LEU 65 -1.720 8.194 -11.443 544 3HD2 LEU 65 3HD2 LEU 65 -2.335 7.555 -9.918 545 H ASN 66 H ASN 66 -0.844 5.971 -12.689 546 HA ASN 66 HA ASN 66 0.209 8.572 -12.861 547 1HB ASN 66 2HB ASN 66 1.253 6.238 -12.075 548 2HB ASN 66 1HB ASN 66 1.960 6.296 -13.689 549 1HD2 ASN 66 1HD2 ASN 66 1.547 8.408 -10.789 550 2HD2 ASN 66 2HD2 ASN 66 3.038 9.197 -10.973 551 H TYR 67 H TYR 67 1.544 9.565 -14.542 552 HA TYR 67 HA TYR 67 2.105 10.082 -16.771 553 1HB TYR 67 2HB TYR 67 2.545 7.547 -16.868 554 2HB TYR 67 1HB TYR 67 0.937 7.415 -17.580 555 HD1 TYR 67 HD1 TYR 67 4.373 8.633 -18.066 556 HD2 TYR 67 HD2 TYR 67 0.438 8.381 -19.778 557 HE1 TYR 67 HE1 TYR 67 5.291 9.290 -20.276 558 HE2 TYR 67 HE2 TYR 67 1.357 9.037 -21.986 559 HH TYR 67 HH TYR 67 4.182 10.485 -22.445 560 H ARG 68 H ARG 68 0.754 11.670 -17.465 561 HA ARG 68 HA ARG 68 -1.947 10.851 -18.442 562 1HB ARG 68 2HB ARG 68 -1.357 12.590 -16.236 563 2HB ARG 68 1HB ARG 68 -2.079 13.546 -17.531 564 1HG ARG 68 2HG ARG 68 -4.002 12.106 -17.632 565 2HG ARG 68 1HG ARG 68 -3.247 10.928 -16.558 566 1HD ARG 68 2HD ARG 68 -4.165 13.727 -15.852 567 2HD ARG 68 1HD ARG 68 -4.805 12.205 -15.232 568 HE ARG 68 HE ARG 68 -2.071 13.240 -14.593 569 1HH1 ARG 68 1HH2 ARG 68 -3.847 10.457 -14.293 570 2HH1 ARG 68 2HH2 ARG 68 -3.800 10.380 -12.563 571 1HH2 ARG 68 2HH1 ARG 68 -2.458 13.555 -12.192 572 2HH2 ARG 68 1HH1 ARG 68 -3.015 12.134 -11.373 573 H GLN 69 H GLN 69 -2.696 13.415 -19.369 574 HA GLN 69 HA GLN 69 -0.655 14.727 -20.883 575 1HB GLN 69 2HB GLN 69 -1.255 12.234 -21.936 576 2HB GLN 69 1HB GLN 69 -2.265 13.323 -22.887 577 1HG GLN 69 2HG GLN 69 0.012 14.755 -22.891 578 2HG GLN 69 1HG GLN 69 0.702 13.139 -22.737 579 1HE2 GLN 69 1HE2 GLN 69 1.530 13.439 -25.006 580 2HE2 GLN 69 2HE2 GLN 69 0.473 13.197 -26.312 581 H ASP 70 H ASP 70 -2.679 15.770 -19.404 582 HA ASP 70 HA ASP 70 -4.553 17.190 -19.483 583 1HB ASP 70 2HB ASP 70 -2.894 18.399 -20.933 584 2HB ASP 70 1HB ASP 70 -3.611 17.606 -22.335 585 H THR 71 H THR 71 -6.272 15.691 -19.352 586 HA THR 71 HA THR 71 -7.704 15.261 -21.910 587 HB THR 71 HB THR 71 -7.815 12.890 -20.195 588 HG1 THR 71 HG1 THR 71 -5.679 13.278 -19.817 589 1HG2 THR 71 1HG2 THR 71 -7.611 11.763 -22.314 590 2HG2 THR 71 2HG2 THR 71 -6.976 13.217 -23.085 591 3HG2 THR 71 3HG2 THR 71 -8.660 13.159 -22.560 592 H LEU 72 H LEU 72 -9.902 15.473 -21.637 593 HA LEU 72 HA LEU 72 -10.946 16.526 -19.201 594 1HB LEU 72 2HB LEU 72 -11.946 15.859 -21.843 595 2HB LEU 72 1HB LEU 72 -13.114 15.412 -20.598 596 HG LEU 72 HG LEU 72 -11.786 18.068 -20.330 597 1HD1 LEU 72 1HD1 LEU 72 -13.113 19.140 -21.969 598 2HD1 LEU 72 2HD1 LEU 72 -14.156 17.731 -22.168 599 3HD1 LEU 72 3HD1 LEU 72 -12.506 17.701 -22.789 600 1HD2 LEU 72 1HD2 LEU 72 -13.379 17.350 -18.644 601 2HD2 LEU 72 2HD2 LEU 72 -14.574 16.960 -19.880 602 3HD2 LEU 72 3HD2 LEU 72 -14.125 18.640 -19.588 603 H ASP 73 H ASP 73 -10.785 13.237 -20.471 604 HA ASP 73 HA ASP 73 -11.373 11.186 -19.488 605 1HB ASP 73 2HB ASP 73 -9.937 12.755 -17.598 606 2HB ASP 73 1HB ASP 73 -11.233 11.940 -16.721 607 H ARG 74 H ARG 74 -13.511 13.255 -19.910 608 HA ARG 74 HA ARG 74 -15.344 12.984 -17.661 609 1HB ARG 74 2HB ARG 74 -15.518 14.953 -19.067 610 2HB ARG 74 1HB ARG 74 -15.744 13.955 -20.505 611 1HG ARG 74 2HG ARG 74 -17.961 13.952 -20.133 612 2HG ARG 74 1HG ARG 74 -17.686 13.130 -18.597 613 1HD ARG 74 2HD ARG 74 -17.068 16.000 -18.507 614 2HD ARG 74 1HD ARG 74 -18.760 15.658 -18.867 615 HE ARG 74 HE ARG 74 -18.318 14.011 -16.742 616 1HH1 ARG 74 2HH1 ARG 74 -16.344 16.672 -16.866 617 2HH1 ARG 74 1HH1 ARG 74 -16.954 17.436 -15.437 618 1HH2 ARG 74 1HH2 ARG 74 -19.638 15.265 -15.103 619 2HH2 ARG 74 2HH2 ARG 74 -18.820 16.639 -14.438 620 H LEU 75 H LEU 75 -15.035 11.488 -20.880 621 HA LEU 75 HA LEU 75 -17.392 9.827 -20.548 622 1HB LEU 75 2HB LEU 75 -15.071 9.238 -22.392 623 2HB LEU 75 1HB LEU 75 -16.770 8.819 -22.610 624 HG LEU 75 HG LEU 75 -16.609 11.648 -22.272 625 1HD1 LEU 75 1HD1 LEU 75 -14.421 10.429 -23.870 626 2HD1 LEU 75 2HD1 LEU 75 -14.484 11.993 -23.058 627 3HD1 LEU 75 3HD1 LEU 75 -15.272 11.780 -24.623 628 1HD2 LEU 75 1HD2 LEU 75 -17.495 9.651 -24.283 629 2HD2 LEU 75 2HD2 LEU 75 -17.200 11.279 -24.894 630 3HD2 LEU 75 3HD2 LEU 75 -18.370 11.020 -23.598 631 H LYS 76 H LYS 76 -13.947 9.455 -19.883 632 HA LYS 76 HA LYS 76 -13.896 6.644 -19.459 633 1HB LYS 76 2HB LYS 76 -11.938 8.348 -19.502 634 2HB LYS 76 1HB LYS 76 -12.291 8.574 -17.788 635 1HG LYS 76 2HG LYS 76 -11.174 6.686 -17.298 636 2HG LYS 76 1HG LYS 76 -12.270 5.765 -18.329 637 1HD LYS 76 2HD LYS 76 -10.586 7.119 -20.114 638 2HD LYS 76 1HD LYS 76 -9.519 6.554 -18.828 639 1HE LYS 76 2HE LYS 76 -10.414 4.274 -19.070 640 2HE LYS 76 1HE LYS 76 -11.504 4.830 -20.340 641 1HZ LYS 76 1HZ LYS 76 -9.075 5.722 -21.152 642 2HZ LYS 76 2HZ LYS 76 -9.854 4.324 -21.723 643 3HZ LYS 76 3HZ LYS 76 -8.707 4.211 -20.475 644 H GLU 77 H GLU 77 -15.145 9.249 -17.492 645 HA GLU 77 HA GLU 77 -15.175 7.952 -14.959 646 1HB GLU 77 2HB GLU 77 -17.305 9.832 -16.013 647 2HB GLU 77 1HB GLU 77 -16.854 9.564 -14.330 648 1HG GLU 77 2HG GLU 77 -14.452 10.279 -15.234 649 2HG GLU 77 1HG GLU 77 -15.423 11.106 -16.452 650 H ARG 78 H ARG 78 -17.689 8.037 -17.505 651 HA ARG 78 HA ARG 78 -19.377 6.147 -16.067 652 1HB ARG 78 2HB ARG 78 -19.618 7.859 -18.355 653 2HB ARG 78 1HB ARG 78 -20.076 6.221 -18.826 654 1HG ARG 78 2HG ARG 78 -22.087 6.701 -17.901 655 2HG ARG 78 1HG ARG 78 -21.273 6.490 -16.351 656 1HD ARG 78 2HD ARG 78 -22.169 8.619 -16.085 657 2HD ARG 78 1HD ARG 78 -20.571 9.008 -16.724 658 HE ARG 78 HE ARG 78 -22.235 8.733 -18.965 659 1HH1 ARG 78 1HH2 ARG 78 -21.672 10.769 -16.256 660 2HH1 ARG 78 2HH2 ARG 78 -22.602 12.091 -16.880 661 1HH2 ARG 78 2HH1 ARG 78 -23.610 10.384 -19.725 662 2HH2 ARG 78 1HH1 ARG 78 -23.699 11.873 -18.844 663 H LEU 79 H LEU 79 -16.831 5.922 -18.448 664 HA LEU 79 HA LEU 79 -17.473 3.260 -19.374 665 1HB LEU 79 2HB LEU 79 -15.446 5.247 -19.864 666 2HB LEU 79 1HB LEU 79 -14.681 3.681 -19.595 667 HG LEU 79 HG LEU 79 -16.824 3.017 -21.197 668 1HD1 LEU 79 1HD1 LEU 79 -15.674 5.657 -22.157 669 2HD1 LEU 79 2HD1 LEU 79 -17.322 5.406 -21.580 670 3HD1 LEU 79 3HD1 LEU 79 -16.780 4.627 -23.067 671 1HD2 LEU 79 1HD2 LEU 79 -13.942 3.688 -21.827 672 2HD2 LEU 79 2HD2 LEU 79 -15.028 2.997 -23.033 673 3HD2 LEU 79 3HD2 LEU 79 -14.654 2.096 -21.564 674 H VAL 80 H VAL 80 -15.673 4.546 -16.652 675 HA VAL 80 HA VAL 80 -14.045 2.465 -15.859 676 HB VAL 80 HB VAL 80 -15.955 3.826 -13.948 677 1HG1 VAL 80 1HG1 VAL 80 -14.525 2.008 -13.048 678 2HG1 VAL 80 2HG1 VAL 80 -14.078 3.578 -12.382 679 3HG1 VAL 80 3HG1 VAL 80 -13.098 2.848 -13.654 680 1HG2 VAL 80 1HG2 VAL 80 -13.765 5.387 -13.854 681 2HG2 VAL 80 2HG2 VAL 80 -15.105 5.722 -14.949 682 3HG2 VAL 80 3HG2 VAL 80 -13.669 4.889 -15.543 683 H GLY 81 H GLY 81 -14.433 0.651 -14.341 684 1HA GLY 81 2HA GLY 81 -15.790 -1.084 -13.413 685 2HA GLY 81 1HA GLY 81 -17.198 -0.363 -14.191 686 H ARG 82 H ARG 82 -16.428 -0.233 -16.832 687 HA ARG 82 HA ARG 82 -17.044 -2.679 -17.935 688 1HB ARG 82 2HB ARG 82 -15.935 -0.240 -18.894 689 2HB ARG 82 1HB ARG 82 -14.978 -1.553 -19.579 690 1HG ARG 82 2HG ARG 82 -16.725 -1.367 -21.124 691 2HG ARG 82 1HG ARG 82 -17.306 -2.650 -20.063 692 1HD ARG 82 2HD ARG 82 -18.959 -1.345 -19.171 693 2HD ARG 82 1HD ARG 82 -17.975 0.117 -19.227 694 HE ARG 82 HE ARG 82 -18.452 0.064 -21.759 695 1HH1 ARG 82 1HH2 ARG 82 -20.076 -2.439 -21.742 696 2HH1 ARG 82 2HH2 ARG 82 -21.695 -1.828 -21.654 697 1HH2 ARG 82 2HH1 ARG 82 -20.728 1.338 -20.620 698 2HH2 ARG 82 1HH1 ARG 82 -22.064 0.310 -21.019 699 H VAL 83 H VAL 83 -15.619 -4.284 -19.081 700 HA VAL 83 HA VAL 83 -13.324 -4.988 -17.325 701 HB VAL 83 HB VAL 83 -13.501 -7.220 -18.329 702 1HG1 VAL 83 1HG1 VAL 83 -16.182 -7.384 -17.864 703 2HG1 VAL 83 2HG1 VAL 83 -15.808 -5.850 -17.079 704 3HG1 VAL 83 3HG1 VAL 83 -14.969 -7.320 -16.586 705 1HG2 VAL 83 1HG2 VAL 83 -15.605 -5.883 -20.056 706 2HG2 VAL 83 2HG2 VAL 83 -15.408 -7.632 -19.938 707 3HG2 VAL 83 3HG2 VAL 83 -14.107 -6.640 -20.598 708 H ILE 84 H ILE 84 -11.254 -5.463 -18.257 709 HA ILE 84 HA ILE 84 -10.853 -4.997 -21.133 710 HB ILE 84 HB ILE 84 -9.483 -3.064 -20.941 711 1HG1 ILE 84 2HG1 ILE 84 -8.179 -3.649 -18.988 712 2HG1 ILE 84 1HG1 ILE 84 -8.950 -2.097 -18.663 713 1HG2 ILE 84 1HG2 ILE 84 -11.912 -2.607 -20.759 714 2HG2 ILE 84 2HG2 ILE 84 -10.961 -1.418 -19.867 715 3HG2 ILE 84 3HG2 ILE 84 -11.791 -2.711 -19.003 716 1HD1 ILE 84 1HD1 ILE 84 -9.384 -3.292 -16.696 717 2HD1 ILE 84 2HD1 ILE 84 -9.630 -4.811 -17.558 718 3HD1 ILE 84 3HD1 ILE 84 -10.860 -3.549 -17.623 719 H LYS 85 H LYS 85 -8.339 -5.055 -21.554 720 HA LYS 85 HA LYS 85 -7.255 -7.280 -19.889 721 1HB LYS 85 2HB LYS 85 -6.323 -6.367 -22.627 722 2HB LYS 85 1HB LYS 85 -5.889 -7.862 -21.798 723 1HG LYS 85 2HG LYS 85 -8.717 -7.784 -21.858 724 2HG LYS 85 1HG LYS 85 -8.175 -7.333 -23.475 725 1HD LYS 85 2HD LYS 85 -7.101 -9.740 -21.985 726 2HD LYS 85 1HD LYS 85 -8.462 -9.826 -23.103 727 1HE LYS 85 2HE LYS 85 -7.134 -9.258 -24.960 728 2HE LYS 85 1HE LYS 85 -5.861 -8.570 -23.953 729 1HZ LYS 85 1HZ LYS 85 -5.881 -11.059 -23.052 730 2HZ LYS 85 2HZ LYS 85 -4.908 -10.557 -24.351 731 3HZ LYS 85 3HZ LYS 85 -6.385 -11.345 -24.646 732 H THR 86 H THR 86 -5.862 -6.544 -18.354 733 HA THR 86 HA THR 86 -4.033 -4.293 -19.100 734 HB THR 86 HB THR 86 -3.985 -3.738 -16.680 735 HG1 THR 86 HG1 THR 86 -6.092 -5.610 -16.448 736 1HG2 THR 86 1HG2 THR 86 -5.868 -2.459 -16.844 737 2HG2 THR 86 2HG2 THR 86 -6.894 -3.840 -17.232 738 3HG2 THR 86 3HG2 THR 86 -5.903 -3.096 -18.488 739 H ARG 87 H ARG 87 -1.988 -4.387 -17.551 740 HA ARG 87 HA ARG 87 -0.956 -7.171 -17.768 741 1HB ARG 87 2HB ARG 87 0.377 -4.466 -17.559 742 2HB ARG 87 1HB ARG 87 1.277 -5.967 -17.333 743 1HG ARG 87 2HG ARG 87 1.360 -5.122 -19.689 744 2HG ARG 87 1HG ARG 87 0.656 -6.733 -19.557 745 1HD ARG 87 2HD ARG 87 -1.524 -5.953 -19.929 746 2HD ARG 87 1HD ARG 87 -1.115 -4.302 -19.463 747 HE ARG 87 HE ARG 87 0.427 -4.844 -21.741 748 1HH1 ARG 87 1HH2 ARG 87 -2.694 -3.940 -20.744 749 2HH1 ARG 87 2HH2 ARG 87 -3.354 -3.865 -22.343 750 1HH2 ARG 87 2HH1 ARG 87 -0.499 -5.117 -23.865 751 2HH2 ARG 87 1HH1 ARG 87 -2.112 -4.534 -24.111 752 H VAL 88 H VAL 88 0.276 -8.058 -15.950 753 HA VAL 88 HA VAL 88 -0.829 -7.128 -13.357 754 HB VAL 88 HB VAL 88 0.805 -9.625 -13.812 755 1HG1 VAL 88 1HG1 VAL 88 0.341 -8.861 -11.484 756 2HG1 VAL 88 2HG1 VAL 88 -0.428 -10.406 -11.847 757 3HG1 VAL 88 3HG1 VAL 88 -1.386 -8.924 -11.834 758 1HG2 VAL 88 1HG2 VAL 88 -1.021 -9.671 -15.440 759 2HG2 VAL 88 2HG2 VAL 88 -2.180 -9.223 -14.188 760 3HG2 VAL 88 3HG2 VAL 88 -1.380 -10.794 -14.128 761 H VAL 89 H VAL 89 0.426 -5.940 -12.023 762 HA VAL 89 HA VAL 89 3.228 -5.497 -12.702 763 HB VAL 89 HB VAL 89 1.384 -4.430 -10.568 764 1HG1 VAL 89 1HG1 VAL 89 3.176 -4.004 -9.262 765 2HG1 VAL 89 2HG1 VAL 89 3.745 -2.915 -10.527 766 3HG1 VAL 89 3HG1 VAL 89 4.288 -4.593 -10.498 767 1HG2 VAL 89 1HG2 VAL 89 2.692 -3.424 -13.080 768 2HG2 VAL 89 2HG2 VAL 89 2.245 -2.280 -11.815 769 3HG2 VAL 89 3HG2 VAL 89 1.009 -3.285 -12.572 770 H ARG 90 H ARG 90 1.423 -7.348 -10.324 771 HA ARG 90 HA ARG 90 3.425 -9.196 -9.750 772 1HB ARG 90 2HB ARG 90 3.940 -6.614 -8.504 773 2HB ARG 90 1HB ARG 90 3.777 -7.890 -7.298 774 1HG ARG 90 2HG ARG 90 5.743 -8.832 -7.887 775 2HG ARG 90 1HG ARG 90 5.351 -8.749 -9.606 776 1HD ARG 90 2HD ARG 90 5.776 -6.129 -9.135 777 2HD ARG 90 1HD ARG 90 6.840 -6.813 -7.906 778 HE ARG 90 HE ARG 90 7.270 -8.136 -10.422 779 1HH1 ARG 90 1HH2 ARG 90 8.942 -6.475 -8.199 780 2HH1 ARG 90 2HH2 ARG 90 9.870 -5.497 -9.286 781 1HH2 ARG 90 2HH1 ARG 90 7.970 -6.318 -12.068 782 2HH2 ARG 90 1HH1 ARG 90 9.320 -5.408 -11.476 783 H ALA 91 H ALA 91 1.869 -10.685 -9.270 784 HA ALA 91 HA ALA 91 -0.283 -9.960 -7.361 785 1HB ALA 91 1HB ALA 91 -0.353 -12.699 -8.331 786 2HB ALA 91 2HB ALA 91 -0.208 -11.555 -9.666 787 3HB ALA 91 3HB ALA 91 -1.548 -11.417 -8.528 788 H ASP 92 H ASP 92 -0.293 -10.705 -5.283 789 HA ASP 92 HA ASP 92 1.073 -13.143 -4.492 790 1HB ASP 92 2HB ASP 92 2.731 -10.947 -4.668 791 2HB ASP 92 1HB ASP 92 2.238 -10.907 -2.975 792 H GLY 93 H GLY 93 -1.047 -13.538 -3.625 793 1HA GLY 93 2HA GLY 93 -2.037 -13.712 -1.369 794 2HA GLY 93 1HA GLY 93 -1.573 -12.031 -1.099 795 H LEU 94 H LEU 94 -3.888 -11.707 -0.553 796 HA LEU 94 HA LEU 94 -5.886 -12.021 -2.653 797 1HB LEU 94 2HB LEU 94 -5.854 -11.373 0.153 798 2HB LEU 94 1HB LEU 94 -6.792 -10.157 -0.716 799 HG LEU 94 HG LEU 94 -7.280 -12.953 -1.553 800 1HD1 LEU 94 1HD1 LEU 94 -8.433 -13.661 0.365 801 2HD1 LEU 94 2HD1 LEU 94 -8.535 -12.029 1.022 802 3HD1 LEU 94 3HD1 LEU 94 -6.999 -12.894 1.045 803 1HD2 LEU 94 1HD2 LEU 94 -8.581 -10.364 -1.514 804 2HD2 LEU 94 2HD2 LEU 94 -9.636 -11.590 -0.809 805 3HD2 LEU 94 3HD2 LEU 94 -9.004 -11.803 -2.442 806 H TYR 95 H TYR 95 -3.614 -9.572 -1.712 807 HA TYR 95 HA TYR 95 -4.995 -7.575 -3.446 808 1HB TYR 95 2HB TYR 95 -2.951 -7.375 -1.245 809 2HB TYR 95 1HB TYR 95 -3.095 -6.079 -2.432 810 HD1 TYR 95 HD1 TYR 95 -4.698 -7.799 0.379 811 HD2 TYR 95 HD2 TYR 95 -5.197 -4.791 -2.650 812 HE1 TYR 95 HE1 TYR 95 -6.675 -6.910 1.587 813 HE2 TYR 95 HE2 TYR 95 -7.174 -3.902 -1.442 814 HH TYR 95 HH TYR 95 -8.528 -4.148 0.295 815 H VAL 96 H VAL 96 -4.009 -6.865 -5.333 816 HA VAL 96 HA VAL 96 -1.257 -7.870 -5.902 817 HB VAL 96 HB VAL 96 -3.696 -8.143 -7.680 818 1HG1 VAL 96 1HG1 VAL 96 -1.932 -9.307 -9.186 819 2HG1 VAL 96 2HG1 VAL 96 -0.746 -8.396 -8.251 820 3HG1 VAL 96 3HG1 VAL 96 -1.978 -7.544 -9.181 821 1HG2 VAL 96 1HG2 VAL 96 -1.827 -10.105 -6.326 822 2HG2 VAL 96 2HG2 VAL 96 -2.945 -10.572 -7.607 823 3HG2 VAL 96 3HG2 VAL 96 -3.564 -9.934 -6.082 824 H ASP 97 H ASP 97 -0.238 -6.683 -7.735 825 HA ASP 97 HA ASP 97 -1.157 -3.853 -7.767 826 1HB ASP 97 2HB ASP 97 1.472 -5.218 -8.333 827 2HB ASP 97 1HB ASP 97 1.166 -3.586 -8.928 828 H LEU 98 H LEU 98 -1.427 -2.762 -9.824 829 HA LEU 98 HA LEU 98 -1.490 -4.563 -12.196 830 1HB LEU 98 2HB LEU 98 -3.774 -3.774 -10.789 831 2HB LEU 98 1HB LEU 98 -3.723 -2.698 -12.185 832 HG LEU 98 HG LEU 98 -4.953 -4.864 -12.593 833 1HD1 LEU 98 1HD1 LEU 98 -2.612 -3.879 -14.164 834 2HD1 LEU 98 2HD1 LEU 98 -4.317 -3.933 -14.608 835 3HD1 LEU 98 3HD1 LEU 98 -3.344 -5.403 -14.665 836 1HD2 LEU 98 1HD2 LEU 98 -2.284 -6.205 -12.775 837 2HD2 LEU 98 2HD2 LEU 98 -3.871 -6.916 -12.490 838 3HD2 LEU 98 3HD2 LEU 98 -3.036 -6.067 -11.188 839 H ARG 99 H ARG 99 -0.792 -3.627 -14.037 840 HA ARG 99 HA ARG 99 -0.657 -0.656 -14.179 841 1HB ARG 99 2HB ARG 99 1.574 -1.276 -13.516 842 2HB ARG 99 1HB ARG 99 1.614 -2.597 -14.685 843 1HG ARG 99 2HG ARG 99 1.037 0.091 -15.799 844 2HG ARG 99 1HG ARG 99 2.672 -0.149 -15.182 845 1HD ARG 99 2HD ARG 99 1.771 -2.442 -16.732 846 2HD ARG 99 1HD ARG 99 1.714 -0.956 -17.681 847 HE ARG 99 HE ARG 99 4.085 -2.328 -17.147 848 1HH1 ARG 99 2HH1 ARG 99 3.139 0.677 -18.081 849 2HH1 ARG 99 1HH1 ARG 99 4.493 1.538 -17.428 850 1HH2 ARG 99 1HH2 ARG 99 5.686 -1.175 -15.625 851 2HH2 ARG 99 2HH2 ARG 99 5.933 0.490 -16.037 852 H ARG 100 H ARG 100 -1.351 0.071 -16.148 853 HA ARG 100 HA ARG 100 -2.020 -1.954 -18.201 854 1HB ARG 100 2HB ARG 100 -3.419 0.195 -17.310 855 2HB ARG 100 1HB ARG 100 -2.600 0.913 -18.698 856 1HG ARG 100 2HG ARG 100 -3.410 -1.464 -19.762 857 2HG ARG 100 1HG ARG 100 -4.717 -1.150 -18.620 858 1HD ARG 100 2HD ARG 100 -4.684 1.262 -19.627 859 2HD ARG 100 1HD ARG 100 -3.829 0.505 -20.971 860 HE ARG 100 HE ARG 100 -5.816 -0.812 -21.435 861 1HH1 ARG 100 1HH2 ARG 100 -6.992 1.923 -21.267 862 2HH1 ARG 100 2HH2 ARG 100 -8.320 1.690 -20.180 863 1HH2 ARG 100 2HH1 ARG 100 -7.144 -1.342 -18.975 864 2HH2 ARG 100 1HH1 ARG 100 -8.406 -0.160 -18.881 865 H PHE 101 H PHE 101 -1.237 -1.792 -20.372 866 HA PHE 101 HA PHE 101 1.485 -0.869 -20.611 867 1HB PHE 101 2HB PHE 101 0.784 -2.743 -21.953 868 2HB PHE 101 1HB PHE 101 -0.532 -1.809 -22.667 869 HD1 PHE 101 HD1 PHE 101 2.985 -0.746 -22.004 870 HD2 PHE 101 HD2 PHE 101 0.023 -1.706 -24.966 871 HE1 PHE 101 HE1 PHE 101 4.513 0.049 -23.790 872 HE2 PHE 101 HE2 PHE 101 1.551 -0.911 -26.752 873 HZ PHE 101 HZ PHE 101 3.796 -0.033 -26.164 874 H PHE 102 HN PHE 102 1.583 1.379 -20.259 875 HA PHE 102 HA PHE 102 0.957 3.050 -22.535 876 1HB PHE 102 2HB PHE 102 -1.269 2.723 -21.185 877 2HB PHE 102 1HB PHE 102 -0.533 3.855 -20.051 878 HD1 PHE 102 HD1 PHE 102 -2.205 3.477 -23.235 879 HD2 PHE 102 HD2 PHE 102 0.274 6.108 -20.912 880 HE1 PHE 102 HE1 PHE 102 -2.829 5.369 -24.713 881 HE2 PHE 102 HE2 PHE 102 -0.349 8.001 -22.390 882 HZ PHE 102 HZ PHE 102 -1.902 7.631 -24.290 Start of MODEL 8 1 1H MET 1 1H MET 1 -49.027 -22.556 -25.147 2 2H MET 1 2H MET 1 -49.340 -20.887 -25.212 3 3H MET 1 3H MET 1 -48.352 -21.522 -23.984 4 HA MET 1 HA MET 1 -47.692 -20.794 -26.691 5 1HB MET 1 2HB MET 1 -46.286 -21.176 -24.050 6 2HB MET 1 1HB MET 1 -45.372 -20.902 -25.534 7 1HG MET 1 2HG MET 1 -47.660 -19.084 -24.829 8 2HG MET 1 1HG MET 1 -46.082 -18.842 -24.080 9 1HE MET 1 1HE MET 1 -47.492 -16.897 -27.549 10 2HE MET 1 2HE MET 1 -48.272 -17.669 -26.172 11 3HE MET 1 3HE MET 1 -48.061 -18.566 -27.673 12 H THR 2 H THR 2 -46.024 -21.956 -27.911 13 HA THR 2 HA THR 2 -45.521 -24.765 -27.176 14 HB THR 2 HB THR 2 -46.334 -25.009 -29.834 15 HG1 THR 2 HG1 THR 2 -47.546 -23.247 -29.950 16 1HG2 THR 2 1HG2 THR 2 -48.241 -25.611 -27.611 17 2HG2 THR 2 2HG2 THR 2 -46.667 -26.406 -27.604 18 3HG2 THR 2 3HG2 THR 2 -47.757 -26.620 -28.974 19 H VAL 3 H VAL 3 -43.571 -22.944 -27.254 20 HA VAL 3 HA VAL 3 -42.376 -22.966 -29.976 21 HB VAL 3 HB VAL 3 -40.816 -21.331 -29.132 22 1HG1 VAL 3 1HG1 VAL 3 -43.327 -20.733 -29.512 23 2HG1 VAL 3 2HG1 VAL 3 -42.299 -19.561 -28.686 24 3HG1 VAL 3 3HG1 VAL 3 -43.391 -20.587 -27.755 25 1HG2 VAL 3 1HG2 VAL 3 -42.004 -21.926 -26.401 26 2HG2 VAL 3 2HG2 VAL 3 -40.778 -20.705 -26.744 27 3HG2 VAL 3 3HG2 VAL 3 -40.400 -22.416 -26.949 28 H ILE 4 H ILE 4 -39.672 -22.987 -29.303 29 HA ILE 4 HA ILE 4 -39.373 -25.746 -28.189 30 HB ILE 4 HB ILE 4 -37.513 -24.314 -30.107 31 1HG1 ILE 4 2HG1 ILE 4 -39.578 -26.461 -30.692 32 2HG1 ILE 4 1HG1 ILE 4 -39.786 -24.751 -31.072 33 1HG2 ILE 4 1HG2 ILE 4 -37.745 -27.212 -29.237 34 2HG2 ILE 4 2HG2 ILE 4 -36.472 -26.091 -28.755 35 3HG2 ILE 4 3HG2 ILE 4 -36.611 -26.595 -30.439 36 1HD1 ILE 4 1HD1 ILE 4 -37.277 -25.365 -32.120 37 2HD1 ILE 4 2HD1 ILE 4 -38.772 -25.190 -33.041 38 3HD1 ILE 4 3HD1 ILE 4 -38.253 -26.785 -32.496 39 H LYS 5 H LYS 5 -39.272 -24.615 -26.035 40 HA LYS 5 HA LYS 5 -37.381 -22.706 -25.266 41 1HB LYS 5 2HB LYS 5 -38.832 -24.892 -23.918 42 2HB LYS 5 1HB LYS 5 -37.323 -24.433 -23.128 43 1HG LYS 5 2HG LYS 5 -38.506 -21.998 -23.828 44 2HG LYS 5 1HG LYS 5 -39.847 -22.987 -23.250 45 1HD LYS 5 2HD LYS 5 -37.453 -23.259 -21.588 46 2HD LYS 5 1HD LYS 5 -38.057 -21.603 -21.644 47 1HE LYS 5 2HE LYS 5 -40.399 -22.859 -21.316 48 2HE LYS 5 1HE LYS 5 -39.354 -24.057 -20.552 49 1HZ LYS 5 1HZ LYS 5 -38.372 -22.036 -19.340 50 2HZ LYS 5 2HZ LYS 5 -39.878 -22.634 -18.828 51 3HZ LYS 5 3HZ LYS 5 -39.799 -21.242 -19.798 52 HA PRO 6 HA PRO 6 -33.485 -24.639 -25.829 53 1HB PRO 6 2HB PRO 6 -32.036 -23.219 -23.970 54 2HB PRO 6 1HB PRO 6 -32.552 -22.552 -25.530 55 1HG PRO 6 2HG PRO 6 -33.645 -22.019 -22.806 56 2HG PRO 6 1HG PRO 6 -33.650 -20.980 -24.241 57 1HD PRO 6 2HD PRO 6 -35.846 -22.483 -23.286 58 2HD PRO 6 1HD PRO 6 -35.719 -21.731 -24.891 59 H SER 7 H SER 7 -34.434 -26.683 -24.808 60 HA SER 7 HA SER 7 -34.209 -27.237 -22.019 61 1HB SER 7 2HB SER 7 -33.686 -29.643 -23.432 62 2HB SER 7 1HB SER 7 -35.215 -29.117 -22.735 63 HG SER 7 HG SER 7 -34.920 -29.533 -25.172 64 H SER 8 H SER 8 -32.577 -28.720 -21.020 65 HA SER 8 HA SER 8 -29.860 -27.955 -21.937 66 1HB SER 8 2HB SER 8 -30.453 -27.564 -19.564 67 2HB SER 8 1HB SER 8 -30.771 -29.284 -19.365 68 HG SER 8 HG SER 8 -28.568 -28.308 -18.843 69 H ARG 9 H ARG 9 -31.654 -30.152 -23.106 70 HA ARG 9 HA ARG 9 -30.304 -32.642 -22.429 71 1HB ARG 9 2HB ARG 9 -32.648 -31.893 -23.836 72 2HB ARG 9 1HB ARG 9 -31.626 -32.764 -24.980 73 1HG ARG 9 2HG ARG 9 -32.067 -33.828 -22.196 74 2HG ARG 9 1HG ARG 9 -33.233 -34.152 -23.481 75 1HD ARG 9 2HD ARG 9 -30.843 -34.709 -24.726 76 2HD ARG 9 1HD ARG 9 -30.534 -35.255 -23.077 77 HE ARG 9 HE ARG 9 -32.943 -36.403 -23.541 78 1HH1 ARG 9 1HH2 ARG 9 -31.449 -35.736 -26.375 79 2HH1 ARG 9 2HH2 ARG 9 -31.123 -37.372 -26.840 80 1HH2 ARG 9 2HH1 ARG 9 -31.951 -38.699 -23.746 81 2HH2 ARG 9 1HH1 ARG 9 -31.405 -39.048 -25.352 82 HA PRO 10 HA PRO 10 -28.201 -31.942 -26.658 83 1HB PRO 10 2HB PRO 10 -28.654 -29.544 -27.926 84 2HB PRO 10 1HB PRO 10 -29.650 -30.989 -28.175 85 1HG PRO 10 2HG PRO 10 -30.284 -28.516 -26.635 86 2HG PRO 10 1HG PRO 10 -31.384 -29.663 -27.419 87 1HD PRO 10 2HD PRO 10 -30.813 -29.535 -24.649 88 2HD PRO 10 1HD PRO 10 -31.652 -30.860 -25.485 89 H ARG 11 H ARG 11 -26.052 -31.238 -26.781 90 HA ARG 11 HA ARG 11 -24.097 -30.147 -26.078 91 1HB ARG 11 2HB ARG 11 -25.145 -28.288 -27.357 92 2HB ARG 11 1HB ARG 11 -25.969 -27.767 -25.886 93 1HG ARG 11 2HG ARG 11 -24.134 -26.656 -25.208 94 2HG ARG 11 1HG ARG 11 -23.168 -28.127 -25.328 95 1HD ARG 11 2HD ARG 11 -23.833 -26.294 -27.653 96 2HD ARG 11 1HD ARG 11 -22.293 -26.320 -26.793 97 HE ARG 11 HE ARG 11 -22.713 -28.958 -27.618 98 1HH1 ARG 11 1HH2 ARG 11 -20.379 -27.364 -28.550 99 2HH1 ARG 11 2HH2 ARG 11 -20.650 -27.266 -30.258 100 1HH2 ARG 11 2HH1 ARG 11 -23.987 -28.182 -30.052 101 2HH2 ARG 11 1HH1 ARG 11 -22.691 -27.730 -31.108 102 HA PRO 12 HA PRO 12 -25.494 -30.446 -21.679 103 1HB PRO 12 2HB PRO 12 -24.003 -32.684 -21.103 104 2HB PRO 12 1HB PRO 12 -25.665 -32.744 -21.715 105 1HG PRO 12 2HG PRO 12 -23.115 -33.316 -23.152 106 2HG PRO 12 1HG PRO 12 -24.744 -33.932 -23.470 107 1HD PRO 12 2HD PRO 12 -23.442 -31.872 -24.909 108 2HD PRO 12 1HD PRO 12 -25.171 -32.273 -24.992 109 H ARG 13 H ARG 13 -24.270 -29.568 -19.989 110 HA ARG 13 HA ARG 13 -21.889 -28.182 -20.467 111 1HB ARG 13 2HB ARG 13 -22.673 -29.424 -17.813 112 2HB ARG 13 1HB ARG 13 -21.636 -28.018 -18.055 113 1HG ARG 13 2HG ARG 13 -23.613 -26.918 -19.228 114 2HG ARG 13 1HG ARG 13 -24.599 -28.247 -18.618 115 1HD ARG 13 2HD ARG 13 -24.855 -26.629 -16.942 116 2HD ARG 13 1HD ARG 13 -23.551 -27.629 -16.304 117 HE ARG 13 HE ARG 13 -22.351 -25.602 -16.299 118 1HH1 ARG 13 1HH2 ARG 13 -24.407 -23.795 -17.358 119 2HH1 ARG 13 2HH2 ARG 13 -23.750 -23.293 -18.880 120 1HH2 ARG 13 2HH1 ARG 13 -21.438 -25.873 -19.033 121 2HH2 ARG 13 1HH1 ARG 13 -22.069 -24.470 -19.829 122 H LYS 14 H LYS 14 -19.700 -28.703 -20.347 123 HA LYS 14 HA LYS 14 -19.097 -31.617 -20.169 124 1HB LYS 14 2HB LYS 14 -18.024 -29.359 -21.731 125 2HB LYS 14 1HB LYS 14 -16.789 -30.422 -21.056 126 1HG LYS 14 2HG LYS 14 -19.189 -31.593 -22.441 127 2HG LYS 14 1HG LYS 14 -17.820 -31.009 -23.387 128 1HD LYS 14 2HD LYS 14 -16.372 -32.433 -21.766 129 2HD LYS 14 1HD LYS 14 -17.889 -33.237 -21.358 130 1HE LYS 14 2HE LYS 14 -17.172 -34.567 -23.120 131 2HE LYS 14 1HE LYS 14 -18.145 -33.381 -23.990 132 1HZ LYS 14 1HZ LYS 14 -16.114 -32.090 -24.371 133 2HZ LYS 14 2HZ LYS 14 -16.021 -33.640 -25.059 134 3HZ LYS 14 3HZ LYS 14 -15.202 -33.300 -23.610 135 H ASN 15 H ASN 15 -17.722 -28.469 -19.138 136 HA ASN 15 HA ASN 15 -17.171 -29.473 -16.482 137 1HB ASN 15 2HB ASN 15 -15.237 -30.083 -18.458 138 2HB ASN 15 1HB ASN 15 -14.561 -28.775 -17.487 139 1HD2 ASN 15 1HD2 ASN 15 -14.541 -29.142 -15.064 140 2HD2 ASN 15 2HD2 ASN 15 -14.432 -30.732 -14.481 141 H LYS 16 H LYS 16 -16.271 -27.072 -18.964 142 HA LYS 16 HA LYS 16 -16.510 -24.991 -16.828 143 1HB LYS 16 2HB LYS 16 -14.445 -25.258 -19.018 144 2HB LYS 16 1HB LYS 16 -14.770 -23.714 -18.230 145 1HG LYS 16 2HG LYS 16 -14.477 -25.099 -16.016 146 2HG LYS 16 1HG LYS 16 -13.609 -26.224 -17.061 147 1HD LYS 16 2HD LYS 16 -12.665 -23.662 -17.759 148 2HD LYS 16 1HD LYS 16 -12.724 -23.683 -15.996 149 1HE LYS 16 2HE LYS 16 -11.672 -26.150 -16.502 150 2HE LYS 16 1HE LYS 16 -11.002 -25.221 -17.843 151 1HZ LYS 16 1HZ LYS 16 -10.837 -23.698 -15.485 152 2HZ LYS 16 2HZ LYS 16 -9.574 -24.279 -16.462 153 3HZ LYS 16 3HZ LYS 16 -10.171 -25.229 -15.186 154 H ASN 17 H ASN 17 -15.762 -24.218 -20.152 155 HA ASN 17 HA ASN 17 -18.498 -23.876 -21.034 156 1HB ASN 17 2HB ASN 17 -17.654 -21.908 -19.288 157 2HB ASN 17 1HB ASN 17 -17.292 -21.201 -20.863 158 1HD2 ASN 17 1HD2 ASN 17 -19.951 -22.617 -18.929 159 2HD2 ASN 17 2HD2 ASN 17 -21.198 -21.882 -19.815 160 H ILE 18 H ILE 18 -15.543 -21.904 -21.492 161 HA ILE 18 HA ILE 18 -15.472 -22.907 -24.309 162 HB ILE 18 HB ILE 18 -16.291 -20.596 -24.280 163 1HG1 ILE 18 2HG1 ILE 18 -13.379 -20.514 -25.096 164 2HG1 ILE 18 1HG1 ILE 18 -14.572 -21.445 -26.002 165 1HG2 ILE 18 1HG2 ILE 18 -15.210 -20.059 -22.054 166 2HG2 ILE 18 2HG2 ILE 18 -15.026 -18.803 -23.279 167 3HG2 ILE 18 3HG2 ILE 18 -13.680 -19.885 -22.915 168 1HD1 ILE 18 1HD1 ILE 18 -15.775 -18.946 -25.596 169 2HD1 ILE 18 2HD1 ILE 18 -15.086 -19.548 -27.103 170 3HD1 ILE 18 3HD1 ILE 18 -14.100 -18.579 -26.007 171 H LYS 19 H LYS 19 -13.542 -23.812 -24.842 172 HA LYS 19 HA LYS 19 -11.216 -23.259 -23.046 173 1HB LYS 19 2HB LYS 19 -12.010 -25.690 -24.658 174 2HB LYS 19 1HB LYS 19 -10.371 -25.478 -24.044 175 1HG LYS 19 2HG LYS 19 -11.614 -24.989 -21.767 176 2HG LYS 19 1HG LYS 19 -12.924 -25.895 -22.525 177 1HD LYS 19 2HD LYS 19 -10.850 -27.527 -23.113 178 2HD LYS 19 1HD LYS 19 -10.260 -26.832 -21.603 179 1HE LYS 19 2HE LYS 19 -11.775 -27.967 -20.365 180 2HE LYS 19 1HE LYS 19 -13.089 -27.579 -21.476 181 1HZ LYS 19 1HZ LYS 19 -11.307 -29.885 -21.434 182 2HZ LYS 19 2HZ LYS 19 -11.748 -29.290 -22.962 183 3HZ LYS 19 3HZ LYS 19 -12.944 -29.787 -21.863 184 H VAL 20 H VAL 20 -9.145 -22.929 -24.050 185 HA VAL 20 HA VAL 20 -9.151 -22.586 -27.004 186 HB VAL 20 HB VAL 20 -8.162 -20.366 -26.846 187 1HG1 VAL 20 1HG1 VAL 20 -10.470 -20.212 -24.934 188 2HG1 VAL 20 2HG1 VAL 20 -10.744 -20.828 -26.563 189 3HG1 VAL 20 3HG1 VAL 20 -10.112 -19.198 -26.331 190 1HG2 VAL 20 1HG2 VAL 20 -7.408 -21.181 -24.305 191 2HG2 VAL 20 2HG2 VAL 20 -8.657 -19.979 -23.981 192 3HG2 VAL 20 3HG2 VAL 20 -7.244 -19.545 -24.943 193 H ASN 21 H ASN 21 -7.846 -24.256 -24.687 194 HA ASN 21 HA ASN 21 -5.041 -23.893 -25.668 195 1HB ASN 21 2HB ASN 21 -5.999 -23.763 -23.021 196 2HB ASN 21 1HB ASN 21 -5.200 -25.329 -23.159 197 1HD2 ASN 21 1HD2 ASN 21 -2.916 -25.344 -23.224 198 2HD2 ASN 21 2HD2 ASN 21 -1.961 -23.942 -23.282 199 H THR 22 H THR 22 -3.948 -26.236 -24.692 200 HA THR 22 HA THR 22 -5.460 -28.282 -26.256 201 HB THR 22 HB THR 22 -2.941 -29.325 -25.845 202 HG1 THR 22 HG1 THR 22 -2.543 -26.627 -26.527 203 1HG2 THR 22 1HG2 THR 22 -3.260 -27.529 -28.187 204 2HG2 THR 22 2HG2 THR 22 -4.523 -28.738 -27.957 205 3HG2 THR 22 3HG2 THR 22 -2.842 -29.242 -28.128 206 H TYR 23 H TYR 23 -4.765 -30.616 -25.392 207 HA TYR 23 HA TYR 23 -5.381 -30.589 -22.474 208 1HB TYR 23 2HB TYR 23 -5.565 -32.917 -24.407 209 2HB TYR 23 1HB TYR 23 -6.235 -32.831 -22.778 210 HD1 TYR 23 HD1 TYR 23 -6.488 -31.449 -26.218 211 HD2 TYR 23 HD2 TYR 23 -8.323 -31.738 -22.343 212 HE1 TYR 23 HE1 TYR 23 -8.572 -30.458 -27.130 213 HE2 TYR 23 HE2 TYR 23 -10.406 -30.746 -23.256 214 HH TYR 23 HH TYR 23 -11.337 -29.729 -25.020 215 H ARG 24 H ARG 24 -2.717 -30.037 -23.222 216 HA ARG 24 HA ARG 24 -1.160 -32.513 -23.088 217 1HB ARG 24 2HB ARG 24 -0.563 -29.591 -23.278 218 2HB ARG 24 1HB ARG 24 0.692 -30.642 -22.623 219 1HG ARG 24 2HG ARG 24 0.380 -32.125 -24.649 220 2HG ARG 24 1HG ARG 24 -0.662 -30.870 -25.321 221 1HD ARG 24 2HD ARG 24 2.278 -30.668 -24.638 222 2HD ARG 24 1HD ARG 24 1.515 -30.451 -26.213 223 HE ARG 24 HE ARG 24 0.900 -28.555 -23.994 224 1HH1 ARG 24 1HH2 ARG 24 3.043 -29.028 -26.540 225 2HH1 ARG 24 2HH2 ARG 24 2.732 -27.510 -27.315 226 1HH2 ARG 24 2HH1 ARG 24 0.069 -26.698 -25.244 227 2HH2 ARG 24 1HH1 ARG 24 1.048 -26.191 -26.581 228 H THR 25 H THR 25 -0.724 -29.662 -21.006 229 HA THR 25 HA THR 25 -0.845 -31.506 -18.653 230 HB THR 25 HB THR 25 1.063 -30.540 -17.728 231 HG1 THR 25 HG1 THR 25 0.635 -28.349 -19.478 232 1HG2 THR 25 1HG2 THR 25 2.727 -30.230 -19.607 233 2HG2 THR 25 2HG2 THR 25 1.377 -30.373 -20.733 234 3HG2 THR 25 3HG2 THR 25 1.798 -31.727 -19.686 235 H SER 26 H SER 26 -2.570 -30.964 -17.415 236 HA SER 26 HA SER 26 -3.980 -28.468 -17.683 237 1HB SER 26 2HB SER 26 -5.435 -30.011 -16.824 238 2HB SER 26 1HB SER 26 -4.164 -30.885 -15.974 239 HG SER 26 HG SER 26 -4.976 -29.894 -14.298 240 H ALA 27 H ALA 27 -2.494 -26.762 -17.285 241 HA ALA 27 HA ALA 27 -2.013 -26.235 -14.428 242 1HB ALA 27 1HB ALA 27 0.236 -26.503 -14.406 243 2HB ALA 27 2HB ALA 27 0.422 -25.736 -15.984 244 3HB ALA 27 3HB ALA 27 0.012 -27.448 -15.878 245 H MET 28 H MET 28 -2.898 -24.226 -14.297 246 HA MET 28 HA MET 28 -2.541 -22.348 -16.573 247 1HB MET 28 2HB MET 28 -4.398 -22.436 -14.197 248 2HB MET 28 1HB MET 28 -4.183 -20.952 -15.126 249 1HG MET 28 2HG MET 28 -6.074 -22.135 -16.061 250 2HG MET 28 1HG MET 28 -4.739 -22.269 -17.206 251 1HE MET 28 1HE MET 28 -5.942 -25.458 -14.129 252 2HE MET 28 2HE MET 28 -6.355 -23.745 -14.121 253 3HE MET 28 3HE MET 28 -4.701 -24.247 -13.775 254 H ASP 29 H ASP 29 -2.008 -22.584 -13.073 255 HA ASP 29 HA ASP 29 -0.649 -21.305 -11.645 256 1HB ASP 29 2HB ASP 29 0.894 -22.326 -13.634 257 2HB ASP 29 1HB ASP 29 1.202 -20.603 -13.850 258 H LEU 30 H LEU 30 0.703 -19.062 -11.704 259 HA LEU 30 HA LEU 30 -0.571 -17.014 -13.383 260 1HB LEU 30 2HB LEU 30 -2.274 -17.077 -11.718 261 2HB LEU 30 1HB LEU 30 -1.100 -17.253 -10.414 262 HG LEU 30 HG LEU 30 -0.356 -14.996 -10.647 263 1HD1 LEU 30 1HD1 LEU 30 -1.925 -15.043 -13.234 264 2HD1 LEU 30 2HD1 LEU 30 -0.196 -14.764 -13.022 265 3HD1 LEU 30 3HD1 LEU 30 -1.357 -13.547 -12.492 266 1HD2 LEU 30 1HD2 LEU 30 -2.441 -15.099 -9.443 267 2HD2 LEU 30 2HD2 LEU 30 -3.366 -15.200 -10.941 268 3HD2 LEU 30 3HD2 LEU 30 -2.535 -13.703 -10.517 269 H SER 31 H SER 31 1.412 -16.209 -14.038 270 HA SER 31 HA SER 31 3.316 -15.410 -11.873 271 1HB SER 31 2HB SER 31 4.739 -15.315 -14.248 272 2HB SER 31 1HB SER 31 4.785 -16.634 -13.083 273 HG SER 31 HG SER 31 4.242 -17.430 -15.120 274 HA PRO 32 HA PRO 32 2.790 -11.239 -13.128 275 1HB PRO 32 2HB PRO 32 5.251 -10.240 -12.419 276 2HB PRO 32 1HB PRO 32 3.988 -10.655 -11.247 277 1HG PRO 32 2HG PRO 32 6.499 -12.128 -11.902 278 2HG PRO 32 1HG PRO 32 5.568 -12.112 -10.395 279 1HD PRO 32 2HD PRO 32 5.530 -14.165 -12.341 280 2HD PRO 32 1HD PRO 32 4.367 -13.965 -11.013 281 H GLY 33 H GLY 33 3.466 -9.691 -14.767 282 1HA GLY 33 2HA GLY 33 4.785 -8.958 -16.632 283 2HA GLY 33 1HA GLY 33 5.690 -10.471 -16.554 284 H SER 34 H SER 34 2.235 -10.646 -16.391 285 HA SER 34 HA SER 34 2.198 -11.610 -19.224 286 1HB SER 34 2HB SER 34 0.237 -13.044 -18.391 287 2HB SER 34 1HB SER 34 1.845 -13.522 -17.855 288 HG SER 34 HG SER 34 1.438 -12.352 -15.921 289 H VAL 35 H VAL 35 0.216 -11.195 -20.400 290 HA VAL 35 HA VAL 35 -1.194 -8.767 -19.404 291 HB VAL 35 HB VAL 35 -2.013 -8.713 -21.843 292 1HG1 VAL 35 1HG1 VAL 35 0.469 -8.109 -22.590 293 2HG1 VAL 35 2HG1 VAL 35 0.782 -8.292 -20.863 294 3HG1 VAL 35 3HG1 VAL 35 -0.396 -7.107 -21.425 295 1HG2 VAL 35 1HG2 VAL 35 0.309 -10.624 -22.220 296 2HG2 VAL 35 2HG2 VAL 35 -0.818 -10.044 -23.447 297 3HG2 VAL 35 3HG2 VAL 35 -1.373 -11.156 -22.196 298 H HIS 36 H HIS 36 -3.342 -8.898 -18.839 299 HA HIS 36 HA HIS 36 -4.948 -11.178 -19.852 300 1HB HIS 36 2HB HIS 36 -3.747 -11.331 -17.352 301 2HB HIS 36 1HB HIS 36 -5.377 -10.765 -16.987 302 HD1 HIS 36 HD1 HIS 36 -7.191 -12.494 -17.014 303 HD2 HIS 36 HD2 HIS 36 -3.788 -13.791 -19.042 304 HE1 HIS 36 HE1 HIS 36 -7.615 -14.907 -17.655 305 H GLU 37 H GLU 37 -7.298 -10.909 -19.004 306 HA GLU 37 HA GLU 37 -7.992 -8.032 -19.289 307 1HB GLU 37 2HB GLU 37 -10.252 -8.834 -19.825 308 2HB GLU 37 1HB GLU 37 -9.064 -9.651 -20.842 309 1HG GLU 37 2HG GLU 37 -9.725 -10.944 -18.242 310 2HG GLU 37 1HG GLU 37 -10.963 -10.998 -19.497 311 H GLY 38 H GLY 38 -9.682 -7.160 -17.849 312 1HA GLY 38 2HA GLY 38 -10.370 -8.628 -15.423 313 2HA GLY 38 1HA GLY 38 -9.173 -7.361 -15.149 314 H ILE 39 H ILE 39 -11.389 -6.901 -13.807 315 HA ILE 39 HA ILE 39 -13.220 -5.259 -15.473 316 HB ILE 39 HB ILE 39 -13.457 -5.658 -12.492 317 1HG1 ILE 39 2HG1 ILE 39 -14.592 -7.560 -14.555 318 2HG1 ILE 39 1HG1 ILE 39 -13.066 -7.870 -13.729 319 1HG2 ILE 39 1HG2 ILE 39 -15.874 -5.507 -13.058 320 2HG2 ILE 39 2HG2 ILE 39 -15.444 -5.299 -14.755 321 3HG2 ILE 39 3HG2 ILE 39 -14.982 -4.076 -13.573 322 1HD1 ILE 39 1HD1 ILE 39 -15.763 -8.250 -12.758 323 2HD1 ILE 39 2HD1 ILE 39 -14.890 -7.132 -11.709 324 3HD1 ILE 39 3HD1 ILE 39 -14.239 -8.742 -12.018 325 H VAL 40 H VAL 40 -13.553 -2.995 -14.941 326 HA VAL 40 HA VAL 40 -11.107 -1.797 -13.754 327 HB VAL 40 HB VAL 40 -13.338 -0.429 -15.281 328 1HG1 VAL 40 1HG1 VAL 40 -10.752 0.396 -14.075 329 2HG1 VAL 40 2HG1 VAL 40 -12.210 1.344 -14.369 330 3HG1 VAL 40 3HG1 VAL 40 -11.086 1.023 -15.689 331 1HG2 VAL 40 1HG2 VAL 40 -11.106 -2.132 -16.148 332 2HG2 VAL 40 2HG2 VAL 40 -11.112 -0.545 -16.918 333 3HG2 VAL 40 3HG2 VAL 40 -12.523 -1.595 -17.050 334 H TYR 41 H TYR 41 -11.208 -0.211 -12.130 335 HA TYR 41 HA TYR 41 -13.813 0.398 -10.881 336 1HB TYR 41 2HB TYR 41 -12.331 -1.753 -9.930 337 2HB TYR 41 1HB TYR 41 -11.854 -0.429 -8.866 338 HD1 TYR 41 HD1 TYR 41 -13.079 -0.411 -6.889 339 HD2 TYR 41 HD2 TYR 41 -15.054 -1.417 -10.571 340 HE1 TYR 41 HE1 TYR 41 -15.236 -0.608 -5.678 341 HE2 TYR 41 HE2 TYR 41 -17.211 -1.615 -9.359 342 HH TYR 41 HH TYR 41 -17.451 -1.888 -6.070 343 H PHE 42 H PHE 42 -13.752 2.493 -10.108 344 HA PHE 42 HA PHE 42 -11.050 3.765 -9.951 345 1HB PHE 42 2HB PHE 42 -12.638 4.669 -11.674 346 2HB PHE 42 1HB PHE 42 -13.727 5.126 -10.364 347 HD1 PHE 42 HD1 PHE 42 -13.557 7.292 -9.526 348 HD2 PHE 42 HD2 PHE 42 -10.094 5.449 -11.282 349 HE1 PHE 42 HE1 PHE 42 -12.269 9.385 -9.185 350 HE2 PHE 42 HE2 PHE 42 -8.806 7.542 -10.940 351 HZ PHE 42 HZ PHE 42 -9.894 9.511 -9.891 352 H LYS 43 H LYS 43 -10.413 3.933 -7.859 353 HA LYS 43 HA LYS 43 -12.091 5.347 -5.945 354 1HB LYS 43 2HB LYS 43 -12.718 2.754 -6.004 355 2HB LYS 43 1HB LYS 43 -11.293 2.638 -4.971 356 1HG LYS 43 2HG LYS 43 -12.750 4.862 -4.024 357 2HG LYS 43 1HG LYS 43 -13.939 3.589 -4.302 358 1HD LYS 43 2HD LYS 43 -11.764 2.278 -3.119 359 2HD LYS 43 1HD LYS 43 -11.922 3.788 -2.220 360 1HE LYS 43 2HE LYS 43 -14.401 2.224 -2.838 361 2HE LYS 43 1HE LYS 43 -13.351 1.663 -1.538 362 1HZ LYS 43 1HZ LYS 43 -14.510 3.126 -0.323 363 2HZ LYS 43 2HZ LYS 43 -15.033 4.014 -1.674 364 3HZ LYS 43 3HZ LYS 43 -13.487 4.284 -1.023 365 H ASP 44 H ASP 44 -10.893 5.708 -3.887 366 HA ASP 44 HA ASP 44 -8.931 6.164 -2.680 367 1HB ASP 44 2HB ASP 44 -8.348 3.717 -4.148 368 2HB ASP 44 1HB ASP 44 -6.904 4.709 -3.942 369 H GLY 45 H GLY 45 -9.566 7.064 -5.717 370 1HA GLY 45 2HA GLY 45 -8.729 9.026 -6.793 371 2HA GLY 45 1HA GLY 45 -7.305 8.956 -5.754 372 H ILE 46 H ILE 46 -7.343 5.916 -6.612 373 HA ILE 46 HA ILE 46 -5.828 6.404 -9.146 374 HB ILE 46 HB ILE 46 -5.435 3.910 -7.540 375 1HG1 ILE 46 2HG1 ILE 46 -5.438 5.791 -5.881 376 2HG1 ILE 46 1HG1 ILE 46 -3.858 5.021 -6.044 377 1HG2 ILE 46 1HG2 ILE 46 -3.628 3.745 -8.877 378 2HG2 ILE 46 2HG2 ILE 46 -3.096 5.373 -8.452 379 3HG2 ILE 46 3HG2 ILE 46 -4.248 5.137 -9.766 380 1HD1 ILE 46 1HD1 ILE 46 -2.970 7.019 -6.570 381 2HD1 ILE 46 2HD1 ILE 46 -4.563 7.771 -6.502 382 3HD1 ILE 46 3HD1 ILE 46 -3.984 7.066 -8.012 383 H PHE 47 H PHE 47 -5.663 3.645 -9.879 384 HA PHE 47 HA PHE 47 -8.528 3.166 -10.582 385 1HB PHE 47 2HB PHE 47 -5.943 2.578 -12.022 386 2HB PHE 47 1HB PHE 47 -7.438 1.747 -12.449 387 HD1 PHE 47 HD1 PHE 47 -8.620 2.679 -14.217 388 HD2 PHE 47 HD2 PHE 47 -6.388 5.260 -11.603 389 HE1 PHE 47 HE1 PHE 47 -9.336 4.645 -15.548 390 HE2 PHE 47 HE2 PHE 47 -7.107 7.227 -12.934 391 HZ PHE 47 HZ PHE 47 -8.580 6.919 -14.907 392 H LYS 48 H LYS 48 -8.918 0.707 -11.026 393 HA LYS 48 HA LYS 48 -7.318 -1.070 -9.300 394 1HB LYS 48 2HB LYS 48 -9.713 0.183 -8.355 395 2HB LYS 48 1HB LYS 48 -10.036 -1.537 -8.570 396 1HG LYS 48 2HG LYS 48 -7.580 -1.648 -7.410 397 2HG LYS 48 1HG LYS 48 -8.218 -0.183 -6.663 398 1HD LYS 48 2HD LYS 48 -9.502 -2.928 -6.665 399 2HD LYS 48 1HD LYS 48 -8.847 -2.065 -5.273 400 1HE LYS 48 2HE LYS 48 -10.737 -0.366 -6.609 401 2HE LYS 48 1HE LYS 48 -11.491 -1.932 -6.310 402 1HZ LYS 48 1HZ LYS 48 -10.746 -1.770 -3.993 403 2HZ LYS 48 2HZ LYS 48 -11.797 -0.504 -4.418 404 3HZ LYS 48 3HZ LYS 48 -10.125 -0.223 -4.303 405 H VAL 49 H VAL 49 -7.637 -3.270 -9.810 406 HA VAL 49 HA VAL 49 -9.450 -3.778 -12.135 407 HB VAL 49 HB VAL 49 -6.926 -5.343 -11.627 408 1HG1 VAL 49 1HG1 VAL 49 -7.310 -6.201 -13.710 409 2HG1 VAL 49 2HG1 VAL 49 -7.909 -4.667 -14.341 410 3HG1 VAL 49 3HG1 VAL 49 -8.969 -5.701 -13.383 411 1HG2 VAL 49 1HG2 VAL 49 -7.212 -2.559 -12.633 412 2HG2 VAL 49 2HG2 VAL 49 -6.170 -3.622 -13.578 413 3HG2 VAL 49 3HG2 VAL 49 -5.828 -3.343 -11.871 414 H ARG 50 H ARG 50 -11.028 -5.211 -11.622 415 HA ARG 50 HA ARG 50 -10.647 -6.944 -9.232 416 1HB ARG 50 2HB ARG 50 -12.712 -5.455 -9.557 417 2HB ARG 50 1HB ARG 50 -13.190 -6.580 -10.829 418 1HG ARG 50 2HG ARG 50 -13.390 -8.389 -9.315 419 2HG ARG 50 1HG ARG 50 -12.474 -7.550 -8.062 420 1HD ARG 50 2HD ARG 50 -14.283 -5.919 -7.793 421 2HD ARG 50 1HD ARG 50 -15.192 -6.687 -9.094 422 HE ARG 50 HE ARG 50 -15.002 -7.642 -6.352 423 1HH1 ARG 50 1HH2 ARG 50 -17.304 -7.897 -8.381 424 2HH1 ARG 50 2HH2 ARG 50 -17.337 -9.614 -8.612 425 1HH2 ARG 50 2HH1 ARG 50 -14.214 -10.129 -7.192 426 2HH2 ARG 50 1HH1 ARG 50 -15.586 -10.877 -7.938 427 H LEU 51 H LEU 51 -10.063 -9.047 -9.577 428 HA LEU 51 HA LEU 51 -10.328 -10.142 -12.314 429 1HB LEU 51 2HB LEU 51 -8.478 -10.490 -10.191 430 2HB LEU 51 1HB LEU 51 -9.274 -12.047 -10.434 431 HG LEU 51 HG LEU 51 -7.371 -11.967 -11.922 432 1HD1 LEU 51 1HD1 LEU 51 -9.674 -11.240 -13.720 433 2HD1 LEU 51 2HD1 LEU 51 -9.731 -12.716 -12.756 434 3HD1 LEU 51 3HD1 LEU 51 -8.447 -12.487 -13.943 435 1HD2 LEU 51 1HD2 LEU 51 -7.923 -9.898 -13.731 436 2HD2 LEU 51 2HD2 LEU 51 -6.631 -9.921 -12.531 437 3HD2 LEU 51 3HD2 LEU 51 -8.183 -9.179 -12.141 438 H LEU 52 H LEU 52 -12.639 -10.407 -12.356 439 HA LEU 52 HA LEU 52 -14.162 -11.799 -10.401 440 1HB LEU 52 2HB LEU 52 -14.773 -10.517 -12.711 441 2HB LEU 52 1HB LEU 52 -14.917 -12.191 -13.246 442 HG LEU 52 HG LEU 52 -16.391 -12.622 -11.248 443 1HD1 LEU 52 1HD1 LEU 52 -15.438 -10.083 -10.490 444 2HD1 LEU 52 2HD1 LEU 52 -16.672 -11.038 -9.669 445 3HD1 LEU 52 3HD1 LEU 52 -17.142 -9.847 -10.881 446 1HD2 LEU 52 1HD2 LEU 52 -18.241 -12.071 -12.484 447 2HD2 LEU 52 2HD2 LEU 52 -17.035 -11.669 -13.706 448 3HD2 LEU 52 3HD2 LEU 52 -17.723 -10.398 -12.697 449 H GLY 53 H GLY 53 -15.082 -14.027 -10.660 450 1HA GLY 53 2HA GLY 53 -14.910 -16.313 -11.359 451 2HA GLY 53 1HA GLY 53 -13.435 -15.907 -12.238 452 H TYR 54 H TYR 54 -12.274 -14.474 -9.929 453 HA TYR 54 HA TYR 54 -11.342 -16.874 -8.452 454 1HB TYR 54 2HB TYR 54 -9.962 -14.761 -9.542 455 2HB TYR 54 1HB TYR 54 -10.089 -14.276 -7.851 456 HD1 TYR 54 HD1 TYR 54 -8.431 -16.442 -10.208 457 HD2 TYR 54 HD2 TYR 54 -9.390 -15.950 -6.048 458 HE1 TYR 54 HE1 TYR 54 -6.640 -18.050 -9.605 459 HE2 TYR 54 HE2 TYR 54 -7.599 -17.557 -5.445 460 HH TYR 54 HH TYR 54 -5.491 -18.982 -7.939 461 H GLU 55 H GLU 55 -12.992 -13.806 -7.975 462 HA GLU 55 HA GLU 55 -14.086 -12.926 -6.095 463 1HB GLU 55 2HB GLU 55 -15.302 -15.100 -6.314 464 2HB GLU 55 1HB GLU 55 -14.127 -15.830 -5.220 465 1HG GLU 55 2HG GLU 55 -15.371 -15.117 -3.487 466 2HG GLU 55 1HG GLU 55 -14.997 -13.458 -3.955 467 H GLY 56 H GLY 56 -12.147 -11.836 -5.357 468 1HA GLY 56 2HA GLY 56 -11.347 -11.622 -2.906 469 2HA GLY 56 1HA GLY 56 -10.707 -13.248 -3.152 470 H HIS 57 H HIS 57 -10.272 -12.140 -6.090 471 HA HIS 57 HA HIS 57 -7.493 -11.314 -5.538 472 1HB HIS 57 2HB HIS 57 -9.012 -12.266 -7.933 473 2HB HIS 57 1HB HIS 57 -7.566 -11.292 -8.198 474 HD1 HIS 57 HD1 HIS 57 -6.610 -13.654 -9.186 475 HD2 HIS 57 HD2 HIS 57 -7.206 -13.473 -5.065 476 HE1 HIS 57 HE1 HIS 57 -5.288 -15.569 -8.187 477 H GLU 58 H GLU 58 -7.658 -9.182 -4.795 478 HA GLU 58 HA GLU 58 -8.998 -7.225 -6.604 479 1HB GLU 58 2HB GLU 58 -9.185 -7.492 -3.878 480 2HB GLU 58 1HB GLU 58 -7.928 -6.263 -4.028 481 1HG GLU 58 2HG GLU 58 -9.477 -4.714 -4.532 482 2HG GLU 58 1HG GLU 58 -9.999 -5.673 -5.917 483 H CYS 59 H CYS 59 -7.566 -6.427 -8.068 484 HA CYS 59 HA CYS 59 -4.733 -6.067 -7.239 485 1HB CYS 59 2HB CYS 59 -5.783 -5.650 -10.032 486 2HB CYS 59 1HB CYS 59 -4.163 -6.123 -9.520 487 HG CYS 59 HG CYS 59 -6.069 -8.265 -8.657 488 H ILE 60 H ILE 60 -3.672 -4.023 -7.754 489 HA ILE 60 HA ILE 60 -5.585 -1.727 -7.720 490 HB ILE 60 HB ILE 60 -3.825 -0.462 -6.587 491 1HG1 ILE 60 2HG1 ILE 60 -1.878 -2.282 -5.866 492 2HG1 ILE 60 1HG1 ILE 60 -2.207 -2.728 -7.541 493 1HG2 ILE 60 1HG2 ILE 60 -4.893 -2.995 -5.547 494 2HG2 ILE 60 2HG2 ILE 60 -4.863 -1.397 -4.801 495 3HG2 ILE 60 3HG2 ILE 60 -3.447 -2.444 -4.704 496 1HD1 ILE 60 1HD1 ILE 60 -0.728 -1.049 -8.001 497 2HD1 ILE 60 2HD1 ILE 60 -0.995 -0.255 -6.450 498 3HD1 ILE 60 3HD1 ILE 60 -2.142 -0.021 -7.768 499 H LEU 61 H LEU 61 -5.575 -0.496 -9.545 500 HA LEU 61 HA LEU 61 -3.370 -0.927 -11.485 501 1HB LEU 61 2HB LEU 61 -5.788 -1.162 -12.176 502 2HB LEU 61 1HB LEU 61 -5.971 0.569 -11.895 503 HG LEU 61 HG LEU 61 -4.188 1.028 -13.530 504 1HD1 LEU 61 1HD1 LEU 61 -3.402 -0.898 -14.953 505 2HD1 LEU 61 2HD1 LEU 61 -4.176 -1.991 -13.804 506 3HD1 LEU 61 3HD1 LEU 61 -2.838 -0.964 -13.284 507 1HD2 LEU 61 1HD2 LEU 61 -5.487 -0.296 -15.506 508 2HD2 LEU 61 2HD2 LEU 61 -6.148 1.136 -14.718 509 3HD2 LEU 61 3HD2 LEU 61 -6.665 -0.471 -14.206 510 H LEU 62 H LEU 62 -1.707 0.466 -11.211 511 HA LEU 62 HA LEU 62 -2.365 3.308 -10.525 512 1HB LEU 62 2HB LEU 62 -0.799 1.702 -9.066 513 2HB LEU 62 1HB LEU 62 0.409 2.242 -10.231 514 HG LEU 62 HG LEU 62 -1.390 4.259 -8.918 515 1HD1 LEU 62 1HD1 LEU 62 -0.214 4.286 -6.939 516 2HD1 LEU 62 2HD1 LEU 62 1.264 3.678 -7.688 517 3HD1 LEU 62 3HD1 LEU 62 -0.055 2.568 -7.311 518 1HD2 LEU 62 1HD2 LEU 62 -0.096 5.343 -10.496 519 2HD2 LEU 62 2HD2 LEU 62 1.219 4.173 -10.375 520 3HD2 LEU 62 3HD2 LEU 62 1.021 5.409 -9.132 521 H ASP 63 H ASP 63 -0.312 1.227 -12.552 522 HA ASP 63 HA ASP 63 0.987 3.337 -13.974 523 1HB ASP 63 2HB ASP 63 0.963 0.511 -14.050 524 2HB ASP 63 1HB ASP 63 0.542 1.051 -15.674 525 H TYR 64 H TYR 64 -1.980 1.479 -14.738 526 HA TYR 64 HA TYR 64 -2.605 2.565 -17.228 527 1HB TYR 64 2HB TYR 64 -4.004 0.879 -16.063 528 2HB TYR 64 1HB TYR 64 -4.563 2.130 -14.955 529 HD1 TYR 64 HD1 TYR 64 -5.085 0.556 -18.138 530 HD2 TYR 64 HD2 TYR 64 -5.691 4.214 -15.965 531 HE1 TYR 64 HE1 TYR 64 -6.832 1.234 -19.766 532 HE2 TYR 64 HE2 TYR 64 -7.438 4.892 -17.591 533 HH TYR 64 HH TYR 64 -9.076 3.299 -19.298 534 H LEU 65 H LEU 65 -2.726 4.150 -14.098 535 HA LEU 65 HA LEU 65 -4.367 6.365 -14.693 536 1HB LEU 65 2HB LEU 65 -3.253 5.757 -12.464 537 2HB LEU 65 1HB LEU 65 -1.817 6.573 -13.082 538 HG LEU 65 HG LEU 65 -4.381 8.057 -13.332 539 1HD1 LEU 65 1HD1 LEU 65 -2.962 8.048 -10.674 540 2HD1 LEU 65 2HD1 LEU 65 -4.258 6.895 -10.997 541 3HD1 LEU 65 3HD1 LEU 65 -4.582 8.628 -11.062 542 1HD2 LEU 65 1HD2 LEU 65 -1.768 9.023 -12.188 543 2HD2 LEU 65 2HD2 LEU 65 -2.973 9.924 -13.108 544 3HD2 LEU 65 3HD2 LEU 65 -1.930 8.759 -13.924 545 H ASN 66 H ASN 66 -0.796 6.602 -14.662 546 HA ASN 66 HA ASN 66 0.649 7.819 -16.051 547 1HB ASN 66 2HB ASN 66 -0.983 6.428 -17.750 548 2HB ASN 66 1HB ASN 66 -1.295 8.088 -18.260 549 1HD2 ASN 66 1HD2 ASN 66 0.133 6.242 -19.941 550 2HD2 ASN 66 2HD2 ASN 66 1.736 6.785 -20.079 551 H TYR 67 H TYR 67 1.051 10.016 -16.482 552 HA TYR 67 HA TYR 67 -0.874 11.886 -15.370 553 1HB TYR 67 2HB TYR 67 1.871 12.072 -16.554 554 2HB TYR 67 1HB TYR 67 0.912 13.546 -16.410 555 HD1 TYR 67 HD1 TYR 67 -0.331 13.823 -14.062 556 HD2 TYR 67 HD2 TYR 67 3.180 11.435 -14.732 557 HE1 TYR 67 HE1 TYR 67 0.213 13.942 -11.644 558 HE2 TYR 67 HE2 TYR 67 3.723 11.555 -12.313 559 HH TYR 67 HH TYR 67 1.516 13.111 -10.010 560 H ARG 68 H ARG 68 -1.763 13.738 -16.565 561 HA ARG 68 HA ARG 68 -1.766 13.643 -19.492 562 1HB ARG 68 2HB ARG 68 -3.535 11.951 -18.411 563 2HB ARG 68 1HB ARG 68 -4.492 13.428 -18.297 564 1HG ARG 68 2HG ARG 68 -4.795 13.551 -20.544 565 2HG ARG 68 1HG ARG 68 -3.129 13.087 -20.884 566 1HD ARG 68 2HD ARG 68 -5.214 11.474 -21.435 567 2HD ARG 68 1HD ARG 68 -3.628 10.847 -20.988 568 HE ARG 68 HE ARG 68 -4.490 10.374 -18.771 569 1HH1 ARG 68 2HH1 ARG 68 -6.599 12.704 -19.730 570 2HH1 ARG 68 1HH1 ARG 68 -8.051 11.842 -19.347 571 1HH2 ARG 68 1HH2 ARG 68 -6.431 8.824 -18.807 572 2HH2 ARG 68 2HH2 ARG 68 -7.957 9.644 -18.826 573 H GLN 69 H GLN 69 -2.517 15.606 -20.376 574 HA GLN 69 HA GLN 69 -3.058 17.734 -18.355 575 1HB GLN 69 2HB GLN 69 -2.294 19.314 -20.064 576 2HB GLN 69 1HB GLN 69 -1.079 18.056 -19.834 577 1HG GLN 69 2HG GLN 69 -2.739 16.984 -21.782 578 2HG GLN 69 1HG GLN 69 -2.664 18.693 -22.210 579 1HE2 GLN 69 1HE2 GLN 69 -0.884 19.255 -23.461 580 2HE2 GLN 69 2HE2 GLN 69 0.580 18.397 -23.519 581 H ASP 70 H ASP 70 -5.345 17.003 -18.287 582 HA ASP 70 HA ASP 70 -7.010 18.579 -20.028 583 1HB ASP 70 2HB ASP 70 -8.140 16.809 -21.251 584 2HB ASP 70 1HB ASP 70 -6.409 16.688 -21.571 585 H THR 71 H THR 71 -8.932 18.935 -18.968 586 HA THR 71 HA THR 71 -9.659 17.019 -16.788 587 HB THR 71 HB THR 71 -10.247 18.848 -15.354 588 HG1 THR 71 HG1 THR 71 -9.666 21.030 -16.469 589 1HG2 THR 71 1HG2 THR 71 -7.762 19.963 -16.590 590 2HG2 THR 71 2HG2 THR 71 -7.716 18.324 -15.940 591 3HG2 THR 71 3HG2 THR 71 -8.136 19.679 -14.890 592 H LEU 72 H LEU 72 -11.219 16.029 -18.197 593 HA LEU 72 HA LEU 72 -13.836 17.152 -18.110 594 1HB LEU 72 2HB LEU 72 -12.262 18.252 -20.170 595 2HB LEU 72 1HB LEU 72 -13.321 17.085 -20.962 596 HG LEU 72 HG LEU 72 -14.805 18.568 -18.977 597 1HD1 LEU 72 1HD1 LEU 72 -13.949 20.640 -19.207 598 2HD1 LEU 72 2HD1 LEU 72 -14.438 20.596 -20.901 599 3HD1 LEU 72 3HD1 LEU 72 -12.816 20.084 -20.437 600 1HD2 LEU 72 1HD2 LEU 72 -15.073 18.763 -21.978 601 2HD2 LEU 72 2HD2 LEU 72 -16.345 18.797 -20.756 602 3HD2 LEU 72 3HD2 LEU 72 -15.512 17.285 -21.120 603 H ASP 73 H ASP 73 -12.580 14.627 -17.617 604 HA ASP 73 HA ASP 73 -13.666 12.913 -19.804 605 1HB ASP 73 2HB ASP 73 -11.840 12.201 -17.486 606 2HB ASP 73 1HB ASP 73 -12.346 11.102 -18.768 607 H ARG 74 H ARG 74 -15.803 13.769 -18.682 608 HA ARG 74 HA ARG 74 -16.512 12.511 -16.159 609 1HB ARG 74 2HB ARG 74 -17.579 14.550 -17.738 610 2HB ARG 74 1HB ARG 74 -18.772 13.255 -17.850 611 1HG ARG 74 2HG ARG 74 -18.675 13.064 -15.334 612 2HG ARG 74 1HG ARG 74 -17.678 14.518 -15.324 613 1HD ARG 74 2HD ARG 74 -20.556 14.225 -16.181 614 2HD ARG 74 1HD ARG 74 -19.873 15.331 -14.990 615 HE ARG 74 HE ARG 74 -19.140 15.635 -17.865 616 1HH1 ARG 74 1HH2 ARG 74 -18.188 17.619 -15.869 617 2HH1 ARG 74 2HH2 ARG 74 -19.372 18.877 -15.993 618 1HH2 ARG 74 2HH1 ARG 74 -21.695 16.893 -17.634 619 2HH2 ARG 74 1HH1 ARG 74 -21.358 18.465 -16.992 620 H LEU 75 H LEU 75 -16.848 11.690 -19.566 621 HA LEU 75 HA LEU 75 -18.785 9.622 -19.335 622 1HB LEU 75 2HB LEU 75 -17.649 10.675 -21.449 623 2HB LEU 75 1HB LEU 75 -16.454 9.398 -21.223 624 HG LEU 75 HG LEU 75 -18.867 8.062 -20.930 625 1HD1 LEU 75 1HD1 LEU 75 -20.451 9.354 -21.898 626 2HD1 LEU 75 2HD1 LEU 75 -19.643 9.008 -23.427 627 3HD1 LEU 75 3HD1 LEU 75 -19.251 10.478 -22.534 628 1HD2 LEU 75 1HD2 LEU 75 -17.125 8.449 -23.386 629 2HD2 LEU 75 2HD2 LEU 75 -18.314 7.160 -23.198 630 3HD2 LEU 75 3HD2 LEU 75 -16.909 7.226 -22.133 631 H LYS 76 H LYS 76 -15.228 9.487 -19.070 632 HA LYS 76 HA LYS 76 -14.810 6.760 -18.782 633 1HB LYS 76 2HB LYS 76 -12.926 8.243 -18.681 634 2HB LYS 76 1HB LYS 76 -13.565 9.056 -17.252 635 1HG LYS 76 2HG LYS 76 -13.314 6.995 -15.941 636 2HG LYS 76 1HG LYS 76 -12.718 6.146 -17.369 637 1HD LYS 76 2HD LYS 76 -10.810 6.834 -16.031 638 2HD LYS 76 1HD LYS 76 -10.842 7.806 -17.503 639 1HE LYS 76 2HE LYS 76 -12.414 9.290 -15.791 640 2HE LYS 76 1HE LYS 76 -11.186 8.639 -14.705 641 1HZ LYS 76 1HZ LYS 76 -9.744 10.089 -15.509 642 2HZ LYS 76 2HZ LYS 76 -10.932 10.728 -16.543 643 3HZ LYS 76 3HZ LYS 76 -9.936 9.458 -17.072 644 H GLU 77 H GLU 77 -16.449 8.901 -16.555 645 HA GLU 77 HA GLU 77 -16.293 7.349 -14.186 646 1HB GLU 77 2HB GLU 77 -17.311 9.702 -14.541 647 2HB GLU 77 1HB GLU 77 -18.784 8.846 -15.000 648 1HG GLU 77 2HG GLU 77 -19.047 7.893 -12.868 649 2HG GLU 77 1HG GLU 77 -17.355 8.149 -12.444 650 H ARG 78 H ARG 78 -18.870 7.320 -16.684 651 HA ARG 78 HA ARG 78 -20.163 5.003 -15.519 652 1HB ARG 78 2HB ARG 78 -20.574 6.780 -17.813 653 2HB ARG 78 1HB ARG 78 -20.989 5.101 -18.164 654 1HG ARG 78 2HG ARG 78 -22.979 6.047 -17.271 655 2HG ARG 78 1HG ARG 78 -22.277 5.126 -15.940 656 1HD ARG 78 2HD ARG 78 -22.147 6.990 -14.691 657 2HD ARG 78 1HD ARG 78 -21.143 7.759 -15.920 658 HE ARG 78 HE ARG 78 -23.152 8.715 -16.899 659 1HH1 ARG 78 2HH1 ARG 78 -23.383 9.166 -13.852 660 2HH1 ARG 78 1HH1 ARG 78 -25.054 8.784 -13.604 661 1HH2 ARG 78 1HH2 ARG 78 -25.427 7.217 -16.673 662 2HH2 ARG 78 2HH2 ARG 78 -26.210 7.682 -15.201 663 H LEU 79 H LEU 79 -17.618 5.469 -17.882 664 HA LEU 79 HA LEU 79 -17.754 2.866 -19.094 665 1HB LEU 79 2HB LEU 79 -16.158 5.170 -19.373 666 2HB LEU 79 1HB LEU 79 -15.043 3.878 -18.927 667 HG LEU 79 HG LEU 79 -17.119 3.589 -21.111 668 1HD1 LEU 79 1HD1 LEU 79 -15.738 5.219 -22.044 669 2HD1 LEU 79 2HD1 LEU 79 -14.905 3.743 -22.535 670 3HD1 LEU 79 3HD1 LEU 79 -14.319 4.669 -21.153 671 1HD2 LEU 79 1HD2 LEU 79 -16.234 1.506 -21.453 672 2HD2 LEU 79 2HD2 LEU 79 -15.745 1.665 -19.766 673 3HD2 LEU 79 3HD2 LEU 79 -14.596 2.027 -21.055 674 H VAL 80 H VAL 80 -16.238 4.101 -16.166 675 HA VAL 80 HA VAL 80 -14.429 2.122 -15.489 676 HB VAL 80 HB VAL 80 -16.511 3.168 -13.560 677 1HG1 VAL 80 1HG1 VAL 80 -14.659 2.938 -11.939 678 2HG1 VAL 80 2HG1 VAL 80 -13.620 2.316 -13.222 679 3HG1 VAL 80 3HG1 VAL 80 -15.032 1.393 -12.707 680 1HG2 VAL 80 1HG2 VAL 80 -14.274 4.777 -13.321 681 2HG2 VAL 80 2HG2 VAL 80 -15.758 5.225 -14.160 682 3HG2 VAL 80 3HG2 VAL 80 -14.403 4.554 -15.066 683 H GLY 81 H GLY 81 -14.703 0.174 -14.110 684 1HA GLY 81 2HA GLY 81 -15.900 -1.757 -13.389 685 2HA GLY 81 1HA GLY 81 -17.364 -1.078 -14.098 686 H ARG 82 H ARG 82 -16.636 -0.639 -16.709 687 HA ARG 82 HA ARG 82 -17.048 -3.025 -18.029 688 1HB ARG 82 2HB ARG 82 -15.517 -0.562 -18.849 689 2HB ARG 82 1HB ARG 82 -15.677 -1.934 -19.949 690 1HG ARG 82 2HG ARG 82 -18.095 -0.763 -18.581 691 2HG ARG 82 1HG ARG 82 -17.472 -0.062 -20.075 692 1HD ARG 82 2HD ARG 82 -18.197 -1.805 -21.340 693 2HD ARG 82 1HD ARG 82 -17.725 -2.998 -20.131 694 HE ARG 82 HE ARG 82 -20.372 -1.901 -20.453 695 1HH1 ARG 82 1HH2 ARG 82 -18.660 -4.180 -18.802 696 2HH1 ARG 82 2HH2 ARG 82 -19.544 -4.068 -17.317 697 1HH2 ARG 82 2HH1 ARG 82 -21.263 -1.203 -18.250 698 2HH2 ARG 82 1HH1 ARG 82 -21.021 -2.382 -17.005 699 H VAL 83 H VAL 83 -15.409 -4.218 -19.487 700 HA VAL 83 HA VAL 83 -13.126 -5.010 -17.761 701 HB VAL 83 HB VAL 83 -14.538 -6.838 -18.509 702 1HG1 VAL 83 1HG1 VAL 83 -14.624 -5.267 -20.918 703 2HG1 VAL 83 2HG1 VAL 83 -15.603 -6.669 -20.485 704 3HG1 VAL 83 3HG1 VAL 83 -14.060 -6.893 -21.308 705 1HG2 VAL 83 1HG2 VAL 83 -12.705 -8.118 -18.811 706 2HG2 VAL 83 2HG2 VAL 83 -11.766 -6.638 -19.006 707 3HG2 VAL 83 3HG2 VAL 83 -12.449 -7.442 -20.420 708 H ILE 84 H ILE 84 -11.000 -4.911 -18.483 709 HA ILE 84 HA ILE 84 -10.475 -3.886 -21.214 710 HB ILE 84 HB ILE 84 -8.881 -2.179 -20.144 711 1HG1 ILE 84 2HG1 ILE 84 -9.615 -1.470 -17.837 712 2HG1 ILE 84 1HG1 ILE 84 -10.597 -2.933 -17.758 713 1HG2 ILE 84 1HG2 ILE 84 -11.613 -1.395 -19.314 714 2HG2 ILE 84 2HG2 ILE 84 -11.472 -1.976 -20.974 715 3HG2 ILE 84 3HG2 ILE 84 -10.508 -0.600 -20.434 716 1HD1 ILE 84 1HD1 ILE 84 -7.715 -3.214 -18.499 717 2HD1 ILE 84 2HD1 ILE 84 -8.760 -4.328 -17.619 718 3HD1 ILE 84 3HD1 ILE 84 -8.113 -2.901 -16.810 719 H LYS 85 H LYS 85 -7.942 -3.773 -21.474 720 HA LYS 85 HA LYS 85 -6.869 -6.285 -20.277 721 1HB LYS 85 2HB LYS 85 -5.179 -6.117 -22.140 722 2HB LYS 85 1HB LYS 85 -6.844 -6.288 -22.700 723 1HG LYS 85 2HG LYS 85 -7.013 -3.920 -23.143 724 2HG LYS 85 1HG LYS 85 -5.450 -3.619 -22.383 725 1HD LYS 85 2HD LYS 85 -4.478 -5.226 -24.142 726 2HD LYS 85 1HD LYS 85 -6.017 -5.042 -24.984 727 1HE LYS 85 2HE LYS 85 -4.471 -2.619 -24.088 728 2HE LYS 85 1HE LYS 85 -4.068 -3.427 -25.603 729 1HZ LYS 85 1HZ LYS 85 -5.886 -2.630 -26.581 730 2HZ LYS 85 2HZ LYS 85 -6.009 -1.558 -25.268 731 3HZ LYS 85 3HZ LYS 85 -6.884 -3.014 -25.266 732 H THR 86 H THR 86 -4.936 -6.253 -19.120 733 HA THR 86 HA THR 86 -3.350 -3.776 -18.989 734 HB THR 86 HB THR 86 -3.668 -4.334 -16.292 735 HG1 THR 86 HG1 THR 86 -5.528 -5.257 -16.120 736 1HG2 THR 86 1HG2 THR 86 -5.353 -2.266 -16.605 737 2HG2 THR 86 2HG2 THR 86 -4.619 -2.267 -18.209 738 3HG2 THR 86 3HG2 THR 86 -3.606 -2.091 -16.776 739 H ARG 87 H ARG 87 -1.489 -4.183 -17.292 740 HA ARG 87 HA ARG 87 -0.487 -6.933 -17.825 741 1HB ARG 87 2HB ARG 87 1.215 -4.817 -16.569 742 2HB ARG 87 1HB ARG 87 1.659 -6.069 -17.730 743 1HG ARG 87 2HG ARG 87 0.029 -3.581 -18.323 744 2HG ARG 87 1HG ARG 87 1.694 -3.876 -18.823 745 1HD ARG 87 2HD ARG 87 0.729 -6.030 -19.932 746 2HD ARG 87 1HD ARG 87 -0.827 -5.210 -19.787 747 HE ARG 87 HE ARG 87 1.375 -3.718 -21.095 748 1HH1 ARG 87 2HH1 ARG 87 -1.711 -3.276 -21.119 749 2HH1 ARG 87 1HH1 ARG 87 -2.060 -3.708 -22.760 750 1HH2 ARG 87 1HH2 ARG 87 1.004 -5.244 -23.286 751 2HH2 ARG 87 2HH2 ARG 87 -0.524 -4.823 -23.986 752 H VAL 88 H VAL 88 0.400 -8.190 -16.085 753 HA VAL 88 HA VAL 88 -0.835 -7.538 -13.461 754 HB VAL 88 HB VAL 88 0.394 -10.080 -14.566 755 1HG1 VAL 88 1HG1 VAL 88 0.898 -10.010 -12.208 756 2HG1 VAL 88 2HG1 VAL 88 -0.488 -11.082 -12.414 757 3HG1 VAL 88 3HG1 VAL 88 -0.725 -9.437 -11.824 758 1HG2 VAL 88 1HG2 VAL 88 -1.975 -10.891 -14.218 759 2HG2 VAL 88 2HG2 VAL 88 -1.815 -9.646 -15.456 760 3HG2 VAL 88 3HG2 VAL 88 -2.429 -9.226 -13.857 761 H VAL 89 H VAL 89 0.441 -6.578 -11.973 762 HA VAL 89 HA VAL 89 3.339 -6.505 -12.356 763 HB VAL 89 HB VAL 89 1.518 -5.336 -10.242 764 1HG1 VAL 89 1HG1 VAL 89 3.560 -4.040 -9.570 765 2HG1 VAL 89 2HG1 VAL 89 4.517 -5.084 -10.620 766 3HG1 VAL 89 3HG1 VAL 89 3.684 -5.764 -9.222 767 1HG2 VAL 89 1HG2 VAL 89 2.940 -3.369 -11.660 768 2HG2 VAL 89 2HG2 VAL 89 1.230 -3.765 -11.833 769 3HG2 VAL 89 3HG2 VAL 89 2.424 -4.533 -12.879 770 H ARG 90 H ARG 90 1.047 -8.094 -10.184 771 HA ARG 90 HA ARG 90 2.700 -10.271 -9.562 772 1HB ARG 90 2HB ARG 90 3.650 -7.916 -8.312 773 2HB ARG 90 1HB ARG 90 2.893 -8.880 -7.043 774 1HG ARG 90 2HG ARG 90 4.255 -10.797 -7.588 775 2HG ARG 90 1HG ARG 90 4.893 -9.998 -9.025 776 1HD ARG 90 2HD ARG 90 5.363 -8.237 -6.858 777 2HD ARG 90 1HD ARG 90 5.846 -9.843 -6.310 778 HE ARG 90 HE ARG 90 7.015 -8.395 -8.632 779 1HH1 ARG 90 1HH2 ARG 90 6.624 -11.395 -7.045 780 2HH1 ARG 90 2HH2 ARG 90 8.274 -11.883 -7.244 781 1HH2 ARG 90 2HH1 ARG 90 9.268 -8.875 -8.657 782 2HH2 ARG 90 1HH1 ARG 90 9.771 -10.456 -8.158 783 H ALA 91 H ALA 91 0.847 -11.495 -9.361 784 HA ALA 91 HA ALA 91 -1.312 -10.554 -7.563 785 1HB ALA 91 1HB ALA 91 -1.822 -13.175 -8.580 786 2HB ALA 91 2HB ALA 91 -1.190 -12.193 -9.903 787 3HB ALA 91 3HB ALA 91 -2.622 -11.664 -9.017 788 H ASP 92 H ASP 92 -0.842 -10.957 -5.435 789 HA ASP 92 HA ASP 92 -0.245 -13.765 -4.687 790 1HB ASP 92 2HB ASP 92 1.794 -11.913 -4.790 791 2HB ASP 92 1HB ASP 92 1.277 -11.803 -3.107 792 H GLY 93 H GLY 93 -2.054 -14.152 -3.473 793 1HA GLY 93 2HA GLY 93 -3.343 -14.035 -1.486 794 2HA GLY 93 1HA GLY 93 -2.437 -12.595 -1.021 795 H LEU 94 H LEU 94 -4.905 -12.136 -0.492 796 HA LEU 94 HA LEU 94 -6.724 -11.485 -2.577 797 1HB LEU 94 2HB LEU 94 -6.391 -10.442 0.240 798 2HB LEU 94 1HB LEU 94 -7.685 -9.879 -0.817 799 HG LEU 94 HG LEU 94 -8.043 -12.497 -1.172 800 1HD1 LEU 94 1HD1 LEU 94 -6.509 -12.211 1.400 801 2HD1 LEU 94 2HD1 LEU 94 -6.355 -13.442 0.148 802 3HD1 LEU 94 3HD1 LEU 94 -7.735 -13.468 1.244 803 1HD2 LEU 94 1HD2 LEU 94 -9.118 -10.475 0.634 804 2HD2 LEU 94 2HD2 LEU 94 -9.311 -12.101 1.288 805 3HD2 LEU 94 3HD2 LEU 94 -9.971 -11.705 -0.299 806 H TYR 95 H TYR 95 -3.814 -9.955 -1.608 807 HA TYR 95 HA TYR 95 -4.604 -7.379 -2.870 808 1HB TYR 95 2HB TYR 95 -2.627 -8.222 -0.866 809 2HB TYR 95 1HB TYR 95 -1.964 -7.128 -2.079 810 HD1 TYR 95 HD1 TYR 95 -5.345 -7.401 -0.470 811 HD2 TYR 95 HD2 TYR 95 -1.891 -4.960 -1.227 812 HE1 TYR 95 HE1 TYR 95 -6.451 -5.488 0.658 813 HE2 TYR 95 HE2 TYR 95 -2.997 -3.044 -0.101 814 HH TYR 95 HH TYR 95 -4.737 -2.584 1.451 815 H VAL 96 H VAL 96 -3.857 -6.831 -4.889 816 HA VAL 96 HA VAL 96 -1.584 -8.391 -6.016 817 HB VAL 96 HB VAL 96 -4.219 -7.893 -7.435 818 1HG1 VAL 96 1HG1 VAL 96 -2.800 -7.940 -9.229 819 2HG1 VAL 96 2HG1 VAL 96 -2.853 -9.682 -8.954 820 3HG1 VAL 96 3HG1 VAL 96 -1.512 -8.729 -8.317 821 1HG2 VAL 96 1HG2 VAL 96 -3.396 -9.962 -5.660 822 2HG2 VAL 96 2HG2 VAL 96 -3.416 -10.645 -7.286 823 3HG2 VAL 96 3HG2 VAL 96 -4.869 -9.891 -6.627 824 H ASP 97 H ASP 97 -0.425 -7.246 -7.662 825 HA ASP 97 HA ASP 97 -0.918 -4.307 -7.605 826 1HB ASP 97 2HB ASP 97 1.528 -5.892 -8.459 827 2HB ASP 97 1HB ASP 97 1.416 -4.131 -8.431 828 H LEU 98 H LEU 98 -1.155 -3.155 -9.585 829 HA LEU 98 HA LEU 98 -1.238 -4.814 -12.059 830 1HB LEU 98 2HB LEU 98 -3.522 -3.884 -10.670 831 2HB LEU 98 1HB LEU 98 -3.360 -2.866 -12.102 832 HG LEU 98 HG LEU 98 -4.703 -4.995 -12.445 833 1HD1 LEU 98 1HD1 LEU 98 -3.056 -5.628 -14.487 834 2HD1 LEU 98 2HD1 LEU 98 -2.355 -4.078 -14.024 835 3HD1 LEU 98 3HD1 LEU 98 -4.053 -4.173 -14.485 836 1HD2 LEU 98 1HD2 LEU 98 -3.703 -7.083 -12.296 837 2HD2 LEU 98 2HD2 LEU 98 -2.834 -6.243 -11.013 838 3HD2 LEU 98 3HD2 LEU 98 -2.087 -6.446 -12.598 839 H ARG 99 H ARG 99 -0.523 -3.784 -13.860 840 HA ARG 99 HA ARG 99 -0.298 -0.837 -13.857 841 1HB ARG 99 2HB ARG 99 2.027 -2.754 -13.968 842 2HB ARG 99 1HB ARG 99 2.125 -1.167 -14.735 843 1HG ARG 99 2HG ARG 99 1.197 -0.331 -12.404 844 2HG ARG 99 1HG ARG 99 1.878 -1.851 -11.826 845 1HD ARG 99 2HD ARG 99 3.901 -0.896 -13.424 846 2HD ARG 99 1HD ARG 99 3.247 0.589 -12.733 847 HE ARG 99 HE ARG 99 3.490 -1.074 -10.543 848 1HH1 ARG 99 2HH1 ARG 99 5.319 1.254 -11.836 849 2HH1 ARG 99 1HH1 ARG 99 6.868 0.582 -11.450 850 1HH2 ARG 99 1HH2 ARG 99 5.600 -2.525 -10.580 851 2HH2 ARG 99 2HH2 ARG 99 7.027 -1.556 -10.741 852 H ARG 100 H ARG 100 -0.934 -0.125 -15.819 853 HA ARG 100 HA ARG 100 -1.274 -2.074 -18.003 854 1HB ARG 100 2HB ARG 100 -2.985 -0.275 -17.324 855 2HB ARG 100 1HB ARG 100 -1.909 0.878 -18.112 856 1HG ARG 100 2HG ARG 100 -2.390 -1.491 -19.756 857 2HG ARG 100 1HG ARG 100 -3.879 -0.624 -19.374 858 1HD ARG 100 2HD ARG 100 -1.810 1.272 -20.020 859 2HD ARG 100 1HD ARG 100 -1.934 0.076 -21.309 860 HE ARG 100 HE ARG 100 -4.509 0.656 -21.095 861 1HH1 ARG 100 1HH2 ARG 100 -1.713 2.618 -21.332 862 2HH1 ARG 100 2HH2 ARG 100 -2.591 4.089 -21.583 863 1HH2 ARG 100 2HH1 ARG 100 -5.702 2.617 -21.161 864 2HH2 ARG 100 1HH1 ARG 100 -4.849 4.089 -21.487 865 H PHE 101 H PHE 101 -0.515 -1.488 -20.221 866 HA PHE 101 HA PHE 101 1.211 -0.915 -21.701 867 1HB PHE 101 2HB PHE 101 0.483 1.404 -20.751 868 2HB PHE 101 1HB PHE 101 1.981 1.312 -19.825 869 HD1 PHE 101 HD1 PHE 101 0.844 0.573 -23.332 870 HD2 PHE 101 HD2 PHE 101 3.833 2.332 -20.794 871 HE1 PHE 101 HE1 PHE 101 2.125 1.282 -25.334 872 HE2 PHE 101 HE2 PHE 101 5.115 3.041 -22.797 873 HZ PHE 101 HZ PHE 101 4.260 2.516 -25.066 874 H PHE 102 HN PHE 102 3.245 -1.754 -21.932 875 HA PHE 102 HA PHE 102 5.355 -1.543 -20.034 876 1HB PHE 102 2HB PHE 102 3.583 -3.146 -18.903 877 2HB PHE 102 1HB PHE 102 4.282 -4.344 -19.993 878 HD1 PHE 102 HD1 PHE 102 4.612 -2.757 -16.839 879 HD2 PHE 102 HD2 PHE 102 6.920 -4.412 -20.065 880 HE1 PHE 102 HE1 PHE 102 6.556 -3.014 -15.318 881 HE2 PHE 102 HE2 PHE 102 8.863 -4.669 -18.545 882 HZ PHE 102 HZ PHE 102 8.681 -3.969 -16.171 Start of MODEL 9 1 1H MET 1 1H MET 1 6.670 -52.781 -49.588 2 2H MET 1 2H MET 1 6.544 -51.818 -48.193 3 3H MET 1 3H MET 1 6.180 -51.162 -49.717 4 HA MET 1 HA MET 1 4.171 -51.671 -48.428 5 1HB MET 1 2HB MET 1 4.072 -51.686 -50.876 6 2HB MET 1 1HB MET 1 4.654 -53.351 -50.910 7 1HG MET 1 2HG MET 1 2.641 -54.005 -49.548 8 2HG MET 1 1HG MET 1 2.037 -52.360 -49.745 9 1HE MET 1 1HE MET 1 -0.204 -52.788 -51.198 10 2HE MET 1 2HE MET 1 0.206 -54.277 -50.351 11 3HE MET 1 3HE MET 1 -0.286 -54.339 -52.042 12 H THR 2 H THR 2 4.069 -52.831 -46.528 13 HA THR 2 HA THR 2 4.353 -55.798 -46.770 14 HB THR 2 HB THR 2 4.860 -55.185 -44.094 15 HG1 THR 2 HG1 THR 2 5.723 -53.291 -44.086 16 1HG2 THR 2 1HG2 THR 2 7.311 -55.433 -45.585 17 2HG2 THR 2 2HG2 THR 2 6.086 -56.490 -46.286 18 3HG2 THR 2 3HG2 THR 2 6.504 -56.636 -44.579 19 H VAL 3 H VAL 3 2.890 -53.122 -44.918 20 HA VAL 3 HA VAL 3 0.469 -54.826 -44.587 21 HB VAL 3 HB VAL 3 1.653 -54.990 -42.464 22 1HG1 VAL 3 1HG1 VAL 3 1.563 -52.257 -41.593 23 2HG1 VAL 3 2HG1 VAL 3 2.448 -52.338 -43.117 24 3HG1 VAL 3 3HG1 VAL 3 2.967 -53.313 -41.742 25 1HG2 VAL 3 1HG2 VAL 3 -0.900 -53.624 -42.778 26 2HG2 VAL 3 2HG2 VAL 3 -0.106 -53.168 -41.270 27 3HG2 VAL 3 3HG2 VAL 3 -0.436 -54.866 -41.614 28 H ILE 4 H ILE 4 -1.444 -53.669 -44.831 29 HA ILE 4 HA ILE 4 -1.118 -50.799 -45.553 30 HB ILE 4 HB ILE 4 -3.339 -52.788 -46.103 31 1HG1 ILE 4 2HG1 ILE 4 -1.441 -53.137 -47.544 32 2HG1 ILE 4 1HG1 ILE 4 -2.640 -52.249 -48.486 33 1HG2 ILE 4 1HG2 ILE 4 -4.682 -50.974 -46.232 34 2HG2 ILE 4 2HG2 ILE 4 -3.756 -50.524 -47.664 35 3HG2 ILE 4 3HG2 ILE 4 -3.321 -49.864 -46.088 36 1HD1 ILE 4 1HD1 ILE 4 -0.824 -50.916 -48.936 37 2HD1 ILE 4 2HD1 ILE 4 -0.008 -51.340 -47.431 38 3HD1 ILE 4 3HD1 ILE 4 -1.321 -50.162 -47.422 39 H LYS 5 H LYS 5 -3.926 -52.547 -44.218 40 HA LYS 5 HA LYS 5 -3.824 -51.205 -41.660 41 1HB LYS 5 2HB LYS 5 -5.242 -49.907 -43.910 42 2HB LYS 5 1HB LYS 5 -6.176 -50.045 -42.421 43 1HG LYS 5 2HG LYS 5 -3.452 -49.218 -41.854 44 2HG LYS 5 1HG LYS 5 -4.219 -48.115 -42.997 45 1HD LYS 5 2HD LYS 5 -5.719 -49.017 -40.551 46 2HD LYS 5 1HD LYS 5 -4.542 -47.708 -40.430 47 1HE LYS 5 2HE LYS 5 -6.266 -47.364 -42.747 48 2HE LYS 5 1HE LYS 5 -7.205 -47.471 -41.259 49 1HZ LYS 5 1HZ LYS 5 -5.451 -45.841 -40.361 50 2HZ LYS 5 2HZ LYS 5 -6.673 -45.244 -41.380 51 3HZ LYS 5 3HZ LYS 5 -5.114 -45.530 -41.993 52 HA PRO 6 HA PRO 6 -6.665 -54.846 -42.163 53 1HB PRO 6 2HB PRO 6 -5.202 -56.557 -40.583 54 2HB PRO 6 1HB PRO 6 -4.979 -56.412 -42.335 55 1HG PRO 6 2HG PRO 6 -3.252 -55.387 -40.132 56 2HG PRO 6 1HG PRO 6 -2.813 -55.822 -41.792 57 1HD PRO 6 2HD PRO 6 -3.188 -53.192 -40.808 58 2HD PRO 6 1HD PRO 6 -3.071 -53.662 -42.518 59 H SER 7 H SER 7 -5.626 -52.725 -39.815 60 HA SER 7 HA SER 7 -6.378 -52.199 -37.653 61 1HB SER 7 2HB SER 7 -8.641 -53.173 -39.182 62 2HB SER 7 1HB SER 7 -8.826 -53.573 -37.478 63 HG SER 7 HG SER 7 -9.605 -51.525 -37.729 64 H SER 8 H SER 8 -4.632 -53.698 -36.872 65 HA SER 8 HA SER 8 -5.861 -55.922 -35.319 66 1HB SER 8 2HB SER 8 -4.675 -56.729 -37.459 67 2HB SER 8 1HB SER 8 -3.178 -56.232 -36.674 68 HG SER 8 HG SER 8 -4.075 -57.558 -34.840 69 H ARG 9 H ARG 9 -5.380 -55.576 -33.210 70 HA ARG 9 HA ARG 9 -2.976 -53.940 -32.561 71 1HB ARG 9 2HB ARG 9 -5.649 -54.284 -31.370 72 2HB ARG 9 1HB ARG 9 -4.335 -54.278 -30.193 73 1HG ARG 9 2HG ARG 9 -3.900 -52.221 -32.176 74 2HG ARG 9 1HG ARG 9 -5.495 -52.035 -31.447 75 1HD ARG 9 2HD ARG 9 -4.067 -52.550 -29.223 76 2HD ARG 9 1HD ARG 9 -2.804 -51.804 -30.201 77 HE ARG 9 HE ARG 9 -4.909 -50.052 -30.478 78 1HH1 ARG 9 2HH1 ARG 9 -3.297 -51.567 -27.825 79 2HH1 ARG 9 1HH1 ARG 9 -3.613 -50.268 -26.726 80 1HH2 ARG 9 1HH2 ARG 9 -5.340 -48.360 -29.047 81 2HH2 ARG 9 2HH2 ARG 9 -4.767 -48.454 -27.415 82 HA PRO 10 HA PRO 10 -0.990 -57.530 -30.952 83 1HB PRO 10 2HB PRO 10 0.910 -56.240 -29.445 84 2HB PRO 10 1HB PRO 10 0.984 -56.366 -31.210 85 1HG PRO 10 2HG PRO 10 0.279 -54.009 -29.523 86 2HG PRO 10 1HG PRO 10 0.968 -54.054 -31.155 87 1HD PRO 10 2HD PRO 10 -1.741 -53.541 -30.509 88 2HD PRO 10 1HD PRO 10 -1.105 -53.915 -32.126 89 H ARG 11 H ARG 11 -0.593 -55.212 -28.291 90 HA ARG 11 HA ARG 11 -2.259 -57.011 -26.574 91 1HB ARG 11 2HB ARG 11 0.367 -56.946 -26.280 92 2HB ARG 11 1HB ARG 11 0.026 -55.435 -25.435 93 1HG ARG 11 2HG ARG 11 -1.841 -57.471 -24.594 94 2HG ARG 11 1HG ARG 11 -0.188 -58.053 -24.398 95 1HD ARG 11 2HD ARG 11 0.402 -56.068 -23.108 96 2HD ARG 11 1HD ARG 11 -1.200 -55.381 -23.381 97 HE ARG 11 HE ARG 11 -1.702 -56.557 -21.394 98 1HH1 ARG 11 2HH1 ARG 11 1.095 -58.038 -21.983 99 2HH1 ARG 11 1HH1 ARG 11 0.559 -59.670 -21.762 100 1HH2 ARG 11 1HH2 ARG 11 -2.810 -58.846 -21.792 101 2HH2 ARG 11 2HH2 ARG 11 -1.654 -60.128 -21.655 102 HA PRO 12 HA PRO 12 -4.066 -52.847 -26.289 103 1HB PRO 12 2HB PRO 12 -6.649 -53.773 -26.157 104 2HB PRO 12 1HB PRO 12 -5.793 -53.482 -27.681 105 1HG PRO 12 2HG PRO 12 -6.442 -56.076 -26.361 106 2HG PRO 12 1HG PRO 12 -6.176 -55.725 -28.077 107 1HD PRO 12 2HD PRO 12 -4.307 -56.919 -26.311 108 2HD PRO 12 1HD PRO 12 -3.957 -56.280 -27.932 109 H ARG 13 H ARG 13 -4.110 -51.933 -24.263 110 HA ARG 13 HA ARG 13 -4.637 -53.665 -21.922 111 1HB ARG 13 2HB ARG 13 -2.695 -51.967 -22.108 112 2HB ARG 13 1HB ARG 13 -3.926 -50.733 -21.833 113 1HG ARG 13 2HG ARG 13 -4.258 -52.892 -19.943 114 2HG ARG 13 1HG ARG 13 -2.603 -52.284 -19.878 115 1HD ARG 13 2HD ARG 13 -4.335 -50.031 -20.097 116 2HD ARG 13 1HD ARG 13 -4.975 -51.074 -18.826 117 HE ARG 13 HE ARG 13 -3.105 -50.500 -17.514 118 1HH1 ARG 13 2HH1 ARG 13 -2.998 -48.387 -19.969 119 2HH1 ARG 13 1HH1 ARG 13 -1.275 -48.279 -20.109 120 1HH2 ARG 13 1HH2 ARG 13 -0.671 -51.015 -18.068 121 2HH2 ARG 13 2HH2 ARG 13 0.042 -49.765 -19.032 122 H LYS 14 H LYS 14 -6.802 -52.751 -23.797 123 HA LYS 14 HA LYS 14 -9.017 -51.998 -23.600 124 1HB LYS 14 2HB LYS 14 -8.429 -52.031 -20.624 125 2HB LYS 14 1HB LYS 14 -10.021 -52.060 -21.382 126 1HG LYS 14 2HG LYS 14 -7.890 -54.201 -21.657 127 2HG LYS 14 1HG LYS 14 -9.359 -54.326 -20.689 128 1HD LYS 14 2HD LYS 14 -10.459 -55.070 -22.502 129 2HD LYS 14 1HD LYS 14 -10.162 -53.520 -23.289 130 1HE LYS 14 2HE LYS 14 -8.993 -54.762 -24.795 131 2HE LYS 14 1HE LYS 14 -7.725 -54.736 -23.569 132 1HZ LYS 14 1HZ LYS 14 -9.781 -56.769 -23.261 133 2HZ LYS 14 2HZ LYS 14 -8.106 -56.865 -22.992 134 3HZ LYS 14 3HZ LYS 14 -8.723 -56.973 -24.571 135 H ASN 15 H ASN 15 -10.304 -50.095 -22.368 136 HA ASN 15 HA ASN 15 -8.646 -47.687 -22.798 137 1HB ASN 15 2HB ASN 15 -11.611 -48.043 -22.263 138 2HB ASN 15 1HB ASN 15 -10.832 -46.488 -22.553 139 1HD2 ASN 15 1HD2 ASN 15 -11.424 -49.679 -24.086 140 2HD2 ASN 15 2HD2 ASN 15 -11.298 -49.108 -25.680 141 H LYS 16 H LYS 16 -11.092 -48.534 -20.324 142 HA LYS 16 HA LYS 16 -10.949 -48.366 -17.976 143 1HB LYS 16 2HB LYS 16 -8.318 -48.793 -18.718 144 2HB LYS 16 1HB LYS 16 -8.233 -47.262 -17.844 145 1HG LYS 16 2HG LYS 16 -8.349 -48.409 -15.913 146 2HG LYS 16 1HG LYS 16 -9.976 -48.923 -16.361 147 1HD LYS 16 2HD LYS 16 -8.895 -50.781 -17.717 148 2HD LYS 16 1HD LYS 16 -7.370 -50.344 -16.946 149 1HE LYS 16 2HE LYS 16 -8.046 -51.089 -14.862 150 2HE LYS 16 1HE LYS 16 -9.753 -50.791 -15.196 151 1HZ LYS 16 1HZ LYS 16 -9.854 -52.978 -15.542 152 2HZ LYS 16 2HZ LYS 16 -8.169 -53.142 -15.684 153 3HZ LYS 16 3HZ LYS 16 -9.095 -52.666 -17.026 154 H ASN 17 H ASN 17 -12.187 -46.362 -19.245 155 HA ASN 17 HA ASN 17 -12.863 -44.139 -18.896 156 1HB ASN 17 2HB ASN 17 -11.477 -44.882 -16.520 157 2HB ASN 17 1HB ASN 17 -10.946 -43.256 -16.953 158 1HD2 ASN 17 1HD2 ASN 17 -12.227 -41.754 -15.874 159 2HD2 ASN 17 2HD2 ASN 17 -13.905 -41.881 -15.654 160 H ILE 18 H ILE 18 -12.249 -42.144 -19.790 161 HA ILE 18 HA ILE 18 -9.489 -42.088 -20.931 162 HB ILE 18 HB ILE 18 -10.679 -40.201 -22.366 163 1HG1 ILE 18 2HG1 ILE 18 -13.025 -41.995 -21.708 164 2HG1 ILE 18 1HG1 ILE 18 -12.769 -40.451 -20.895 165 1HG2 ILE 18 1HG2 ILE 18 -11.331 -43.128 -22.803 166 2HG2 ILE 18 2HG2 ILE 18 -9.758 -42.410 -23.148 167 3HG2 ILE 18 3HG2 ILE 18 -11.184 -41.879 -24.039 168 1HD1 ILE 18 1HD1 ILE 18 -13.529 -40.999 -23.728 169 2HD1 ILE 18 2HD1 ILE 18 -12.494 -39.605 -23.419 170 3HD1 ILE 18 3HD1 ILE 18 -14.076 -39.718 -22.647 171 H LYS 19 H LYS 19 -8.113 -40.487 -20.258 172 HA LYS 19 HA LYS 19 -9.307 -38.270 -18.642 173 1HB LYS 19 2HB LYS 19 -7.413 -38.324 -17.187 174 2HB LYS 19 1HB LYS 19 -7.922 -40.002 -17.375 175 1HG LYS 19 2HG LYS 19 -6.222 -39.994 -19.384 176 2HG LYS 19 1HG LYS 19 -5.529 -38.610 -18.538 177 1HD LYS 19 2HD LYS 19 -6.032 -41.328 -17.290 178 2HD LYS 19 1HD LYS 19 -4.464 -40.751 -17.854 179 1HE LYS 19 2HE LYS 19 -6.007 -39.040 -15.943 180 2HE LYS 19 1HE LYS 19 -5.174 -40.461 -15.315 181 1HZ LYS 19 1HZ LYS 19 -3.165 -39.566 -15.700 182 2HZ LYS 19 2HZ LYS 19 -4.009 -38.092 -15.650 183 3HZ LYS 19 3HZ LYS 19 -3.642 -38.815 -17.144 184 H VAL 20 H VAL 20 -8.316 -36.206 -18.862 185 HA VAL 20 HA VAL 20 -6.402 -35.936 -21.141 186 HB VAL 20 HB VAL 20 -8.687 -35.345 -21.900 187 1HG1 VAL 20 1HG1 VAL 20 -8.523 -33.344 -19.626 188 2HG1 VAL 20 2HG1 VAL 20 -9.656 -34.689 -19.763 189 3HG1 VAL 20 3HG1 VAL 20 -9.763 -33.328 -20.881 190 1HG2 VAL 20 1HG2 VAL 20 -8.149 -32.981 -22.602 191 2HG2 VAL 20 2HG2 VAL 20 -6.850 -34.134 -22.910 192 3HG2 VAL 20 3HG2 VAL 20 -6.750 -33.041 -21.529 193 H ASN 21 H ASN 21 -7.770 -34.562 -18.177 194 HA ASN 21 HA ASN 21 -6.884 -33.002 -16.661 195 1HB ASN 21 2HB ASN 21 -4.953 -35.000 -17.213 196 2HB ASN 21 1HB ASN 21 -4.087 -33.464 -17.165 197 1HD2 ASN 21 1HD2 ASN 21 -3.626 -35.296 -15.092 198 2HD2 ASN 21 2HD2 ASN 21 -4.335 -34.726 -13.659 199 H THR 22 H THR 22 -4.765 -31.355 -16.598 200 HA THR 22 HA THR 22 -4.258 -30.125 -19.204 201 HB THR 22 HB THR 22 -5.355 -28.030 -17.558 202 HG1 THR 22 HG1 THR 22 -7.381 -28.745 -17.269 203 1HG2 THR 22 1HG2 THR 22 -6.829 -27.782 -19.591 204 2HG2 THR 22 2HG2 THR 22 -6.088 -29.249 -20.230 205 3HG2 THR 22 3HG2 THR 22 -5.102 -27.815 -19.945 206 H TYR 23 H TYR 23 -2.523 -28.617 -19.074 207 HA TYR 23 HA TYR 23 -0.578 -27.695 -18.141 208 1HB TYR 23 2HB TYR 23 -2.698 -27.323 -16.132 209 2HB TYR 23 1HB TYR 23 -1.069 -27.331 -15.455 210 HD1 TYR 23 HD1 TYR 23 0.510 -26.210 -17.696 211 HD2 TYR 23 HD2 TYR 23 -3.323 -25.045 -16.141 212 HE1 TYR 23 HE1 TYR 23 0.870 -23.903 -18.536 213 HE2 TYR 23 HE2 TYR 23 -2.963 -22.738 -16.981 214 HH TYR 23 HH TYR 23 -1.236 -21.280 -17.661 215 H ARG 24 H ARG 24 0.959 -28.095 -16.077 216 HA ARG 24 HA ARG 24 1.115 -31.062 -15.799 217 1HB ARG 24 2HB ARG 24 3.186 -28.871 -15.764 218 2HB ARG 24 1HB ARG 24 3.534 -30.458 -15.077 219 1HG ARG 24 2HG ARG 24 3.954 -31.246 -17.140 220 2HG ARG 24 1HG ARG 24 2.289 -30.885 -17.601 221 1HD ARG 24 2HD ARG 24 2.961 -28.552 -18.124 222 2HD ARG 24 1HD ARG 24 4.630 -28.961 -17.725 223 HE ARG 24 HE ARG 24 3.270 -30.531 -19.851 224 1HH1 ARG 24 2HH1 ARG 24 6.289 -30.192 -18.954 225 2HH1 ARG 24 1HH1 ARG 24 6.898 -29.376 -20.356 226 1HH2 ARG 24 1HH2 ARG 24 3.753 -28.629 -21.613 227 2HH2 ARG 24 2HH2 ARG 24 5.461 -28.494 -21.862 228 H THR 25 H THR 25 0.649 -28.121 -14.050 229 HA THR 25 HA THR 25 0.269 -29.655 -11.572 230 HB THR 25 HB THR 25 1.845 -27.394 -10.815 231 HG1 THR 25 HG1 THR 25 3.391 -29.112 -12.372 232 1HG2 THR 25 1HG2 THR 25 1.636 -29.377 -9.458 233 2HG2 THR 25 2HG2 THR 25 3.330 -29.229 -9.927 234 3HG2 THR 25 3HG2 THR 25 2.285 -30.389 -10.748 235 H SER 26 H SER 26 0.497 -26.374 -12.974 236 HA SER 26 HA SER 26 -2.212 -25.702 -12.468 237 1HB SER 26 2HB SER 26 -0.295 -25.157 -10.233 238 2HB SER 26 1HB SER 26 -1.560 -23.978 -10.564 239 HG SER 26 HG SER 26 -2.925 -25.298 -9.685 240 H ALA 27 H ALA 27 -2.538 -23.255 -12.668 241 HA ALA 27 HA ALA 27 -0.482 -22.210 -14.546 242 1HB ALA 27 1HB ALA 27 -3.188 -22.334 -14.819 243 2HB ALA 27 2HB ALA 27 -2.178 -21.146 -15.644 244 3HB ALA 27 3HB ALA 27 -3.008 -20.712 -14.149 245 H MET 28 H MET 28 1.060 -21.118 -13.364 246 HA MET 28 HA MET 28 0.297 -19.519 -11.024 247 1HB MET 28 2HB MET 28 2.941 -19.954 -12.438 248 2HB MET 28 1HB MET 28 2.755 -18.939 -11.008 249 1HG MET 28 2HG MET 28 2.675 -20.730 -9.635 250 2HG MET 28 1HG MET 28 1.499 -21.550 -10.663 251 1HE MET 28 1HE MET 28 4.930 -21.223 -9.383 252 2HE MET 28 2HE MET 28 5.282 -20.332 -10.862 253 3HE MET 28 3HE MET 28 6.036 -21.900 -10.585 254 H ASP 29 H ASP 29 2.323 -18.597 -13.803 255 HA ASP 29 HA ASP 29 2.361 -16.615 -15.062 256 1HB ASP 29 2HB ASP 29 -0.452 -15.995 -14.232 257 2HB ASP 29 1HB ASP 29 0.311 -15.823 -15.814 258 H LEU 30 H LEU 30 3.162 -16.562 -12.281 259 HA LEU 30 HA LEU 30 2.156 -13.936 -11.321 260 1HB LEU 30 2HB LEU 30 2.663 -16.204 -9.932 261 2HB LEU 30 1HB LEU 30 4.229 -15.406 -9.784 262 HG LEU 30 HG LEU 30 1.914 -13.629 -9.359 263 1HD1 LEU 30 1HD1 LEU 30 0.819 -15.201 -8.094 264 2HD1 LEU 30 2HD1 LEU 30 1.986 -14.681 -6.876 265 3HD1 LEU 30 3HD1 LEU 30 2.283 -16.145 -7.814 266 1HD2 LEU 30 1HD2 LEU 30 3.856 -13.874 -7.215 267 2HD2 LEU 30 2HD2 LEU 30 3.522 -12.491 -8.258 268 3HD2 LEU 30 3HD2 LEU 30 4.664 -13.731 -8.775 269 H SER 31 H SER 31 4.367 -14.823 -13.493 270 HA SER 31 HA SER 31 6.808 -13.618 -12.623 271 1HB SER 31 2HB SER 31 7.009 -13.245 -15.247 272 2HB SER 31 1HB SER 31 7.114 -14.860 -14.553 273 HG SER 31 HG SER 31 5.481 -14.157 -16.376 274 HA PRO 32 HA PRO 32 5.984 -9.323 -12.974 275 1HB PRO 32 2HB PRO 32 8.415 -8.409 -13.875 276 2HB PRO 32 1HB PRO 32 8.131 -8.959 -12.215 277 1HG PRO 32 2HG PRO 32 9.578 -10.338 -14.426 278 2HG PRO 32 1HG PRO 32 9.786 -10.506 -12.676 279 1HD PRO 32 2HD PRO 32 8.398 -12.310 -14.360 280 2HD PRO 32 1HD PRO 32 8.337 -12.281 -12.585 281 H GLY 33 H GLY 33 4.442 -9.406 -14.772 282 1HA GLY 33 2HA GLY 33 4.262 -7.882 -16.806 283 2HA GLY 33 1HA GLY 33 5.663 -8.757 -17.426 284 H SER 34 H SER 34 2.235 -9.040 -16.645 285 HA SER 34 HA SER 34 2.089 -11.316 -18.561 286 1HB SER 34 2HB SER 34 0.875 -11.236 -15.785 287 2HB SER 34 1HB SER 34 0.415 -12.406 -17.019 288 HG SER 34 HG SER 34 2.814 -12.784 -17.109 289 H VAL 35 H VAL 35 -0.239 -11.663 -19.269 290 HA VAL 35 HA VAL 35 -1.739 -9.074 -19.179 291 HB VAL 35 HB VAL 35 -2.504 -9.562 -21.476 292 1HG1 VAL 35 1HG1 VAL 35 -0.210 -8.425 -20.826 293 2HG1 VAL 35 2HG1 VAL 35 -0.563 -8.804 -22.511 294 3HG1 VAL 35 3HG1 VAL 35 0.479 -9.869 -21.569 295 1HG2 VAL 35 1HG2 VAL 35 -0.615 -11.541 -22.256 296 2HG2 VAL 35 2HG2 VAL 35 -2.373 -11.675 -22.245 297 3HG2 VAL 35 3HG2 VAL 35 -1.444 -12.156 -20.826 298 H HIS 36 H HIS 36 -4.011 -9.239 -18.994 299 HA HIS 36 HA HIS 36 -5.398 -11.775 -19.129 300 1HB HIS 36 2HB HIS 36 -3.994 -11.555 -16.823 301 2HB HIS 36 1HB HIS 36 -5.485 -10.743 -16.347 302 HD1 HIS 36 HD1 HIS 36 -4.846 -13.835 -18.502 303 HD2 HIS 36 HD2 HIS 36 -7.080 -12.666 -15.184 304 HE1 HIS 36 HE1 HIS 36 -6.237 -15.842 -17.832 305 H GLU 37 H GLU 37 -7.714 -11.491 -18.371 306 HA GLU 37 HA GLU 37 -8.554 -8.674 -18.877 307 1HB GLU 37 2HB GLU 37 -9.482 -10.291 -20.448 308 2HB GLU 37 1HB GLU 37 -10.072 -11.289 -19.119 309 1HG GLU 37 2HG GLU 37 -11.737 -9.752 -18.528 310 2HG GLU 37 1HG GLU 37 -10.914 -8.410 -19.323 311 H GLY 38 H GLY 38 -9.783 -7.582 -17.346 312 1HA GLY 38 2HA GLY 38 -10.952 -9.054 -15.081 313 2HA GLY 38 1HA GLY 38 -9.622 -7.973 -14.664 314 H ILE 39 H ILE 39 -11.889 -7.286 -13.479 315 HA ILE 39 HA ILE 39 -13.295 -5.313 -15.201 316 HB ILE 39 HB ILE 39 -13.899 -5.969 -12.309 317 1HG1 ILE 39 2HG1 ILE 39 -13.921 -8.077 -13.543 318 2HG1 ILE 39 1HG1 ILE 39 -15.582 -7.578 -13.225 319 1HG2 ILE 39 1HG2 ILE 39 -14.943 -3.948 -13.283 320 2HG2 ILE 39 2HG2 ILE 39 -16.147 -5.190 -12.943 321 3HG2 ILE 39 3HG2 ILE 39 -15.595 -4.925 -14.597 322 1HD1 ILE 39 1HD1 ILE 39 -15.946 -7.784 -15.443 323 2HD1 ILE 39 2HD1 ILE 39 -14.221 -7.934 -15.778 324 3HD1 ILE 39 3HD1 ILE 39 -14.957 -6.338 -15.644 325 H VAL 40 H VAL 40 -13.396 -3.066 -14.537 326 HA VAL 40 HA VAL 40 -11.036 -2.300 -12.879 327 HB VAL 40 HB VAL 40 -12.640 -0.572 -14.781 328 1HG1 VAL 40 1HG1 VAL 40 -10.432 0.733 -14.700 329 2HG1 VAL 40 2HG1 VAL 40 -10.024 -0.254 -13.296 330 3HG1 VAL 40 3HG1 VAL 40 -11.436 0.803 -13.252 331 1HG2 VAL 40 1HG2 VAL 40 -11.316 -1.262 -16.518 332 2HG2 VAL 40 2HG2 VAL 40 -11.168 -2.727 -15.547 333 3HG2 VAL 40 3HG2 VAL 40 -9.908 -1.495 -15.483 334 H TYR 41 H TYR 41 -11.358 -0.216 -11.600 335 HA TYR 41 HA TYR 41 -14.111 0.345 -10.742 336 1HB TYR 41 2HB TYR 41 -13.065 -1.715 -9.441 337 2HB TYR 41 1HB TYR 41 -12.229 -0.444 -8.548 338 HD1 TYR 41 HD1 TYR 41 -13.314 0.643 -6.781 339 HD2 TYR 41 HD2 TYR 41 -15.644 -1.410 -9.750 340 HE1 TYR 41 HE1 TYR 41 -15.371 1.077 -5.465 341 HE2 TYR 41 HE2 TYR 41 -17.703 -0.978 -8.434 342 HH TYR 41 HH TYR 41 -17.812 -0.274 -5.377 343 H PHE 42 H PHE 42 -14.120 2.170 -9.131 344 HA PHE 42 HA PHE 42 -11.760 3.942 -9.606 345 1HB PHE 42 2HB PHE 42 -14.468 4.404 -10.018 346 2HB PHE 42 1HB PHE 42 -14.156 5.194 -8.473 347 HD1 PHE 42 HD1 PHE 42 -12.353 4.763 -11.748 348 HD2 PHE 42 HD2 PHE 42 -13.576 7.435 -8.613 349 HE1 PHE 42 HE1 PHE 42 -11.258 6.650 -12.930 350 HE2 PHE 42 HE2 PHE 42 -12.481 9.322 -9.794 351 HZ PHE 42 HZ PHE 42 -11.323 8.930 -11.953 352 H LYS 43 H LYS 43 -10.683 4.836 -7.823 353 HA LYS 43 HA LYS 43 -11.839 4.357 -5.131 354 1HB LYS 43 2HB LYS 43 -9.613 2.889 -6.276 355 2HB LYS 43 1HB LYS 43 -9.112 3.772 -4.833 356 1HG LYS 43 2HG LYS 43 -11.718 2.512 -4.482 357 2HG LYS 43 1HG LYS 43 -10.464 1.335 -4.874 358 1HD LYS 43 2HD LYS 43 -10.640 1.717 -2.425 359 2HD LYS 43 1HD LYS 43 -9.060 2.184 -3.052 360 1HE LYS 43 2HE LYS 43 -9.373 4.242 -2.199 361 2HE LYS 43 1HE LYS 43 -10.726 4.460 -3.308 362 1HZ LYS 43 1HZ LYS 43 -12.244 3.828 -1.728 363 2HZ LYS 43 2HZ LYS 43 -11.099 4.633 -0.765 364 3HZ LYS 43 3HZ LYS 43 -11.120 2.936 -0.826 365 H ASP 44 H ASP 44 -12.038 6.571 -4.761 366 HA ASP 44 HA ASP 44 -11.346 8.810 -4.464 367 1HB ASP 44 2HB ASP 44 -9.030 7.270 -3.252 368 2HB ASP 44 1HB ASP 44 -9.396 8.968 -2.941 369 H GLY 45 H GLY 45 -10.511 7.591 -7.048 370 1HA GLY 45 2HA GLY 45 -9.388 9.041 -8.726 371 2HA GLY 45 1HA GLY 45 -8.130 9.337 -7.527 372 H ILE 46 H ILE 46 -7.422 6.893 -6.623 373 HA ILE 46 HA ILE 46 -5.863 5.808 -8.755 374 HB ILE 46 HB ILE 46 -5.349 5.561 -6.303 375 1HG1 ILE 46 2HG1 ILE 46 -5.523 2.783 -7.385 376 2HG1 ILE 46 1HG1 ILE 46 -4.635 3.970 -8.341 377 1HG2 ILE 46 1HG2 ILE 46 -6.755 3.167 -5.768 378 2HG2 ILE 46 2HG2 ILE 46 -7.951 4.310 -6.377 379 3HG2 ILE 46 3HG2 ILE 46 -6.964 4.727 -4.975 380 1HD1 ILE 46 1HD1 ILE 46 -3.613 2.547 -6.193 381 2HD1 ILE 46 2HD1 ILE 46 -4.000 4.116 -5.486 382 3HD1 ILE 46 3HD1 ILE 46 -2.914 4.016 -6.874 383 H PHE 47 H PHE 47 -6.065 3.388 -9.401 384 HA PHE 47 HA PHE 47 -8.952 2.863 -9.975 385 1HB PHE 47 2HB PHE 47 -6.437 2.438 -11.551 386 2HB PHE 47 1HB PHE 47 -7.806 1.360 -11.823 387 HD1 PHE 47 HD1 PHE 47 -6.738 4.923 -11.831 388 HD2 PHE 47 HD2 PHE 47 -9.757 2.092 -12.991 389 HE1 PHE 47 HE1 PHE 47 -7.835 6.662 -13.222 390 HE2 PHE 47 HE2 PHE 47 -10.853 3.829 -14.382 391 HZ PHE 47 HZ PHE 47 -9.891 6.114 -14.498 392 H LYS 48 H LYS 48 -9.656 0.646 -9.878 393 HA LYS 48 HA LYS 48 -7.831 -1.170 -8.363 394 1HB LYS 48 2HB LYS 48 -10.058 0.057 -7.265 395 2HB LYS 48 1HB LYS 48 -10.689 -1.510 -7.776 396 1HG LYS 48 2HG LYS 48 -9.407 -2.669 -6.274 397 2HG LYS 48 1HG LYS 48 -8.049 -1.552 -6.416 398 1HD LYS 48 2HD LYS 48 -9.107 0.054 -4.980 399 2HD LYS 48 1HD LYS 48 -10.634 -0.829 -5.018 400 1HE LYS 48 2HE LYS 48 -9.916 -2.411 -3.519 401 2HE LYS 48 1HE LYS 48 -8.247 -2.340 -4.084 402 1HZ LYS 48 1HZ LYS 48 -7.776 -0.551 -2.769 403 2HZ LYS 48 2HZ LYS 48 -8.918 -1.337 -1.789 404 3HZ LYS 48 3HZ LYS 48 -9.379 0.001 -2.729 405 H VAL 49 H VAL 49 -8.122 -3.408 -8.869 406 HA VAL 49 HA VAL 49 -9.933 -3.931 -11.191 407 HB VAL 49 HB VAL 49 -7.138 -5.041 -10.794 408 1HG1 VAL 49 1HG1 VAL 49 -8.096 -6.668 -12.094 409 2HG1 VAL 49 2HG1 VAL 49 -7.767 -5.506 -13.379 410 3HG1 VAL 49 3HG1 VAL 49 -9.378 -5.601 -12.667 411 1HG2 VAL 49 1HG2 VAL 49 -7.880 -3.292 -13.094 412 2HG2 VAL 49 2HG2 VAL 49 -6.340 -3.441 -12.249 413 3HG2 VAL 49 3HG2 VAL 49 -7.654 -2.510 -11.530 414 H ARG 50 H ARG 50 -11.151 -5.780 -10.997 415 HA ARG 50 HA ARG 50 -10.522 -7.561 -8.674 416 1HB ARG 50 2HB ARG 50 -12.738 -6.064 -8.822 417 2HB ARG 50 1HB ARG 50 -13.290 -7.431 -9.791 418 1HG ARG 50 2HG ARG 50 -12.359 -8.892 -7.846 419 2HG ARG 50 1HG ARG 50 -12.420 -7.399 -6.908 420 1HD ARG 50 2HD ARG 50 -14.870 -7.776 -8.420 421 2HD ARG 50 1HD ARG 50 -14.550 -9.161 -7.377 422 HE ARG 50 HE ARG 50 -14.481 -7.583 -5.462 423 1HH1 ARG 50 1HH2 ARG 50 -14.053 -5.013 -6.847 424 2HH1 ARG 50 2HH2 ARG 50 -15.643 -4.326 -6.893 425 1HH2 ARG 50 2HH1 ARG 50 -17.247 -7.328 -6.223 426 2HH2 ARG 50 1HH1 ARG 50 -17.450 -5.637 -6.541 427 H LEU 51 H LEU 51 -10.226 -9.702 -9.172 428 HA LEU 51 HA LEU 51 -10.390 -10.478 -12.005 429 1HB LEU 51 2HB LEU 51 -8.863 -11.292 -9.729 430 2HB LEU 51 1HB LEU 51 -9.741 -12.700 -10.330 431 HG LEU 51 HG LEU 51 -7.532 -12.425 -11.444 432 1HD1 LEU 51 1HD1 LEU 51 -10.147 -12.482 -12.793 433 2HD1 LEU 51 2HD1 LEU 51 -8.757 -13.550 -12.989 434 3HD1 LEU 51 3HD1 LEU 51 -8.813 -12.010 -13.846 435 1HD2 LEU 51 1HD2 LEU 51 -7.020 -10.521 -12.757 436 2HD2 LEU 51 2HD2 LEU 51 -7.728 -9.845 -11.290 437 3HD2 LEU 51 3HD2 LEU 51 -8.695 -9.967 -12.760 438 H LEU 52 H LEU 52 -12.797 -10.303 -12.062 439 HA LEU 52 HA LEU 52 -14.495 -11.963 -10.470 440 1HB LEU 52 2HB LEU 52 -15.349 -10.085 -11.832 441 2HB LEU 52 1HB LEU 52 -14.926 -10.962 -13.303 442 HG LEU 52 HG LEU 52 -16.401 -12.867 -12.328 443 1HD1 LEU 52 1HD1 LEU 52 -17.403 -10.474 -10.755 444 2HD1 LEU 52 2HD1 LEU 52 -16.635 -11.909 -10.076 445 3HD1 LEU 52 3HD1 LEU 52 -18.213 -12.038 -10.854 446 1HD2 LEU 52 1HD2 LEU 52 -17.017 -10.463 -13.834 447 2HD2 LEU 52 2HD2 LEU 52 -18.436 -11.029 -12.954 448 3HD2 LEU 52 3HD2 LEU 52 -17.607 -12.107 -14.078 449 H GLY 53 H GLY 53 -14.713 -14.141 -10.503 450 1HA GLY 53 2HA GLY 53 -15.207 -16.074 -12.115 451 2HA GLY 53 1HA GLY 53 -13.701 -15.605 -12.907 452 H TYR 54 H TYR 54 -12.760 -14.924 -10.007 453 HA TYR 54 HA TYR 54 -12.047 -17.742 -9.292 454 1HB TYR 54 2HB TYR 54 -10.233 -16.036 -10.161 455 2HB TYR 54 1HB TYR 54 -10.337 -15.396 -8.521 456 HD1 TYR 54 HD1 TYR 54 -9.406 -16.575 -6.659 457 HD2 TYR 54 HD2 TYR 54 -9.642 -18.456 -10.517 458 HE1 TYR 54 HE1 TYR 54 -7.968 -18.427 -5.845 459 HE2 TYR 54 HE2 TYR 54 -8.205 -20.308 -9.702 460 HH TYR 54 HH TYR 54 -7.545 -20.818 -6.428 461 H GLU 55 H GLU 55 -13.187 -14.635 -8.187 462 HA GLU 55 HA GLU 55 -14.042 -13.951 -6.114 463 1HB GLU 55 2HB GLU 55 -14.529 -16.907 -6.182 464 2HB GLU 55 1HB GLU 55 -14.823 -16.035 -4.677 465 1HG GLU 55 2HG GLU 55 -16.111 -14.353 -6.239 466 2HG GLU 55 1HG GLU 55 -16.189 -15.736 -7.332 467 H GLY 56 H GLY 56 -12.073 -13.124 -5.267 468 1HA GLY 56 2HA GLY 56 -11.064 -13.460 -2.912 469 2HA GLY 56 1HA GLY 56 -10.521 -15.012 -3.548 470 H HIS 57 H HIS 57 -10.414 -12.917 -6.100 471 HA HIS 57 HA HIS 57 -7.525 -12.345 -5.585 472 1HB HIS 57 2HB HIS 57 -9.087 -13.038 -8.047 473 2HB HIS 57 1HB HIS 57 -7.647 -12.034 -8.215 474 HD1 HIS 57 HD1 HIS 57 -7.994 -15.130 -9.108 475 HD2 HIS 57 HD2 HIS 57 -5.954 -13.709 -5.762 476 HE1 HIS 57 HE1 HIS 57 -6.322 -16.924 -8.473 477 H GLU 58 H GLU 58 -7.442 -10.268 -4.804 478 HA GLU 58 HA GLU 58 -9.043 -8.197 -6.250 479 1HB GLU 58 2HB GLU 58 -9.094 -8.717 -3.585 480 2HB GLU 58 1HB GLU 58 -7.804 -7.514 -3.644 481 1HG GLU 58 2HG GLU 58 -9.920 -6.641 -5.362 482 2HG GLU 58 1HG GLU 58 -10.619 -7.075 -3.801 483 H CYS 59 H CYS 59 -7.764 -7.193 -7.718 484 HA CYS 59 HA CYS 59 -4.896 -6.737 -7.045 485 1HB CYS 59 2HB CYS 59 -6.106 -6.200 -9.747 486 2HB CYS 59 1HB CYS 59 -4.449 -6.648 -9.343 487 HG CYS 59 HG CYS 59 -5.398 -9.079 -8.741 488 H ILE 60 H ILE 60 -4.060 -4.561 -7.957 489 HA ILE 60 HA ILE 60 -6.116 -2.424 -7.622 490 HB ILE 60 HB ILE 60 -4.298 -1.106 -6.419 491 1HG1 ILE 60 2HG1 ILE 60 -3.049 -3.742 -5.745 492 2HG1 ILE 60 1HG1 ILE 60 -2.592 -2.968 -7.263 493 1HG2 ILE 60 1HG2 ILE 60 -6.095 -3.107 -5.472 494 2HG2 ILE 60 2HG2 ILE 60 -5.493 -1.694 -4.606 495 3HG2 ILE 60 3HG2 ILE 60 -4.618 -3.223 -4.515 496 1HD1 ILE 60 1HD1 ILE 60 -1.091 -1.834 -5.985 497 2HD1 ILE 60 2HD1 ILE 60 -1.959 -2.187 -4.490 498 3HD1 ILE 60 3HD1 ILE 60 -2.483 -0.855 -5.521 499 H LEU 61 H LEU 61 -6.025 -0.972 -9.285 500 HA LEU 61 HA LEU 61 -3.708 -1.159 -11.134 501 1HB LEU 61 2HB LEU 61 -5.909 -1.364 -12.168 502 2HB LEU 61 1HB LEU 61 -6.422 0.159 -11.439 503 HG LEU 61 HG LEU 61 -4.424 1.221 -12.662 504 1HD1 LEU 61 1HD1 LEU 61 -3.373 0.046 -14.389 505 2HD1 LEU 61 2HD1 LEU 61 -4.681 -1.130 -14.518 506 3HD1 LEU 61 3HD1 LEU 61 -3.558 -1.207 -13.161 507 1HD2 LEU 61 1HD2 LEU 61 -7.044 0.355 -13.668 508 2HD2 LEU 61 2HD2 LEU 61 -5.886 0.703 -14.951 509 3HD2 LEU 61 3HD2 LEU 61 -6.276 1.939 -13.756 510 H LEU 62 H LEU 62 -2.110 0.295 -10.841 511 HA LEU 62 HA LEU 62 -2.882 3.064 -10.015 512 1HB LEU 62 2HB LEU 62 -1.040 3.190 -8.478 513 2HB LEU 62 1HB LEU 62 -1.913 1.703 -8.106 514 HG LEU 62 HG LEU 62 -0.212 0.676 -9.876 515 1HD1 LEU 62 1HD1 LEU 62 1.799 2.442 -8.688 516 2HD1 LEU 62 2HD1 LEU 62 0.691 3.301 -9.758 517 3HD1 LEU 62 3HD1 LEU 62 1.611 1.924 -10.364 518 1HD2 LEU 62 1HD2 LEU 62 -0.503 0.150 -7.403 519 2HD2 LEU 62 2HD2 LEU 62 0.724 1.375 -7.079 520 3HD2 LEU 62 3HD2 LEU 62 1.135 -0.058 -8.023 521 H ASP 63 H ASP 63 -0.590 0.956 -11.686 522 HA ASP 63 HA ASP 63 1.154 3.020 -12.634 523 1HB ASP 63 2HB ASP 63 0.522 0.214 -13.475 524 2HB ASP 63 1HB ASP 63 1.451 1.237 -14.570 525 H TYR 64 H TYR 64 -1.923 1.744 -13.815 526 HA TYR 64 HA TYR 64 -1.959 2.829 -16.409 527 1HB TYR 64 2HB TYR 64 -3.772 1.412 -15.609 528 2HB TYR 64 1HB TYR 64 -4.230 2.622 -14.410 529 HD1 TYR 64 HD1 TYR 64 -6.456 3.108 -15.188 530 HD2 TYR 64 HD2 TYR 64 -3.107 3.353 -17.870 531 HE1 TYR 64 HE1 TYR 64 -7.887 4.236 -16.872 532 HE2 TYR 64 HE2 TYR 64 -4.538 4.481 -19.553 533 HH TYR 64 HH TYR 64 -7.285 5.947 -18.944 534 H LEU 65 H LEU 65 -2.948 4.424 -13.359 535 HA LEU 65 HA LEU 65 -3.808 6.878 -14.300 536 1HB LEU 65 2HB LEU 65 -3.626 6.246 -11.885 537 2HB LEU 65 1HB LEU 65 -1.889 6.536 -11.976 538 HG LEU 65 HG LEU 65 -2.670 8.866 -12.981 539 1HD1 LEU 65 1HD1 LEU 65 -4.954 8.253 -11.098 540 2HD1 LEU 65 2HD1 LEU 65 -5.101 8.043 -12.843 541 3HD1 LEU 65 3HD1 LEU 65 -4.769 9.640 -12.172 542 1HD2 LEU 65 1HD2 LEU 65 -1.651 8.014 -10.583 543 2HD2 LEU 65 2HD2 LEU 65 -3.143 8.798 -10.064 544 3HD2 LEU 65 3HD2 LEU 65 -1.945 9.705 -10.989 545 H ASN 66 H ASN 66 -0.439 6.659 -13.142 546 HA ASN 66 HA ASN 66 1.541 7.498 -14.098 547 1HB ASN 66 2HB ASN 66 -0.074 6.723 -16.320 548 2HB ASN 66 1HB ASN 66 0.648 8.285 -16.703 549 1HD2 ASN 66 1HD2 ASN 66 1.693 5.189 -15.148 550 2HD2 ASN 66 2HD2 ASN 66 3.203 5.147 -15.921 551 H TYR 67 H TYR 67 2.456 9.599 -14.512 552 HA TYR 67 HA TYR 67 0.923 11.798 -13.503 553 1HB TYR 67 2HB TYR 67 3.359 12.151 -15.242 554 2HB TYR 67 1HB TYR 67 2.851 13.107 -13.849 555 HD1 TYR 67 HD1 TYR 67 2.464 11.504 -11.646 556 HD2 TYR 67 HD2 TYR 67 5.209 10.793 -14.876 557 HE1 TYR 67 HE1 TYR 67 3.845 10.077 -10.158 558 HE2 TYR 67 HE2 TYR 67 6.591 9.367 -13.387 559 HH TYR 67 HH TYR 67 6.157 9.279 -10.002 560 H ARG 68 H ARG 68 -0.960 12.117 -14.746 561 HA ARG 68 HA ARG 68 -0.488 13.401 -17.374 562 1HB ARG 68 2HB ARG 68 -2.160 10.933 -16.915 563 2HB ARG 68 1HB ARG 68 -2.517 12.040 -18.242 564 1HG ARG 68 2HG ARG 68 0.200 11.731 -18.492 565 2HG ARG 68 1HG ARG 68 -0.295 10.130 -17.939 566 1HD ARG 68 2HD ARG 68 -1.548 9.710 -19.827 567 2HD ARG 68 1HD ARG 68 -1.935 11.413 -20.077 568 HE ARG 68 HE ARG 68 0.233 11.704 -21.135 569 1HH1 ARG 68 1HH2 ARG 68 -0.886 9.231 -22.489 570 2HH1 ARG 68 2HH2 ARG 68 0.478 8.165 -22.436 571 1HH2 ARG 68 2HH1 ARG 68 2.166 10.016 -20.040 572 2HH2 ARG 68 1HH1 ARG 68 2.206 8.609 -21.049 573 H GLN 69 H GLN 69 -3.331 12.224 -15.534 574 HA GLN 69 HA GLN 69 -4.221 15.072 -15.345 575 1HB GLN 69 2HB GLN 69 -6.516 14.364 -15.805 576 2HB GLN 69 1HB GLN 69 -5.469 13.864 -17.134 577 1HG GLN 69 2HG GLN 69 -5.533 11.835 -15.063 578 2HG GLN 69 1HG GLN 69 -7.165 12.212 -15.619 579 1HE2 GLN 69 1HE2 GLN 69 -7.549 12.052 -18.020 580 2HE2 GLN 69 2HE2 GLN 69 -6.590 10.996 -18.940 581 H ASP 70 H ASP 70 -6.433 14.819 -13.822 582 HA ASP 70 HA ASP 70 -5.866 13.018 -11.552 583 1HB ASP 70 2HB ASP 70 -4.631 15.357 -11.373 584 2HB ASP 70 1HB ASP 70 -6.233 15.922 -10.897 585 H THR 71 H THR 71 -7.879 15.598 -12.926 586 HA THR 71 HA THR 71 -10.300 14.097 -12.333 587 HB THR 71 HB THR 71 -10.216 14.966 -10.148 588 HG1 THR 71 HG1 THR 71 -12.174 15.545 -11.001 589 1HG2 THR 71 1HG2 THR 71 -8.548 16.464 -9.830 590 2HG2 THR 71 2HG2 THR 71 -9.766 17.684 -10.200 591 3HG2 THR 71 3HG2 THR 71 -8.689 17.100 -11.468 592 H LEU 72 H LEU 72 -9.384 14.892 -14.763 593 HA LEU 72 HA LEU 72 -11.259 17.109 -15.465 594 1HB LEU 72 2HB LEU 72 -8.584 16.671 -16.813 595 2HB LEU 72 1HB LEU 72 -9.675 18.043 -17.005 596 HG LEU 72 HG LEU 72 -8.782 17.477 -14.232 597 1HD1 LEU 72 1HD1 LEU 72 -6.924 18.121 -16.479 598 2HD1 LEU 72 2HD1 LEU 72 -6.615 17.234 -14.986 599 3HD1 LEU 72 3HD1 LEU 72 -6.700 18.996 -14.963 600 1HD2 LEU 72 1HD2 LEU 72 -9.477 19.797 -15.984 601 2HD2 LEU 72 2HD2 LEU 72 -8.407 20.095 -14.615 602 3HD2 LEU 72 3HD2 LEU 72 -10.018 19.430 -14.347 603 H ASP 73 H ASP 73 -12.341 14.739 -15.713 604 HA ASP 73 HA ASP 73 -12.668 14.358 -18.556 605 1HB ASP 73 2HB ASP 73 -10.598 12.822 -17.259 606 2HB ASP 73 1HB ASP 73 -11.882 11.743 -17.808 607 H ARG 74 H ARG 74 -14.878 14.548 -18.024 608 HA ARG 74 HA ARG 74 -16.142 12.967 -15.964 609 1HB ARG 74 2HB ARG 74 -16.995 14.823 -18.103 610 2HB ARG 74 1HB ARG 74 -18.183 13.593 -17.668 611 1HG ARG 74 2HG ARG 74 -17.197 14.452 -15.209 612 2HG ARG 74 1HG ARG 74 -17.309 15.935 -16.159 613 1HD ARG 74 2HD ARG 74 -19.645 15.443 -16.706 614 2HD ARG 74 1HD ARG 74 -19.547 13.915 -15.831 615 HE ARG 74 HE ARG 74 -19.908 15.138 -13.858 616 1HH1 ARG 74 1HH2 ARG 74 -19.494 17.287 -16.451 617 2HH1 ARG 74 2HH2 ARG 74 -19.141 18.663 -15.462 618 1HH2 ARG 74 2HH1 ARG 74 -19.051 16.853 -12.507 619 2HH2 ARG 74 1HH1 ARG 74 -18.892 18.419 -13.232 620 H LEU 75 H LEU 75 -15.400 12.436 -19.346 621 HA LEU 75 HA LEU 75 -17.194 10.204 -19.733 622 1HB LEU 75 2HB LEU 75 -14.636 10.989 -21.165 623 2HB LEU 75 1HB LEU 75 -15.730 9.715 -21.706 624 HG LEU 75 HG LEU 75 -16.729 12.513 -21.184 625 1HD1 LEU 75 1HD1 LEU 75 -16.528 12.315 -23.919 626 2HD1 LEU 75 2HD1 LEU 75 -15.040 11.531 -23.390 627 3HD1 LEU 75 3HD1 LEU 75 -15.389 13.186 -22.892 628 1HD2 LEU 75 1HD2 LEU 75 -18.438 11.752 -22.866 629 2HD2 LEU 75 2HD2 LEU 75 -18.427 10.783 -21.392 630 3HD2 LEU 75 3HD2 LEU 75 -17.671 10.165 -22.862 631 H LYS 76 H LYS 76 -14.014 10.567 -18.330 632 HA LYS 76 HA LYS 76 -13.140 7.853 -18.509 633 1HB LYS 76 2HB LYS 76 -12.525 10.116 -16.613 634 2HB LYS 76 1HB LYS 76 -11.825 8.514 -16.375 635 1HG LYS 76 2HG LYS 76 -11.619 10.114 -18.942 636 2HG LYS 76 1HG LYS 76 -10.350 10.013 -17.720 637 1HD LYS 76 2HD LYS 76 -11.244 7.359 -18.354 638 2HD LYS 76 1HD LYS 76 -10.853 8.204 -19.852 639 1HE LYS 76 2HE LYS 76 -8.904 8.697 -17.718 640 2HE LYS 76 1HE LYS 76 -9.014 6.997 -18.172 641 1HZ LYS 76 1HZ LYS 76 -7.420 8.061 -19.572 642 2HZ LYS 76 2HZ LYS 76 -8.511 9.299 -19.978 643 3HZ LYS 76 3HZ LYS 76 -8.787 7.711 -20.514 644 H GLU 77 H GLU 77 -15.325 9.483 -16.274 645 HA GLU 77 HA GLU 77 -15.407 7.274 -14.381 646 1HB GLU 77 2HB GLU 77 -17.003 9.787 -14.806 647 2HB GLU 77 1HB GLU 77 -17.600 8.546 -13.706 648 1HG GLU 77 2HG GLU 77 -15.581 8.662 -12.376 649 2HG GLU 77 1HG GLU 77 -14.824 9.748 -13.542 650 H ARG 78 H ARG 78 -17.150 8.158 -17.292 651 HA ARG 78 HA ARG 78 -19.334 6.283 -16.848 652 1HB ARG 78 2HB ARG 78 -19.655 8.262 -18.257 653 2HB ARG 78 1HB ARG 78 -18.402 7.698 -19.363 654 1HG ARG 78 2HG ARG 78 -19.747 5.653 -19.805 655 2HG ARG 78 1HG ARG 78 -21.018 6.289 -18.762 656 1HD ARG 78 2HD ARG 78 -20.071 8.143 -20.865 657 2HD ARG 78 1HD ARG 78 -20.923 6.714 -21.451 658 HE ARG 78 HE ARG 78 -22.799 7.412 -19.874 659 1HH1 ARG 78 2HH1 ARG 78 -20.691 9.713 -19.113 660 2HH1 ARG 78 1HH1 ARG 78 -21.565 11.070 -19.743 661 1HH2 ARG 78 1HH2 ARG 78 -23.827 9.125 -21.511 662 2HH2 ARG 78 2HH2 ARG 78 -23.340 10.736 -21.102 663 H LEU 79 H LEU 79 -16.156 6.120 -18.324 664 HA LEU 79 HA LEU 79 -16.772 3.548 -19.634 665 1HB LEU 79 2HB LEU 79 -14.608 5.545 -19.741 666 2HB LEU 79 1HB LEU 79 -14.059 3.873 -19.862 667 HG LEU 79 HG LEU 79 -16.238 3.836 -21.515 668 1HD1 LEU 79 1HD1 LEU 79 -15.742 5.925 -22.987 669 2HD1 LEU 79 2HD1 LEU 79 -15.037 6.600 -21.518 670 3HD1 LEU 79 3HD1 LEU 79 -16.738 6.137 -21.547 671 1HD2 LEU 79 1HD2 LEU 79 -14.672 3.355 -23.127 672 2HD2 LEU 79 2HD2 LEU 79 -13.599 3.311 -21.730 673 3HD2 LEU 79 3HD2 LEU 79 -13.683 4.759 -22.732 674 H VAL 80 H VAL 80 -14.822 4.744 -16.907 675 HA VAL 80 HA VAL 80 -13.364 2.530 -16.179 676 HB VAL 80 HB VAL 80 -13.207 4.409 -14.755 677 1HG1 VAL 80 1HG1 VAL 80 -15.076 5.388 -13.564 678 2HG1 VAL 80 2HG1 VAL 80 -16.142 4.081 -14.080 679 3HG1 VAL 80 3HG1 VAL 80 -15.528 5.238 -15.261 680 1HG2 VAL 80 1HG2 VAL 80 -13.650 3.509 -12.518 681 2HG2 VAL 80 2HG2 VAL 80 -13.028 2.237 -13.567 682 3HG2 VAL 80 3HG2 VAL 80 -14.751 2.313 -13.202 683 H GLY 81 H GLY 81 -13.828 0.848 -14.519 684 1HA GLY 81 2HA GLY 81 -15.239 -0.798 -13.531 685 2HA GLY 81 1HA GLY 81 -16.631 -0.003 -14.262 686 H ARG 82 H ARG 82 -15.947 0.025 -16.941 687 HA ARG 82 HA ARG 82 -16.798 -2.380 -17.967 688 1HB ARG 82 2HB ARG 82 -16.011 -0.122 -19.136 689 2HB ARG 82 1HB ARG 82 -14.554 -1.069 -19.444 690 1HG ARG 82 2HG ARG 82 -17.057 -2.523 -19.978 691 2HG ARG 82 1HG ARG 82 -16.808 -1.121 -21.017 692 1HD ARG 82 2HD ARG 82 -15.025 -2.063 -22.079 693 2HD ARG 82 1HD ARG 82 -14.413 -2.805 -20.601 694 HE ARG 82 HE ARG 82 -16.312 -4.512 -20.948 695 1HH1 ARG 82 1HH2 ARG 82 -13.837 -4.072 -22.997 696 2HH1 ARG 82 2HH2 ARG 82 -14.625 -4.627 -24.436 697 1HH2 ARG 82 2HH1 ARG 82 -17.789 -4.639 -23.019 698 2HH2 ARG 82 1HH1 ARG 82 -16.862 -4.949 -24.449 699 H VAL 83 H VAL 83 -15.549 -4.102 -19.161 700 HA VAL 83 HA VAL 83 -13.280 -5.006 -17.464 701 HB VAL 83 HB VAL 83 -15.149 -6.587 -17.780 702 1HG1 VAL 83 1HG1 VAL 83 -14.830 -5.695 -20.547 703 2HG1 VAL 83 2HG1 VAL 83 -16.211 -6.473 -19.773 704 3HG1 VAL 83 3HG1 VAL 83 -14.891 -7.453 -20.412 705 1HG2 VAL 83 1HG2 VAL 83 -13.623 -8.341 -19.166 706 2HG2 VAL 83 2HG2 VAL 83 -13.291 -7.903 -17.489 707 3HG2 VAL 83 3HG2 VAL 83 -12.405 -7.119 -18.798 708 H ILE 84 H ILE 84 -11.236 -5.382 -18.361 709 HA ILE 84 HA ILE 84 -10.877 -5.102 -21.281 710 HB ILE 84 HB ILE 84 -9.404 -3.229 -21.170 711 1HG1 ILE 84 2HG1 ILE 84 -8.182 -3.852 -19.147 712 2HG1 ILE 84 1HG1 ILE 84 -8.772 -2.199 -18.985 713 1HG2 ILE 84 1HG2 ILE 84 -10.807 -1.474 -20.071 714 2HG2 ILE 84 2HG2 ILE 84 -11.781 -2.753 -19.347 715 3HG2 ILE 84 3HG2 ILE 84 -11.742 -2.560 -21.099 716 1HD1 ILE 84 1HD1 ILE 84 -10.874 -3.464 -17.914 717 2HD1 ILE 84 2HD1 ILE 84 -9.466 -3.028 -16.949 718 3HD1 ILE 84 3HD1 ILE 84 -9.641 -4.673 -17.561 719 H LYS 85 H LYS 85 -8.370 -5.254 -21.733 720 HA LYS 85 HA LYS 85 -7.360 -7.508 -20.073 721 1HB LYS 85 2HB LYS 85 -7.562 -7.702 -22.607 722 2HB LYS 85 1HB LYS 85 -6.260 -6.517 -22.715 723 1HG LYS 85 2HG LYS 85 -4.673 -7.975 -21.871 724 2HG LYS 85 1HG LYS 85 -5.859 -8.894 -20.943 725 1HD LYS 85 2HD LYS 85 -6.632 -9.207 -23.626 726 2HD LYS 85 1HD LYS 85 -4.876 -9.373 -23.632 727 1HE LYS 85 2HE LYS 85 -5.349 -11.532 -23.053 728 2HE LYS 85 1HE LYS 85 -5.486 -10.845 -21.434 729 1HZ LYS 85 1HZ LYS 85 -7.913 -10.383 -22.204 730 2HZ LYS 85 2HZ LYS 85 -7.476 -11.921 -21.631 731 3HZ LYS 85 3HZ LYS 85 -7.606 -11.640 -23.301 732 H THR 86 H THR 86 -6.231 -6.623 -18.362 733 HA THR 86 HA THR 86 -4.295 -4.432 -18.972 734 HB THR 86 HB THR 86 -4.301 -4.011 -16.535 735 HG1 THR 86 HG1 THR 86 -5.660 -6.400 -16.596 736 1HG2 THR 86 1HG2 THR 86 -6.325 -2.875 -16.524 737 2HG2 THR 86 2HG2 THR 86 -7.191 -4.199 -17.301 738 3HG2 THR 86 3HG2 THR 86 -6.120 -3.170 -18.251 739 H ARG 87 H ARG 87 -2.295 -4.600 -17.393 740 HA ARG 87 HA ARG 87 -1.256 -7.378 -17.690 741 1HB ARG 87 2HB ARG 87 0.601 -5.197 -16.916 742 2HB ARG 87 1HB ARG 87 0.812 -6.487 -18.100 743 1HG ARG 87 2HG ARG 87 -0.815 -3.954 -18.465 744 2HG ARG 87 1HG ARG 87 0.702 -4.354 -19.270 745 1HD ARG 87 2HD ARG 87 -1.275 -6.469 -19.595 746 2HD ARG 87 1HD ARG 87 -1.862 -4.926 -20.216 747 HE ARG 87 HE ARG 87 0.780 -6.041 -21.067 748 1HH1 ARG 87 2HH1 ARG 87 -2.261 -6.276 -22.204 749 2HH1 ARG 87 1HH1 ARG 87 -2.031 -5.362 -23.657 750 1HH2 ARG 87 1HH2 ARG 87 1.076 -4.144 -22.714 751 2HH2 ARG 87 2HH2 ARG 87 -0.141 -4.155 -23.946 752 H VAL 88 H VAL 88 0.007 -8.275 -15.899 753 HA VAL 88 HA VAL 88 -1.053 -7.365 -13.277 754 HB VAL 88 HB VAL 88 0.354 -9.907 -14.141 755 1HG1 VAL 88 1HG1 VAL 88 -0.579 -10.441 -11.655 756 2HG1 VAL 88 2HG1 VAL 88 -0.177 -8.735 -11.462 757 3HG1 VAL 88 3HG1 VAL 88 1.065 -9.883 -11.963 758 1HG2 VAL 88 1HG2 VAL 88 -1.730 -10.700 -14.467 759 2HG2 VAL 88 2HG2 VAL 88 -2.353 -9.073 -14.190 760 3HG2 VAL 88 3HG2 VAL 88 -2.209 -10.204 -12.844 761 H VAL 89 H VAL 89 0.231 -5.788 -12.448 762 HA VAL 89 HA VAL 89 2.979 -5.433 -13.038 763 HB VAL 89 HB VAL 89 1.221 -4.473 -10.789 764 1HG1 VAL 89 1HG1 VAL 89 3.164 -4.264 -9.592 765 2HG1 VAL 89 2HG1 VAL 89 3.389 -2.850 -10.621 766 3HG1 VAL 89 3HG1 VAL 89 4.179 -4.373 -11.030 767 1HG2 VAL 89 1HG2 VAL 89 2.587 -3.136 -13.142 768 2HG2 VAL 89 2HG2 VAL 89 1.605 -2.301 -11.940 769 3HG2 VAL 89 3HG2 VAL 89 0.867 -3.495 -13.005 770 H ARG 90 H ARG 90 1.420 -7.071 -10.266 771 HA ARG 90 HA ARG 90 3.439 -9.038 -9.999 772 1HB ARG 90 2HB ARG 90 4.863 -7.077 -9.388 773 2HB ARG 90 1HB ARG 90 3.776 -6.747 -8.041 774 1HG ARG 90 2HG ARG 90 4.243 -8.989 -7.113 775 2HG ARG 90 1HG ARG 90 5.342 -9.311 -8.455 776 1HD ARG 90 2HD ARG 90 5.936 -6.776 -7.133 777 2HD ARG 90 1HD ARG 90 6.036 -8.144 -6.024 778 HE ARG 90 HE ARG 90 7.407 -8.903 -8.372 779 1HH1 ARG 90 2HH1 ARG 90 7.547 -6.094 -6.430 780 2HH1 ARG 90 1HH1 ARG 90 9.271 -6.118 -6.263 781 1HH2 ARG 90 1HH2 ARG 90 9.656 -9.137 -7.923 782 2HH2 ARG 90 2HH2 ARG 90 10.464 -7.840 -7.107 783 H ALA 91 H ALA 91 1.853 -10.468 -9.381 784 HA ALA 91 HA ALA 91 -0.160 -9.773 -7.381 785 1HB ALA 91 1HB ALA 91 0.566 -12.321 -8.836 786 2HB ALA 91 2HB ALA 91 -0.882 -11.333 -9.024 787 3HB ALA 91 3HB ALA 91 -0.653 -12.294 -7.563 788 H ASP 92 H ASP 92 -0.309 -10.733 -5.257 789 HA ASP 92 HA ASP 92 1.808 -12.420 -4.220 790 1HB ASP 92 2HB ASP 92 2.882 -10.102 -4.416 791 2HB ASP 92 1HB ASP 92 1.774 -9.596 -3.141 792 H GLY 93 H GLY 93 -0.678 -13.126 -3.967 793 1HA GLY 93 2HA GLY 93 -1.798 -13.937 -1.934 794 2HA GLY 93 1HA GLY 93 -1.406 -12.400 -1.164 795 H LEU 94 H LEU 94 -3.684 -12.154 -0.655 796 HA LEU 94 HA LEU 94 -5.770 -12.147 -2.597 797 1HB LEU 94 2HB LEU 94 -5.407 -11.250 0.177 798 2HB LEU 94 1HB LEU 94 -6.561 -10.271 -0.730 799 HG LEU 94 HG LEU 94 -6.822 -13.185 -1.141 800 1HD1 LEU 94 1HD1 LEU 94 -8.196 -13.187 1.105 801 2HD1 LEU 94 2HD1 LEU 94 -7.086 -11.893 1.559 802 3HD1 LEU 94 3HD1 LEU 94 -6.459 -13.489 1.144 803 1HD2 LEU 94 1HD2 LEU 94 -8.359 -10.804 -1.391 804 2HD2 LEU 94 2HD2 LEU 94 -9.170 -11.816 -0.196 805 3HD2 LEU 94 3HD2 LEU 94 -8.844 -12.448 -1.810 806 H TYR 95 H TYR 95 -3.348 -9.754 -1.774 807 HA TYR 95 HA TYR 95 -4.724 -7.753 -3.496 808 1HB TYR 95 2HB TYR 95 -2.781 -7.618 -1.266 809 2HB TYR 95 1HB TYR 95 -2.509 -6.467 -2.574 810 HD1 TYR 95 HD1 TYR 95 -4.509 -5.063 -3.378 811 HD2 TYR 95 HD2 TYR 95 -4.488 -7.243 0.326 812 HE1 TYR 95 HE1 TYR 95 -6.381 -3.664 -2.543 813 HE2 TYR 95 HE2 TYR 95 -6.359 -5.844 1.160 814 HH TYR 95 HH TYR 95 -8.351 -4.255 -0.511 815 H VAL 96 H VAL 96 -3.836 -7.110 -5.440 816 HA VAL 96 HA VAL 96 -1.172 -8.246 -6.176 817 HB VAL 96 HB VAL 96 -3.761 -8.379 -7.732 818 1HG1 VAL 96 1HG1 VAL 96 -2.294 -9.354 -9.565 819 2HG1 VAL 96 2HG1 VAL 96 -0.909 -8.700 -8.692 820 3HG1 VAL 96 3HG1 VAL 96 -2.143 -7.613 -9.328 821 1HG2 VAL 96 1HG2 VAL 96 -2.189 -10.211 -6.156 822 2HG2 VAL 96 2HG2 VAL 96 -2.236 -10.764 -7.831 823 3HG2 VAL 96 3HG2 VAL 96 -3.739 -10.490 -6.951 824 H ASP 97 H ASP 97 -0.207 -7.088 -8.071 825 HA ASP 97 HA ASP 97 -0.928 -4.202 -7.969 826 1HB ASP 97 2HB ASP 97 1.533 -5.474 -9.202 827 2HB ASP 97 1HB ASP 97 1.295 -3.772 -8.801 828 H LEU 98 H LEU 98 -1.408 -3.067 -9.926 829 HA LEU 98 HA LEU 98 -1.622 -4.748 -12.381 830 1HB LEU 98 2HB LEU 98 -3.800 -4.058 -10.783 831 2HB LEU 98 1HB LEU 98 -3.844 -2.880 -12.092 832 HG LEU 98 HG LEU 98 -5.119 -5.017 -12.553 833 1HD1 LEU 98 1HD1 LEU 98 -3.583 -5.361 -14.778 834 2HD1 LEU 98 2HD1 LEU 98 -3.021 -3.784 -14.231 835 3HD1 LEU 98 3HD1 LEU 98 -4.730 -4.039 -14.572 836 1HD2 LEU 98 1HD2 LEU 98 -2.653 -6.447 -13.268 837 2HD2 LEU 98 2HD2 LEU 98 -4.105 -7.048 -12.469 838 3HD2 LEU 98 3HD2 LEU 98 -2.857 -6.228 -11.531 839 H ARG 99 H ARG 99 -1.160 -3.689 -14.258 840 HA ARG 99 HA ARG 99 -0.924 -0.717 -14.192 841 1HB ARG 99 2HB ARG 99 1.346 -1.396 -13.945 842 2HB ARG 99 1HB ARG 99 1.153 -2.722 -15.090 843 1HG ARG 99 2HG ARG 99 1.058 -1.254 -16.949 844 2HG ARG 99 1HG ARG 99 0.767 0.153 -15.926 845 1HD ARG 99 2HD ARG 99 3.097 0.133 -16.714 846 2HD ARG 99 1HD ARG 99 3.037 -0.089 -14.965 847 HE ARG 99 HE ARG 99 3.106 -2.579 -16.527 848 1HH1 ARG 99 1HH2 ARG 99 5.472 -0.390 -16.553 849 2HH1 ARG 99 2HH2 ARG 99 6.586 -1.223 -15.523 850 1HH2 ARG 99 2HH1 ARG 99 4.254 -3.556 -14.449 851 2HH2 ARG 99 1HH1 ARG 99 5.896 -3.017 -14.330 852 H ARG 100 H ARG 100 -1.939 0.180 -15.940 853 HA ARG 100 HA ARG 100 -2.902 -1.648 -18.068 854 1HB ARG 100 2HB ARG 100 -4.446 -0.019 -16.875 855 2HB ARG 100 1HB ARG 100 -3.572 1.280 -17.688 856 1HG ARG 100 2HG ARG 100 -4.418 -0.895 -19.483 857 2HG ARG 100 1HG ARG 100 -5.755 -0.023 -18.732 858 1HD ARG 100 2HD ARG 100 -4.035 2.017 -19.446 859 2HD ARG 100 1HD ARG 100 -3.855 0.879 -20.780 860 HE ARG 100 HE ARG 100 -6.279 2.394 -20.124 861 1HH1 ARG 100 2HH1 ARG 100 -6.378 -0.773 -20.604 862 2HH1 ARG 100 1HH1 ARG 100 -6.992 -0.763 -22.224 863 1HH2 ARG 100 1HH2 ARG 100 -6.420 2.622 -22.704 864 2HH2 ARG 100 2HH2 ARG 100 -7.015 1.158 -23.412 865 H PHE 101 H PHE 101 -1.289 -1.911 -19.586 866 HA PHE 101 HA PHE 101 0.751 -0.131 -20.277 867 1HB PHE 101 2HB PHE 101 1.024 -1.387 -22.290 868 2HB PHE 101 1HB PHE 101 0.400 -2.528 -21.100 869 HD1 PHE 101 HD1 PHE 101 -2.053 -3.107 -21.094 870 HD2 PHE 101 HD2 PHE 101 -0.229 -0.820 -24.244 871 HE1 PHE 101 HE1 PHE 101 -3.999 -3.574 -22.561 872 HE2 PHE 101 HE2 PHE 101 -2.175 -1.286 -25.709 873 HZ PHE 101 HZ PHE 101 -4.060 -2.663 -24.868 874 H PHE 102 HN PHE 102 0.935 1.591 -21.742 875 HA PHE 102 HA PHE 102 -1.053 2.378 -23.625 876 1HB PHE 102 2HB PHE 102 -2.422 2.795 -21.605 877 2HB PHE 102 1HB PHE 102 -1.174 3.877 -20.990 878 HD1 PHE 102 HD1 PHE 102 -3.205 3.328 -24.101 879 HD2 PHE 102 HD2 PHE 102 -1.373 6.158 -21.436 880 HE1 PHE 102 HE1 PHE 102 -4.169 5.194 -25.420 881 HE2 PHE 102 HE2 PHE 102 -2.338 8.025 -22.756 882 HZ PHE 102 HZ PHE 102 -3.736 7.543 -24.748 Start of MODEL 10 1 1H MET 1 1H MET 1 42.706 -15.671 -5.371 2 2H MET 1 2H MET 1 42.675 -14.067 -5.929 3 3H MET 1 3H MET 1 43.100 -15.328 -6.985 4 HA MET 1 HA MET 1 40.849 -16.267 -6.728 5 1HB MET 1 2HB MET 1 40.515 -13.701 -5.152 6 2HB MET 1 1HB MET 1 39.152 -14.618 -5.797 7 1HG MET 1 2HG MET 1 40.503 -16.619 -4.582 8 2HG MET 1 1HG MET 1 40.976 -15.272 -3.547 9 1HE MET 1 1HE MET 1 36.782 -16.311 -4.845 10 2HE MET 1 2HE MET 1 37.699 -17.718 -4.312 11 3HE MET 1 3HE MET 1 38.338 -16.690 -5.594 12 H THR 2 H THR 2 39.841 -15.981 -8.675 13 HA THR 2 HA THR 2 39.786 -13.285 -9.903 14 HB THR 2 HB THR 2 40.857 -13.961 -11.930 15 HG1 THR 2 HG1 THR 2 40.470 -15.945 -12.470 16 1HG2 THR 2 1HG2 THR 2 42.534 -15.350 -9.848 17 2HG2 THR 2 2HG2 THR 2 42.290 -13.605 -9.798 18 3HG2 THR 2 3HG2 THR 2 43.061 -14.347 -11.199 19 H VAL 3 H VAL 3 37.673 -13.037 -10.450 20 HA VAL 3 HA VAL 3 35.865 -15.269 -10.728 21 HB VAL 3 HB VAL 3 35.461 -12.411 -11.659 22 1HG1 VAL 3 1HG1 VAL 3 33.878 -14.414 -12.304 23 2HG1 VAL 3 2HG1 VAL 3 33.179 -12.900 -11.729 24 3HG1 VAL 3 3HG1 VAL 3 33.337 -14.271 -10.631 25 1HG2 VAL 3 1HG2 VAL 3 34.221 -13.127 -9.136 26 2HG2 VAL 3 2HG2 VAL 3 35.298 -11.779 -9.500 27 3HG2 VAL 3 3HG2 VAL 3 35.968 -13.348 -9.054 28 H ILE 4 H ILE 4 35.275 -16.375 -12.557 29 HA ILE 4 HA ILE 4 36.350 -15.365 -15.161 30 HB ILE 4 HB ILE 4 36.007 -18.265 -14.341 31 1HG1 ILE 4 2HG1 ILE 4 38.613 -16.777 -14.701 32 2HG1 ILE 4 1HG1 ILE 4 37.819 -16.888 -13.130 33 1HG2 ILE 4 1HG2 ILE 4 37.800 -17.495 -16.555 34 2HG2 ILE 4 2HG2 ILE 4 36.092 -17.175 -16.856 35 3HG2 ILE 4 3HG2 ILE 4 36.626 -18.809 -16.461 36 1HD1 ILE 4 1HD1 ILE 4 38.210 -19.404 -14.705 37 2HD1 ILE 4 2HD1 ILE 4 38.168 -19.172 -12.957 38 3HD1 ILE 4 3HD1 ILE 4 39.601 -18.708 -13.874 39 H LYS 5 H LYS 5 34.101 -17.961 -14.159 40 HA LYS 5 HA LYS 5 32.016 -18.534 -15.101 41 1HB LYS 5 2HB LYS 5 31.949 -15.917 -13.922 42 2HB LYS 5 1HB LYS 5 30.886 -15.930 -15.330 43 1HG LYS 5 2HG LYS 5 30.369 -18.371 -14.095 44 2HG LYS 5 1HG LYS 5 30.550 -17.250 -12.746 45 1HD LYS 5 2HD LYS 5 28.587 -16.239 -13.208 46 2HD LYS 5 1HD LYS 5 28.998 -16.077 -14.916 47 1HE LYS 5 2HE LYS 5 27.765 -17.882 -15.482 48 2HE LYS 5 1HE LYS 5 28.444 -18.847 -14.172 49 1HZ LYS 5 1HZ LYS 5 26.860 -17.019 -12.912 50 2HZ LYS 5 2HZ LYS 5 26.469 -18.646 -13.208 51 3HZ LYS 5 3HZ LYS 5 25.960 -17.438 -14.288 52 HA PRO 6 HA PRO 6 33.153 -17.260 -19.357 53 1HB PRO 6 2HB PRO 6 33.212 -19.831 -20.331 54 2HB PRO 6 1HB PRO 6 34.609 -19.033 -19.590 55 1HG PRO 6 2HG PRO 6 32.847 -21.157 -18.463 56 2HG PRO 6 1HG PRO 6 34.536 -20.781 -18.083 57 1HD PRO 6 2HD PRO 6 32.284 -20.065 -16.520 58 2HD PRO 6 1HD PRO 6 33.932 -19.429 -16.334 59 H SER 7 H SER 7 31.441 -16.646 -20.628 60 HA SER 7 HA SER 7 28.769 -17.554 -20.219 61 1HB SER 7 2HB SER 7 30.176 -15.820 -22.146 62 2HB SER 7 1HB SER 7 28.733 -16.597 -22.791 63 HG SER 7 HG SER 7 28.849 -15.207 -20.316 64 H SER 8 H SER 8 27.639 -19.250 -21.105 65 HA SER 8 HA SER 8 28.914 -20.763 -23.338 66 1HB SER 8 2HB SER 8 29.433 -21.900 -21.185 67 2HB SER 8 1HB SER 8 27.709 -22.004 -20.844 68 HG SER 8 HG SER 8 27.974 -23.847 -21.870 69 H ARG 9 H ARG 9 27.356 -20.075 -24.836 70 HA ARG 9 HA ARG 9 24.519 -20.082 -24.223 71 1HB ARG 9 2HB ARG 9 26.129 -19.789 -26.758 72 2HB ARG 9 1HB ARG 9 24.369 -19.896 -26.804 73 1HG ARG 9 2HG ARG 9 25.529 -17.992 -24.834 74 2HG ARG 9 1HG ARG 9 25.671 -17.548 -26.536 75 1HD ARG 9 2HD ARG 9 23.327 -17.563 -26.857 76 2HD ARG 9 1HD ARG 9 23.046 -18.479 -25.376 77 HE ARG 9 HE ARG 9 23.849 -16.366 -24.165 78 1HH1 ARG 9 1HH2 ARG 9 24.498 -14.857 -26.692 79 2HH1 ARG 9 2HH2 ARG 9 23.084 -13.875 -26.890 80 1HH2 ARG 9 2HH1 ARG 9 21.157 -15.743 -24.694 81 2HH2 ARG 9 1HH1 ARG 9 21.192 -14.379 -25.762 82 HA PRO 10 HA PRO 10 23.729 -24.337 -25.024 83 1HB PRO 10 2HB PRO 10 21.018 -24.131 -25.431 84 2HB PRO 10 1HB PRO 10 21.777 -24.046 -23.832 85 1HG PRO 10 2HG PRO 10 20.625 -21.844 -25.481 86 2HG PRO 10 1HG PRO 10 20.804 -21.953 -23.722 87 1HD PRO 10 2HD PRO 10 22.472 -20.477 -25.469 88 2HD PRO 10 1HD PRO 10 22.822 -20.867 -23.772 89 H ARG 11 H ARG 11 24.883 -24.362 -27.119 90 HA ARG 11 HA ARG 11 23.157 -25.031 -29.335 91 1HB ARG 11 2HB ARG 11 23.628 -22.302 -29.081 92 2HB ARG 11 1HB ARG 11 24.835 -22.816 -30.259 93 1HG ARG 11 2HG ARG 11 21.988 -23.753 -30.518 94 2HG ARG 11 1HG ARG 11 22.451 -22.154 -31.105 95 1HD ARG 11 2HD ARG 11 24.048 -23.071 -32.628 96 2HD ARG 11 1HD ARG 11 23.952 -24.664 -31.876 97 HE ARG 11 HE ARG 11 22.383 -23.996 -34.032 98 1HH1 ARG 11 1HH2 ARG 11 22.143 -25.912 -31.341 99 2HH1 ARG 11 2HH2 ARG 11 20.414 -26.017 -31.327 100 1HH2 ARG 11 2HH1 ARG 11 19.983 -23.571 -33.748 101 2HH2 ARG 11 1HH1 ARG 11 19.191 -24.690 -32.689 102 HA PRO 12 HA PRO 12 27.509 -26.628 -29.333 103 1HB PRO 12 2HB PRO 12 26.820 -29.269 -28.994 104 2HB PRO 12 1HB PRO 12 27.146 -28.160 -27.650 105 1HG PRO 12 2HG PRO 12 24.531 -29.215 -28.620 106 2HG PRO 12 1HG PRO 12 24.985 -28.654 -27.002 107 1HD PRO 12 2HD PRO 12 23.489 -27.188 -28.910 108 2HD PRO 12 1HD PRO 12 24.220 -26.536 -27.428 109 H ARG 13 H ARG 13 24.615 -28.234 -30.716 110 HA ARG 13 HA ARG 13 25.501 -27.895 -33.423 111 1HB ARG 13 2HB ARG 13 27.169 -29.600 -32.715 112 2HB ARG 13 1HB ARG 13 25.846 -30.690 -32.296 113 1HG ARG 13 2HG ARG 13 25.431 -31.216 -34.466 114 2HG ARG 13 1HG ARG 13 25.644 -29.550 -35.005 115 1HD ARG 13 2HD ARG 13 28.129 -29.857 -34.723 116 2HD ARG 13 1HD ARG 13 27.827 -31.567 -34.413 117 HE ARG 13 HE ARG 13 28.131 -30.629 -36.966 118 1HH1 ARG 13 2HH1 ARG 13 27.130 -33.393 -36.501 119 2HH1 ARG 13 1HH1 ARG 13 25.588 -33.371 -37.290 120 1HH2 ARG 13 1HH2 ARG 13 25.407 -29.910 -37.417 121 2HH2 ARG 13 2HH2 ARG 13 24.611 -31.399 -37.806 122 H LYS 14 H LYS 14 23.083 -27.752 -31.707 123 HA LYS 14 HA LYS 14 20.815 -28.392 -31.758 124 1HB LYS 14 2HB LYS 14 20.837 -27.228 -33.848 125 2HB LYS 14 1HB LYS 14 21.683 -28.550 -34.653 126 1HG LYS 14 2HG LYS 14 19.731 -29.546 -35.156 127 2HG LYS 14 1HG LYS 14 19.269 -29.560 -33.452 128 1HD LYS 14 2HD LYS 14 19.064 -26.880 -34.527 129 2HD LYS 14 1HD LYS 14 18.119 -28.008 -35.502 130 1HE LYS 14 2HE LYS 14 17.409 -28.889 -33.070 131 2HE LYS 14 1HE LYS 14 17.772 -27.215 -32.649 132 1HZ LYS 14 1HZ LYS 14 15.436 -28.065 -33.669 133 2HZ LYS 14 2HZ LYS 14 16.236 -27.531 -35.070 134 3HZ LYS 14 3HZ LYS 14 16.002 -26.470 -33.765 135 H ASN 15 H ASN 15 21.099 -30.375 -30.528 136 HA ASN 15 HA ASN 15 20.861 -32.813 -32.244 137 1HB ASN 15 2HB ASN 15 22.086 -34.081 -30.544 138 2HB ASN 15 1HB ASN 15 23.069 -32.725 -31.095 139 1HD2 ASN 15 1HD2 ASN 15 24.215 -32.141 -29.218 140 2HD2 ASN 15 2HD2 ASN 15 23.482 -31.759 -27.735 141 H LYS 16 H LYS 16 19.056 -30.848 -30.545 142 HA LYS 16 HA LYS 16 17.041 -31.084 -29.373 143 1HB LYS 16 2HB LYS 16 17.399 -33.943 -30.318 144 2HB LYS 16 1HB LYS 16 15.948 -33.351 -29.506 145 1HG LYS 16 2HG LYS 16 16.054 -31.472 -31.362 146 2HG LYS 16 1HG LYS 16 17.001 -32.679 -32.232 147 1HD LYS 16 2HD LYS 16 14.367 -33.412 -30.964 148 2HD LYS 16 1HD LYS 16 14.424 -32.677 -32.566 149 1HE LYS 16 2HE LYS 16 15.804 -35.238 -31.715 150 2HE LYS 16 1HE LYS 16 14.425 -35.104 -32.806 151 1HZ LYS 16 1HZ LYS 16 16.318 -33.404 -33.829 152 2HZ LYS 16 2HZ LYS 16 15.895 -34.932 -34.438 153 3HZ LYS 16 3HZ LYS 16 17.198 -34.776 -33.359 154 H ASN 17 H ASN 17 17.811 -34.382 -28.510 155 HA ASN 17 HA ASN 17 18.562 -35.310 -26.478 156 1HB ASN 17 2HB ASN 17 19.992 -32.897 -26.692 157 2HB ASN 17 1HB ASN 17 19.285 -32.875 -25.076 158 1HD2 ASN 17 1HD2 ASN 17 20.570 -33.889 -23.543 159 2HD2 ASN 17 2HD2 ASN 17 21.646 -35.165 -23.854 160 H ILE 18 H ILE 18 18.221 -34.528 -23.891 161 HA ILE 18 HA ILE 18 15.462 -33.410 -23.729 162 HB ILE 18 HB ILE 18 14.970 -35.222 -22.010 163 1HG1 ILE 18 2HG1 ILE 18 17.409 -36.484 -23.304 164 2HG1 ILE 18 1HG1 ILE 18 17.347 -35.867 -21.652 165 1HG2 ILE 18 1HG2 ILE 18 14.429 -35.162 -24.611 166 2HG2 ILE 18 2HG2 ILE 18 14.079 -36.598 -23.650 167 3HG2 ILE 18 3HG2 ILE 18 15.536 -36.534 -24.642 168 1HD1 ILE 18 1HD1 ILE 18 15.763 -37.511 -20.985 169 2HD1 ILE 18 2HD1 ILE 18 16.955 -38.388 -21.944 170 3HD1 ILE 18 3HD1 ILE 18 15.400 -37.950 -22.654 171 H LYS 19 H LYS 19 14.917 -33.040 -21.296 172 HA LYS 19 HA LYS 19 15.452 -31.887 -19.324 173 1HB LYS 19 2HB LYS 19 16.784 -34.083 -19.063 174 2HB LYS 19 1HB LYS 19 18.195 -33.135 -19.534 175 1HG LYS 19 2HG LYS 19 18.372 -32.371 -17.429 176 2HG LYS 19 1HG LYS 19 16.778 -31.631 -17.575 177 1HD LYS 19 2HD LYS 19 15.806 -33.929 -17.039 178 2HD LYS 19 1HD LYS 19 17.442 -34.414 -16.593 179 1HE LYS 19 2HE LYS 19 17.533 -32.550 -14.959 180 2HE LYS 19 1HE LYS 19 15.876 -32.116 -15.380 181 1HZ LYS 19 1HZ LYS 19 15.709 -34.767 -14.858 182 2HZ LYS 19 2HZ LYS 19 15.307 -33.525 -13.770 183 3HZ LYS 19 3HZ LYS 19 16.844 -34.245 -13.711 184 H VAL 20 H VAL 20 15.627 -30.260 -21.469 185 HA VAL 20 HA VAL 20 18.298 -28.956 -21.392 186 HB VAL 20 HB VAL 20 17.225 -29.385 -23.604 187 1HG1 VAL 20 1HG1 VAL 20 15.030 -28.971 -23.866 188 2HG1 VAL 20 2HG1 VAL 20 15.322 -27.255 -23.589 189 3HG1 VAL 20 3HG1 VAL 20 14.954 -28.317 -22.231 190 1HG2 VAL 20 1HG2 VAL 20 17.491 -26.463 -22.823 191 2HG2 VAL 20 2HG2 VAL 20 17.524 -27.079 -24.475 192 3HG2 VAL 20 3HG2 VAL 20 18.806 -27.516 -23.345 193 H ASN 21 H ASN 21 17.410 -28.499 -19.004 194 HA ASN 21 HA ASN 21 16.341 -25.722 -19.099 195 1HB ASN 21 2HB ASN 21 14.984 -28.047 -18.019 196 2HB ASN 21 1HB ASN 21 15.289 -26.858 -16.752 197 1HD2 ASN 21 1HD2 ASN 21 12.800 -26.647 -16.897 198 2HD2 ASN 21 2HD2 ASN 21 12.177 -25.564 -18.046 199 H THR 22 H THR 22 18.411 -24.916 -18.565 200 HA THR 22 HA THR 22 19.266 -25.521 -15.769 201 HB THR 22 HB THR 22 21.574 -24.812 -17.259 202 HG1 THR 22 HG1 THR 22 21.513 -26.066 -18.982 203 1HG2 THR 22 1HG2 THR 22 22.418 -26.536 -16.055 204 2HG2 THR 22 2HG2 THR 22 21.200 -27.662 -16.654 205 3HG2 THR 22 3HG2 THR 22 20.827 -26.597 -15.299 206 H TYR 23 H TYR 23 17.700 -23.315 -17.059 207 HA TYR 23 HA TYR 23 19.193 -20.955 -17.412 208 1HB TYR 23 2HB TYR 23 16.442 -21.410 -16.235 209 2HB TYR 23 1HB TYR 23 17.099 -19.798 -16.522 210 HD1 TYR 23 HD1 TYR 23 17.973 -19.276 -18.902 211 HD2 TYR 23 HD2 TYR 23 15.408 -22.599 -17.984 212 HE1 TYR 23 HE1 TYR 23 17.322 -19.432 -21.291 213 HE2 TYR 23 HE2 TYR 23 14.756 -22.755 -20.373 214 HH TYR 23 HH TYR 23 14.691 -21.357 -22.356 215 H ARG 24 H ARG 24 18.878 -19.057 -15.646 216 HA ARG 24 HA ARG 24 20.434 -19.956 -13.325 217 1HB ARG 24 2HB ARG 24 19.943 -17.451 -14.712 218 2HB ARG 24 1HB ARG 24 19.758 -17.258 -12.969 219 1HG ARG 24 2HG ARG 24 22.008 -17.148 -12.850 220 2HG ARG 24 1HG ARG 24 22.025 -18.868 -13.245 221 1HD ARG 24 2HD ARG 24 21.882 -16.741 -15.386 222 2HD ARG 24 1HD ARG 24 23.421 -17.328 -14.756 223 HE ARG 24 HE ARG 24 21.709 -19.518 -15.568 224 1HH1 ARG 24 2HH1 ARG 24 22.306 -17.061 -17.598 225 2HH1 ARG 24 1HH1 ARG 24 23.439 -17.876 -18.623 226 1HH2 ARG 24 1HH2 ARG 24 23.838 -20.576 -16.486 227 2HH2 ARG 24 2HH2 ARG 24 24.304 -19.866 -17.995 228 H THR 25 H THR 25 18.799 -21.259 -12.268 229 HA THR 25 HA THR 25 17.106 -21.595 -10.681 230 HB THR 25 HB THR 25 17.024 -18.645 -10.143 231 HG1 THR 25 HG1 THR 25 18.949 -18.883 -8.963 232 1HG2 THR 25 1HG2 THR 25 16.001 -19.395 -8.291 233 2HG2 THR 25 2HG2 THR 25 17.437 -20.327 -7.866 234 3HG2 THR 25 3HG2 THR 25 16.179 -21.051 -8.869 235 H SER 26 H SER 26 14.788 -21.260 -10.379 236 HA SER 26 HA SER 26 13.348 -19.334 -12.001 237 1HB SER 26 2HB SER 26 13.973 -21.965 -13.125 238 2HB SER 26 1HB SER 26 12.243 -21.633 -13.090 239 HG SER 26 HG SER 26 12.802 -20.619 -14.886 240 H ALA 27 H ALA 27 11.639 -18.897 -10.715 241 HA ALA 27 HA ALA 27 9.909 -21.015 -9.720 242 1HB ALA 27 1HB ALA 27 10.203 -20.257 -7.294 243 2HB ALA 27 2HB ALA 27 11.695 -19.478 -7.821 244 3HB ALA 27 3HB ALA 27 11.516 -21.227 -7.962 245 H MET 28 H MET 28 8.646 -19.503 -11.166 246 HA MET 28 HA MET 28 7.700 -17.134 -9.601 247 1HB MET 28 2HB MET 28 7.844 -17.471 -12.613 248 2HB MET 28 1HB MET 28 7.171 -16.071 -11.777 249 1HG MET 28 2HG MET 28 9.757 -16.585 -10.678 250 2HG MET 28 1HG MET 28 9.905 -16.585 -12.435 251 1HE MET 28 1HE MET 28 10.957 -13.468 -12.884 252 2HE MET 28 2HE MET 28 9.537 -13.768 -13.881 253 3HE MET 28 3HE MET 28 10.591 -15.107 -13.437 254 H ASP 29 H ASP 29 6.213 -18.878 -8.691 255 HA ASP 29 HA ASP 29 4.321 -20.348 -10.100 256 1HB ASP 29 2HB ASP 29 3.548 -18.724 -7.672 257 2HB ASP 29 1HB ASP 29 2.974 -20.324 -8.144 258 H LEU 30 H LEU 30 4.488 -16.877 -9.690 259 HA LEU 30 HA LEU 30 2.005 -16.637 -11.343 260 1HB LEU 30 2HB LEU 30 2.490 -15.575 -8.781 261 2HB LEU 30 1HB LEU 30 2.658 -14.215 -9.891 262 HG LEU 30 HG LEU 30 0.321 -14.413 -9.213 263 1HD1 LEU 30 1HD1 LEU 30 0.885 -13.795 -11.582 264 2HD1 LEU 30 2HD1 LEU 30 -0.701 -14.548 -11.412 265 3HD1 LEU 30 3HD1 LEU 30 0.661 -15.485 -12.030 266 1HD2 LEU 30 1HD2 LEU 30 0.178 -16.719 -8.569 267 2HD2 LEU 30 2HD2 LEU 30 0.671 -17.265 -10.173 268 3HD2 LEU 30 3HD2 LEU 30 -0.914 -16.527 -9.941 269 H SER 31 H SER 31 3.197 -16.583 -13.309 270 HA SER 31 HA SER 31 5.523 -15.211 -13.930 271 1HB SER 31 2HB SER 31 3.307 -14.890 -15.885 272 2HB SER 31 1HB SER 31 4.942 -15.499 -16.128 273 HG SER 31 HG SER 31 4.181 -17.430 -15.861 274 HA PRO 32 HA PRO 32 4.022 -11.079 -12.895 275 1HB PRO 32 2HB PRO 32 6.542 -10.028 -12.570 276 2HB PRO 32 1HB PRO 32 5.684 -10.923 -11.303 277 1HG PRO 32 2HG PRO 32 7.963 -11.807 -13.009 278 2HG PRO 32 1HG PRO 32 7.489 -12.361 -11.395 279 1HD PRO 32 2HD PRO 32 6.989 -13.719 -13.832 280 2HD PRO 32 1HD PRO 32 6.257 -14.091 -12.257 281 H GLY 33 H GLY 33 3.302 -10.094 -14.770 282 1HA GLY 33 2HA GLY 33 4.078 -8.309 -16.388 283 2HA GLY 33 1HA GLY 33 5.357 -9.435 -16.844 284 H SER 34 H SER 34 2.164 -10.646 -16.147 285 HA SER 34 HA SER 34 1.907 -11.404 -19.015 286 1HB SER 34 2HB SER 34 1.743 -13.304 -17.563 287 2HB SER 34 1HB SER 34 0.636 -12.464 -16.480 288 HG SER 34 HG SER 34 -0.801 -13.447 -17.683 289 H VAL 35 H VAL 35 -0.497 -11.482 -19.750 290 HA VAL 35 HA VAL 35 -1.840 -8.976 -18.815 291 HB VAL 35 HB VAL 35 -2.060 -10.169 -21.588 292 1HG1 VAL 35 1HG1 VAL 35 -2.850 -7.578 -20.262 293 2HG1 VAL 35 2HG1 VAL 35 -3.852 -8.680 -21.207 294 3HG1 VAL 35 3HG1 VAL 35 -2.643 -7.677 -22.011 295 1HG2 VAL 35 1HG2 VAL 35 -0.071 -9.268 -22.160 296 2HG2 VAL 35 2HG2 VAL 35 0.234 -9.001 -20.444 297 3HG2 VAL 35 3HG2 VAL 35 -0.503 -7.728 -21.417 298 H HIS 36 H HIS 36 -4.239 -9.022 -19.089 299 HA HIS 36 HA HIS 36 -5.631 -11.494 -19.583 300 1HB HIS 36 2HB HIS 36 -4.475 -11.222 -16.985 301 2HB HIS 36 1HB HIS 36 -6.224 -11.060 -16.816 302 HD1 HIS 36 HD1 HIS 36 -7.272 -12.982 -18.895 303 HD2 HIS 36 HD2 HIS 36 -4.012 -13.900 -16.465 304 HE1 HIS 36 HE1 HIS 36 -7.098 -15.509 -18.852 305 H GLU 37 H GLU 37 -7.995 -11.255 -18.909 306 HA GLU 37 HA GLU 37 -8.773 -8.404 -19.245 307 1HB GLU 37 2HB GLU 37 -10.331 -10.985 -19.580 308 2HB GLU 37 1HB GLU 37 -11.023 -9.375 -19.787 309 1HG GLU 37 2HG GLU 37 -9.871 -8.978 -21.746 310 2HG GLU 37 1HG GLU 37 -8.516 -10.007 -21.282 311 H GLY 38 H GLY 38 -9.716 -7.302 -17.569 312 1HA GLY 38 2HA GLY 38 -11.065 -8.808 -15.416 313 2HA GLY 38 1HA GLY 38 -9.654 -7.864 -14.940 314 H ILE 39 H ILE 39 -11.869 -7.086 -13.713 315 HA ILE 39 HA ILE 39 -13.107 -4.891 -15.288 316 HB ILE 39 HB ILE 39 -13.791 -5.736 -12.461 317 1HG1 ILE 39 2HG1 ILE 39 -15.488 -6.661 -14.705 318 2HG1 ILE 39 1HG1 ILE 39 -13.917 -7.451 -14.581 319 1HG2 ILE 39 1HG2 ILE 39 -14.607 -3.528 -13.409 320 2HG2 ILE 39 2HG2 ILE 39 -15.882 -4.634 -12.902 321 3HG2 ILE 39 3HG2 ILE 39 -15.497 -4.459 -14.613 322 1HD1 ILE 39 1HD1 ILE 39 -14.383 -7.927 -12.178 323 2HD1 ILE 39 2HD1 ILE 39 -15.554 -8.690 -13.254 324 3HD1 ILE 39 3HD1 ILE 39 -15.988 -7.222 -12.377 325 H VAL 40 H VAL 40 -13.181 -2.719 -14.302 326 HA VAL 40 HA VAL 40 -10.794 -2.231 -12.560 327 HB VAL 40 HB VAL 40 -11.849 0.063 -14.081 328 1HG1 VAL 40 1HG1 VAL 40 -9.256 -0.093 -14.706 329 2HG1 VAL 40 2HG1 VAL 40 -9.238 -1.166 -13.306 330 3HG1 VAL 40 3HG1 VAL 40 -9.790 0.499 -13.133 331 1HG2 VAL 40 1HG2 VAL 40 -10.823 -2.420 -15.471 332 2HG2 VAL 40 2HG2 VAL 40 -10.632 -0.819 -16.186 333 3HG2 VAL 40 3HG2 VAL 40 -12.245 -1.455 -15.866 334 H TYR 41 H TYR 41 -11.059 0.031 -11.442 335 HA TYR 41 HA TYR 41 -13.811 0.719 -10.706 336 1HB TYR 41 2HB TYR 41 -12.618 -1.270 -9.204 337 2HB TYR 41 1HB TYR 41 -12.228 0.184 -8.285 338 HD1 TYR 41 HD1 TYR 41 -15.200 -0.800 -10.355 339 HD2 TYR 41 HD2 TYR 41 -13.727 0.421 -6.505 340 HE1 TYR 41 HE1 TYR 41 -17.525 -0.715 -9.493 341 HE2 TYR 41 HE2 TYR 41 -16.054 0.505 -5.643 342 HH TYR 41 HH TYR 41 -18.744 -0.722 -7.491 343 H PHE 42 H PHE 42 -13.885 2.810 -9.713 344 HA PHE 42 HA PHE 42 -11.238 4.204 -9.691 345 1HB PHE 42 2HB PHE 42 -12.754 5.026 -11.449 346 2HB PHE 42 1HB PHE 42 -13.996 5.343 -10.235 347 HD1 PHE 42 HD1 PHE 42 -13.674 7.114 -8.531 348 HD2 PHE 42 HD2 PHE 42 -10.829 6.469 -11.687 349 HE1 PHE 42 HE1 PHE 42 -12.658 9.329 -8.069 350 HE2 PHE 42 HE2 PHE 42 -9.813 8.685 -11.225 351 HZ PHE 42 HZ PHE 42 -10.728 10.115 -9.416 352 H LYS 43 H LYS 43 -10.579 4.732 -7.669 353 HA LYS 43 HA LYS 43 -12.086 6.221 -5.811 354 1HB LYS 43 2HB LYS 43 -13.152 3.711 -5.883 355 2HB LYS 43 1HB LYS 43 -11.937 3.514 -4.619 356 1HG LYS 43 2HG LYS 43 -13.386 6.029 -4.342 357 2HG LYS 43 1HG LYS 43 -14.471 4.638 -4.299 358 1HD LYS 43 2HD LYS 43 -12.061 4.126 -2.760 359 2HD LYS 43 1HD LYS 43 -12.880 5.580 -2.189 360 1HE LYS 43 2HE LYS 43 -14.496 3.115 -2.761 361 2HE LYS 43 1HE LYS 43 -13.596 3.227 -1.248 362 1HZ LYS 43 1HZ LYS 43 -15.144 5.570 -1.995 363 2HZ LYS 43 2HZ LYS 43 -14.919 4.853 -0.471 364 3HZ LYS 43 3HZ LYS 43 -16.044 4.199 -1.564 365 H ASP 44 H ASP 44 -11.041 5.999 -3.507 366 HA ASP 44 HA ASP 44 -9.092 6.094 -2.214 367 1HB ASP 44 2HB ASP 44 -8.354 3.905 -4.165 368 2HB ASP 44 1HB ASP 44 -7.268 4.424 -2.875 369 H GLY 45 H GLY 45 -9.410 7.431 -5.093 370 1HA GLY 45 2HA GLY 45 -8.171 9.284 -5.933 371 2HA GLY 45 1HA GLY 45 -6.823 8.820 -4.897 372 H ILE 46 H ILE 46 -7.133 5.962 -5.983 373 HA ILE 46 HA ILE 46 -5.724 6.491 -8.572 374 HB ILE 46 HB ILE 46 -4.407 4.510 -8.174 375 1HG1 ILE 46 2HG1 ILE 46 -6.253 4.108 -5.799 376 2HG1 ILE 46 1HG1 ILE 46 -6.098 3.060 -7.210 377 1HG2 ILE 46 1HG2 ILE 46 -3.879 6.680 -6.908 378 2HG2 ILE 46 2HG2 ILE 46 -3.151 5.205 -6.275 379 3HG2 ILE 46 3HG2 ILE 46 -4.573 5.893 -5.491 380 1HD1 ILE 46 1HD1 ILE 46 -3.860 2.429 -6.598 381 2HD1 ILE 46 2HD1 ILE 46 -4.853 2.259 -5.150 382 3HD1 ILE 46 3HD1 ILE 46 -3.796 3.659 -5.335 383 H PHE 47 H PHE 47 -5.750 3.629 -9.253 384 HA PHE 47 HA PHE 47 -8.666 3.384 -9.885 385 1HB PHE 47 2HB PHE 47 -6.198 2.935 -11.501 386 2HB PHE 47 1HB PHE 47 -7.560 1.850 -11.783 387 HD1 PHE 47 HD1 PHE 47 -8.825 2.504 -13.627 388 HD2 PHE 47 HD2 PHE 47 -7.235 5.512 -10.999 389 HE1 PHE 47 HE1 PHE 47 -9.955 4.267 -14.960 390 HE2 PHE 47 HE2 PHE 47 -8.365 7.274 -12.333 391 HZ PHE 47 HZ PHE 47 -9.725 6.651 -14.313 392 H LYS 48 H LYS 48 -9.183 0.943 -10.408 393 HA LYS 48 HA LYS 48 -7.655 -0.867 -8.617 394 1HB LYS 48 2HB LYS 48 -10.082 0.331 -7.852 395 2HB LYS 48 1HB LYS 48 -10.504 -1.316 -8.321 396 1HG LYS 48 2HG LYS 48 -8.300 -1.868 -6.901 397 2HG LYS 48 1HG LYS 48 -8.758 -0.367 -6.097 398 1HD LYS 48 2HD LYS 48 -11.132 -1.387 -5.967 399 2HD LYS 48 1HD LYS 48 -10.343 -2.921 -6.336 400 1HE LYS 48 2HE LYS 48 -8.761 -2.430 -4.398 401 2HE LYS 48 1HE LYS 48 -9.854 -1.117 -3.958 402 1HZ LYS 48 1HZ LYS 48 -11.606 -2.614 -3.598 403 2HZ LYS 48 2HZ LYS 48 -10.257 -3.327 -2.850 404 3HZ LYS 48 3HZ LYS 48 -10.794 -3.894 -4.359 405 H VAL 49 H VAL 49 -8.166 -3.149 -9.026 406 HA VAL 49 HA VAL 49 -9.622 -3.668 -11.568 407 HB VAL 49 HB VAL 49 -6.955 -4.965 -11.023 408 1HG1 VAL 49 1HG1 VAL 49 -7.051 -5.569 -13.303 409 2HG1 VAL 49 2HG1 VAL 49 -8.247 -4.328 -13.673 410 3HG1 VAL 49 3HG1 VAL 49 -8.717 -5.759 -12.757 411 1HG2 VAL 49 1HG2 VAL 49 -7.372 -2.481 -12.709 412 2HG2 VAL 49 2HG2 VAL 49 -5.842 -3.261 -12.309 413 3HG2 VAL 49 3HG2 VAL 49 -6.761 -2.428 -11.055 414 H ARG 50 H ARG 50 -11.214 -5.004 -10.797 415 HA ARG 50 HA ARG 50 -10.492 -7.047 -8.760 416 1HB ARG 50 2HB ARG 50 -12.582 -5.444 -8.679 417 2HB ARG 50 1HB ARG 50 -13.282 -6.627 -9.785 418 1HG ARG 50 2HG ARG 50 -12.006 -8.081 -7.701 419 2HG ARG 50 1HG ARG 50 -12.974 -6.818 -6.939 420 1HD ARG 50 2HD ARG 50 -14.953 -7.712 -7.660 421 2HD ARG 50 1HD ARG 50 -14.265 -8.260 -9.189 422 HE ARG 50 HE ARG 50 -13.814 -10.336 -8.166 423 1HH1 ARG 50 2HH1 ARG 50 -16.025 -9.505 -6.199 424 2HH1 ARG 50 1HH1 ARG 50 -15.256 -9.850 -4.685 425 1HH2 ARG 50 1HH2 ARG 50 -12.077 -10.074 -6.052 426 2HH2 ARG 50 2HH2 ARG 50 -13.019 -10.173 -4.604 427 H LEU 51 H LEU 51 -10.420 -9.202 -9.278 428 HA LEU 51 HA LEU 51 -10.900 -9.907 -12.125 429 1HB LEU 51 2HB LEU 51 -8.881 -10.579 -10.320 430 2HB LEU 51 1HB LEU 51 -9.865 -12.040 -10.425 431 HG LEU 51 HG LEU 51 -9.746 -11.330 -13.052 432 1HD1 LEU 51 1HD1 LEU 51 -8.148 -9.754 -13.327 433 2HD1 LEU 51 2HD1 LEU 51 -6.983 -11.016 -12.924 434 3HD1 LEU 51 3HD1 LEU 51 -7.583 -9.936 -11.666 435 1HD2 LEU 51 1HD2 LEU 51 -7.390 -12.855 -12.473 436 2HD2 LEU 51 2HD2 LEU 51 -8.949 -13.438 -13.058 437 3HD2 LEU 51 3HD2 LEU 51 -8.645 -13.322 -11.324 438 H LEU 52 H LEU 52 -13.146 -10.226 -12.241 439 HA LEU 52 HA LEU 52 -14.535 -11.800 -10.206 440 1HB LEU 52 2HB LEU 52 -15.455 -9.907 -11.823 441 2HB LEU 52 1HB LEU 52 -15.722 -11.274 -12.906 442 HG LEU 52 HG LEU 52 -16.575 -11.876 -10.186 443 1HD1 LEU 52 1HD1 LEU 52 -18.583 -10.089 -11.262 444 2HD1 LEU 52 2HD1 LEU 52 -17.068 -9.224 -11.003 445 3HD1 LEU 52 3HD1 LEU 52 -17.833 -10.082 -9.666 446 1HD2 LEU 52 1HD2 LEU 52 -17.771 -13.258 -11.505 447 2HD2 LEU 52 2HD2 LEU 52 -17.324 -12.340 -12.943 448 3HD2 LEU 52 3HD2 LEU 52 -18.737 -11.868 -12.000 449 H GLY 53 H GLY 53 -14.153 -13.954 -10.131 450 1HA GLY 53 2HA GLY 53 -14.946 -15.960 -11.673 451 2HA GLY 53 1HA GLY 53 -13.580 -15.418 -12.650 452 H TYR 54 H TYR 54 -11.912 -14.650 -10.419 453 HA TYR 54 HA TYR 54 -10.915 -17.321 -9.696 454 1HB TYR 54 2HB TYR 54 -9.888 -14.515 -9.525 455 2HB TYR 54 1HB TYR 54 -9.206 -15.715 -8.428 456 HD1 TYR 54 HD1 TYR 54 -10.399 -15.901 -11.982 457 HD2 TYR 54 HD2 TYR 54 -7.135 -16.431 -9.237 458 HE1 TYR 54 HE1 TYR 54 -8.995 -16.790 -13.824 459 HE2 TYR 54 HE2 TYR 54 -5.730 -17.320 -11.078 460 HH TYR 54 HH TYR 54 -5.681 -17.091 -13.626 461 H GLU 55 H GLU 55 -12.523 -14.591 -8.179 462 HA GLU 55 HA GLU 55 -13.647 -14.487 -6.117 463 1HB GLU 55 2HB GLU 55 -13.617 -17.220 -6.752 464 2HB GLU 55 1HB GLU 55 -13.006 -17.130 -5.099 465 1HG GLU 55 2HG GLU 55 -15.059 -16.669 -4.304 466 2HG GLU 55 1HG GLU 55 -15.233 -15.319 -5.427 467 H GLY 56 H GLY 56 -12.215 -13.067 -5.108 468 1HA GLY 56 2HA GLY 56 -10.968 -12.806 -3.011 469 2HA GLY 56 1HA GLY 56 -10.197 -14.360 -3.331 470 H HIS 57 H HIS 57 -10.468 -12.518 -6.157 471 HA HIS 57 HA HIS 57 -7.570 -11.857 -5.989 472 1HB HIS 57 2HB HIS 57 -9.157 -12.989 -8.017 473 2HB HIS 57 1HB HIS 57 -8.789 -11.356 -8.572 474 HD1 HIS 57 HD1 HIS 57 -7.056 -12.140 -10.327 475 HD2 HIS 57 HD2 HIS 57 -6.136 -13.328 -6.438 476 HE1 HIS 57 HE1 HIS 57 -4.673 -12.996 -10.384 477 H GLU 58 H GLU 58 -7.784 -9.907 -4.749 478 HA GLU 58 HA GLU 58 -9.324 -7.711 -6.047 479 1HB GLU 58 2HB GLU 58 -9.416 -8.368 -3.483 480 2HB GLU 58 1HB GLU 58 -7.945 -7.398 -3.404 481 1HG GLU 58 2HG GLU 58 -9.172 -5.515 -3.444 482 2HG GLU 58 1HG GLU 58 -9.861 -5.990 -4.997 483 H CYS 59 H CYS 59 -7.962 -6.951 -7.659 484 HA CYS 59 HA CYS 59 -5.149 -6.329 -6.905 485 1HB CYS 59 2HB CYS 59 -5.811 -7.645 -9.044 486 2HB CYS 59 1HB CYS 59 -6.324 -6.080 -9.673 487 HG CYS 59 HG CYS 59 -3.652 -6.781 -10.059 488 H ILE 60 H ILE 60 -4.341 -4.198 -7.901 489 HA ILE 60 HA ILE 60 -6.459 -2.108 -7.920 490 HB ILE 60 HB ILE 60 -4.588 -0.724 -6.636 491 1HG1 ILE 60 2HG1 ILE 60 -4.124 -3.527 -5.581 492 2HG1 ILE 60 1HG1 ILE 60 -3.030 -2.731 -6.713 493 1HG2 ILE 60 1HG2 ILE 60 -6.540 -2.705 -5.446 494 2HG2 ILE 60 2HG2 ILE 60 -6.772 -0.976 -5.705 495 3HG2 ILE 60 3HG2 ILE 60 -5.656 -1.539 -4.461 496 1HD1 ILE 60 1HD1 ILE 60 -2.055 -1.634 -5.011 497 2HD1 ILE 60 2HD1 ILE 60 -3.139 -2.438 -3.875 498 3HD1 ILE 60 3HD1 ILE 60 -3.602 -0.896 -4.596 499 H LEU 61 H LEU 61 -6.014 -0.449 -9.410 500 HA LEU 61 HA LEU 61 -3.627 -0.935 -11.111 501 1HB LEU 61 2HB LEU 61 -6.024 -0.709 -12.046 502 2HB LEU 61 1HB LEU 61 -5.843 1.013 -11.720 503 HG LEU 61 HG LEU 61 -3.450 0.261 -12.979 504 1HD1 LEU 61 1HD1 LEU 61 -5.713 -1.402 -13.837 505 2HD1 LEU 61 2HD1 LEU 61 -3.990 -1.597 -14.159 506 3HD1 LEU 61 3HD1 LEU 61 -4.958 -0.519 -15.164 507 1HD2 LEU 61 1HD2 LEU 61 -5.617 2.097 -13.289 508 2HD2 LEU 61 2HD2 LEU 61 -5.290 1.387 -14.869 509 3HD2 LEU 61 3HD2 LEU 61 -4.000 2.202 -13.984 510 H LEU 62 H LEU 62 -1.911 0.384 -10.998 511 HA LEU 62 HA LEU 62 -2.189 3.228 -10.386 512 1HB LEU 62 2HB LEU 62 -2.081 1.628 -8.174 513 2HB LEU 62 1HB LEU 62 -0.367 1.940 -8.446 514 HG LEU 62 HG LEU 62 -2.572 3.970 -8.038 515 1HD1 LEU 62 1HD1 LEU 62 -1.815 3.615 -5.916 516 2HD1 LEU 62 2HD1 LEU 62 -0.469 4.636 -6.426 517 3HD1 LEU 62 3HD1 LEU 62 -0.312 2.880 -6.473 518 1HD2 LEU 62 1HD2 LEU 62 -0.686 5.647 -8.366 519 2HD2 LEU 62 2HD2 LEU 62 -1.231 4.839 -9.837 520 3HD2 LEU 62 3HD2 LEU 62 0.262 4.326 -9.050 521 H ASP 63 H ASP 63 -0.073 0.411 -10.778 522 HA ASP 63 HA ASP 63 2.405 1.633 -11.166 523 1HB ASP 63 2HB ASP 63 1.088 -0.804 -12.239 524 2HB ASP 63 1HB ASP 63 2.490 -0.224 -13.139 525 H TYR 64 H TYR 64 -0.206 1.231 -13.568 526 HA TYR 64 HA TYR 64 1.099 3.423 -15.136 527 1HB TYR 64 2HB TYR 64 0.374 0.731 -15.954 528 2HB TYR 64 1HB TYR 64 -0.470 1.938 -16.925 529 HD1 TYR 64 HD1 TYR 64 2.921 1.890 -15.316 530 HD2 TYR 64 HD2 TYR 64 0.655 2.233 -18.951 531 HE1 TYR 64 HE1 TYR 64 5.010 2.337 -16.576 532 HE2 TYR 64 HE2 TYR 64 2.746 2.682 -20.212 533 HH TYR 64 HH TYR 64 5.427 3.700 -19.021 534 H LEU 65 H LEU 65 -0.665 4.227 -13.286 535 HA LEU 65 HA LEU 65 -3.429 4.143 -14.071 536 1HB LEU 65 2HB LEU 65 -2.234 4.920 -11.819 537 2HB LEU 65 1HB LEU 65 -2.340 6.503 -12.590 538 HG LEU 65 HG LEU 65 -4.702 4.628 -12.315 539 1HD1 LEU 65 1HD1 LEU 65 -4.741 7.035 -10.667 540 2HD1 LEU 65 2HD1 LEU 65 -3.404 5.967 -10.237 541 3HD1 LEU 65 3HD1 LEU 65 -5.060 5.362 -10.209 542 1HD2 LEU 65 1HD2 LEU 65 -5.433 6.118 -13.886 543 2HD2 LEU 65 2HD2 LEU 65 -4.199 7.308 -13.473 544 3HD2 LEU 65 3HD2 LEU 65 -5.659 7.176 -12.494 545 H ASN 66 H ASN 66 -0.875 6.595 -14.571 546 HA ASN 66 HA ASN 66 -0.773 8.377 -16.096 547 1HB ASN 66 2HB ASN 66 -2.629 6.641 -17.748 548 2HB ASN 66 1HB ASN 66 -1.518 7.876 -18.339 549 1HD2 ASN 66 1HD2 ASN 66 0.690 7.111 -16.527 550 2HD2 ASN 66 2HD2 ASN 66 1.289 5.629 -17.099 551 H TYR 67 H TYR 67 -1.868 10.059 -15.097 552 HA TYR 67 HA TYR 67 -4.756 10.105 -14.838 553 1HB TYR 67 2HB TYR 67 -2.511 11.716 -13.977 554 2HB TYR 67 1HB TYR 67 -3.785 12.744 -14.635 555 HD1 TYR 67 HD1 TYR 67 -2.829 10.469 -11.939 556 HD2 TYR 67 HD2 TYR 67 -6.086 12.656 -13.693 557 HE1 TYR 67 HE1 TYR 67 -4.156 10.154 -9.867 558 HE2 TYR 67 HE2 TYR 67 -7.413 12.342 -11.619 559 HH TYR 67 HH TYR 67 -7.003 10.178 -9.486 560 H ARG 68 H ARG 68 -6.170 10.616 -16.425 561 HA ARG 68 HA ARG 68 -5.165 12.247 -18.724 562 1HB ARG 68 2HB ARG 68 -6.691 9.744 -18.592 563 2HB ARG 68 1HB ARG 68 -7.445 10.961 -19.625 564 1HG ARG 68 2HG ARG 68 -5.481 11.172 -20.972 565 2HG ARG 68 1HG ARG 68 -4.509 10.262 -19.817 566 1HD ARG 68 2HD ARG 68 -4.956 8.459 -21.113 567 2HD ARG 68 1HD ARG 68 -6.565 8.505 -20.392 568 HE ARG 68 HE ARG 68 -7.404 9.468 -22.412 569 1HH1 ARG 68 2HH1 ARG 68 -4.550 7.897 -22.941 570 2HH1 ARG 68 1HH1 ARG 68 -4.097 8.772 -24.366 571 1HH2 ARG 68 1HH2 ARG 68 -6.580 11.166 -24.008 572 2HH2 ARG 68 2HH2 ARG 68 -5.246 10.623 -24.969 573 H GLN 69 H GLN 69 -5.891 14.296 -18.254 574 HA GLN 69 HA GLN 69 -8.770 14.575 -17.488 575 1HB GLN 69 2HB GLN 69 -6.560 16.583 -16.978 576 2HB GLN 69 1HB GLN 69 -8.196 16.599 -16.317 577 1HG GLN 69 2HG GLN 69 -7.624 15.200 -14.644 578 2HG GLN 69 1HG GLN 69 -6.844 14.081 -15.762 579 1HE2 GLN 69 1HE2 GLN 69 -6.284 16.839 -13.625 580 2HE2 GLN 69 2HE2 GLN 69 -4.590 16.799 -13.723 581 H ASP 70 H ASP 70 -9.581 14.742 -19.617 582 HA ASP 70 HA ASP 70 -8.875 17.289 -20.990 583 1HB ASP 70 2HB ASP 70 -7.970 14.849 -21.923 584 2HB ASP 70 1HB ASP 70 -9.461 15.079 -22.837 585 H THR 71 H THR 71 -10.597 17.809 -22.689 586 HA THR 71 HA THR 71 -13.151 17.961 -21.587 587 HB THR 71 HB THR 71 -13.645 17.748 -24.325 588 HG1 THR 71 HG1 THR 71 -11.234 19.142 -24.076 589 1HG2 THR 71 1HG2 THR 71 -12.866 20.388 -23.876 590 2HG2 THR 71 2HG2 THR 71 -13.344 19.802 -22.282 591 3HG2 THR 71 3HG2 THR 71 -14.480 19.723 -23.629 592 H LEU 72 H LEU 72 -15.163 16.809 -22.214 593 HA LEU 72 HA LEU 72 -16.414 14.838 -22.409 594 1HB LEU 72 2HB LEU 72 -14.548 14.821 -24.534 595 2HB LEU 72 1HB LEU 72 -14.532 13.194 -23.849 596 HG LEU 72 HG LEU 72 -16.977 14.733 -24.762 597 1HD1 LEU 72 1HD1 LEU 72 -16.923 13.486 -26.674 598 2HD1 LEU 72 2HD1 LEU 72 -16.306 12.059 -25.841 599 3HD1 LEU 72 3HD1 LEU 72 -15.203 13.356 -26.302 600 1HD2 LEU 72 1HD2 LEU 72 -18.252 13.298 -23.576 601 2HD2 LEU 72 2HD2 LEU 72 -16.780 12.793 -22.748 602 3HD2 LEU 72 3HD2 LEU 72 -17.339 11.909 -24.167 603 H ASP 73 H ASP 73 -15.316 14.968 -20.020 604 HA ASP 73 HA ASP 73 -13.623 12.598 -19.522 605 1HB ASP 73 2HB ASP 73 -13.977 15.091 -18.248 606 2HB ASP 73 1HB ASP 73 -14.614 13.887 -17.128 607 H ARG 74 H ARG 74 -16.948 13.664 -19.133 608 HA ARG 74 HA ARG 74 -17.979 11.861 -17.285 609 1HB ARG 74 2HB ARG 74 -19.282 12.498 -19.949 610 2HB ARG 74 1HB ARG 74 -20.097 12.023 -18.458 611 1HG ARG 74 2HG ARG 74 -18.800 14.134 -17.489 612 2HG ARG 74 1HG ARG 74 -18.836 14.638 -19.179 613 1HD ARG 74 2HD ARG 74 -21.242 13.852 -17.507 614 2HD ARG 74 1HD ARG 74 -20.815 15.490 -18.001 615 HE ARG 74 HE ARG 74 -21.383 13.404 -20.061 616 1HH1 ARG 74 2HH1 ARG 74 -23.238 15.466 -18.316 617 2HH1 ARG 74 1HH1 ARG 74 -23.738 16.474 -19.633 618 1HH2 ARG 74 1HH2 ARG 74 -21.462 15.125 -21.876 619 2HH2 ARG 74 2HH2 ARG 74 -22.730 16.283 -21.648 620 H LEU 75 H LEU 75 -17.674 11.223 -20.800 621 HA LEU 75 HA LEU 75 -18.505 8.596 -20.925 622 1HB LEU 75 2HB LEU 75 -17.401 10.141 -22.742 623 2HB LEU 75 1HB LEU 75 -15.915 9.317 -22.266 624 HG LEU 75 HG LEU 75 -17.336 7.138 -22.545 625 1HD1 LEU 75 1HD1 LEU 75 -19.143 7.308 -24.149 626 2HD1 LEU 75 2HD1 LEU 75 -18.840 9.031 -24.375 627 3HD1 LEU 75 3HD1 LEU 75 -19.471 8.440 -22.838 628 1HD2 LEU 75 1HD2 LEU 75 -15.459 8.291 -24.058 629 2HD2 LEU 75 2HD2 LEU 75 -16.815 8.471 -25.172 630 3HD2 LEU 75 3HD2 LEU 75 -16.338 6.867 -24.616 631 H LYS 76 H LYS 76 -15.117 9.547 -20.218 632 HA LYS 76 HA LYS 76 -14.076 7.024 -19.644 633 1HB LYS 76 2HB LYS 76 -12.911 9.335 -19.592 634 2HB LYS 76 1HB LYS 76 -13.427 9.405 -17.908 635 1HG LYS 76 2HG LYS 76 -11.879 7.885 -17.255 636 2HG LYS 76 1HG LYS 76 -12.204 6.837 -18.637 637 1HD LYS 76 2HD LYS 76 -10.956 8.641 -20.026 638 2HD LYS 76 1HD LYS 76 -10.344 9.203 -18.471 639 1HE LYS 76 2HE LYS 76 -9.129 7.258 -18.089 640 2HE LYS 76 1HE LYS 76 -10.176 6.280 -19.116 641 1HZ LYS 76 1HZ LYS 76 -9.202 7.108 -21.037 642 2HZ LYS 76 2HZ LYS 76 -7.878 6.895 -19.993 643 3HZ LYS 76 3HZ LYS 76 -8.521 8.447 -20.247 644 H GLU 77 H GLU 77 -15.760 9.204 -17.361 645 HA GLU 77 HA GLU 77 -15.605 7.586 -15.063 646 1HB GLU 77 2HB GLU 77 -16.517 9.848 -14.978 647 2HB GLU 77 1HB GLU 77 -17.885 9.364 -15.982 648 1HG GLU 77 2HG GLU 77 -17.638 7.580 -13.723 649 2HG GLU 77 1HG GLU 77 -17.719 9.253 -13.168 650 H ARG 78 H ARG 78 -18.221 7.605 -17.519 651 HA ARG 78 HA ARG 78 -19.839 5.588 -16.508 652 1HB ARG 78 2HB ARG 78 -19.343 6.748 -19.113 653 2HB ARG 78 1HB ARG 78 -19.638 5.014 -19.261 654 1HG ARG 78 2HG ARG 78 -21.735 5.189 -18.099 655 2HG ARG 78 1HG ARG 78 -21.408 6.862 -17.644 656 1HD ARG 78 2HD ARG 78 -21.237 7.266 -20.220 657 2HD ARG 78 1HD ARG 78 -22.125 5.747 -20.344 658 HE ARG 78 HE ARG 78 -24.042 6.858 -19.517 659 1HH1 ARG 78 2HH1 ARG 78 -21.842 9.150 -20.365 660 2HH1 ARG 78 1HH1 ARG 78 -22.368 10.367 -19.251 661 1HH2 ARG 78 1HH2 ARG 78 -24.444 8.227 -17.483 662 2HH2 ARG 78 2HH2 ARG 78 -23.840 9.843 -17.617 663 H LEU 79 H LEU 79 -17.208 4.968 -18.869 664 HA LEU 79 HA LEU 79 -17.208 2.152 -18.584 665 1HB LEU 79 2HB LEU 79 -14.955 4.066 -19.255 666 2HB LEU 79 1HB LEU 79 -14.806 2.312 -19.368 667 HG LEU 79 HG LEU 79 -17.115 2.676 -20.742 668 1HD1 LEU 79 1HD1 LEU 79 -15.937 4.765 -22.216 669 2HD1 LEU 79 2HD1 LEU 79 -15.865 5.283 -20.533 670 3HD1 LEU 79 3HD1 LEU 79 -17.414 4.850 -21.257 671 1HD2 LEU 79 1HD2 LEU 79 -15.846 1.741 -22.366 672 2HD2 LEU 79 2HD2 LEU 79 -14.470 1.936 -21.281 673 3HD2 LEU 79 3HD2 LEU 79 -14.828 3.177 -22.481 674 H VAL 80 H VAL 80 -14.486 4.076 -17.356 675 HA VAL 80 HA VAL 80 -13.161 3.730 -15.449 676 HB VAL 80 HB VAL 80 -15.985 3.500 -14.398 677 1HG1 VAL 80 1HG1 VAL 80 -14.686 4.028 -12.159 678 2HG1 VAL 80 2HG1 VAL 80 -13.355 3.212 -12.979 679 3HG1 VAL 80 3HG1 VAL 80 -14.872 2.359 -12.697 680 1HG2 VAL 80 1HG2 VAL 80 -13.973 5.664 -13.826 681 2HG2 VAL 80 2HG2 VAL 80 -15.734 5.761 -13.826 682 3HG2 VAL 80 3HG2 VAL 80 -14.856 5.667 -15.353 683 H GLY 81 H GLY 81 -15.609 1.541 -14.210 684 1HA GLY 81 2HA GLY 81 -13.597 -0.546 -13.952 685 2HA GLY 81 1HA GLY 81 -15.260 -0.650 -13.390 686 H ARG 82 H ARG 82 -14.901 0.309 -16.677 687 HA ARG 82 HA ARG 82 -16.400 -1.800 -17.757 688 1HB ARG 82 2HB ARG 82 -15.002 0.399 -18.777 689 2HB ARG 82 1HB ARG 82 -14.262 -0.993 -19.568 690 1HG ARG 82 2HG ARG 82 -17.133 -1.316 -19.480 691 2HG ARG 82 1HG ARG 82 -16.719 0.229 -20.225 692 1HD ARG 82 2HD ARG 82 -15.157 -0.927 -21.752 693 2HD ARG 82 1HD ARG 82 -15.587 -2.471 -21.019 694 HE ARG 82 HE ARG 82 -17.898 -1.009 -22.033 695 1HH1 ARG 82 1HH2 ARG 82 -17.666 -3.989 -22.011 696 2HH1 ARG 82 2HH2 ARG 82 -17.415 -4.350 -23.687 697 1HH2 ARG 82 2HH1 ARG 82 -16.547 -1.099 -24.526 698 2HH2 ARG 82 1HH1 ARG 82 -16.781 -2.714 -25.111 699 H VAL 83 H VAL 83 -15.347 -3.454 -19.406 700 HA VAL 83 HA VAL 83 -13.311 -4.954 -17.839 701 HB VAL 83 HB VAL 83 -15.120 -5.775 -20.133 702 1HG1 VAL 83 1HG1 VAL 83 -13.627 -7.411 -20.553 703 2HG1 VAL 83 2HG1 VAL 83 -13.949 -8.037 -18.935 704 3HG1 VAL 83 3HG1 VAL 83 -12.620 -6.907 -19.195 705 1HG2 VAL 83 1HG2 VAL 83 -16.394 -5.719 -18.140 706 2HG2 VAL 83 2HG2 VAL 83 -15.044 -6.290 -17.159 707 3HG2 VAL 83 3HG2 VAL 83 -15.870 -7.399 -18.252 708 H ILE 84 H ILE 84 -11.220 -4.846 -18.490 709 HA ILE 84 HA ILE 84 -10.662 -4.471 -21.391 710 HB ILE 84 HB ILE 84 -9.255 -2.604 -21.064 711 1HG1 ILE 84 2HG1 ILE 84 -8.089 -3.550 -19.057 712 2HG1 ILE 84 1HG1 ILE 84 -8.481 -1.841 -18.875 713 1HG2 ILE 84 1HG2 ILE 84 -11.714 -2.444 -19.317 714 2HG2 ILE 84 2HG2 ILE 84 -11.479 -1.798 -20.940 715 3HG2 ILE 84 3HG2 ILE 84 -10.668 -1.046 -19.567 716 1HD1 ILE 84 1HD1 ILE 84 -9.223 -2.695 -16.837 717 2HD1 ILE 84 2HD1 ILE 84 -9.739 -4.222 -17.550 718 3HD1 ILE 84 3HD1 ILE 84 -10.700 -2.766 -17.796 719 H LYS 85 H LYS 85 -8.150 -4.659 -21.710 720 HA LYS 85 HA LYS 85 -7.265 -7.012 -20.105 721 1HB LYS 85 2HB LYS 85 -5.749 -7.476 -22.001 722 2HB LYS 85 1HB LYS 85 -7.422 -7.359 -22.548 723 1HG LYS 85 2HG LYS 85 -6.771 -5.770 -24.004 724 2HG LYS 85 1HG LYS 85 -6.408 -4.728 -22.627 725 1HD LYS 85 2HD LYS 85 -4.175 -4.997 -22.880 726 2HD LYS 85 1HD LYS 85 -4.333 -6.739 -23.105 727 1HE LYS 85 2HE LYS 85 -4.792 -4.605 -25.209 728 2HE LYS 85 1HE LYS 85 -3.453 -5.751 -25.153 729 1HZ LYS 85 1HZ LYS 85 -5.987 -6.108 -26.279 730 2HZ LYS 85 2HZ LYS 85 -5.851 -7.181 -24.969 731 3HZ LYS 85 3HZ LYS 85 -4.701 -7.213 -26.218 732 H THR 86 H THR 86 -5.784 -6.540 -18.553 733 HA THR 86 HA THR 86 -3.835 -4.341 -19.114 734 HB THR 86 HB THR 86 -3.910 -3.728 -16.757 735 HG1 THR 86 HG1 THR 86 -6.068 -5.270 -16.113 736 1HG2 THR 86 1HG2 THR 86 -5.808 -3.117 -18.541 737 2HG2 THR 86 2HG2 THR 86 -5.893 -2.564 -16.869 738 3HG2 THR 86 3HG2 THR 86 -6.816 -3.977 -17.378 739 H ARG 87 H ARG 87 -1.895 -4.596 -17.469 740 HA ARG 87 HA ARG 87 -1.062 -7.453 -17.636 741 1HB ARG 87 2HB ARG 87 0.460 -4.850 -17.472 742 2HB ARG 87 1HB ARG 87 1.246 -6.398 -17.154 743 1HG ARG 87 2HG ARG 87 1.556 -5.855 -19.499 744 2HG ARG 87 1HG ARG 87 0.424 -7.202 -19.387 745 1HD ARG 87 2HD ARG 87 -1.250 -5.995 -20.306 746 2HD ARG 87 1HD ARG 87 -0.930 -4.620 -19.248 747 HE ARG 87 HE ARG 87 0.660 -3.787 -20.891 748 1HH1 ARG 87 2HH1 ARG 87 1.156 -6.710 -21.903 749 2HH1 ARG 87 1HH1 ARG 87 0.555 -6.562 -23.520 750 1HH2 ARG 87 1HH2 ARG 87 -1.070 -3.557 -22.924 751 2HH2 ARG 87 2HH2 ARG 87 -0.707 -4.778 -24.098 752 H VAL 88 H VAL 88 0.164 -8.330 -15.774 753 HA VAL 88 HA VAL 88 -0.984 -7.331 -13.223 754 HB VAL 88 HB VAL 88 0.325 -9.936 -14.032 755 1HG1 VAL 88 1HG1 VAL 88 1.145 -9.512 -11.818 756 2HG1 VAL 88 2HG1 VAL 88 -0.215 -10.619 -11.638 757 3HG1 VAL 88 3HG1 VAL 88 -0.421 -8.904 -11.285 758 1HG2 VAL 88 1HG2 VAL 88 -2.423 -9.191 -12.980 759 2HG2 VAL 88 2HG2 VAL 88 -1.885 -10.837 -13.311 760 3HG2 VAL 88 3HG2 VAL 88 -2.038 -9.678 -14.631 761 H VAL 89 H VAL 89 0.276 -6.116 -11.921 762 HA VAL 89 HA VAL 89 3.110 -5.785 -12.541 763 HB VAL 89 HB VAL 89 1.339 -4.599 -10.394 764 1HG1 VAL 89 1HG1 VAL 89 3.257 -3.019 -10.050 765 2HG1 VAL 89 2HG1 VAL 89 4.239 -4.051 -11.090 766 3HG1 VAL 89 3HG1 VAL 89 3.622 -4.673 -9.560 767 1HG2 VAL 89 1HG2 VAL 89 2.637 -3.263 -12.779 768 2HG2 VAL 89 2HG2 VAL 89 1.343 -2.636 -11.756 769 3HG2 VAL 89 3HG2 VAL 89 1.024 -3.976 -12.858 770 H ARG 90 H ARG 90 1.183 -7.381 -10.043 771 HA ARG 90 HA ARG 90 3.201 -9.226 -9.329 772 1HB ARG 90 2HB ARG 90 4.513 -7.397 -8.471 773 2HB ARG 90 1HB ARG 90 3.125 -6.732 -7.611 774 1HG ARG 90 2HG ARG 90 3.044 -8.932 -6.314 775 2HG ARG 90 1HG ARG 90 4.626 -9.288 -7.008 776 1HD ARG 90 2HD ARG 90 4.792 -8.211 -4.764 777 2HD ARG 90 1HD ARG 90 5.554 -7.252 -6.031 778 HE ARG 90 HE ARG 90 2.780 -6.499 -5.598 779 1HH1 ARG 90 2HH1 ARG 90 5.335 -4.821 -6.190 780 2HH1 ARG 90 1HH1 ARG 90 5.399 -3.859 -4.752 781 1HH2 ARG 90 1HH2 ARG 90 3.154 -5.843 -3.005 782 2HH2 ARG 90 2HH2 ARG 90 4.165 -4.438 -2.947 783 H ALA 91 H ALA 91 1.573 -10.713 -9.002 784 HA ALA 91 HA ALA 91 -0.656 -10.018 -7.170 785 1HB ALA 91 1HB ALA 91 -0.427 -11.641 -9.485 786 2HB ALA 91 2HB ALA 91 -1.860 -11.389 -8.488 787 3HB ALA 91 3HB ALA 91 -0.765 -12.726 -8.137 788 H ASP 92 H ASP 92 -0.100 -10.298 -5.052 789 HA ASP 92 HA ASP 92 1.767 -12.444 -4.280 790 1HB ASP 92 2HB ASP 92 1.090 -9.923 -3.226 791 2HB ASP 92 1HB ASP 92 0.490 -11.099 -2.056 792 H GLY 93 H GLY 93 -1.508 -11.461 -3.255 793 1HA GLY 93 2HA GLY 93 -2.400 -14.257 -3.313 794 2HA GLY 93 1HA GLY 93 -2.309 -13.552 -1.697 795 H LEU 94 H LEU 94 -3.814 -11.943 -1.108 796 HA LEU 94 HA LEU 94 -6.239 -11.880 -2.778 797 1HB LEU 94 2HB LEU 94 -5.608 -11.519 0.029 798 2HB LEU 94 1HB LEU 94 -6.579 -10.172 -0.566 799 HG LEU 94 HG LEU 94 -7.969 -12.120 -1.712 800 1HD1 LEU 94 1HD1 LEU 94 -7.011 -14.118 -1.151 801 2HD1 LEU 94 2HD1 LEU 94 -7.948 -13.908 0.330 802 3HD1 LEU 94 3HD1 LEU 94 -6.242 -13.458 0.293 803 1HD2 LEU 94 1HD2 LEU 94 -8.738 -12.208 1.054 804 2HD2 LEU 94 2HD2 LEU 94 -9.487 -11.305 -0.262 805 3HD2 LEU 94 3HD2 LEU 94 -8.179 -10.580 0.673 806 H TYR 95 H TYR 95 -3.592 -9.776 -1.854 807 HA TYR 95 HA TYR 95 -4.891 -7.525 -3.322 808 1HB TYR 95 2HB TYR 95 -3.395 -7.626 -0.915 809 2HB TYR 95 1HB TYR 95 -2.378 -6.810 -2.103 810 HD1 TYR 95 HD1 TYR 95 -5.047 -6.403 0.201 811 HD2 TYR 95 HD2 TYR 95 -3.584 -5.001 -3.589 812 HE1 TYR 95 HE1 TYR 95 -6.422 -4.352 0.430 813 HE2 TYR 95 HE2 TYR 95 -4.960 -2.947 -3.360 814 HH TYR 95 HH TYR 95 -7.391 -2.627 -0.940 815 H VAL 96 H VAL 96 -4.076 -6.948 -5.294 816 HA VAL 96 HA VAL 96 -1.350 -7.936 -6.015 817 HB VAL 96 HB VAL 96 -3.814 -8.102 -7.777 818 1HG1 VAL 96 1HG1 VAL 96 -1.984 -9.614 -9.016 819 2HG1 VAL 96 2HG1 VAL 96 -0.887 -8.488 -8.217 820 3HG1 VAL 96 3HG1 VAL 96 -2.118 -7.883 -9.325 821 1HG2 VAL 96 1HG2 VAL 96 -3.982 -9.831 -6.140 822 2HG2 VAL 96 2HG2 VAL 96 -2.251 -10.164 -6.208 823 3HG2 VAL 96 3HG2 VAL 96 -3.289 -10.602 -7.566 824 H ASP 97 H ASP 97 -0.360 -6.702 -7.771 825 HA ASP 97 HA ASP 97 -1.368 -3.898 -7.841 826 1HB ASP 97 2HB ASP 97 1.332 -5.118 -8.500 827 2HB ASP 97 1HB ASP 97 0.937 -3.423 -8.784 828 H LEU 98 H LEU 98 -1.511 -2.817 -9.952 829 HA LEU 98 HA LEU 98 -1.525 -4.694 -12.270 830 1HB LEU 98 2HB LEU 98 -3.835 -3.828 -10.999 831 2HB LEU 98 1HB LEU 98 -3.681 -2.718 -12.359 832 HG LEU 98 HG LEU 98 -4.983 -4.825 -12.870 833 1HD1 LEU 98 1HD1 LEU 98 -2.527 -3.958 -14.351 834 2HD1 LEU 98 2HD1 LEU 98 -4.220 -3.789 -14.805 835 3HD1 LEU 98 3HD1 LEU 98 -3.425 -5.356 -14.936 836 1HD2 LEU 98 1HD2 LEU 98 -4.107 -6.853 -12.413 837 2HD2 LEU 98 2HD2 LEU 98 -2.783 -6.029 -11.592 838 3HD2 LEU 98 3HD2 LEU 98 -2.629 -6.464 -13.292 839 H ARG 99 H ARG 99 -0.691 -3.856 -14.091 840 HA ARG 99 HA ARG 99 -0.279 -0.898 -14.246 841 1HB ARG 99 2HB ARG 99 1.892 -1.874 -13.857 842 2HB ARG 99 1HB ARG 99 1.593 -3.151 -15.035 843 1HG ARG 99 2HG ARG 99 1.373 -1.321 -16.789 844 2HG ARG 99 1HG ARG 99 1.989 -0.200 -15.575 845 1HD ARG 99 2HD ARG 99 3.465 -2.746 -16.237 846 2HD ARG 99 1HD ARG 99 3.705 -1.277 -17.184 847 HE ARG 99 HE ARG 99 3.984 -0.621 -14.424 848 1HH1 ARG 99 2HH1 ARG 99 5.478 -3.229 -14.485 849 2HH1 ARG 99 1HH1 ARG 99 7.076 -2.717 -14.916 850 1HH2 ARG 99 1HH2 ARG 99 6.062 0.402 -16.041 851 2HH2 ARG 99 2HH2 ARG 99 7.406 -0.663 -15.797 852 H ARG 100 H ARG 100 -1.679 -0.229 -15.826 853 HA ARG 100 HA ARG 100 -2.302 -2.079 -18.058 854 1HB ARG 100 2HB ARG 100 -4.003 -0.258 -18.621 855 2HB ARG 100 1HB ARG 100 -4.251 -1.099 -17.091 856 1HG ARG 100 2HG ARG 100 -3.582 0.723 -15.821 857 2HG ARG 100 1HG ARG 100 -2.565 1.376 -17.105 858 1HD ARG 100 2HD ARG 100 -5.590 1.291 -17.240 859 2HD ARG 100 1HD ARG 100 -4.673 2.698 -16.701 860 HE ARG 100 HE ARG 100 -4.997 1.837 -19.454 861 1HH1 ARG 100 1HH2 ARG 100 -4.423 4.608 -18.097 862 2HH1 ARG 100 2HH2 ARG 100 -2.919 4.997 -18.864 863 1HH2 ARG 100 2HH1 ARG 100 -2.391 1.785 -20.057 864 2HH2 ARG 100 1HH1 ARG 100 -1.769 3.400 -19.973 865 H PHE 101 H PHE 101 -2.368 -1.150 -20.284 866 HA PHE 101 HA PHE 101 -0.569 1.155 -20.742 867 1HB PHE 101 2HB PHE 101 0.884 -0.886 -20.699 868 2HB PHE 101 1HB PHE 101 -0.076 -1.552 -22.020 869 HD1 PHE 101 HD1 PHE 101 1.330 1.851 -21.272 870 HD2 PHE 101 HD2 PHE 101 1.056 -1.415 -24.051 871 HE1 PHE 101 HE1 PHE 101 2.689 3.130 -22.908 872 HE2 PHE 101 HE2 PHE 101 2.414 -0.136 -25.688 873 HZ PHE 101 HZ PHE 101 3.230 2.135 -25.116 874 H PHE 102 HN PHE 102 -0.728 1.923 -23.002 875 HA PHE 102 HA PHE 102 -2.615 0.729 -24.839 876 1HB PHE 102 2HB PHE 102 -4.130 1.690 -23.042 877 2HB PHE 102 1HB PHE 102 -3.539 3.285 -23.503 878 HD1 PHE 102 HD1 PHE 102 -5.963 0.770 -24.173 879 HD2 PHE 102 HD2 PHE 102 -3.661 3.870 -26.061 880 HE1 PHE 102 HE1 PHE 102 -7.581 0.825 -26.051 881 HE2 PHE 102 HE2 PHE 102 -5.281 3.926 -27.940 882 HZ PHE 102 HZ PHE 102 -7.242 2.405 -27.935 Start of MODEL 11 1 1H MET 1 1H MET 1 15.814 -37.998 -48.198 2 2H MET 1 2H MET 1 17.442 -38.162 -47.736 3 3H MET 1 3H MET 1 16.808 -36.627 -48.097 4 HA MET 1 HA MET 1 17.008 -37.737 -45.614 5 1HB MET 1 2HB MET 1 16.358 -35.304 -46.780 6 2HB MET 1 1HB MET 1 14.900 -35.721 -45.878 7 1HG MET 1 2HG MET 1 17.072 -36.380 -44.194 8 2HG MET 1 1HG MET 1 17.441 -34.794 -44.871 9 1HE MET 1 1HE MET 1 17.314 -35.251 -42.132 10 2HE MET 1 2HE MET 1 16.003 -34.498 -41.228 11 3HE MET 1 3HE MET 1 17.040 -33.507 -42.251 12 H THR 2 H THR 2 15.874 -39.910 -46.192 13 HA THR 2 HA THR 2 12.926 -39.764 -46.033 14 HB THR 2 HB THR 2 13.967 -41.402 -47.563 15 HG1 THR 2 HG1 THR 2 11.974 -41.861 -46.442 16 1HG2 THR 2 1HG2 THR 2 14.854 -43.274 -45.531 17 2HG2 THR 2 2HG2 THR 2 15.755 -41.760 -45.435 18 3HG2 THR 2 3HG2 THR 2 15.720 -42.672 -46.944 19 H VAL 3 H VAL 3 11.739 -40.537 -44.250 20 HA VAL 3 HA VAL 3 13.288 -41.425 -41.867 21 HB VAL 3 HB VAL 3 12.999 -39.050 -41.506 22 1HG1 VAL 3 1HG1 VAL 3 10.191 -38.715 -41.414 23 2HG1 VAL 3 2HG1 VAL 3 10.541 -39.528 -42.940 24 3HG1 VAL 3 3HG1 VAL 3 11.317 -37.990 -42.561 25 1HG2 VAL 3 1HG2 VAL 3 12.290 -40.859 -39.707 26 2HG2 VAL 3 2HG2 VAL 3 10.685 -40.176 -39.963 27 3HG2 VAL 3 3HG2 VAL 3 12.003 -39.145 -39.405 28 H ILE 4 H ILE 4 11.971 -42.626 -40.337 29 HA ILE 4 HA ILE 4 9.228 -43.311 -41.251 30 HB ILE 4 HB ILE 4 9.830 -45.766 -40.779 31 1HG1 ILE 4 2HG1 ILE 4 12.615 -45.184 -41.575 32 2HG1 ILE 4 1HG1 ILE 4 12.205 -44.687 -39.932 33 1HG2 ILE 4 1HG2 ILE 4 11.278 -44.562 -43.144 34 2HG2 ILE 4 2HG2 ILE 4 9.517 -44.615 -43.056 35 3HG2 ILE 4 3HG2 ILE 4 10.446 -46.114 -43.051 36 1HD1 ILE 4 1HD1 ILE 4 13.018 -46.993 -39.907 37 2HD1 ILE 4 2HD1 ILE 4 11.818 -47.453 -41.114 38 3HD1 ILE 4 3HD1 ILE 4 11.302 -46.967 -39.499 39 H LYS 5 H LYS 5 8.145 -42.610 -39.448 40 HA LYS 5 HA LYS 5 7.413 -42.592 -37.218 41 1HB LYS 5 2HB LYS 5 7.760 -45.123 -37.577 42 2HB LYS 5 1HB LYS 5 9.286 -44.909 -36.718 43 1HG LYS 5 2HG LYS 5 8.254 -44.463 -34.708 44 2HG LYS 5 1HG LYS 5 6.844 -43.731 -35.474 45 1HD LYS 5 2HD LYS 5 5.993 -45.906 -36.124 46 2HD LYS 5 1HD LYS 5 7.461 -46.697 -35.550 47 1HE LYS 5 2HE LYS 5 6.483 -45.127 -33.398 48 2HE LYS 5 1HE LYS 5 5.105 -46.007 -34.059 49 1HZ LYS 5 1HZ LYS 5 7.607 -47.472 -33.699 50 2HZ LYS 5 2HZ LYS 5 6.002 -48.006 -33.536 51 3HZ LYS 5 3HZ LYS 5 6.723 -47.084 -32.305 52 HA PRO 6 HA PRO 6 11.269 -40.420 -36.030 53 1HB PRO 6 2HB PRO 6 10.021 -38.004 -35.624 54 2HB PRO 6 1HB PRO 6 10.656 -38.527 -37.193 55 1HG PRO 6 2HG PRO 6 7.824 -38.389 -36.264 56 2HG PRO 6 1HG PRO 6 8.472 -38.277 -37.910 57 1HD PRO 6 2HD PRO 6 7.253 -40.559 -36.763 58 2HD PRO 6 1HD PRO 6 8.204 -40.527 -38.264 59 H SER 7 H SER 7 11.783 -40.884 -33.921 60 HA SER 7 HA SER 7 9.976 -41.397 -31.830 61 1HB SER 7 2HB SER 7 12.574 -40.115 -31.120 62 2HB SER 7 1HB SER 7 11.828 -41.573 -30.471 63 HG SER 7 HG SER 7 13.726 -41.456 -32.234 64 H SER 8 H SER 8 10.094 -39.930 -29.693 65 HA SER 8 HA SER 8 10.334 -37.148 -29.761 66 1HB SER 8 2HB SER 8 7.783 -36.627 -30.040 67 2HB SER 8 1HB SER 8 8.778 -36.825 -31.480 68 HG SER 8 HG SER 8 7.372 -38.954 -30.242 69 H ARG 9 H ARG 9 9.630 -36.226 -27.787 70 HA ARG 9 HA ARG 9 9.402 -37.852 -25.538 71 1HB ARG 9 2HB ARG 9 8.729 -35.031 -26.153 72 2HB ARG 9 1HB ARG 9 7.943 -35.706 -24.725 73 1HG ARG 9 2HG ARG 9 9.861 -35.625 -23.549 74 2HG ARG 9 1HG ARG 9 10.729 -36.494 -24.816 75 1HD ARG 9 2HD ARG 9 11.775 -34.589 -25.388 76 2HD ARG 9 1HD ARG 9 10.217 -33.869 -25.792 77 HE ARG 9 HE ARG 9 10.089 -33.094 -23.420 78 1HH1 ARG 9 2HH1 ARG 9 12.776 -32.455 -25.092 79 2HH1 ARG 9 1HH1 ARG 9 13.880 -32.395 -23.759 80 1HH2 ARG 9 1HH2 ARG 9 11.645 -33.789 -21.502 81 2HH2 ARG 9 2HH2 ARG 9 13.238 -33.149 -21.726 82 HA PRO 10 HA PRO 10 5.343 -39.530 -25.773 83 1HB PRO 10 2HB PRO 10 5.120 -40.305 -23.145 84 2HB PRO 10 1HB PRO 10 6.100 -41.170 -24.342 85 1HG PRO 10 2HG PRO 10 6.990 -39.388 -22.122 86 2HG PRO 10 1HG PRO 10 7.856 -40.718 -22.909 87 1HD PRO 10 2HD PRO 10 8.261 -37.956 -23.392 88 2HD PRO 10 1HD PRO 10 8.875 -39.293 -24.388 89 H ARG 11 H ARG 11 3.643 -38.099 -25.971 90 HA ARG 11 HA ARG 11 3.208 -35.804 -24.350 91 1HB ARG 11 2HB ARG 11 1.359 -37.444 -26.095 92 2HB ARG 11 1HB ARG 11 0.815 -35.989 -25.260 93 1HG ARG 11 2HG ARG 11 3.338 -35.520 -26.617 94 2HG ARG 11 1HG ARG 11 2.113 -36.102 -27.746 95 1HD ARG 11 2HD ARG 11 1.826 -33.753 -25.849 96 2HD ARG 11 1HD ARG 11 1.998 -33.662 -27.601 97 HE ARG 11 HE ARG 11 -0.313 -35.197 -26.566 98 1HH1 ARG 11 2HH1 ARG 11 0.043 -34.068 -29.383 99 2HH1 ARG 11 1HH1 ARG 11 -1.047 -32.723 -29.341 100 1HH2 ARG 11 1HH2 ARG 11 -1.314 -32.706 -25.884 101 2HH2 ARG 11 2HH2 ARG 11 -1.816 -31.952 -27.360 102 HA PRO 12 HA PRO 12 1.426 -37.543 -20.725 103 1HB PRO 12 2HB PRO 12 0.078 -35.315 -19.843 104 2HB PRO 12 1HB PRO 12 1.835 -35.510 -19.716 105 1HG PRO 12 2HG PRO 12 0.266 -33.813 -21.602 106 2HG PRO 12 1HG PRO 12 1.917 -33.590 -21.000 107 1HD PRO 12 2HD PRO 12 1.208 -34.597 -23.547 108 2HD PRO 12 1HD PRO 12 2.817 -34.691 -22.800 109 H ARG 13 H ARG 13 -0.154 -39.056 -21.349 110 HA ARG 13 HA ARG 13 -2.932 -38.042 -21.462 111 1HB ARG 13 2HB ARG 13 -3.383 -39.544 -23.457 112 2HB ARG 13 1HB ARG 13 -2.407 -38.117 -23.810 113 1HG ARG 13 2HG ARG 13 -0.799 -39.467 -24.619 114 2HG ARG 13 1HG ARG 13 -0.599 -40.140 -23.001 115 1HD ARG 13 2HD ARG 13 -1.606 -42.071 -23.587 116 2HD ARG 13 1HD ARG 13 -2.962 -41.214 -24.321 117 HE ARG 13 HE ARG 13 -0.386 -41.608 -25.789 118 1HH1 ARG 13 2HH1 ARG 13 -2.230 -43.843 -26.210 119 2HH1 ARG 13 1HH1 ARG 13 -3.193 -43.322 -27.553 120 1HH2 ARG 13 1HH2 ARG 13 -2.311 -39.983 -27.231 121 2HH2 ARG 13 2HH2 ARG 13 -3.238 -41.137 -28.131 122 H LYS 14 H LYS 14 -1.448 -39.522 -19.469 123 HA LYS 14 HA LYS 14 -2.383 -42.310 -19.710 124 1HB LYS 14 2HB LYS 14 -1.223 -42.653 -17.575 125 2HB LYS 14 1HB LYS 14 -0.163 -41.813 -18.708 126 1HG LYS 14 2HG LYS 14 0.094 -40.198 -17.162 127 2HG LYS 14 1HG LYS 14 -1.604 -39.784 -17.396 128 1HD LYS 14 2HD LYS 14 -1.690 -40.266 -15.150 129 2HD LYS 14 1HD LYS 14 -1.916 -41.902 -15.769 130 1HE LYS 14 2HE LYS 14 0.667 -42.061 -15.725 131 2HE LYS 14 1HE LYS 14 0.598 -40.641 -14.683 132 1HZ LYS 14 1HZ LYS 14 0.177 -42.002 -13.006 133 2HZ LYS 14 2HZ LYS 14 0.073 -43.345 -14.042 134 3HZ LYS 14 3HZ LYS 14 -1.306 -42.401 -13.729 135 H ASN 15 H ASN 15 -3.331 -43.089 -17.380 136 HA ASN 15 HA ASN 15 -5.754 -41.407 -17.006 137 1HB ASN 15 2HB ASN 15 -5.127 -44.293 -16.782 138 2HB ASN 15 1HB ASN 15 -6.235 -43.665 -15.561 139 1HD2 ASN 15 1HD2 ASN 15 -8.098 -42.259 -16.519 140 2HD2 ASN 15 2HD2 ASN 15 -8.761 -42.777 -17.993 141 H LYS 16 H LYS 16 -5.843 -40.115 -15.243 142 HA LYS 16 HA LYS 16 -5.481 -39.322 -13.064 143 1HB LYS 16 2HB LYS 16 -4.489 -42.114 -12.442 144 2HB LYS 16 1HB LYS 16 -5.150 -40.931 -11.312 145 1HG LYS 16 2HG LYS 16 -7.320 -41.029 -12.559 146 2HG LYS 16 1HG LYS 16 -6.646 -42.324 -13.549 147 1HD LYS 16 2HD LYS 16 -6.529 -43.819 -11.736 148 2HD LYS 16 1HD LYS 16 -6.630 -42.523 -10.544 149 1HE LYS 16 2HE LYS 16 -8.775 -43.633 -10.599 150 2HE LYS 16 1HE LYS 16 -8.967 -42.056 -11.364 151 1HZ LYS 16 1HZ LYS 16 -8.723 -43.104 -13.521 152 2HZ LYS 16 2HZ LYS 16 -10.009 -43.808 -12.663 153 3HZ LYS 16 3HZ LYS 16 -8.523 -44.623 -12.790 154 H ASN 17 H ASN 17 -3.776 -37.898 -13.325 155 HA ASN 17 HA ASN 17 -1.027 -39.023 -13.486 156 1HB ASN 17 2HB ASN 17 -2.339 -36.582 -14.438 157 2HB ASN 17 1HB ASN 17 -0.802 -36.263 -13.633 158 1HD2 ASN 17 1HD2 ASN 17 -1.728 -36.428 -16.641 159 2HD2 ASN 17 2HD2 ASN 17 -0.514 -37.377 -17.353 160 H ILE 18 H ILE 18 -1.818 -39.554 -11.043 161 HA ILE 18 HA ILE 18 -1.703 -37.445 -9.110 162 HB ILE 18 HB ILE 18 -1.062 -40.400 -8.867 163 1HG1 ILE 18 2HG1 ILE 18 -3.479 -38.956 -7.792 164 2HG1 ILE 18 1HG1 ILE 18 -3.436 -39.487 -9.474 165 1HG2 ILE 18 1HG2 ILE 18 0.044 -39.317 -7.042 166 2HG2 ILE 18 2HG2 ILE 18 -1.478 -39.927 -6.395 167 3HG2 ILE 18 3HG2 ILE 18 -1.310 -38.216 -6.787 168 1HD1 ILE 18 1HD1 ILE 18 -2.555 -41.527 -7.535 169 2HD1 ILE 18 2HD1 ILE 18 -3.644 -41.681 -8.914 170 3HD1 ILE 18 3HD1 ILE 18 -4.247 -41.059 -7.379 171 H LYS 19 H LYS 19 0.118 -37.050 -7.584 172 HA LYS 19 HA LYS 19 2.795 -37.816 -8.602 173 1HB LYS 19 2HB LYS 19 3.514 -35.383 -8.407 174 2HB LYS 19 1HB LYS 19 2.456 -35.748 -9.771 175 1HG LYS 19 2HG LYS 19 0.681 -35.186 -7.705 176 2HG LYS 19 1HG LYS 19 1.977 -34.013 -7.468 177 1HD LYS 19 2HD LYS 19 1.312 -34.276 -10.283 178 2HD LYS 19 1HD LYS 19 -0.108 -33.837 -9.335 179 1HE LYS 19 2HE LYS 19 1.204 -31.851 -10.123 180 2HE LYS 19 1HE LYS 19 1.058 -31.938 -8.368 181 1HZ LYS 19 1HZ LYS 19 3.339 -31.455 -9.234 182 2HZ LYS 19 2HZ LYS 19 3.374 -33.036 -9.856 183 3HZ LYS 19 3HZ LYS 19 3.239 -32.781 -8.181 184 H VAL 20 H VAL 20 4.497 -36.742 -7.004 185 HA VAL 20 HA VAL 20 3.525 -37.380 -4.267 186 HB VAL 20 HB VAL 20 6.316 -37.100 -5.421 187 1HG1 VAL 20 1HG1 VAL 20 7.192 -37.605 -3.277 188 2HG1 VAL 20 2HG1 VAL 20 5.611 -38.074 -2.651 189 3HG1 VAL 20 3HG1 VAL 20 5.966 -36.375 -2.969 190 1HG2 VAL 20 1HG2 VAL 20 5.244 -39.581 -4.147 191 2HG2 VAL 20 2HG2 VAL 20 6.381 -39.408 -5.484 192 3HG2 VAL 20 3HG2 VAL 20 4.655 -39.172 -5.759 193 H ASN 21 H ASN 21 3.838 -35.900 -2.536 194 HA ASN 21 HA ASN 21 4.199 -33.080 -3.432 195 1HB ASN 21 2HB ASN 21 2.243 -34.252 -1.853 196 2HB ASN 21 1HB ASN 21 3.311 -33.493 -0.671 197 1HD2 ASN 21 1HD2 ASN 21 0.527 -32.700 -1.794 198 2HD2 ASN 21 2HD2 ASN 21 0.730 -31.079 -2.252 199 H THR 22 H THR 22 6.041 -32.031 -2.858 200 HA THR 22 HA THR 22 7.437 -32.783 -0.363 201 HB THR 22 HB THR 22 9.094 -32.615 -2.862 202 HG1 THR 22 HG1 THR 22 7.999 -34.293 -3.522 203 1HG2 THR 22 1HG2 THR 22 10.699 -33.040 -1.349 204 2HG2 THR 22 2HG2 THR 22 9.929 -34.583 -0.985 205 3HG2 THR 22 3HG2 THR 22 9.487 -33.140 -0.072 206 H TYR 23 H TYR 23 6.059 -30.424 -1.895 207 HA TYR 23 HA TYR 23 8.077 -28.425 -1.024 208 1HB TYR 23 2HB TYR 23 7.125 -28.870 -3.792 209 2HB TYR 23 1HB TYR 23 7.101 -27.192 -3.249 210 HD1 TYR 23 HD1 TYR 23 9.358 -26.916 -1.491 211 HD2 TYR 23 HD2 TYR 23 9.030 -29.227 -5.099 212 HE1 TYR 23 HE1 TYR 23 11.816 -26.778 -1.802 213 HE2 TYR 23 HE2 TYR 23 11.487 -29.090 -5.411 214 HH TYR 23 HH TYR 23 13.596 -28.027 -2.955 215 H ARG 24 H ARG 24 6.614 -28.052 0.747 216 HA ARG 24 HA ARG 24 4.088 -26.670 -0.071 217 1HB ARG 24 2HB ARG 24 4.513 -28.856 1.761 218 2HB ARG 24 1HB ARG 24 3.896 -27.458 2.645 219 1HG ARG 24 2HG ARG 24 2.314 -27.386 0.427 220 2HG ARG 24 1HG ARG 24 2.570 -29.124 0.590 221 1HD ARG 24 2HD ARG 24 1.524 -29.225 2.661 222 2HD ARG 24 1HD ARG 24 1.879 -27.539 3.038 223 HE ARG 24 HE ARG 24 -0.280 -27.121 2.210 224 1HH1 ARG 24 2HH1 ARG 24 0.886 -30.037 0.869 225 2HH1 ARG 24 1HH1 ARG 24 -0.224 -30.043 -0.460 226 1HH2 ARG 24 1HH2 ARG 24 -1.559 -26.933 0.298 227 2HH2 ARG 24 2HH2 ARG 24 -1.609 -28.285 -0.785 228 H THR 25 H THR 25 5.733 -24.808 -0.162 229 HA THR 25 HA THR 25 6.278 -23.740 2.573 230 HB THR 25 HB THR 25 8.310 -23.794 1.341 231 HG1 THR 25 HG1 THR 25 8.142 -21.809 2.249 232 1HG2 THR 25 1HG2 THR 25 8.270 -22.571 -0.988 233 2HG2 THR 25 2HG2 THR 25 6.549 -22.953 -0.936 234 3HG2 THR 25 3HG2 THR 25 7.743 -24.249 -0.869 235 H SER 26 H SER 26 6.062 -21.274 2.689 236 HA SER 26 HA SER 26 3.503 -20.513 1.369 237 1HB SER 26 2HB SER 26 3.631 -18.627 3.140 238 2HB SER 26 1HB SER 26 3.290 -20.260 3.707 239 HG SER 26 HG SER 26 5.893 -19.139 3.552 240 H ALA 27 H ALA 27 6.467 -20.333 0.385 241 HA ALA 27 HA ALA 27 6.621 -17.409 -0.084 242 1HB ALA 27 1HB ALA 27 8.817 -17.884 0.161 243 2HB ALA 27 2HB ALA 27 8.733 -18.620 -1.439 244 3HB ALA 27 3HB ALA 27 8.527 -19.616 0.002 245 H MET 28 H MET 28 6.517 -20.451 -1.928 246 HA MET 28 HA MET 28 5.994 -20.826 -4.195 247 1HB MET 28 2HB MET 28 3.853 -19.683 -2.940 248 2HB MET 28 1HB MET 28 4.111 -18.547 -4.264 249 1HG MET 28 2HG MET 28 4.388 -21.218 -5.277 250 2HG MET 28 1HG MET 28 2.872 -21.105 -4.383 251 1HE MET 28 1HE MET 28 0.943 -18.600 -5.336 252 2HE MET 28 2HE MET 28 1.121 -20.265 -4.789 253 3HE MET 28 3HE MET 28 0.521 -19.938 -6.413 254 H ASP 29 H ASP 29 5.393 -19.275 -6.322 255 HA ASP 29 HA ASP 29 7.308 -17.000 -6.334 256 1HB ASP 29 2HB ASP 29 8.578 -18.978 -7.097 257 2HB ASP 29 1HB ASP 29 7.359 -19.279 -8.336 258 H LEU 30 H LEU 30 6.509 -15.303 -7.505 259 HA LEU 30 HA LEU 30 4.165 -15.860 -9.282 260 1HB LEU 30 2HB LEU 30 4.242 -14.246 -7.023 261 2HB LEU 30 1HB LEU 30 4.437 -13.098 -8.349 262 HG LEU 30 HG LEU 30 2.065 -13.366 -7.944 263 1HD1 LEU 30 1HD1 LEU 30 3.283 -13.762 -10.387 264 2HD1 LEU 30 2HD1 LEU 30 1.554 -13.513 -10.150 265 3HD1 LEU 30 3HD1 LEU 30 2.198 -15.149 -10.280 266 1HD2 LEU 30 1HD2 LEU 30 1.163 -15.793 -8.399 267 2HD2 LEU 30 2HD2 LEU 30 1.806 -15.396 -6.805 268 3HD2 LEU 30 3HD2 LEU 30 2.800 -16.285 -7.961 269 H SER 31 H SER 31 4.338 -15.154 -11.378 270 HA SER 31 HA SER 31 6.686 -13.417 -12.034 271 1HB SER 31 2HB SER 31 6.830 -14.622 -14.181 272 2HB SER 31 1HB SER 31 7.004 -15.732 -12.825 273 HG SER 31 HG SER 31 4.537 -15.822 -13.130 274 HA PRO 32 HA PRO 32 3.062 -11.086 -13.454 275 1HB PRO 32 2HB PRO 32 4.266 -8.641 -13.100 276 2HB PRO 32 1HB PRO 32 3.435 -9.519 -11.805 277 1HG PRO 32 2HG PRO 32 6.363 -9.164 -12.255 278 2HG PRO 32 1HG PRO 32 5.486 -9.440 -10.740 279 1HD PRO 32 2HD PRO 32 6.934 -11.390 -12.187 280 2HD PRO 32 1HD PRO 32 5.773 -11.711 -10.880 281 H GLY 33 H GLY 33 2.979 -9.315 -15.224 282 1HA GLY 33 2HA GLY 33 4.189 -8.235 -17.100 283 2HA GLY 33 1HA GLY 33 5.246 -9.648 -17.144 284 H SER 34 H SER 34 1.919 -10.302 -16.582 285 HA SER 34 HA SER 34 1.662 -11.218 -19.419 286 1HB SER 34 2HB SER 34 1.289 -12.602 -16.940 287 2HB SER 34 1HB SER 34 -0.273 -12.479 -17.743 288 HG SER 34 HG SER 34 2.156 -13.440 -18.866 289 H VAL 35 H VAL 35 -0.623 -11.195 -20.241 290 HA VAL 35 HA VAL 35 -2.012 -8.753 -19.240 291 HB VAL 35 HB VAL 35 -3.065 -8.660 -21.445 292 1HG1 VAL 35 1HG1 VAL 35 -1.079 -7.522 -21.679 293 2HG1 VAL 35 2HG1 VAL 35 -0.757 -8.835 -22.811 294 3HG1 VAL 35 3HG1 VAL 35 -0.107 -8.904 -21.173 295 1HG2 VAL 35 1HG2 VAL 35 -2.536 -10.339 -23.160 296 2HG2 VAL 35 2HG2 VAL 35 -3.271 -11.118 -21.760 297 3HG2 VAL 35 3HG2 VAL 35 -1.528 -11.217 -22.010 298 H HIS 36 H HIS 36 -4.391 -8.830 -19.129 299 HA HIS 36 HA HIS 36 -5.782 -11.374 -19.302 300 1HB HIS 36 2HB HIS 36 -6.279 -11.587 -16.883 301 2HB HIS 36 1HB HIS 36 -4.554 -11.765 -17.205 302 HD1 HIS 36 HD1 HIS 36 -7.036 -9.536 -15.539 303 HD2 HIS 36 HD2 HIS 36 -2.958 -9.501 -16.401 304 HE1 HIS 36 HE1 HIS 36 -6.030 -7.657 -14.171 305 H GLU 37 H GLU 37 -8.078 -11.125 -18.588 306 HA GLU 37 HA GLU 37 -8.956 -8.311 -18.994 307 1HB GLU 37 2HB GLU 37 -10.436 -10.952 -19.196 308 2HB GLU 37 1HB GLU 37 -11.202 -9.375 -19.399 309 1HG GLU 37 2HG GLU 37 -10.674 -10.035 -21.607 310 2HG GLU 37 1HG GLU 37 -9.370 -8.931 -21.171 311 H GLY 38 H GLY 38 -10.003 -7.208 -17.365 312 1HA GLY 38 2HA GLY 38 -11.015 -8.729 -15.028 313 2HA GLY 38 1HA GLY 38 -9.766 -7.521 -14.729 314 H ILE 39 H ILE 39 -11.992 -6.986 -13.413 315 HA ILE 39 HA ILE 39 -13.703 -5.228 -15.090 316 HB ILE 39 HB ILE 39 -14.006 -5.808 -12.133 317 1HG1 ILE 39 2HG1 ILE 39 -15.524 -7.290 -14.262 318 2HG1 ILE 39 1HG1 ILE 39 -13.916 -7.850 -13.802 319 1HG2 ILE 39 1HG2 ILE 39 -16.183 -4.983 -12.389 320 2HG2 ILE 39 2HG2 ILE 39 -16.190 -5.266 -14.129 321 3HG2 ILE 39 3HG2 ILE 39 -15.260 -3.927 -13.457 322 1HD1 ILE 39 1HD1 ILE 39 -14.566 -8.340 -11.613 323 2HD1 ILE 39 2HD1 ILE 39 -16.013 -8.775 -12.523 324 3HD1 ILE 39 3HD1 ILE 39 -15.939 -7.235 -11.667 325 H VAL 40 H VAL 40 -13.995 -2.970 -14.456 326 HA VAL 40 HA VAL 40 -11.555 -1.912 -13.103 327 HB VAL 40 HB VAL 40 -13.493 -0.657 -15.060 328 1HG1 VAL 40 1HG1 VAL 40 -11.383 0.541 -13.291 329 2HG1 VAL 40 2HG1 VAL 40 -12.972 1.177 -13.717 330 3HG1 VAL 40 3HG1 VAL 40 -11.659 1.223 -14.893 331 1HG2 VAL 40 1HG2 VAL 40 -10.551 -0.713 -15.472 332 2HG2 VAL 40 2HG2 VAL 40 -11.854 -0.961 -16.634 333 3HG2 VAL 40 3HG2 VAL 40 -11.371 -2.271 -15.557 334 H TYR 41 H TYR 41 -11.756 -0.232 -11.544 335 HA TYR 41 HA TYR 41 -14.487 0.345 -10.522 336 1HB TYR 41 2HB TYR 41 -13.100 -1.631 -9.323 337 2HB TYR 41 1HB TYR 41 -12.407 -0.250 -8.474 338 HD1 TYR 41 HD1 TYR 41 -15.647 -1.848 -9.409 339 HD2 TYR 41 HD2 TYR 41 -13.609 0.856 -6.764 340 HE1 TYR 41 HE1 TYR 41 -17.685 -1.690 -8.001 341 HE2 TYR 41 HE2 TYR 41 -15.645 1.017 -5.355 342 HH TYR 41 HH TYR 41 -18.596 -0.820 -6.176 343 H PHE 42 H PHE 42 -14.609 2.388 -9.492 344 HA PHE 42 HA PHE 42 -12.150 4.054 -9.809 345 1HB PHE 42 2HB PHE 42 -13.610 5.961 -10.016 346 2HB PHE 42 1HB PHE 42 -14.241 4.700 -11.075 347 HD1 PHE 42 HD1 PHE 42 -14.868 6.756 -8.140 348 HD2 PHE 42 HD2 PHE 42 -16.182 3.292 -10.321 349 HE1 PHE 42 HE1 PHE 42 -17.034 6.817 -6.932 350 HE2 PHE 42 HE2 PHE 42 -18.348 3.354 -9.113 351 HZ PHE 42 HZ PHE 42 -18.775 5.117 -7.420 352 H LYS 43 H LYS 43 -11.106 4.478 -7.928 353 HA LYS 43 HA LYS 43 -12.155 5.748 -5.695 354 1HB LYS 43 2HB LYS 43 -12.987 2.974 -5.798 355 2HB LYS 43 1HB LYS 43 -12.014 3.277 -4.358 356 1HG LYS 43 2HG LYS 43 -13.456 5.065 -3.656 357 2HG LYS 43 1HG LYS 43 -14.310 5.061 -5.199 358 1HD LYS 43 2HD LYS 43 -14.941 2.631 -4.662 359 2HD LYS 43 1HD LYS 43 -14.391 2.970 -3.020 360 1HE LYS 43 2HE LYS 43 -16.607 3.568 -2.791 361 2HE LYS 43 1HE LYS 43 -15.955 5.112 -3.342 362 1HZ LYS 43 1HZ LYS 43 -16.670 3.274 -5.454 363 2HZ LYS 43 2HZ LYS 43 -16.978 4.939 -5.308 364 3HZ LYS 43 3HZ LYS 43 -17.980 3.815 -4.523 365 H ASP 44 H ASP 44 -10.649 5.768 -3.859 366 HA ASP 44 HA ASP 44 -8.535 5.491 -2.846 367 1HB ASP 44 2HB ASP 44 -8.864 3.103 -4.201 368 2HB ASP 44 1HB ASP 44 -7.366 3.736 -4.886 369 H GLY 45 H GLY 45 -9.169 7.503 -4.832 370 1HA GLY 45 2HA GLY 45 -8.110 9.025 -6.288 371 2HA GLY 45 1HA GLY 45 -6.715 8.748 -5.242 372 H ILE 46 H ILE 46 -8.070 6.077 -7.009 373 HA ILE 46 HA ILE 46 -6.251 6.341 -9.288 374 HB ILE 46 HB ILE 46 -4.929 4.345 -8.789 375 1HG1 ILE 46 2HG1 ILE 46 -5.820 4.152 -5.981 376 2HG1 ILE 46 1HG1 ILE 46 -7.025 3.642 -7.163 377 1HG2 ILE 46 1HG2 ILE 46 -3.581 5.223 -6.975 378 2HG2 ILE 46 2HG2 ILE 46 -4.939 6.170 -6.367 379 3HG2 ILE 46 3HG2 ILE 46 -4.193 6.588 -7.909 380 1HD1 ILE 46 1HD1 ILE 46 -4.336 2.474 -6.571 381 2HD1 ILE 46 2HD1 ILE 46 -4.938 2.382 -8.226 382 3HD1 ILE 46 3HD1 ILE 46 -5.861 1.658 -6.911 383 H PHE 47 H PHE 47 -6.241 3.462 -9.819 384 HA PHE 47 HA PHE 47 -9.181 3.082 -10.260 385 1HB PHE 47 2HB PHE 47 -6.897 2.944 -12.075 386 2HB PHE 47 1HB PHE 47 -7.852 1.461 -12.098 387 HD1 PHE 47 HD1 PHE 47 -9.012 1.638 -14.165 388 HD2 PHE 47 HD2 PHE 47 -9.056 4.916 -11.386 389 HE1 PHE 47 HE1 PHE 47 -10.748 2.771 -15.529 390 HE2 PHE 47 HE2 PHE 47 -10.792 6.048 -12.751 391 HZ PHE 47 HZ PHE 47 -11.637 4.975 -14.822 392 H LYS 48 H LYS 48 -9.824 0.736 -10.363 393 HA LYS 48 HA LYS 48 -7.986 -1.010 -8.792 394 1HB LYS 48 2HB LYS 48 -10.632 0.010 -8.014 395 2HB LYS 48 1HB LYS 48 -10.476 -1.740 -7.871 396 1HG LYS 48 2HG LYS 48 -9.032 -1.582 -6.130 397 2HG LYS 48 1HG LYS 48 -8.134 -0.263 -6.885 398 1HD LYS 48 2HD LYS 48 -9.153 1.203 -5.522 399 2HD LYS 48 1HD LYS 48 -10.712 0.740 -6.203 400 1HE LYS 48 2HE LYS 48 -11.159 -0.776 -4.503 401 2HE LYS 48 1HE LYS 48 -9.452 -1.051 -4.157 402 1HZ LYS 48 1HZ LYS 48 -9.286 1.039 -3.095 403 2HZ LYS 48 2HZ LYS 48 -10.678 0.295 -2.467 404 3HZ LYS 48 3HZ LYS 48 -10.820 1.525 -3.630 405 H VAL 49 H VAL 49 -7.825 -3.013 -9.676 406 HA VAL 49 HA VAL 49 -9.834 -3.766 -11.755 407 HB VAL 49 HB VAL 49 -7.081 -4.967 -11.404 408 1HG1 VAL 49 1HG1 VAL 49 -9.291 -5.563 -13.042 409 2HG1 VAL 49 2HG1 VAL 49 -7.650 -6.187 -13.211 410 3HG1 VAL 49 3HG1 VAL 49 -8.139 -4.741 -14.093 411 1HG2 VAL 49 1HG2 VAL 49 -6.888 -3.274 -13.564 412 2HG2 VAL 49 2HG2 VAL 49 -6.288 -2.903 -11.948 413 3HG2 VAL 49 3HG2 VAL 49 -7.875 -2.325 -12.452 414 H ARG 50 H ARG 50 -11.168 -5.436 -11.227 415 HA ARG 50 HA ARG 50 -10.380 -7.165 -8.924 416 1HB ARG 50 2HB ARG 50 -12.688 -5.777 -9.266 417 2HB ARG 50 1HB ARG 50 -13.139 -7.316 -10.003 418 1HG ARG 50 2HG ARG 50 -12.829 -8.510 -8.021 419 2HG ARG 50 1HG ARG 50 -11.735 -7.302 -7.347 420 1HD ARG 50 2HD ARG 50 -14.739 -7.135 -7.631 421 2HD ARG 50 1HD ARG 50 -13.779 -7.027 -6.156 422 HE ARG 50 HE ARG 50 -13.977 -4.891 -8.226 423 1HH1 ARG 50 2HH1 ARG 50 -15.036 -4.573 -5.418 424 2HH1 ARG 50 1HH1 ARG 50 -13.761 -3.678 -4.661 425 1HH2 ARG 50 1HH2 ARG 50 -11.438 -4.373 -7.137 426 2HH2 ARG 50 2HH2 ARG 50 -11.728 -3.563 -5.632 427 H LEU 51 H LEU 51 -9.911 -9.283 -9.323 428 HA LEU 51 HA LEU 51 -10.207 -10.270 -12.095 429 1HB LEU 51 2HB LEU 51 -8.237 -10.595 -10.180 430 2HB LEU 51 1HB LEU 51 -9.104 -12.129 -10.107 431 HG LEU 51 HG LEU 51 -7.314 -12.263 -11.776 432 1HD1 LEU 51 1HD1 LEU 51 -9.235 -13.575 -12.325 433 2HD1 LEU 51 2HD1 LEU 51 -8.790 -12.734 -13.811 434 3HD1 LEU 51 3HD1 LEU 51 -10.144 -12.154 -12.842 435 1HD2 LEU 51 1HD2 LEU 51 -7.718 -9.632 -12.202 436 2HD2 LEU 51 2HD2 LEU 51 -8.657 -10.278 -13.548 437 3HD2 LEU 51 3HD2 LEU 51 -6.944 -10.672 -13.397 438 H LEU 52 H LEU 52 -12.572 -10.452 -11.982 439 HA LEU 52 HA LEU 52 -13.910 -12.102 -10.056 440 1HB LEU 52 2HB LEU 52 -14.959 -10.417 -11.668 441 2HB LEU 52 1HB LEU 52 -14.808 -11.659 -12.911 442 HG LEU 52 HG LEU 52 -15.940 -13.049 -10.810 443 1HD1 LEU 52 1HD1 LEU 52 -16.305 -10.967 -9.554 444 2HD1 LEU 52 2HD1 LEU 52 -17.847 -11.648 -10.073 445 3HD1 LEU 52 3HD1 LEU 52 -17.157 -10.272 -10.934 446 1HD2 LEU 52 1HD2 LEU 52 -16.816 -11.874 -13.382 447 2HD2 LEU 52 2HD2 LEU 52 -18.121 -12.298 -12.274 448 3HD2 LEU 52 3HD2 LEU 52 -16.970 -13.528 -12.791 449 H GLY 53 H GLY 53 -14.112 -14.302 -9.951 450 1HA GLY 53 2HA GLY 53 -14.417 -16.435 -11.235 451 2HA GLY 53 1HA GLY 53 -13.118 -15.882 -12.291 452 H TYR 54 H TYR 54 -11.322 -14.910 -10.348 453 HA TYR 54 HA TYR 54 -10.133 -17.408 -9.462 454 1HB TYR 54 2HB TYR 54 -8.708 -15.553 -10.170 455 2HB TYR 54 1HB TYR 54 -9.379 -14.523 -8.906 456 HD1 TYR 54 HD1 TYR 54 -7.220 -17.435 -9.609 457 HD2 TYR 54 HD2 TYR 54 -8.761 -14.814 -6.573 458 HE1 TYR 54 HE1 TYR 54 -5.540 -18.306 -8.005 459 HE2 TYR 54 HE2 TYR 54 -7.082 -15.684 -4.969 460 HH TYR 54 HH TYR 54 -4.396 -17.301 -5.816 461 H GLU 55 H GLU 55 -12.064 -14.887 -7.973 462 HA GLU 55 HA GLU 55 -13.069 -14.793 -5.855 463 1HB GLU 55 2HB GLU 55 -13.683 -17.162 -6.429 464 2HB GLU 55 1HB GLU 55 -12.204 -17.690 -5.626 465 1HG GLU 55 2HG GLU 55 -12.946 -16.888 -3.507 466 2HG GLU 55 1HG GLU 55 -14.261 -15.966 -4.235 467 H GLY 56 H GLY 56 -11.450 -13.349 -5.040 468 1HA GLY 56 2HA GLY 56 -10.227 -13.127 -2.886 469 2HA GLY 56 1HA GLY 56 -9.470 -14.683 -3.236 470 H HIS 57 H HIS 57 -9.844 -12.665 -5.971 471 HA HIS 57 HA HIS 57 -6.953 -11.917 -5.787 472 1HB HIS 57 2HB HIS 57 -8.490 -13.245 -7.862 473 2HB HIS 57 1HB HIS 57 -7.745 -11.770 -8.478 474 HD1 HIS 57 HD1 HIS 57 -6.307 -13.771 -9.799 475 HD2 HIS 57 HD2 HIS 57 -5.496 -13.151 -5.758 476 HE1 HIS 57 HE1 HIS 57 -4.040 -14.808 -9.356 477 H GLU 58 H GLU 58 -7.377 -9.860 -4.839 478 HA GLU 58 HA GLU 58 -9.062 -7.993 -6.434 479 1HB GLU 58 2HB GLU 58 -9.381 -8.201 -3.927 480 2HB GLU 58 1HB GLU 58 -7.775 -7.496 -3.737 481 1HG GLU 58 2HG GLU 58 -9.232 -5.885 -5.596 482 2HG GLU 58 1HG GLU 58 -10.250 -6.139 -4.177 483 H CYS 59 H CYS 59 -7.822 -7.139 -8.075 484 HA CYS 59 HA CYS 59 -5.028 -6.329 -7.433 485 1HB CYS 59 2HB CYS 59 -6.294 -6.267 -10.173 486 2HB CYS 59 1HB CYS 59 -4.584 -6.389 -9.756 487 HG CYS 59 HG CYS 59 -6.568 -8.741 -9.170 488 H ILE 60 H ILE 60 -4.330 -4.178 -8.198 489 HA ILE 60 HA ILE 60 -6.580 -2.222 -8.421 490 HB ILE 60 HB ILE 60 -5.067 -0.666 -7.053 491 1HG1 ILE 60 2HG1 ILE 60 -3.766 -3.347 -6.485 492 2HG1 ILE 60 1HG1 ILE 60 -2.998 -1.936 -7.210 493 1HG2 ILE 60 1HG2 ILE 60 -6.401 -3.124 -5.910 494 2HG2 ILE 60 2HG2 ILE 60 -7.032 -1.480 -5.994 495 3HG2 ILE 60 3HG2 ILE 60 -5.728 -1.867 -4.872 496 1HD1 ILE 60 1HD1 ILE 60 -4.044 -0.907 -4.872 497 2HD1 ILE 60 2HD1 ILE 60 -2.369 -1.408 -5.099 498 3HD1 ILE 60 3HD1 ILE 60 -3.534 -2.523 -4.384 499 H LEU 61 H LEU 61 -6.190 -0.554 -9.917 500 HA LEU 61 HA LEU 61 -3.724 -0.909 -11.534 501 1HB LEU 61 2HB LEU 61 -6.035 -0.860 -12.608 502 2HB LEU 61 1HB LEU 61 -6.086 0.857 -12.200 503 HG LEU 61 HG LEU 61 -3.564 0.501 -13.349 504 1HD1 LEU 61 1HD1 LEU 61 -4.527 -0.453 -15.644 505 2HD1 LEU 61 2HD1 LEU 61 -5.622 -1.308 -14.558 506 3HD1 LEU 61 3HD1 LEU 61 -3.879 -1.533 -14.410 507 1HD2 LEU 61 1HD2 LEU 61 -4.303 2.243 -14.609 508 2HD2 LEU 61 2HD2 LEU 61 -5.765 2.142 -13.630 509 3HD2 LEU 61 3HD2 LEU 61 -5.698 1.340 -15.200 510 H LEU 62 H LEU 62 -2.103 0.514 -11.401 511 HA LEU 62 HA LEU 62 -2.437 3.341 -10.990 512 1HB LEU 62 2HB LEU 62 -2.968 2.739 -8.696 513 2HB LEU 62 1HB LEU 62 -1.548 1.698 -8.600 514 HG LEU 62 HG LEU 62 -0.197 3.834 -9.178 515 1HD1 LEU 62 1HD1 LEU 62 -1.538 5.597 -9.673 516 2HD1 LEU 62 2HD1 LEU 62 -1.757 5.730 -7.928 517 3HD1 LEU 62 3HD1 LEU 62 -2.941 4.857 -8.902 518 1HD2 LEU 62 1HD2 LEU 62 -1.288 2.810 -6.691 519 2HD2 LEU 62 2HD2 LEU 62 -1.005 4.547 -6.579 520 3HD2 LEU 62 3HD2 LEU 62 0.318 3.464 -7.012 521 H ASP 63 H ASP 63 -0.369 0.489 -10.857 522 HA ASP 63 HA ASP 63 2.170 1.720 -10.881 523 1HB ASP 63 2HB ASP 63 1.053 -0.881 -11.704 524 2HB ASP 63 1HB ASP 63 2.517 -0.418 -12.570 525 H TYR 64 H TYR 64 -0.019 0.997 -13.608 526 HA TYR 64 HA TYR 64 1.725 2.748 -15.299 527 1HB TYR 64 2HB TYR 64 0.299 0.218 -15.817 528 2HB TYR 64 1HB TYR 64 0.118 1.432 -17.081 529 HD1 TYR 64 HD1 TYR 64 1.473 0.335 -18.756 530 HD2 TYR 64 HD2 TYR 64 3.064 1.180 -14.854 531 HE1 TYR 64 HE1 TYR 64 3.758 -0.184 -19.575 532 HE2 TYR 64 HE2 TYR 64 5.348 0.662 -15.674 533 HH TYR 64 HH TYR 64 5.933 -0.155 -19.089 534 H LEU 65 H LEU 65 0.047 4.153 -13.721 535 HA LEU 65 HA LEU 65 -2.582 4.525 -14.910 536 1HB LEU 65 2HB LEU 65 -2.077 5.033 -12.515 537 2HB LEU 65 1HB LEU 65 -1.051 6.367 -13.046 538 HG LEU 65 HG LEU 65 -3.491 6.693 -14.421 539 1HD1 LEU 65 1HD1 LEU 65 -4.445 5.100 -12.734 540 2HD1 LEU 65 2HD1 LEU 65 -5.157 6.711 -12.651 541 3HD1 LEU 65 3HD1 LEU 65 -3.952 6.217 -11.461 542 1HD2 LEU 65 1HD2 LEU 65 -2.899 8.180 -11.886 543 2HD2 LEU 65 2HD2 LEU 65 -3.415 8.804 -13.453 544 3HD2 LEU 65 3HD2 LEU 65 -1.745 8.291 -13.214 545 H ASN 66 H ASN 66 0.538 5.475 -15.812 546 HA ASN 66 HA ASN 66 1.344 7.162 -17.252 547 1HB ASN 66 2HB ASN 66 -1.191 6.087 -18.415 548 2HB ASN 66 1HB ASN 66 -0.484 7.515 -19.172 549 1HD2 ASN 66 1HD2 ASN 66 2.154 7.178 -19.280 550 2HD2 ASN 66 2HD2 ASN 66 2.609 5.698 -19.976 551 H TYR 67 H TYR 67 0.260 8.289 -14.955 552 HA TYR 67 HA TYR 67 -1.808 10.108 -15.081 553 1HB TYR 67 2HB TYR 67 -0.162 9.761 -13.167 554 2HB TYR 67 1HB TYR 67 0.916 10.875 -14.009 555 HD1 TYR 67 HD1 TYR 67 0.452 13.241 -14.116 556 HD2 TYR 67 HD2 TYR 67 -2.368 10.533 -12.332 557 HE1 TYR 67 HE1 TYR 67 -0.802 15.166 -13.177 558 HE2 TYR 67 HE2 TYR 67 -3.621 12.458 -11.392 559 HH TYR 67 HH TYR 67 -3.478 14.697 -10.934 560 H ARG 68 H ARG 68 -2.167 12.123 -16.009 561 HA ARG 68 HA ARG 68 -0.098 13.043 -17.966 562 1HB ARG 68 2HB ARG 68 -3.027 12.645 -18.188 563 2HB ARG 68 1HB ARG 68 -2.411 14.139 -18.895 564 1HG ARG 68 2HG ARG 68 -0.895 12.946 -20.318 565 2HG ARG 68 1HG ARG 68 -1.186 11.431 -19.463 566 1HD ARG 68 2HD ARG 68 -2.705 11.030 -21.103 567 2HD ARG 68 1HD ARG 68 -3.731 12.149 -20.204 568 HE ARG 68 HE ARG 68 -1.928 13.189 -22.342 569 1HH1 ARG 68 1HH2 ARG 68 -4.701 11.847 -22.930 570 2HH1 ARG 68 2HH2 ARG 68 -5.671 13.267 -23.138 571 1HH2 ARG 68 2HH1 ARG 68 -3.316 15.398 -21.744 572 2HH2 ARG 68 1HH1 ARG 68 -4.886 15.278 -22.465 573 H GLN 69 H GLN 69 -3.080 14.535 -16.714 574 HA GLN 69 HA GLN 69 -1.985 16.312 -14.849 575 1HB GLN 69 2HB GLN 69 -1.829 18.406 -16.286 576 2HB GLN 69 1HB GLN 69 -0.530 17.237 -16.518 577 1HG GLN 69 2HG GLN 69 -2.160 16.281 -18.376 578 2HG GLN 69 1HG GLN 69 -2.809 17.922 -18.337 579 1HE2 GLN 69 1HE2 GLN 69 -1.345 16.834 -20.607 580 2HE2 GLN 69 2HE2 GLN 69 0.086 17.734 -20.766 581 H ASP 70 H ASP 70 -4.153 16.247 -17.679 582 HA ASP 70 HA ASP 70 -6.107 18.044 -16.625 583 1HB ASP 70 2HB ASP 70 -5.858 16.246 -18.884 584 2HB ASP 70 1HB ASP 70 -7.475 16.139 -18.186 585 H THR 71 H THR 71 -8.336 17.345 -15.890 586 HA THR 71 HA THR 71 -8.118 15.594 -13.618 587 HB THR 71 HB THR 71 -10.835 16.072 -14.661 588 HG1 THR 71 HG1 THR 71 -10.163 17.974 -15.381 589 1HG2 THR 71 1HG2 THR 71 -9.518 16.967 -12.091 590 2HG2 THR 71 2HG2 THR 71 -10.147 15.337 -12.328 591 3HG2 THR 71 3HG2 THR 71 -11.238 16.721 -12.392 592 H LEU 72 H LEU 72 -9.569 13.642 -13.327 593 HA LEU 72 HA LEU 72 -9.711 12.087 -15.880 594 1HB LEU 72 2HB LEU 72 -9.238 11.006 -13.086 595 2HB LEU 72 1HB LEU 72 -9.210 10.082 -14.588 596 HG LEU 72 HG LEU 72 -7.423 12.072 -15.162 597 1HD1 LEU 72 1HD1 LEU 72 -5.942 12.273 -13.187 598 2HD1 LEU 72 2HD1 LEU 72 -7.115 11.373 -12.225 599 3HD1 LEU 72 3HD1 LEU 72 -7.535 12.960 -12.868 600 1HD2 LEU 72 1HD2 LEU 72 -7.427 9.302 -14.827 601 2HD2 LEU 72 2HD2 LEU 72 -6.144 9.856 -13.751 602 3HD2 LEU 72 3HD2 LEU 72 -6.095 10.265 -15.465 603 H ASP 73 H ASP 73 -11.605 13.636 -13.713 604 HA ASP 73 HA ASP 73 -13.573 11.801 -12.877 605 1HB ASP 73 2HB ASP 73 -13.524 14.717 -13.484 606 2HB ASP 73 1HB ASP 73 -15.110 13.950 -13.388 607 H ARG 74 H ARG 74 -13.523 13.713 -15.911 608 HA ARG 74 HA ARG 74 -15.848 12.491 -17.034 609 1HB ARG 74 2HB ARG 74 -14.428 14.589 -17.792 610 2HB ARG 74 1HB ARG 74 -13.585 13.396 -18.781 611 1HG ARG 74 2HG ARG 74 -15.726 12.689 -19.771 612 2HG ARG 74 1HG ARG 74 -16.581 13.869 -18.776 613 1HD ARG 74 2HD ARG 74 -14.539 15.332 -20.022 614 2HD ARG 74 1HD ARG 74 -15.166 14.269 -21.282 615 HE ARG 74 HE ARG 74 -17.203 15.708 -19.715 616 1HH1 ARG 74 2HH1 ARG 74 -14.919 16.839 -21.813 617 2HH1 ARG 74 1HH1 ARG 74 -16.015 17.325 -23.064 618 1HH2 ARG 74 1HH2 ARG 74 -18.761 15.765 -21.631 619 2HH2 ARG 74 2HH2 ARG 74 -18.190 16.719 -22.960 620 H LEU 75 H LEU 75 -12.437 11.562 -17.055 621 HA LEU 75 HA LEU 75 -12.475 9.573 -19.050 622 1HB LEU 75 2HB LEU 75 -10.550 10.442 -17.446 623 2HB LEU 75 1HB LEU 75 -11.019 9.037 -16.486 624 HG LEU 75 HG LEU 75 -10.934 7.980 -19.020 625 1HD1 LEU 75 1HD1 LEU 75 -9.318 8.947 -20.324 626 2HD1 LEU 75 2HD1 LEU 75 -8.367 9.472 -18.934 627 3HD1 LEU 75 3HD1 LEU 75 -9.785 10.396 -19.431 628 1HD2 LEU 75 1HD2 LEU 75 -9.788 6.621 -17.610 629 2HD2 LEU 75 2HD2 LEU 75 -9.281 7.972 -16.596 630 3HD2 LEU 75 3HD2 LEU 75 -8.370 7.570 -18.051 631 H LYS 76 H LYS 76 -13.741 9.501 -15.767 632 HA LYS 76 HA LYS 76 -14.205 6.627 -15.753 633 1HB LYS 76 2HB LYS 76 -14.922 8.939 -13.993 634 2HB LYS 76 1HB LYS 76 -15.851 7.447 -13.829 635 1HG LYS 76 2HG LYS 76 -14.180 6.689 -12.515 636 2HG LYS 76 1HG LYS 76 -13.202 6.582 -13.979 637 1HD LYS 76 2HD LYS 76 -11.927 7.916 -12.473 638 2HD LYS 76 1HD LYS 76 -12.650 9.058 -13.606 639 1HE LYS 76 2HE LYS 76 -13.907 10.030 -11.993 640 2HE LYS 76 1HE LYS 76 -14.369 8.475 -11.301 641 1HZ LYS 76 1HZ LYS 76 -12.036 8.393 -10.389 642 2HZ LYS 76 2HZ LYS 76 -13.073 9.538 -9.682 643 3HZ LYS 76 3HZ LYS 76 -11.901 10.031 -10.807 644 H GLU 77 H GLU 77 -16.141 9.507 -16.484 645 HA GLU 77 HA GLU 77 -18.696 8.367 -16.675 646 1HB GLU 77 2HB GLU 77 -17.400 10.487 -18.413 647 2HB GLU 77 1HB GLU 77 -19.123 10.109 -18.445 648 1HG GLU 77 2HG GLU 77 -18.857 10.428 -15.805 649 2HG GLU 77 1HG GLU 77 -17.516 11.452 -16.317 650 H ARG 78 H ARG 78 -15.946 7.998 -18.818 651 HA ARG 78 HA ARG 78 -17.061 7.148 -21.204 652 1HB ARG 78 2HB ARG 78 -14.750 5.928 -19.668 653 2HB ARG 78 1HB ARG 78 -15.143 5.505 -21.337 654 1HG ARG 78 2HG ARG 78 -15.005 7.990 -21.872 655 2HG ARG 78 1HG ARG 78 -14.313 8.210 -20.264 656 1HD ARG 78 2HD ARG 78 -12.300 7.662 -21.106 657 2HD ARG 78 1HD ARG 78 -12.920 6.043 -21.430 658 HE ARG 78 HE ARG 78 -12.934 8.285 -23.403 659 1HH1 ARG 78 2HH1 ARG 78 -11.456 5.434 -23.111 660 2HH1 ARG 78 1HH1 ARG 78 -12.173 4.649 -24.478 661 1HH2 ARG 78 1HH2 ARG 78 -14.607 7.077 -24.931 662 2HH2 ARG 78 2HH2 ARG 78 -13.957 5.580 -25.510 663 H LEU 79 H LEU 79 -16.495 5.022 -18.370 664 HA LEU 79 HA LEU 79 -18.941 3.716 -18.324 665 1HB LEU 79 2HB LEU 79 -17.507 3.068 -20.730 666 2HB LEU 79 1HB LEU 79 -17.630 1.621 -19.729 667 HG LEU 79 HG LEU 79 -19.963 3.420 -20.448 668 1HD1 LEU 79 1HD1 LEU 79 -20.657 1.522 -21.893 669 2HD1 LEU 79 2HD1 LEU 79 -19.137 0.706 -21.526 670 3HD1 LEU 79 3HD1 LEU 79 -19.129 2.226 -22.421 671 1HD2 LEU 79 1HD2 LEU 79 -20.847 2.373 -18.635 672 2HD2 LEU 79 2HD2 LEU 79 -19.557 1.173 -18.591 673 3HD2 LEU 79 3HD2 LEU 79 -20.928 0.954 -19.678 674 H VAL 80 H VAL 80 -17.019 4.300 -16.437 675 HA VAL 80 HA VAL 80 -15.098 2.457 -15.695 676 HB VAL 80 HB VAL 80 -17.164 3.492 -13.738 677 1HG1 VAL 80 1HG1 VAL 80 -15.191 3.541 -12.227 678 2HG1 VAL 80 2HG1 VAL 80 -14.204 2.866 -13.521 679 3HG1 VAL 80 3HG1 VAL 80 -15.518 1.917 -12.830 680 1HG2 VAL 80 1HG2 VAL 80 -15.289 4.938 -15.463 681 2HG2 VAL 80 2HG2 VAL 80 -15.029 5.271 -13.750 682 3HG2 VAL 80 3HG2 VAL 80 -16.610 5.563 -14.474 683 H GLY 81 H GLY 81 -15.244 0.593 -14.139 684 1HA GLY 81 2HA GLY 81 -16.342 -1.339 -13.269 685 2HA GLY 81 1HA GLY 81 -17.837 -0.799 -14.032 686 H ARG 82 H ARG 82 -17.062 -0.488 -16.661 687 HA ARG 82 HA ARG 82 -17.374 -2.944 -17.854 688 1HB ARG 82 2HB ARG 82 -17.099 -0.574 -18.917 689 2HB ARG 82 1HB ARG 82 -15.398 -1.020 -19.057 690 1HG ARG 82 2HG ARG 82 -15.825 -2.357 -20.816 691 2HG ARG 82 1HG ARG 82 -17.094 -3.201 -19.927 692 1HD ARG 82 2HD ARG 82 -18.384 -0.887 -20.424 693 2HD ARG 82 1HD ARG 82 -17.306 -0.916 -21.819 694 HE ARG 82 HE ARG 82 -18.442 -2.863 -22.616 695 1HH1 ARG 82 2HH1 ARG 82 -18.946 -2.721 -19.272 696 2HH1 ARG 82 1HH1 ARG 82 -20.553 -3.364 -19.322 697 1HH2 ARG 82 1HH2 ARG 82 -20.742 -3.334 -22.785 698 2HH2 ARG 82 2HH2 ARG 82 -21.571 -3.712 -21.312 699 H VAL 83 H VAL 83 -15.758 -4.324 -19.041 700 HA VAL 83 HA VAL 83 -13.428 -4.834 -17.267 701 HB VAL 83 HB VAL 83 -13.388 -7.047 -18.191 702 1HG1 VAL 83 1HG1 VAL 83 -16.056 -5.904 -17.491 703 2HG1 VAL 83 2HG1 VAL 83 -15.119 -7.153 -16.671 704 3HG1 VAL 83 3HG1 VAL 83 -16.018 -7.545 -18.138 705 1HG2 VAL 83 1HG2 VAL 83 -15.442 -6.102 -20.216 706 2HG2 VAL 83 2HG2 VAL 83 -14.696 -7.698 -20.138 707 3HG2 VAL 83 3HG2 VAL 83 -13.723 -6.290 -20.563 708 H ILE 84 H ILE 84 -11.310 -5.132 -18.215 709 HA ILE 84 HA ILE 84 -10.954 -4.381 -21.044 710 HB ILE 84 HB ILE 84 -9.596 -2.461 -20.639 711 1HG1 ILE 84 2HG1 ILE 84 -8.348 -3.263 -18.708 712 2HG1 ILE 84 1HG1 ILE 84 -9.084 -1.714 -18.300 713 1HG2 ILE 84 1HG2 ILE 84 -11.994 -1.994 -20.511 714 2HG2 ILE 84 2HG2 ILE 84 -11.128 -0.967 -19.368 715 3HG2 ILE 84 3HG2 ILE 84 -12.003 -2.386 -18.792 716 1HD1 ILE 84 1HD1 ILE 84 -11.071 -3.273 -17.463 717 2HD1 ILE 84 2HD1 ILE 84 -9.681 -2.939 -16.430 718 3HD1 ILE 84 3HD1 ILE 84 -9.771 -4.456 -17.325 719 H LYS 85 H LYS 85 -8.450 -4.344 -21.491 720 HA LYS 85 HA LYS 85 -7.335 -6.750 -20.146 721 1HB LYS 85 2HB LYS 85 -6.869 -5.409 -22.798 722 2HB LYS 85 1HB LYS 85 -5.629 -6.467 -22.123 723 1HG LYS 85 2HG LYS 85 -7.088 -8.344 -22.107 724 2HG LYS 85 1HG LYS 85 -8.514 -7.335 -22.356 725 1HD LYS 85 2HD LYS 85 -8.270 -7.858 -24.550 726 2HD LYS 85 1HD LYS 85 -6.954 -6.684 -24.531 727 1HE LYS 85 2HE LYS 85 -5.557 -8.752 -23.644 728 2HE LYS 85 1HE LYS 85 -6.827 -9.675 -24.448 729 1HZ LYS 85 1HZ LYS 85 -5.280 -7.502 -25.747 730 2HZ LYS 85 2HZ LYS 85 -6.372 -8.570 -26.492 731 3HZ LYS 85 3HZ LYS 85 -4.894 -9.148 -25.883 732 H THR 86 H THR 86 -5.433 -6.638 -18.974 733 HA THR 86 HA THR 86 -3.797 -4.179 -19.095 734 HB THR 86 HB THR 86 -3.880 -3.965 -16.585 735 HG1 THR 86 HG1 THR 86 -4.942 -6.225 -16.624 736 1HG2 THR 86 1HG2 THR 86 -6.250 -3.002 -16.577 737 2HG2 THR 86 2HG2 THR 86 -6.381 -3.585 -18.236 738 3HG2 THR 86 3HG2 THR 86 -5.162 -2.382 -17.817 739 H ARG 87 H ARG 87 -1.855 -4.496 -17.485 740 HA ARG 87 HA ARG 87 -0.950 -7.322 -17.802 741 1HB ARG 87 2HB ARG 87 0.914 -5.100 -17.047 742 2HB ARG 87 1HB ARG 87 1.222 -6.533 -18.028 743 1HG ARG 87 2HG ARG 87 -0.495 -4.181 -18.880 744 2HG ARG 87 1HG ARG 87 1.165 -4.467 -19.407 745 1HD ARG 87 2HD ARG 87 -1.239 -6.238 -19.924 746 2HD ARG 87 1HD ARG 87 -0.316 -5.325 -21.118 747 HE ARG 87 HE ARG 87 0.634 -7.772 -19.716 748 1HH1 ARG 87 2HH1 ARG 87 0.317 -6.221 -22.652 749 2HH1 ARG 87 1HH1 ARG 87 1.917 -6.564 -23.218 750 1HH2 ARG 87 1HH2 ARG 87 3.014 -7.808 -20.172 751 2HH2 ARG 87 2HH2 ARG 87 3.445 -7.463 -21.815 752 H VAL 88 H VAL 88 0.281 -8.265 -15.990 753 HA VAL 88 HA VAL 88 -0.830 -7.352 -13.389 754 HB VAL 88 HB VAL 88 0.545 -9.912 -14.249 755 1HG1 VAL 88 1HG1 VAL 88 0.465 -8.736 -11.662 756 2HG1 VAL 88 2HG1 VAL 88 0.997 -10.361 -12.091 757 3HG1 VAL 88 3HG1 VAL 88 -0.688 -10.070 -11.659 758 1HG2 VAL 88 1HG2 VAL 88 -1.784 -9.704 -14.965 759 2HG2 VAL 88 2HG2 VAL 88 -2.272 -9.250 -13.333 760 3HG2 VAL 88 3HG2 VAL 88 -1.679 -10.880 -13.655 761 H VAL 89 H VAL 89 0.451 -6.403 -11.869 762 HA VAL 89 HA VAL 89 3.285 -5.987 -12.568 763 HB VAL 89 HB VAL 89 1.672 -4.822 -10.284 764 1HG1 VAL 89 1HG1 VAL 89 4.355 -4.098 -11.501 765 2HG1 VAL 89 2HG1 VAL 89 4.077 -4.738 -9.882 766 3HG1 VAL 89 3HG1 VAL 89 3.506 -3.123 -10.300 767 1HG2 VAL 89 1HG2 VAL 89 1.051 -4.358 -12.817 768 2HG2 VAL 89 2HG2 VAL 89 2.472 -3.315 -12.753 769 3HG2 VAL 89 3HG2 VAL 89 1.117 -3.028 -11.662 770 H ARG 90 H ARG 90 1.322 -7.632 -10.149 771 HA ARG 90 HA ARG 90 3.174 -9.559 -9.423 772 1HB ARG 90 2HB ARG 90 3.948 -6.951 -8.418 773 2HB ARG 90 1HB ARG 90 3.652 -8.068 -7.085 774 1HG ARG 90 2HG ARG 90 5.040 -9.685 -8.774 775 2HG ARG 90 1HG ARG 90 5.767 -8.124 -9.158 776 1HD ARG 90 2HD ARG 90 5.560 -8.144 -6.363 777 2HD ARG 90 1HD ARG 90 6.105 -9.767 -6.785 778 HE ARG 90 HE ARG 90 7.717 -8.074 -8.298 779 1HH1 ARG 90 2HH1 ARG 90 6.741 -7.219 -5.217 780 2HH1 ARG 90 1HH1 ARG 90 8.327 -7.206 -4.521 781 1HH2 ARG 90 1HH2 ARG 90 9.850 -8.600 -7.306 782 2HH2 ARG 90 2HH2 ARG 90 10.087 -7.988 -5.703 783 H ALA 91 H ALA 91 1.520 -10.882 -8.789 784 HA ALA 91 HA ALA 91 -0.641 -9.866 -7.073 785 1HB ALA 91 1HB ALA 91 -1.052 -11.517 -8.919 786 2HB ALA 91 2HB ALA 91 -1.626 -12.070 -7.345 787 3HB ALA 91 3HB ALA 91 -0.118 -12.703 -8.006 788 H ASP 92 H ASP 92 -0.363 -9.770 -4.904 789 HA ASP 92 HA ASP 92 1.521 -11.720 -3.645 790 1HB ASP 92 2HB ASP 92 2.061 -9.275 -3.409 791 2HB ASP 92 1HB ASP 92 0.547 -9.075 -2.526 792 H GLY 93 H GLY 93 -1.376 -12.142 -4.306 793 1HA GLY 93 2HA GLY 93 -2.706 -13.712 -2.932 794 2HA GLY 93 1HA GLY 93 -2.280 -12.743 -1.521 795 H LEU 94 H LEU 94 -4.455 -12.293 -0.961 796 HA LEU 94 HA LEU 94 -6.567 -11.496 -2.570 797 1HB LEU 94 2HB LEU 94 -5.731 -10.550 0.174 798 2HB LEU 94 1HB LEU 94 -7.216 -9.980 -0.587 799 HG LEU 94 HG LEU 94 -7.057 -12.835 -0.871 800 1HD1 LEU 94 1HD1 LEU 94 -5.869 -11.881 1.539 801 2HD1 LEU 94 2HD1 LEU 94 -6.250 -13.547 1.103 802 3HD1 LEU 94 3HD1 LEU 94 -7.440 -12.565 1.955 803 1HD2 LEU 94 1HD2 LEU 94 -8.952 -10.847 -0.426 804 2HD2 LEU 94 2HD2 LEU 94 -8.975 -11.776 1.072 805 3HD2 LEU 94 3HD2 LEU 94 -9.273 -12.580 -0.469 806 H TYR 95 H TYR 95 -3.726 -9.623 -1.683 807 HA TYR 95 HA TYR 95 -4.831 -7.274 -3.150 808 1HB TYR 95 2HB TYR 95 -2.782 -7.644 -1.016 809 2HB TYR 95 1HB TYR 95 -2.503 -6.346 -2.178 810 HD1 TYR 95 HD1 TYR 95 -4.177 -4.527 -2.462 811 HD2 TYR 95 HD2 TYR 95 -4.581 -7.532 0.585 812 HE1 TYR 95 HE1 TYR 95 -5.854 -3.119 -1.295 813 HE2 TYR 95 HE2 TYR 95 -6.256 -6.122 1.752 814 HH TYR 95 HH TYR 95 -7.605 -3.277 0.289 815 H VAL 96 H VAL 96 -3.955 -6.672 -5.100 816 HA VAL 96 HA VAL 96 -1.376 -7.894 -5.941 817 HB VAL 96 HB VAL 96 -3.918 -7.978 -7.596 818 1HG1 VAL 96 1HG1 VAL 96 -2.029 -9.701 -8.679 819 2HG1 VAL 96 2HG1 VAL 96 -1.074 -8.294 -8.209 820 3HG1 VAL 96 3HG1 VAL 96 -2.443 -8.104 -9.305 821 1HG2 VAL 96 1HG2 VAL 96 -4.173 -9.666 -5.965 822 2HG2 VAL 96 2HG2 VAL 96 -2.449 -10.038 -5.952 823 3HG2 VAL 96 3HG2 VAL 96 -3.444 -10.516 -7.327 824 H ASP 97 H ASP 97 -0.320 -6.686 -7.632 825 HA ASP 97 HA ASP 97 -1.285 -3.875 -7.800 826 1HB ASP 97 2HB ASP 97 1.389 -5.166 -8.423 827 2HB ASP 97 1HB ASP 97 1.029 -3.470 -8.752 828 H LEU 98 H LEU 98 -1.511 -2.857 -9.878 829 HA LEU 98 HA LEU 98 -1.463 -4.714 -12.208 830 1HB LEU 98 2HB LEU 98 -3.798 -3.786 -10.909 831 2HB LEU 98 1HB LEU 98 -3.680 -2.888 -12.421 832 HG LEU 98 HG LEU 98 -4.912 -5.094 -12.596 833 1HD1 LEU 98 1HD1 LEU 98 -4.216 -4.359 -14.680 834 2HD1 LEU 98 2HD1 LEU 98 -3.284 -5.851 -14.565 835 3HD1 LEU 98 3HD1 LEU 98 -2.518 -4.305 -14.208 836 1HD2 LEU 98 1HD2 LEU 98 -2.232 -6.433 -12.562 837 2HD2 LEU 98 2HD2 LEU 98 -3.825 -7.115 -12.241 838 3HD2 LEU 98 3HD2 LEU 98 -3.028 -6.124 -11.020 839 H ARG 99 H ARG 99 -0.733 -3.799 -14.066 840 HA ARG 99 HA ARG 99 -0.358 -0.832 -14.078 841 1HB ARG 99 2HB ARG 99 1.713 -1.259 -15.431 842 2HB ARG 99 1HB ARG 99 1.818 -1.885 -13.786 843 1HG ARG 99 2HG ARG 99 0.975 -4.110 -14.752 844 2HG ARG 99 1HG ARG 99 1.335 -3.426 -16.337 845 1HD ARG 99 2HD ARG 99 3.591 -2.900 -14.710 846 2HD ARG 99 1HD ARG 99 3.152 -4.583 -14.425 847 HE ARG 99 HE ARG 99 3.058 -4.316 -17.188 848 1HH1 ARG 99 2HH1 ARG 99 5.250 -2.259 -16.206 849 2HH1 ARG 99 1HH1 ARG 99 6.670 -3.195 -16.532 850 1HH2 ARG 99 1HH2 ARG 99 4.936 -6.166 -16.966 851 2HH2 ARG 99 2HH2 ARG 99 6.493 -5.407 -16.962 852 H ARG 100 H ARG 100 -1.713 -0.025 -15.602 853 HA ARG 100 HA ARG 100 -3.132 -1.417 -17.548 854 1HB ARG 100 2HB ARG 100 -3.638 0.907 -17.105 855 2HB ARG 100 1HB ARG 100 -2.042 1.409 -17.664 856 1HG ARG 100 2HG ARG 100 -2.548 0.679 -19.928 857 2HG ARG 100 1HG ARG 100 -4.096 0.015 -19.403 858 1HD ARG 100 2HD ARG 100 -3.677 2.846 -18.686 859 2HD ARG 100 1HD ARG 100 -3.770 2.536 -20.419 860 HE ARG 100 HE ARG 100 -5.910 1.121 -19.300 861 1HH1 ARG 100 1HH2 ARG 100 -6.079 3.481 -21.239 862 2HH1 ARG 100 2HH2 ARG 100 -7.068 4.579 -20.335 863 1HH2 ARG 100 2HH1 ARG 100 -6.623 2.916 -17.325 864 2HH2 ARG 100 1HH1 ARG 100 -7.377 4.259 -18.118 865 H PHE 101 H PHE 101 -2.792 -1.564 -19.910 866 HA PHE 101 HA PHE 101 0.013 -2.272 -20.503 867 1HB PHE 101 2HB PHE 101 -1.678 -3.872 -21.189 868 2HB PHE 101 1HB PHE 101 -2.560 -2.623 -22.068 869 HD1 PHE 101 HD1 PHE 101 1.135 -3.040 -21.941 870 HD2 PHE 101 HD2 PHE 101 -2.434 -3.472 -24.295 871 HE1 PHE 101 HE1 PHE 101 2.517 -3.475 -23.956 872 HE2 PHE 101 HE2 PHE 101 -1.053 -3.907 -26.310 873 HZ PHE 101 HZ PHE 101 1.422 -3.908 -26.140 874 H PHE 102 HN PHE 102 1.302 -0.666 -21.263 875 HA PHE 102 HA PHE 102 0.689 0.799 -23.639 876 1HB PHE 102 2HB PHE 102 -0.476 1.893 -21.295 877 2HB PHE 102 1HB PHE 102 0.890 2.929 -21.710 878 HD1 PHE 102 HD1 PHE 102 -2.252 3.392 -21.936 879 HD2 PHE 102 HD2 PHE 102 0.850 2.362 -24.727 880 HE1 PHE 102 HE1 PHE 102 -3.574 4.400 -23.777 881 HE2 PHE 102 HE2 PHE 102 -0.473 3.370 -26.568 882 HZ PHE 102 HZ PHE 102 -2.684 4.389 -26.094 Start of MODEL 12 1 1H MET 1 1H MET 1 -27.886 -43.226 4.575 2 2H MET 1 2H MET 1 -26.584 -44.297 4.370 3 3H MET 1 3H MET 1 -26.451 -42.684 3.854 4 HA MET 1 HA MET 1 -26.967 -43.328 6.687 5 1HB MET 1 2HB MET 1 -24.640 -44.061 5.208 6 2HB MET 1 1HB MET 1 -24.212 -42.683 6.224 7 1HG MET 1 2HG MET 1 -23.924 -44.290 7.821 8 2HG MET 1 1HG MET 1 -25.674 -44.142 7.988 9 1HE MET 1 1HE MET 1 -23.577 -47.489 8.089 10 2HE MET 1 2HE MET 1 -25.217 -47.535 8.729 11 3HE MET 1 3HE MET 1 -24.203 -46.126 9.029 12 H THR 2 H THR 2 -25.012 -41.479 7.557 13 HA THR 2 HA THR 2 -25.940 -38.931 6.298 14 HB THR 2 HB THR 2 -25.397 -39.139 9.251 15 HG1 THR 2 HG1 THR 2 -27.945 -39.483 8.084 16 1HG2 THR 2 1HG2 THR 2 -25.933 -36.964 9.097 17 2HG2 THR 2 2HG2 THR 2 -27.553 -37.433 8.583 18 3HG2 THR 2 3HG2 THR 2 -26.297 -37.144 7.380 19 H VAL 3 H VAL 3 -23.369 -40.751 6.443 20 HA VAL 3 HA VAL 3 -21.521 -38.461 6.977 21 HB VAL 3 HB VAL 3 -20.980 -41.402 7.490 22 1HG1 VAL 3 1HG1 VAL 3 -19.050 -40.010 8.798 23 2HG1 VAL 3 2HG1 VAL 3 -19.312 -38.952 7.412 24 3HG1 VAL 3 3HG1 VAL 3 -18.852 -40.636 7.162 25 1HG2 VAL 3 1HG2 VAL 3 -20.966 -40.713 9.875 26 2HG2 VAL 3 2HG2 VAL 3 -22.543 -40.442 9.132 27 3HG2 VAL 3 3HG2 VAL 3 -21.448 -39.085 9.396 28 H ILE 4 H ILE 4 -20.824 -37.823 4.990 29 HA ILE 4 HA ILE 4 -20.319 -39.923 2.931 30 HB ILE 4 HB ILE 4 -20.330 -36.947 2.430 31 1HG1 ILE 4 2HG1 ILE 4 -22.819 -37.994 1.648 32 2HG1 ILE 4 1HG1 ILE 4 -22.554 -38.615 3.277 33 1HG2 ILE 4 1HG2 ILE 4 -19.586 -38.035 0.511 34 2HG2 ILE 4 2HG2 ILE 4 -21.326 -38.009 0.224 35 3HG2 ILE 4 3HG2 ILE 4 -20.553 -39.475 0.829 36 1HD1 ILE 4 1HD1 ILE 4 -21.728 -36.020 3.554 37 2HD1 ILE 4 2HD1 ILE 4 -23.352 -36.590 3.939 38 3HD1 ILE 4 3HD1 ILE 4 -23.026 -35.844 2.373 39 H LYS 5 H LYS 5 -18.223 -40.556 2.841 40 HA LYS 5 HA LYS 5 -16.121 -38.453 3.058 41 1HB LYS 5 2HB LYS 5 -16.586 -40.164 5.121 42 2HB LYS 5 1HB LYS 5 -15.435 -41.109 4.176 43 1HG LYS 5 2HG LYS 5 -14.001 -39.846 5.515 44 2HG LYS 5 1HG LYS 5 -14.099 -38.846 4.066 45 1HD LYS 5 2HD LYS 5 -16.283 -38.000 5.540 46 2HD LYS 5 1HD LYS 5 -15.062 -38.292 6.780 47 1HE LYS 5 2HE LYS 5 -13.730 -36.586 6.058 48 2HE LYS 5 1HE LYS 5 -14.093 -36.890 4.359 49 1HZ LYS 5 1HZ LYS 5 -15.815 -35.495 6.331 50 2HZ LYS 5 2HZ LYS 5 -16.321 -35.927 4.768 51 3HZ LYS 5 3HZ LYS 5 -15.054 -34.814 4.978 52 HA PRO 6 HA PRO 6 -15.332 -40.871 -0.693 53 1HB PRO 6 2HB PRO 6 -14.141 -38.772 -2.016 54 2HB PRO 6 1HB PRO 6 -15.893 -39.040 -1.978 55 1HG PRO 6 2HG PRO 6 -14.270 -37.013 -0.509 56 2HG PRO 6 1HG PRO 6 -15.967 -36.942 -1.011 57 1HD PRO 6 2HD PRO 6 -15.042 -37.502 1.601 58 2HD PRO 6 1HD PRO 6 -16.693 -37.770 1.001 59 H SER 7 H SER 7 -13.402 -41.934 -1.214 60 HA SER 7 HA SER 7 -11.119 -42.495 -1.129 61 1HB SER 7 2HB SER 7 -10.888 -40.003 -1.730 62 2HB SER 7 1HB SER 7 -10.611 -39.731 -0.012 63 HG SER 7 HG SER 7 -8.883 -40.537 -1.838 64 H SER 8 H SER 8 -9.663 -43.281 0.505 65 HA SER 8 HA SER 8 -10.669 -42.870 3.295 66 1HB SER 8 2HB SER 8 -9.293 -45.346 2.225 67 2HB SER 8 1HB SER 8 -10.078 -45.154 3.790 68 HG SER 8 HG SER 8 -11.279 -46.193 1.948 69 H ARG 9 H ARG 9 -9.004 -43.009 4.979 70 HA ARG 9 HA ARG 9 -6.195 -42.791 4.088 71 1HB ARG 9 2HB ARG 9 -5.948 -40.666 5.475 72 2HB ARG 9 1HB ARG 9 -6.822 -40.479 3.955 73 1HG ARG 9 2HG ARG 9 -8.956 -40.565 5.101 74 2HG ARG 9 1HG ARG 9 -8.165 -40.953 6.630 75 1HD ARG 9 2HD ARG 9 -6.852 -38.701 6.142 76 2HD ARG 9 1HD ARG 9 -8.271 -38.345 5.159 77 HE ARG 9 HE ARG 9 -9.522 -38.103 7.149 78 1HH1 ARG 9 1HH2 ARG 9 -6.337 -38.211 7.987 79 2HH1 ARG 9 2HH2 ARG 9 -6.564 -38.861 9.577 80 1HH2 ARG 9 2HH1 ARG 9 -9.915 -39.602 9.081 81 2HH2 ARG 9 1HH1 ARG 9 -8.589 -39.653 10.194 82 HA PRO 10 HA PRO 10 -6.879 -44.909 8.140 83 1HB PRO 10 2HB PRO 10 -5.677 -47.266 7.388 84 2HB PRO 10 1HB PRO 10 -7.404 -46.933 7.170 85 1HG PRO 10 2HG PRO 10 -5.230 -46.972 5.129 86 2HG PRO 10 1HG PRO 10 -6.962 -47.282 4.929 87 1HD PRO 10 2HD PRO 10 -5.623 -44.883 4.252 88 2HD PRO 10 1HD PRO 10 -7.383 -45.093 4.386 89 H ARG 11 H ARG 11 -4.023 -46.147 6.407 90 HA ARG 11 HA ARG 11 -2.273 -44.520 8.183 91 1HB ARG 11 2HB ARG 11 -2.455 -47.505 8.034 92 2HB ARG 11 1HB ARG 11 -0.867 -46.773 8.273 93 1HG ARG 11 2HG ARG 11 -2.179 -45.351 10.095 94 2HG ARG 11 1HG ARG 11 -3.257 -46.747 10.072 95 1HD ARG 11 2HD ARG 11 -1.807 -47.845 11.396 96 2HD ARG 11 1HD ARG 11 -0.616 -47.774 10.097 97 HE ARG 11 HE ARG 11 -0.219 -45.356 11.172 98 1HH1 ARG 11 1HH2 ARG 11 0.138 -48.522 12.279 99 2HH1 ARG 11 2HH2 ARG 11 0.567 -48.087 13.900 100 1HH2 ARG 11 2HH1 ARG 11 -0.093 -44.713 13.453 101 2HH2 ARG 11 1HH1 ARG 11 0.438 -45.931 14.563 102 HA PRO 12 HA PRO 12 0.142 -44.109 4.541 103 1HB PRO 12 2HB PRO 12 2.597 -43.628 5.686 104 2HB PRO 12 1HB PRO 12 1.285 -42.436 5.640 105 1HG PRO 12 2HG PRO 12 2.267 -44.059 7.941 106 2HG PRO 12 1HG PRO 12 1.450 -42.488 7.944 107 1HD PRO 12 2HD PRO 12 0.249 -44.986 8.527 108 2HD PRO 12 1HD PRO 12 -0.608 -43.463 8.208 109 H ARG 13 H ARG 13 1.986 -45.101 3.353 110 HA ARG 13 HA ARG 13 2.856 -47.723 4.492 111 1HB ARG 13 2HB ARG 13 1.175 -47.261 2.200 112 2HB ARG 13 1HB ARG 13 2.700 -47.972 1.668 113 1HG ARG 13 2HG ARG 13 1.338 -49.126 4.076 114 2HG ARG 13 1HG ARG 13 0.713 -49.524 2.475 115 1HD ARG 13 2HD ARG 13 2.292 -51.212 2.780 116 2HD ARG 13 1HD ARG 13 3.244 -49.999 1.924 117 HE ARG 13 HE ARG 13 4.206 -49.344 4.118 118 1HH1 ARG 13 2HH1 ARG 13 3.846 -52.536 3.416 119 2HH1 ARG 13 1HH1 ARG 13 3.889 -53.116 5.046 120 1HH2 ARG 13 1HH2 ARG 13 3.626 -49.960 6.458 121 2HH2 ARG 13 2HH2 ARG 13 3.764 -51.658 6.769 122 H LYS 14 H LYS 14 4.628 -45.872 4.887 123 HA LYS 14 HA LYS 14 6.814 -45.173 4.400 124 1HB LYS 14 2HB LYS 14 6.451 -47.685 2.849 125 2HB LYS 14 1HB LYS 14 7.800 -46.655 2.367 126 1HG LYS 14 2HG LYS 14 8.158 -46.567 5.026 127 2HG LYS 14 1HG LYS 14 7.367 -48.140 4.916 128 1HD LYS 14 2HD LYS 14 9.175 -49.103 3.951 129 2HD LYS 14 1HD LYS 14 9.424 -47.737 2.863 130 1HE LYS 14 2HE LYS 14 11.175 -47.117 4.132 131 2HE LYS 14 1HE LYS 14 10.045 -46.784 5.446 132 1HZ LYS 14 1HZ LYS 14 11.456 -49.331 4.884 133 2HZ LYS 14 2HZ LYS 14 10.189 -49.192 6.007 134 3HZ LYS 14 3HZ LYS 14 11.635 -48.330 6.242 135 H ASN 15 H ASN 15 6.229 -43.118 3.574 136 HA ASN 15 HA ASN 15 5.129 -42.472 1.098 137 1HB ASN 15 2HB ASN 15 6.178 -41.012 3.128 138 2HB ASN 15 1HB ASN 15 7.436 -40.793 1.910 139 1HD2 ASN 15 1HD2 ASN 15 5.180 -38.933 2.961 140 2HD2 ASN 15 2HD2 ASN 15 4.436 -38.373 1.541 141 H LYS 16 H LYS 16 5.906 -42.313 -1.011 142 HA LYS 16 HA LYS 16 7.932 -44.030 -1.910 143 1HB LYS 16 2HB LYS 16 7.069 -41.422 -3.202 144 2HB LYS 16 1HB LYS 16 7.880 -42.762 -4.014 145 1HG LYS 16 2HG LYS 16 5.277 -43.176 -2.547 146 2HG LYS 16 1HG LYS 16 5.305 -42.625 -4.223 147 1HD LYS 16 2HD LYS 16 6.006 -44.646 -5.015 148 2HD LYS 16 1HD LYS 16 7.048 -44.941 -3.624 149 1HE LYS 16 2HE LYS 16 4.919 -45.314 -2.270 150 2HE LYS 16 1HE LYS 16 4.055 -45.331 -3.807 151 1HZ LYS 16 1HZ LYS 16 4.581 -47.557 -3.314 152 2HZ LYS 16 2HZ LYS 16 6.184 -47.179 -2.894 153 3HZ LYS 16 3HZ LYS 16 5.683 -47.088 -4.515 154 H ASN 17 H ASN 17 10.151 -43.823 -2.202 155 HA ASN 17 HA ASN 17 11.684 -42.184 -0.546 156 1HB ASN 17 2HB ASN 17 12.391 -44.163 -2.098 157 2HB ASN 17 1HB ASN 17 12.688 -42.900 -3.293 158 1HD2 ASN 17 1HD2 ASN 17 13.803 -44.258 -0.236 159 2HD2 ASN 17 2HD2 ASN 17 15.211 -43.318 -0.119 160 H ILE 18 H ILE 18 11.579 -39.992 -0.454 161 HA ILE 18 HA ILE 18 10.825 -38.370 -2.740 162 HB ILE 18 HB ILE 18 10.340 -37.736 -0.370 163 1HG1 ILE 18 2HG1 ILE 18 12.085 -35.803 -1.934 164 2HG1 ILE 18 1HG1 ILE 18 10.345 -36.021 -2.132 165 1HG2 ILE 18 1HG2 ILE 18 12.092 -36.972 1.077 166 2HG2 ILE 18 2HG2 ILE 18 13.283 -37.038 -0.223 167 3HG2 ILE 18 3HG2 ILE 18 12.622 -38.530 0.445 168 1HD1 ILE 18 1HD1 ILE 18 11.601 -35.237 0.507 169 2HD1 ILE 18 2HD1 ILE 18 9.895 -35.172 0.059 170 3HD1 ILE 18 3HD1 ILE 18 11.042 -34.051 -0.673 171 H LYS 19 H LYS 19 13.811 -39.618 -1.533 172 HA LYS 19 HA LYS 19 15.410 -37.599 -2.992 173 1HB LYS 19 2HB LYS 19 15.955 -38.790 -0.676 174 2HB LYS 19 1HB LYS 19 16.631 -40.027 -1.738 175 1HG LYS 19 2HG LYS 19 17.421 -37.402 -2.652 176 2HG LYS 19 1HG LYS 19 17.855 -37.608 -0.955 177 1HD LYS 19 2HD LYS 19 18.583 -40.035 -1.974 178 2HD LYS 19 1HD LYS 19 18.912 -38.979 -3.349 179 1HE LYS 19 2HE LYS 19 19.827 -37.692 -0.950 180 2HE LYS 19 1HE LYS 19 20.490 -39.324 -1.012 181 1HZ LYS 19 1HZ LYS 19 21.901 -37.735 -2.172 182 2HZ LYS 19 2HZ LYS 19 20.617 -37.328 -3.208 183 3HZ LYS 19 3HZ LYS 19 21.280 -38.892 -3.246 184 H VAL 20 H VAL 20 16.847 -38.215 -4.723 185 HA VAL 20 HA VAL 20 17.517 -39.465 -6.600 186 HB VAL 20 HB VAL 20 16.007 -41.812 -5.443 187 1HG1 VAL 20 1HG1 VAL 20 18.371 -42.696 -6.521 188 2HG1 VAL 20 2HG1 VAL 20 17.994 -41.329 -7.569 189 3HG1 VAL 20 3HG1 VAL 20 16.836 -42.647 -7.389 190 1HG2 VAL 20 1HG2 VAL 20 18.666 -40.627 -4.635 191 2HG2 VAL 20 2HG2 VAL 20 18.325 -42.344 -4.418 192 3HG2 VAL 20 3HG2 VAL 20 17.333 -41.137 -3.599 193 H ASN 21 H ASN 21 14.521 -38.486 -5.860 194 HA ASN 21 HA ASN 21 13.485 -39.299 -8.530 195 1HB ASN 21 2HB ASN 21 12.333 -39.950 -5.890 196 2HB ASN 21 1HB ASN 21 11.189 -39.256 -7.039 197 1HD2 ASN 21 1HD2 ASN 21 12.371 -42.192 -6.030 198 2HD2 ASN 21 2HD2 ASN 21 12.151 -43.090 -7.454 199 H THR 22 H THR 22 13.289 -37.361 -9.555 200 HA THR 22 HA THR 22 12.934 -34.858 -8.168 201 HB THR 22 HB THR 22 12.592 -33.915 -10.435 202 HG1 THR 22 HG1 THR 22 11.703 -36.321 -10.943 203 1HG2 THR 22 1HG2 THR 22 14.770 -36.008 -10.540 204 2HG2 THR 22 2HG2 THR 22 14.881 -34.579 -9.510 205 3HG2 THR 22 3HG2 THR 22 14.774 -34.398 -11.261 206 H TYR 23 H TYR 23 11.054 -33.843 -7.575 207 HA TYR 23 HA TYR 23 8.515 -35.267 -8.174 208 1HB TYR 23 2HB TYR 23 9.491 -34.236 -5.821 209 2HB TYR 23 1HB TYR 23 8.422 -32.944 -6.365 210 HD1 TYR 23 HD1 TYR 23 6.141 -33.093 -5.893 211 HD2 TYR 23 HD2 TYR 23 8.498 -36.685 -6.035 212 HE1 TYR 23 HE1 TYR 23 4.169 -34.416 -5.176 213 HE2 TYR 23 HE2 TYR 23 6.525 -38.008 -5.317 214 HH TYR 23 HH TYR 23 3.403 -36.421 -4.620 215 H ARG 24 H ARG 24 10.075 -32.103 -8.510 216 HA ARG 24 HA ARG 24 9.484 -30.254 -9.831 217 1HB ARG 24 2HB ARG 24 8.623 -32.643 -11.281 218 2HB ARG 24 1HB ARG 24 7.636 -31.235 -11.672 219 1HG ARG 24 2HG ARG 24 10.136 -30.136 -11.692 220 2HG ARG 24 1HG ARG 24 10.479 -31.765 -12.272 221 1HD ARG 24 2HD ARG 24 9.052 -31.540 -14.131 222 2HD ARG 24 1HD ARG 24 8.188 -30.178 -13.417 223 HE ARG 24 HE ARG 24 10.174 -28.780 -13.881 224 1HH1 ARG 24 2HH1 ARG 24 11.815 -31.467 -14.205 225 2HH1 ARG 24 1HH1 ARG 24 12.207 -31.346 -15.888 226 1HH2 ARG 24 1HH2 ARG 24 9.921 -28.815 -16.511 227 2HH2 ARG 24 2HH2 ARG 24 11.134 -29.846 -17.193 228 H THR 25 H THR 25 7.591 -28.835 -10.365 229 HA THR 25 HA THR 25 5.177 -29.540 -8.746 230 HB THR 25 HB THR 25 5.452 -26.731 -8.707 231 HG1 THR 25 HG1 THR 25 7.520 -26.468 -8.793 232 1HG2 THR 25 1HG2 THR 25 6.378 -27.896 -6.264 233 2HG2 THR 25 2HG2 THR 25 5.110 -28.928 -6.925 234 3HG2 THR 25 3HG2 THR 25 4.788 -27.222 -6.619 235 H SER 26 H SER 26 6.499 -27.468 -11.329 236 HA SER 26 HA SER 26 5.478 -26.632 -13.269 237 1HB SER 26 2HB SER 26 3.148 -28.388 -13.241 238 2HB SER 26 1HB SER 26 4.447 -28.275 -14.426 239 HG SER 26 HG SER 26 4.167 -30.282 -13.038 240 H ALA 27 H ALA 27 4.923 -25.022 -11.246 241 HA ALA 27 HA ALA 27 1.954 -24.667 -11.242 242 1HB ALA 27 1HB ALA 27 2.212 -24.463 -9.012 243 2HB ALA 27 2HB ALA 27 3.073 -22.955 -9.317 244 3HB ALA 27 3HB ALA 27 3.969 -24.465 -9.162 245 H MET 28 H MET 28 3.156 -23.812 -13.530 246 HA MET 28 HA MET 28 3.926 -20.986 -13.268 247 1HB MET 28 2HB MET 28 4.714 -22.798 -15.042 248 2HB MET 28 1HB MET 28 3.275 -22.252 -15.905 249 1HG MET 28 2HG MET 28 5.105 -20.884 -16.660 250 2HG MET 28 1HG MET 28 4.115 -19.881 -15.599 251 1HE MET 28 1HE MET 28 8.437 -20.845 -15.346 252 2HE MET 28 2HE MET 28 7.526 -19.843 -16.473 253 3HE MET 28 3HE MET 28 7.238 -21.581 -16.418 254 H ASP 29 H ASP 29 2.209 -19.680 -12.713 255 HA ASP 29 HA ASP 29 0.174 -19.089 -14.618 256 1HB ASP 29 2HB ASP 29 -1.801 -19.967 -13.326 257 2HB ASP 29 1HB ASP 29 -0.806 -21.231 -14.049 258 H LEU 30 H LEU 30 2.010 -17.725 -12.824 259 HA LEU 30 HA LEU 30 0.259 -15.670 -11.845 260 1HB LEU 30 2HB LEU 30 -0.075 -17.518 -10.115 261 2HB LEU 30 1HB LEU 30 1.607 -17.259 -9.651 262 HG LEU 30 HG LEU 30 0.620 -14.689 -9.710 263 1HD1 LEU 30 1HD1 LEU 30 -1.464 -16.071 -8.113 264 2HD1 LEU 30 2HD1 LEU 30 -1.661 -16.155 -9.864 265 3HD1 LEU 30 3HD1 LEU 30 -1.571 -14.587 -9.063 266 1HD2 LEU 30 1HD2 LEU 30 1.497 -14.784 -7.632 267 2HD2 LEU 30 2HD2 LEU 30 1.688 -16.522 -7.855 268 3HD2 LEU 30 3HD2 LEU 30 0.228 -15.886 -7.097 269 H SER 31 H SER 31 2.425 -15.490 -13.482 270 HA SER 31 HA SER 31 4.647 -14.512 -11.745 271 1HB SER 31 2HB SER 31 6.019 -15.448 -13.271 272 2HB SER 31 1HB SER 31 4.612 -16.034 -14.151 273 HG SER 31 HG SER 31 4.612 -14.170 -15.354 274 HA PRO 32 HA PRO 32 3.649 -10.378 -12.831 275 1HB PRO 32 2HB PRO 32 6.131 -9.241 -12.491 276 2HB PRO 32 1HB PRO 32 5.083 -9.728 -11.147 277 1HG PRO 32 2HG PRO 32 7.544 -11.056 -12.188 278 2HG PRO 32 1HG PRO 32 6.853 -11.094 -10.557 279 1HD PRO 32 2HD PRO 32 6.635 -13.146 -12.492 280 2HD PRO 32 1HD PRO 32 5.674 -13.011 -11.004 281 H GLY 33 H GLY 33 3.287 -9.709 -14.913 282 1HA GLY 33 2HA GLY 33 4.414 -8.550 -16.850 283 2HA GLY 33 1HA GLY 33 5.557 -9.895 -16.854 284 H SER 34 H SER 34 2.029 -10.062 -16.447 285 HA SER 34 HA SER 34 1.900 -11.511 -19.060 286 1HB SER 34 2HB SER 34 0.214 -12.269 -16.676 287 2HB SER 34 1HB SER 34 0.533 -13.205 -18.133 288 HG SER 34 HG SER 34 2.084 -12.816 -15.858 289 H VAL 35 H VAL 35 -0.319 -11.494 -20.005 290 HA VAL 35 HA VAL 35 -1.750 -8.982 -19.244 291 HB VAL 35 HB VAL 35 -2.487 -8.830 -21.533 292 1HG1 VAL 35 1HG1 VAL 35 -0.167 -9.129 -22.729 293 2HG1 VAL 35 2HG1 VAL 35 0.415 -9.487 -21.103 294 3HG1 VAL 35 3HG1 VAL 35 -0.332 -7.927 -21.449 295 1HG2 VAL 35 1HG2 VAL 35 -1.274 -11.597 -21.820 296 2HG2 VAL 35 2HG2 VAL 35 -1.834 -10.618 -23.176 297 3HG2 VAL 35 3HG2 VAL 35 -2.981 -11.173 -21.957 298 H HIS 36 H HIS 36 -3.851 -9.146 -18.574 299 HA HIS 36 HA HIS 36 -5.407 -11.577 -19.241 300 1HB HIS 36 2HB HIS 36 -4.367 -10.884 -16.548 301 2HB HIS 36 1HB HIS 36 -6.061 -11.372 -16.616 302 HD1 HIS 36 HD1 HIS 36 -5.737 -13.408 -19.007 303 HD2 HIS 36 HD2 HIS 36 -3.353 -13.330 -15.589 304 HE1 HIS 36 HE1 HIS 36 -4.749 -15.728 -18.768 305 H GLU 37 H GLU 37 -7.738 -11.272 -18.388 306 HA GLU 37 HA GLU 37 -8.495 -8.436 -18.882 307 1HB GLU 37 2HB GLU 37 -9.652 -11.033 -19.539 308 2HB GLU 37 1HB GLU 37 -10.829 -9.959 -18.784 309 1HG GLU 37 2HG GLU 37 -10.239 -8.184 -20.409 310 2HG GLU 37 1HG GLU 37 -9.096 -9.285 -21.180 311 H GLY 38 H GLY 38 -10.057 -7.407 -17.481 312 1HA GLY 38 2HA GLY 38 -11.036 -8.662 -15.078 313 2HA GLY 38 1HA GLY 38 -9.621 -7.670 -14.725 314 H ILE 39 H ILE 39 -11.822 -6.818 -13.506 315 HA ILE 39 HA ILE 39 -13.112 -4.757 -15.219 316 HB ILE 39 HB ILE 39 -13.733 -5.921 -12.500 317 1HG1 ILE 39 2HG1 ILE 39 -16.037 -5.889 -13.930 318 2HG1 ILE 39 1HG1 ILE 39 -14.865 -5.987 -15.245 319 1HG2 ILE 39 1HG2 ILE 39 -14.247 -3.216 -13.417 320 2HG2 ILE 39 2HG2 ILE 39 -14.587 -3.940 -11.847 321 3HG2 ILE 39 3HG2 ILE 39 -15.757 -4.087 -13.158 322 1HD1 ILE 39 1HD1 ILE 39 -14.189 -8.092 -14.664 323 2HD1 ILE 39 2HD1 ILE 39 -15.781 -8.164 -13.910 324 3HD1 ILE 39 3HD1 ILE 39 -14.361 -7.781 -12.937 325 H VAL 40 H VAL 40 -12.878 -2.536 -14.752 326 HA VAL 40 HA VAL 40 -10.582 -1.903 -12.956 327 HB VAL 40 HB VAL 40 -11.876 0.086 -14.809 328 1HG1 VAL 40 1HG1 VAL 40 -9.159 0.342 -14.973 329 2HG1 VAL 40 2HG1 VAL 40 -9.339 -0.274 -13.331 330 3HG1 VAL 40 3HG1 VAL 40 -10.162 1.211 -13.812 331 1HG2 VAL 40 1HG2 VAL 40 -10.037 -0.814 -16.458 332 2HG2 VAL 40 2HG2 VAL 40 -11.596 -1.633 -16.376 333 3HG2 VAL 40 3HG2 VAL 40 -10.201 -2.307 -15.535 334 H TYR 41 H TYR 41 -10.832 0.349 -11.863 335 HA TYR 41 HA TYR 41 -13.591 1.069 -11.151 336 1HB TYR 41 2HB TYR 41 -12.536 -0.909 -9.633 337 2HB TYR 41 1HB TYR 41 -11.910 0.496 -8.768 338 HD1 TYR 41 HD1 TYR 41 -13.587 2.375 -8.179 339 HD2 TYR 41 HD2 TYR 41 -14.765 -1.600 -9.313 340 HE1 TYR 41 HE1 TYR 41 -15.813 2.740 -7.146 341 HE2 TYR 41 HE2 TYR 41 -16.991 -1.234 -8.280 342 HH TYR 41 HH TYR 41 -18.072 0.152 -6.684 343 H PHE 42 H PHE 42 -13.692 3.157 -10.200 344 HA PHE 42 HA PHE 42 -11.139 4.681 -10.380 345 1HB PHE 42 2HB PHE 42 -13.079 5.483 -11.720 346 2HB PHE 42 1HB PHE 42 -13.996 5.694 -10.227 347 HD1 PHE 42 HD1 PHE 42 -13.782 7.668 -8.949 348 HD2 PHE 42 HD2 PHE 42 -10.852 6.745 -11.955 349 HE1 PHE 42 HE1 PHE 42 -12.757 9.906 -8.636 350 HE2 PHE 42 HE2 PHE 42 -9.828 8.983 -11.644 351 HZ PHE 42 HZ PHE 42 -10.780 10.564 -9.984 352 H LYS 43 H LYS 43 -10.155 4.537 -8.379 353 HA LYS 43 HA LYS 43 -11.798 4.784 -5.935 354 1HB LYS 43 2HB LYS 43 -9.658 3.248 -6.401 355 2HB LYS 43 1HB LYS 43 -8.817 4.690 -5.831 356 1HG LYS 43 2HG LYS 43 -10.095 4.679 -3.762 357 2HG LYS 43 1HG LYS 43 -11.083 3.337 -4.340 358 1HD LYS 43 2HD LYS 43 -9.524 2.195 -3.050 359 2HD LYS 43 1HD LYS 43 -8.743 2.145 -4.631 360 1HE LYS 43 2HE LYS 43 -6.971 2.985 -3.444 361 2HE LYS 43 1HE LYS 43 -7.795 4.514 -3.749 362 1HZ LYS 43 1HZ LYS 43 -7.326 3.210 -1.284 363 2HZ LYS 43 2HZ LYS 43 -8.998 3.410 -1.518 364 3HZ LYS 43 3HZ LYS 43 -7.963 4.756 -1.568 365 H ASP 44 H ASP 44 -10.879 6.321 -4.205 366 HA ASP 44 HA ASP 44 -10.607 8.980 -5.445 367 1HB ASP 44 2HB ASP 44 -10.784 9.782 -3.074 368 2HB ASP 44 1HB ASP 44 -12.145 8.775 -3.570 369 H GLY 45 H GLY 45 -8.389 6.820 -5.296 370 1HA GLY 45 2HA GLY 45 -6.276 8.733 -4.478 371 2HA GLY 45 1HA GLY 45 -6.276 7.148 -3.704 372 H ILE 46 H ILE 46 -7.122 5.631 -5.984 373 HA ILE 46 HA ILE 46 -5.197 6.180 -8.136 374 HB ILE 46 HB ILE 46 -3.978 4.074 -7.863 375 1HG1 ILE 46 2HG1 ILE 46 -5.497 3.730 -5.263 376 2HG1 ILE 46 1HG1 ILE 46 -5.941 2.901 -6.756 377 1HG2 ILE 46 1HG2 ILE 46 -2.710 4.639 -5.859 378 2HG2 ILE 46 2HG2 ILE 46 -4.053 5.603 -5.244 379 3HG2 ILE 46 3HG2 ILE 46 -3.176 6.129 -6.680 380 1HD1 ILE 46 1HD1 ILE 46 -3.644 2.431 -4.946 381 2HD1 ILE 46 2HD1 ILE 46 -3.282 2.351 -6.670 382 3HD1 ILE 46 3HD1 ILE 46 -4.515 1.297 -5.978 383 H PHE 47 H PHE 47 -5.241 3.414 -9.080 384 HA PHE 47 HA PHE 47 -8.126 3.298 -9.850 385 1HB PHE 47 2HB PHE 47 -5.578 2.749 -11.290 386 2HB PHE 47 1HB PHE 47 -6.944 1.700 -11.668 387 HD1 PHE 47 HD1 PHE 47 -7.236 2.567 -13.936 388 HD2 PHE 47 HD2 PHE 47 -7.405 5.169 -10.520 389 HE1 PHE 47 HE1 PHE 47 -8.226 4.353 -15.346 390 HE2 PHE 47 HE2 PHE 47 -8.394 6.956 -11.931 391 HZ PHE 47 HZ PHE 47 -8.805 6.547 -14.343 392 H LYS 48 H LYS 48 -9.111 1.160 -9.972 393 HA LYS 48 HA LYS 48 -7.674 -0.887 -8.332 394 1HB LYS 48 2HB LYS 48 -9.772 0.459 -7.356 395 2HB LYS 48 1HB LYS 48 -10.654 -0.768 -8.267 396 1HG LYS 48 2HG LYS 48 -9.119 -2.483 -7.120 397 2HG LYS 48 1HG LYS 48 -8.677 -1.176 -6.020 398 1HD LYS 48 2HD LYS 48 -11.202 -0.840 -5.669 399 2HD LYS 48 1HD LYS 48 -11.401 -2.409 -6.451 400 1HE LYS 48 2HE LYS 48 -9.597 -3.207 -4.729 401 2HE LYS 48 1HE LYS 48 -10.062 -1.759 -3.838 402 1HZ LYS 48 1HZ LYS 48 -12.096 -3.647 -4.839 403 2HZ LYS 48 2HZ LYS 48 -12.226 -2.508 -3.586 404 3HZ LYS 48 3HZ LYS 48 -11.309 -3.920 -3.361 405 H VAL 49 H VAL 49 -8.099 -3.075 -8.917 406 HA VAL 49 HA VAL 49 -9.690 -3.488 -11.399 407 HB VAL 49 HB VAL 49 -6.983 -4.774 -11.028 408 1HG1 VAL 49 1HG1 VAL 49 -7.222 -5.436 -13.250 409 2HG1 VAL 49 2HG1 VAL 49 -8.337 -4.123 -13.627 410 3HG1 VAL 49 3HG1 VAL 49 -8.892 -5.511 -12.689 411 1HG2 VAL 49 1HG2 VAL 49 -6.378 -2.492 -11.083 412 2HG2 VAL 49 2HG2 VAL 49 -7.692 -2.079 -12.185 413 3HG2 VAL 49 3HG2 VAL 49 -6.294 -2.977 -12.777 414 H ARG 50 H ARG 50 -11.205 -4.957 -10.756 415 HA ARG 50 HA ARG 50 -10.440 -6.999 -8.731 416 1HB ARG 50 2HB ARG 50 -12.462 -5.802 -8.179 417 2HB ARG 50 1HB ARG 50 -13.127 -6.080 -9.789 418 1HG ARG 50 2HG ARG 50 -14.064 -7.974 -9.018 419 2HG ARG 50 1HG ARG 50 -12.443 -8.628 -8.785 420 1HD ARG 50 2HD ARG 50 -13.293 -8.783 -6.624 421 2HD ARG 50 1HD ARG 50 -12.512 -7.202 -6.567 422 HE ARG 50 HE ARG 50 -15.050 -6.558 -7.364 423 1HH1 ARG 50 1HH2 ARG 50 -14.133 -5.964 -4.586 424 2HH1 ARG 50 2HH2 ARG 50 -15.279 -6.835 -3.623 425 1HH2 ARG 50 2HH1 ARG 50 -16.383 -8.809 -6.251 426 2HH2 ARG 50 1HH1 ARG 50 -16.554 -8.446 -4.567 427 H LEU 51 H LEU 51 -10.074 -9.071 -9.375 428 HA LEU 51 HA LEU 51 -10.386 -9.766 -12.199 429 1HB LEU 51 2HB LEU 51 -8.872 -10.737 -9.956 430 2HB LEU 51 1HB LEU 51 -9.773 -12.077 -10.666 431 HG LEU 51 HG LEU 51 -8.780 -10.568 -12.838 432 1HD1 LEU 51 1HD1 LEU 51 -6.869 -9.629 -12.109 433 2HD1 LEU 51 2HD1 LEU 51 -6.257 -11.251 -11.781 434 3HD1 LEU 51 3HD1 LEU 51 -7.077 -10.342 -10.511 435 1HD2 LEU 51 1HD2 LEU 51 -8.685 -12.763 -13.384 436 2HD2 LEU 51 2HD2 LEU 51 -8.600 -13.254 -11.693 437 3HD2 LEU 51 3HD2 LEU 51 -7.131 -12.794 -12.553 438 H LEU 52 H LEU 52 -12.718 -9.650 -12.394 439 HA LEU 52 HA LEU 52 -14.548 -11.099 -10.768 440 1HB LEU 52 2HB LEU 52 -15.363 -9.423 -12.318 441 2HB LEU 52 1HB LEU 52 -14.696 -10.305 -13.691 442 HG LEU 52 HG LEU 52 -16.198 -12.261 -12.938 443 1HD1 LEU 52 1HD1 LEU 52 -16.753 -10.355 -10.883 444 2HD1 LEU 52 2HD1 LEU 52 -17.432 -11.972 -11.080 445 3HD1 LEU 52 3HD1 LEU 52 -18.227 -10.583 -11.824 446 1HD2 LEU 52 1HD2 LEU 52 -18.147 -11.298 -14.117 447 2HD2 LEU 52 2HD2 LEU 52 -16.642 -10.880 -14.935 448 3HD2 LEU 52 3HD2 LEU 52 -17.461 -9.685 -13.929 449 H GLY 53 H GLY 53 -15.402 -13.201 -10.968 450 1HA GLY 53 2HA GLY 53 -15.639 -15.328 -12.134 451 2HA GLY 53 1HA GLY 53 -14.152 -14.969 -13.014 452 H TYR 54 H TYR 54 -12.313 -14.405 -11.153 453 HA TYR 54 HA TYR 54 -11.796 -16.974 -9.930 454 1HB TYR 54 2HB TYR 54 -10.304 -14.652 -10.544 455 2HB TYR 54 1HB TYR 54 -10.176 -14.872 -8.798 456 HD1 TYR 54 HD1 TYR 54 -9.914 -17.483 -8.098 457 HD2 TYR 54 HD2 TYR 54 -8.715 -15.747 -11.843 458 HE1 TYR 54 HE1 TYR 54 -8.309 -19.342 -8.447 459 HE2 TYR 54 HE2 TYR 54 -7.110 -17.608 -12.192 460 HH TYR 54 HH TYR 54 -5.946 -19.468 -9.986 461 H GLU 55 H GLU 55 -13.314 -14.030 -8.858 462 HA GLU 55 HA GLU 55 -14.158 -13.396 -6.753 463 1HB GLU 55 2HB GLU 55 -15.198 -15.837 -7.485 464 2HB GLU 55 1HB GLU 55 -14.559 -16.177 -5.876 465 1HG GLU 55 2HG GLU 55 -15.894 -13.614 -5.887 466 2HG GLU 55 1HG GLU 55 -16.977 -14.863 -6.502 467 H GLY 56 H GLY 56 -12.089 -12.688 -5.898 468 1HA GLY 56 2HA GLY 56 -11.251 -13.151 -3.462 469 2HA GLY 56 1HA GLY 56 -10.696 -14.673 -4.162 470 H HIS 57 H HIS 57 -10.340 -12.754 -6.694 471 HA HIS 57 HA HIS 57 -7.510 -12.160 -6.015 472 1HB HIS 57 2HB HIS 57 -9.029 -12.693 -8.522 473 2HB HIS 57 1HB HIS 57 -7.648 -11.602 -8.640 474 HD1 HIS 57 HD1 HIS 57 -7.693 -14.529 -9.851 475 HD2 HIS 57 HD2 HIS 57 -5.982 -13.459 -6.203 476 HE1 HIS 57 HE1 HIS 57 -5.959 -16.299 -9.327 477 H GLU 58 H GLU 58 -7.579 -10.179 -4.934 478 HA GLU 58 HA GLU 58 -9.042 -7.947 -6.257 479 1HB GLU 58 2HB GLU 58 -9.536 -8.179 -3.893 480 2HB GLU 58 1HB GLU 58 -7.818 -8.201 -3.493 481 1HG GLU 58 2HG GLU 58 -7.546 -5.912 -4.194 482 2HG GLU 58 1HG GLU 58 -9.171 -5.871 -4.878 483 H CYS 59 H CYS 59 -7.745 -7.005 -7.783 484 HA CYS 59 HA CYS 59 -4.861 -6.627 -7.122 485 1HB CYS 59 2HB CYS 59 -6.243 -6.294 -9.800 486 2HB CYS 59 1HB CYS 59 -4.504 -6.321 -9.502 487 HG CYS 59 HG CYS 59 -5.694 -8.732 -10.240 488 H ILE 60 H ILE 60 -3.920 -4.513 -7.786 489 HA ILE 60 HA ILE 60 -5.904 -2.283 -7.704 490 HB ILE 60 HB ILE 60 -3.832 -1.151 -6.401 491 1HG1 ILE 60 2HG1 ILE 60 -3.818 -4.028 -5.438 492 2HG1 ILE 60 1HG1 ILE 60 -2.573 -3.344 -6.483 493 1HG2 ILE 60 1HG2 ILE 60 -5.886 -2.921 -5.043 494 2HG2 ILE 60 2HG2 ILE 60 -6.226 -1.313 -5.682 495 3HG2 ILE 60 3HG2 ILE 60 -5.088 -1.510 -4.349 496 1HD1 ILE 60 1HD1 ILE 60 -2.313 -3.333 -3.828 497 2HD1 ILE 60 2HD1 ILE 60 -3.262 -1.855 -3.987 498 3HD1 ILE 60 3HD1 ILE 60 -1.712 -2.000 -4.814 499 H LEU 61 H LEU 61 -5.497 -0.747 -9.264 500 HA LEU 61 HA LEU 61 -3.065 -1.159 -10.913 501 1HB LEU 61 2HB LEU 61 -5.517 -0.950 -11.816 502 2HB LEU 61 1HB LEU 61 -5.256 0.781 -11.595 503 HG LEU 61 HG LEU 61 -2.923 -0.272 -12.842 504 1HD1 LEU 61 1HD1 LEU 61 -5.470 -0.993 -14.324 505 2HD1 LEU 61 2HD1 LEU 61 -4.462 -2.168 -13.479 506 3HD1 LEU 61 3HD1 LEU 61 -3.813 -1.279 -14.858 507 1HD2 LEU 61 1HD2 LEU 61 -3.780 2.017 -13.076 508 2HD2 LEU 61 2HD2 LEU 61 -5.221 1.413 -13.893 509 3HD2 LEU 61 3HD2 LEU 61 -3.641 1.264 -14.665 510 H LEU 62 H LEU 62 -1.371 0.175 -10.699 511 HA LEU 62 HA LEU 62 -1.793 3.014 -10.008 512 1HB LEU 62 2HB LEU 62 -1.614 1.979 -7.797 513 2HB LEU 62 1HB LEU 62 -0.131 1.154 -8.282 514 HG LEU 62 HG LEU 62 0.593 3.665 -8.887 515 1HD1 LEU 62 1HD1 LEU 62 -1.850 4.164 -7.786 516 2HD1 LEU 62 2HD1 LEU 62 -0.514 5.316 -7.767 517 3HD1 LEU 62 3HD1 LEU 62 -0.817 4.294 -6.361 518 1HD2 LEU 62 1HD2 LEU 62 1.269 3.694 -6.274 519 2HD2 LEU 62 2HD2 LEU 62 2.057 2.635 -7.443 520 3HD2 LEU 62 3HD2 LEU 62 0.766 2.010 -6.417 521 H ASP 63 H ASP 63 0.468 0.383 -10.774 522 HA ASP 63 HA ASP 63 2.791 1.810 -11.346 523 1HB ASP 63 2HB ASP 63 2.216 -0.738 -11.667 524 2HB ASP 63 1HB ASP 63 1.836 -0.247 -13.318 525 H TYR 64 H TYR 64 0.089 1.211 -13.628 526 HA TYR 64 HA TYR 64 1.009 3.656 -15.098 527 1HB TYR 64 2HB TYR 64 0.705 1.044 -16.083 528 2HB TYR 64 1HB TYR 64 -0.715 1.918 -16.662 529 HD1 TYR 64 HD1 TYR 64 -0.442 4.014 -18.000 530 HD2 TYR 64 HD2 TYR 64 2.908 1.559 -16.893 531 HE1 TYR 64 HE1 TYR 64 0.954 5.148 -19.708 532 HE2 TYR 64 HE2 TYR 64 4.303 2.692 -18.602 533 HH TYR 64 HH TYR 64 4.214 5.072 -19.761 534 H LEU 65 H LEU 65 -0.637 4.039 -12.953 535 HA LEU 65 HA LEU 65 -3.426 3.831 -13.362 536 1HB LEU 65 2HB LEU 65 -3.639 5.638 -11.732 537 2HB LEU 65 1HB LEU 65 -2.343 4.551 -11.230 538 HG LEU 65 HG LEU 65 -1.487 6.751 -13.006 539 1HD1 LEU 65 1HD1 LEU 65 -1.691 7.726 -10.266 540 2HD1 LEU 65 2HD1 LEU 65 -3.280 7.415 -10.964 541 3HD1 LEU 65 3HD1 LEU 65 -2.165 8.516 -11.771 542 1HD2 LEU 65 1HD2 LEU 65 -0.538 5.223 -10.621 543 2HD2 LEU 65 2HD2 LEU 65 0.124 6.840 -10.863 544 3HD2 LEU 65 3HD2 LEU 65 0.314 5.612 -12.115 545 H ASN 66 H ASN 66 -1.102 5.847 -14.936 546 HA ASN 66 HA ASN 66 -1.382 7.341 -16.730 547 1HB ASN 66 2HB ASN 66 -3.189 5.654 -17.379 548 2HB ASN 66 1HB ASN 66 -4.341 6.722 -16.576 549 1HD2 ASN 66 1HD2 ASN 66 -5.428 7.704 -18.323 550 2HD2 ASN 66 2HD2 ASN 66 -4.650 8.532 -19.583 551 H TYR 67 H TYR 67 -2.250 9.541 -17.109 552 HA TYR 67 HA TYR 67 -3.412 10.719 -14.615 553 1HB TYR 67 2HB TYR 67 -2.142 12.842 -15.579 554 2HB TYR 67 1HB TYR 67 -1.288 11.654 -14.594 555 HD1 TYR 67 HD1 TYR 67 -2.314 12.056 -18.191 556 HD2 TYR 67 HD2 TYR 67 0.772 10.954 -15.411 557 HE1 TYR 67 HE1 TYR 67 -0.777 11.593 -20.082 558 HE2 TYR 67 HE2 TYR 67 2.309 10.490 -17.303 559 HH TYR 67 HH TYR 67 1.239 10.248 -20.526 560 H ARG 68 H ARG 68 -4.534 12.869 -15.096 561 HA ARG 68 HA ARG 68 -5.938 12.669 -17.732 562 1HB ARG 68 2HB ARG 68 -6.915 13.038 -14.969 563 2HB ARG 68 1HB ARG 68 -7.635 14.128 -16.156 564 1HG ARG 68 2HG ARG 68 -7.447 11.126 -16.526 565 2HG ARG 68 1HG ARG 68 -8.872 11.948 -15.891 566 1HD ARG 68 2HD ARG 68 -9.260 13.094 -17.928 567 2HD ARG 68 1HD ARG 68 -7.636 12.750 -18.525 568 HE ARG 68 HE ARG 68 -9.394 10.418 -18.055 569 1HH1 ARG 68 2HH1 ARG 68 -8.900 12.906 -20.301 570 2HH1 ARG 68 1HH1 ARG 68 -8.724 11.856 -21.668 571 1HH2 ARG 68 1HH2 ARG 68 -8.758 8.949 -19.777 572 2HH2 ARG 68 2HH2 ARG 68 -8.646 9.616 -21.371 573 H GLN 69 H GLN 69 -6.513 14.709 -18.736 574 HA GLN 69 HA GLN 69 -4.528 16.815 -18.179 575 1HB GLN 69 2HB GLN 69 -5.440 15.888 -20.516 576 2HB GLN 69 1HB GLN 69 -6.642 17.154 -20.261 577 1HG GLN 69 2HG GLN 69 -4.163 18.314 -19.583 578 2HG GLN 69 1HG GLN 69 -3.879 17.415 -21.076 579 1HE2 GLN 69 1HE2 GLN 69 -3.680 19.655 -22.082 580 2HE2 GLN 69 2HE2 GLN 69 -5.102 20.466 -22.532 581 H ASP 70 H ASP 70 -5.806 17.055 -15.998 582 HA ASP 70 HA ASP 70 -7.360 18.256 -14.692 583 1HB ASP 70 2HB ASP 70 -6.593 20.178 -16.899 584 2HB ASP 70 1HB ASP 70 -7.598 20.662 -15.532 585 H THR 71 H THR 71 -8.773 16.464 -16.138 586 HA THR 71 HA THR 71 -11.182 18.032 -16.911 587 HB THR 71 HB THR 71 -10.158 17.469 -19.030 588 HG1 THR 71 HG1 THR 71 -11.853 16.403 -19.874 589 1HG2 THR 71 1HG2 THR 71 -8.870 15.646 -19.280 590 2HG2 THR 71 2HG2 THR 71 -10.227 14.590 -18.890 591 3HG2 THR 71 3HG2 THR 71 -9.206 15.227 -17.600 592 H LEU 72 H LEU 72 -12.922 17.262 -15.814 593 HA LEU 72 HA LEU 72 -12.852 15.178 -13.946 594 1HB LEU 72 2HB LEU 72 -14.803 16.944 -14.953 595 2HB LEU 72 1HB LEU 72 -15.478 15.327 -15.164 596 HG LEU 72 HG LEU 72 -14.131 15.813 -12.571 597 1HD1 LEU 72 1HD1 LEU 72 -16.679 16.780 -12.077 598 2HD1 LEU 72 2HD1 LEU 72 -16.242 17.573 -13.589 599 3HD1 LEU 72 3HD1 LEU 72 -15.216 17.759 -12.168 600 1HD2 LEU 72 1HD2 LEU 72 -15.489 14.104 -11.945 601 2HD2 LEU 72 2HD2 LEU 72 -15.806 13.907 -13.669 602 3HD2 LEU 72 3HD2 LEU 72 -16.909 14.858 -12.673 603 H ASP 73 H ASP 73 -13.445 15.021 -17.414 604 HA ASP 73 HA ASP 73 -13.423 13.155 -18.842 605 1HB ASP 73 2HB ASP 73 -11.718 12.423 -16.872 606 2HB ASP 73 1HB ASP 73 -12.979 11.210 -16.642 607 H ARG 74 H ARG 74 -15.768 13.549 -18.968 608 HA ARG 74 HA ARG 74 -17.646 12.289 -17.212 609 1HB ARG 74 2HB ARG 74 -17.807 14.023 -19.363 610 2HB ARG 74 1HB ARG 74 -18.533 12.546 -19.997 611 1HG ARG 74 2HG ARG 74 -20.120 12.458 -18.186 612 2HG ARG 74 1HG ARG 74 -19.303 13.771 -17.337 613 1HD ARG 74 2HD ARG 74 -19.769 15.047 -19.636 614 2HD ARG 74 1HD ARG 74 -21.087 13.879 -19.730 615 HE ARG 74 HE ARG 74 -21.633 14.769 -17.328 616 1HH1 ARG 74 2HH1 ARG 74 -19.348 16.782 -18.538 617 2HH1 ARG 74 1HH1 ARG 74 -20.331 18.206 -18.608 618 1HH2 ARG 74 1HH2 ARG 74 -23.295 16.511 -18.005 619 2HH2 ARG 74 2HH2 ARG 74 -22.565 18.053 -18.305 620 H LEU 75 H LEU 75 -15.788 11.115 -19.927 621 HA LEU 75 HA LEU 75 -17.288 8.871 -20.719 622 1HB LEU 75 2HB LEU 75 -14.668 9.836 -21.132 623 2HB LEU 75 1HB LEU 75 -14.486 8.183 -20.544 624 HG LEU 75 HG LEU 75 -16.004 7.359 -22.267 625 1HD1 LEU 75 1HD1 LEU 75 -17.514 8.717 -23.236 626 2HD1 LEU 75 2HD1 LEU 75 -16.223 9.721 -23.899 627 3HD1 LEU 75 3HD1 LEU 75 -16.869 10.061 -22.292 628 1HD2 LEU 75 1HD2 LEU 75 -13.755 7.420 -23.030 629 2HD2 LEU 75 2HD2 LEU 75 -13.768 9.177 -23.178 630 3HD2 LEU 75 3HD2 LEU 75 -14.676 8.189 -24.322 631 H LYS 76 H LYS 76 -14.900 9.095 -18.065 632 HA LYS 76 HA LYS 76 -14.865 6.473 -17.166 633 1HB LYS 76 2HB LYS 76 -15.136 8.882 -15.345 634 2HB LYS 76 1HB LYS 76 -14.389 7.335 -14.947 635 1HG LYS 76 2HG LYS 76 -12.774 7.762 -16.872 636 2HG LYS 76 1HG LYS 76 -13.409 9.407 -16.920 637 1HD LYS 76 2HD LYS 76 -11.810 9.861 -15.373 638 2HD LYS 76 1HD LYS 76 -12.904 9.071 -14.237 639 1HE LYS 76 2HE LYS 76 -11.299 7.537 -13.865 640 2HE LYS 76 1HE LYS 76 -11.523 6.981 -15.523 641 1HZ LYS 76 1HZ LYS 76 -9.429 7.625 -15.824 642 2HZ LYS 76 2HZ LYS 76 -9.392 8.527 -14.385 643 3HZ LYS 76 3HZ LYS 76 -10.017 9.216 -15.806 644 H GLU 77 H GLU 77 -17.363 8.917 -16.448 645 HA GLU 77 HA GLU 77 -18.964 7.441 -14.682 646 1HB GLU 77 2HB GLU 77 -19.233 9.812 -16.188 647 2HB GLU 77 1HB GLU 77 -20.633 8.821 -16.601 648 1HG GLU 77 2HG GLU 77 -20.707 8.419 -13.981 649 2HG GLU 77 1HG GLU 77 -19.827 9.948 -13.947 650 H ARG 78 H ARG 78 -19.032 7.394 -18.256 651 HA ARG 78 HA ARG 78 -21.162 5.711 -18.764 652 1HB ARG 78 2HB ARG 78 -18.695 6.377 -20.102 653 2HB ARG 78 1HB ARG 78 -19.047 4.663 -20.329 654 1HG ARG 78 2HG ARG 78 -20.917 5.075 -21.574 655 2HG ARG 78 1HG ARG 78 -21.362 6.489 -20.620 656 1HD ARG 78 2HD ARG 78 -19.520 7.766 -21.711 657 2HD ARG 78 1HD ARG 78 -19.183 6.362 -22.724 658 HE ARG 78 HE ARG 78 -21.293 8.259 -23.171 659 1HH1 ARG 78 1HH2 ARG 78 -20.091 6.374 -25.217 660 2HH1 ARG 78 2HH2 ARG 78 -21.439 5.346 -25.570 661 1HH2 ARG 78 2HH1 ARG 78 -23.242 6.294 -22.765 662 2HH2 ARG 78 1HH1 ARG 78 -23.221 5.301 -24.184 663 H LEU 79 H LEU 79 -17.854 4.375 -18.383 664 HA LEU 79 HA LEU 79 -18.646 2.431 -16.417 665 1HB LEU 79 2HB LEU 79 -19.230 1.790 -19.174 666 2HB LEU 79 1HB LEU 79 -18.024 0.671 -18.536 667 HG LEU 79 HG LEU 79 -20.594 1.354 -17.086 668 1HD1 LEU 79 1HD1 LEU 79 -21.650 0.029 -18.572 669 2HD1 LEU 79 2HD1 LEU 79 -20.665 -1.309 -17.981 670 3HD1 LEU 79 3HD1 LEU 79 -20.130 -0.369 -19.374 671 1HD2 LEU 79 1HD2 LEU 79 -18.299 -0.537 -16.668 672 2HD2 LEU 79 2HD2 LEU 79 -19.900 -0.985 -16.081 673 3HD2 LEU 79 3HD2 LEU 79 -19.125 0.486 -15.494 674 H VAL 80 H VAL 80 -16.573 3.715 -15.904 675 HA VAL 80 HA VAL 80 -14.124 3.229 -17.267 676 HB VAL 80 HB VAL 80 -14.711 4.876 -15.324 677 1HG1 VAL 80 1HG1 VAL 80 -15.344 3.175 -13.677 678 2HG1 VAL 80 2HG1 VAL 80 -13.932 4.070 -13.113 679 3HG1 VAL 80 3HG1 VAL 80 -13.740 2.451 -13.787 680 1HG2 VAL 80 1HG2 VAL 80 -12.440 5.306 -15.104 681 2HG2 VAL 80 2HG2 VAL 80 -12.426 4.278 -16.537 682 3HG2 VAL 80 3HG2 VAL 80 -12.028 3.597 -14.959 683 H GLY 81 H GLY 81 -15.674 1.487 -14.606 684 1HA GLY 81 2HA GLY 81 -13.553 -0.463 -14.367 685 2HA GLY 81 1HA GLY 81 -15.128 -0.566 -13.598 686 H ARG 82 H ARG 82 -15.239 -0.127 -17.018 687 HA ARG 82 HA ARG 82 -16.685 -2.467 -17.565 688 1HB ARG 82 2HB ARG 82 -15.799 -0.343 -19.054 689 2HB ARG 82 1HB ARG 82 -14.829 -1.663 -19.707 690 1HG ARG 82 2HG ARG 82 -16.721 -2.891 -20.376 691 2HG ARG 82 1HG ARG 82 -17.795 -1.996 -19.299 692 1HD ARG 82 2HD ARG 82 -18.229 -1.177 -21.508 693 2HD ARG 82 1HD ARG 82 -17.280 0.067 -20.698 694 HE ARG 82 HE ARG 82 -15.371 -1.491 -21.957 695 1HH1 ARG 82 1HH2 ARG 82 -17.111 1.209 -22.638 696 2HH1 ARG 82 2HH2 ARG 82 -17.087 1.047 -24.362 697 1HH2 ARG 82 2HH1 ARG 82 -15.824 -2.181 -24.308 698 2HH2 ARG 82 1HH1 ARG 82 -16.359 -0.872 -25.307 699 H VAL 83 H VAL 83 -15.586 -4.049 -19.367 700 HA VAL 83 HA VAL 83 -13.456 -5.441 -17.832 701 HB VAL 83 HB VAL 83 -13.958 -7.296 -19.537 702 1HG1 VAL 83 1HG1 VAL 83 -14.841 -7.382 -17.268 703 2HG1 VAL 83 2HG1 VAL 83 -16.104 -7.888 -18.391 704 3HG1 VAL 83 3HG1 VAL 83 -16.138 -6.266 -17.695 705 1HG2 VAL 83 1HG2 VAL 83 -16.522 -5.807 -20.023 706 2HG2 VAL 83 2HG2 VAL 83 -15.782 -7.090 -20.980 707 3HG2 VAL 83 3HG2 VAL 83 -15.118 -5.456 -21.031 708 H ILE 84 H ILE 84 -11.427 -4.882 -18.408 709 HA ILE 84 HA ILE 84 -10.825 -4.607 -21.322 710 HB ILE 84 HB ILE 84 -9.261 -2.747 -20.718 711 1HG1 ILE 84 2HG1 ILE 84 -9.800 -1.681 -18.430 712 2HG1 ILE 84 1HG1 ILE 84 -10.512 -3.238 -18.009 713 1HG2 ILE 84 1HG2 ILE 84 -12.222 -2.582 -20.228 714 2HG2 ILE 84 2HG2 ILE 84 -11.280 -1.933 -21.570 715 3HG2 ILE 84 3HG2 ILE 84 -11.221 -1.149 -19.992 716 1HD1 ILE 84 1HD1 ILE 84 -7.913 -3.609 -19.233 717 2HD1 ILE 84 2HD1 ILE 84 -8.483 -4.143 -17.652 718 3HD1 ILE 84 3HD1 ILE 84 -7.796 -2.530 -17.843 719 H LYS 85 H LYS 85 -8.288 -4.582 -21.561 720 HA LYS 85 HA LYS 85 -7.288 -6.916 -20.014 721 1HB LYS 85 2HB LYS 85 -6.142 -5.598 -22.497 722 2HB LYS 85 1HB LYS 85 -5.608 -7.120 -21.783 723 1HG LYS 85 2HG LYS 85 -7.873 -8.070 -22.173 724 2HG LYS 85 1HG LYS 85 -8.349 -6.561 -22.953 725 1HD LYS 85 2HD LYS 85 -7.677 -7.683 -24.837 726 2HD LYS 85 1HD LYS 85 -6.098 -7.072 -24.345 727 1HE LYS 85 2HE LYS 85 -7.147 -9.723 -23.352 728 2HE LYS 85 1HE LYS 85 -6.260 -9.588 -24.869 729 1HZ LYS 85 1HZ LYS 85 -5.298 -9.446 -22.167 730 2HZ LYS 85 2HZ LYS 85 -4.742 -8.167 -23.139 731 3HZ LYS 85 3HZ LYS 85 -4.455 -9.776 -23.601 732 H THR 86 H THR 86 -5.197 -6.812 -18.998 733 HA THR 86 HA THR 86 -3.801 -4.225 -18.904 734 HB THR 86 HB THR 86 -4.190 -5.020 -16.172 735 HG1 THR 86 HG1 THR 86 -6.570 -4.276 -16.457 736 1HG2 THR 86 1HG2 THR 86 -4.659 -2.642 -17.915 737 2HG2 THR 86 2HG2 THR 86 -3.674 -2.790 -16.461 738 3HG2 THR 86 3HG2 THR 86 -5.429 -2.667 -16.328 739 H ARG 87 H ARG 87 -1.837 -4.456 -17.355 740 HA ARG 87 HA ARG 87 -0.717 -7.181 -17.784 741 1HB ARG 87 2HB ARG 87 0.855 -4.790 -16.840 742 2HB ARG 87 1HB ARG 87 1.417 -6.191 -17.753 743 1HG ARG 87 2HG ARG 87 -0.424 -4.011 -18.782 744 2HG ARG 87 1HG ARG 87 1.265 -4.245 -19.234 745 1HD ARG 87 2HD ARG 87 0.360 -6.703 -19.805 746 2HD ARG 87 1HD ARG 87 -1.146 -5.811 -20.029 747 HE ARG 87 HE ARG 87 1.344 -4.966 -21.448 748 1HH1 ARG 87 1HH2 ARG 87 -1.842 -4.243 -21.367 749 2HH1 ARG 87 2HH2 ARG 87 -2.195 -4.622 -23.020 750 1HH2 ARG 87 2HH1 ARG 87 0.848 -6.183 -23.587 751 2HH2 ARG 87 1HH1 ARG 87 -0.672 -5.723 -24.276 752 H VAL 88 H VAL 88 0.408 -8.237 -16.011 753 HA VAL 88 HA VAL 88 -0.755 -7.502 -13.376 754 HB VAL 88 HB VAL 88 0.795 -10.001 -14.116 755 1HG1 VAL 88 1HG1 VAL 88 0.668 -10.276 -11.873 756 2HG1 VAL 88 2HG1 VAL 88 -1.056 -10.554 -12.122 757 3HG1 VAL 88 3HG1 VAL 88 -0.475 -8.944 -11.698 758 1HG2 VAL 88 1HG2 VAL 88 -2.205 -9.838 -13.900 759 2HG2 VAL 88 2HG2 VAL 88 -1.219 -11.057 -14.707 760 3HG2 VAL 88 3HG2 VAL 88 -1.407 -9.457 -15.425 761 H VAL 89 H VAL 89 0.508 -6.501 -11.892 762 HA VAL 89 HA VAL 89 3.345 -6.087 -12.505 763 HB VAL 89 HB VAL 89 1.561 -5.094 -10.278 764 1HG1 VAL 89 1HG1 VAL 89 3.376 -4.328 -9.180 765 2HG1 VAL 89 2HG1 VAL 89 4.033 -3.628 -10.661 766 3HG1 VAL 89 3HG1 VAL 89 4.365 -5.312 -10.258 767 1HG2 VAL 89 1HG2 VAL 89 1.517 -4.326 -12.839 768 2HG2 VAL 89 2HG2 VAL 89 2.886 -3.350 -12.306 769 3HG2 VAL 89 3HG2 VAL 89 1.315 -3.168 -11.524 770 H ARG 90 H ARG 90 1.415 -7.888 -10.139 771 HA ARG 90 HA ARG 90 3.289 -9.872 -9.612 772 1HB ARG 90 2HB ARG 90 4.182 -9.013 -7.348 773 2HB ARG 90 1HB ARG 90 4.921 -8.347 -8.804 774 1HG ARG 90 2HG ARG 90 3.685 -6.321 -8.631 775 2HG ARG 90 1HG ARG 90 2.575 -7.012 -7.448 776 1HD ARG 90 2HD ARG 90 3.936 -6.460 -5.739 777 2HD ARG 90 1HD ARG 90 5.321 -7.215 -6.529 778 HE ARG 90 HE ARG 90 4.691 -4.674 -7.753 779 1HH1 ARG 90 1HH2 ARG 90 4.756 -3.863 -4.910 780 2HH1 ARG 90 2HH2 ARG 90 6.442 -3.586 -4.627 781 1HH2 ARG 90 2HH1 ARG 90 7.474 -5.320 -7.447 782 2HH2 ARG 90 1HH1 ARG 90 7.981 -4.410 -6.063 783 H ALA 91 H ALA 91 1.675 -11.256 -9.030 784 HA ALA 91 HA ALA 91 -0.403 -10.371 -7.118 785 1HB ALA 91 1HB ALA 91 -0.052 -12.698 -8.973 786 2HB ALA 91 2HB ALA 91 -1.440 -11.630 -8.770 787 3HB ALA 91 3HB ALA 91 -1.116 -12.888 -7.579 788 H ASP 92 H ASP 92 0.082 -10.575 -4.980 789 HA ASP 92 HA ASP 92 1.544 -13.037 -4.126 790 1HB ASP 92 2HB ASP 92 2.627 -10.483 -4.064 791 2HB ASP 92 1HB ASP 92 2.019 -10.703 -2.423 792 H GLY 93 H GLY 93 -0.976 -13.431 -3.899 793 1HA GLY 93 2HA GLY 93 -2.156 -14.182 -1.844 794 2HA GLY 93 1HA GLY 93 -1.707 -12.645 -1.107 795 H LEU 94 H LEU 94 -4.118 -12.559 -0.731 796 HA LEU 94 HA LEU 94 -6.017 -12.336 -2.827 797 1HB LEU 94 2HB LEU 94 -6.111 -12.193 -0.087 798 2HB LEU 94 1HB LEU 94 -6.445 -10.521 -0.544 799 HG LEU 94 HG LEU 94 -8.085 -11.623 -2.279 800 1HD1 LEU 94 1HD1 LEU 94 -8.983 -13.747 -1.612 801 2HD1 LEU 94 2HD1 LEU 94 -8.048 -13.741 -0.117 802 3HD1 LEU 94 3HD1 LEU 94 -7.231 -13.939 -1.667 803 1HD2 LEU 94 1HD2 LEU 94 -9.380 -11.998 0.278 804 2HD2 LEU 94 2HD2 LEU 94 -9.600 -10.694 -0.889 805 3HD2 LEU 94 3HD2 LEU 94 -8.337 -10.577 0.337 806 H TYR 95 H TYR 95 -3.607 -10.082 -1.681 807 HA TYR 95 HA TYR 95 -4.812 -7.903 -3.312 808 1HB TYR 95 2HB TYR 95 -2.876 -8.032 -1.049 809 2HB TYR 95 1HB TYR 95 -2.640 -6.744 -2.230 810 HD1 TYR 95 HD1 TYR 95 -3.974 -4.804 -2.168 811 HD2 TYR 95 HD2 TYR 95 -5.248 -8.327 -0.061 812 HE1 TYR 95 HE1 TYR 95 -5.833 -3.519 -1.145 813 HE2 TYR 95 HE2 TYR 95 -7.108 -7.041 0.961 814 HH TYR 95 HH TYR 95 -8.450 -4.912 0.299 815 H VAL 96 H VAL 96 -3.769 -7.119 -5.154 816 HA VAL 96 HA VAL 96 -1.102 -8.257 -5.822 817 HB VAL 96 HB VAL 96 -3.562 -8.420 -7.585 818 1HG1 VAL 96 1HG1 VAL 96 -1.795 -7.883 -9.063 819 2HG1 VAL 96 2HG1 VAL 96 -1.859 -9.645 -9.100 820 3HG1 VAL 96 3HG1 VAL 96 -0.624 -8.826 -8.143 821 1HG2 VAL 96 1HG2 VAL 96 -2.641 -10.907 -7.524 822 2HG2 VAL 96 2HG2 VAL 96 -3.664 -10.302 -6.221 823 3HG2 VAL 96 3HG2 VAL 96 -1.914 -10.369 -6.009 824 H ASP 97 H ASP 97 -0.099 -7.086 -7.688 825 HA ASP 97 HA ASP 97 -0.941 -4.226 -7.656 826 1HB ASP 97 2HB ASP 97 1.664 -5.619 -8.294 827 2HB ASP 97 1HB ASP 97 1.383 -3.936 -8.740 828 H LEU 98 H LEU 98 -0.960 -3.060 -9.750 829 HA LEU 98 HA LEU 98 -1.195 -4.840 -12.125 830 1HB LEU 98 2HB LEU 98 -3.402 -3.795 -10.742 831 2HB LEU 98 1HB LEU 98 -3.223 -2.768 -12.163 832 HG LEU 98 HG LEU 98 -4.675 -4.819 -12.505 833 1HD1 LEU 98 1HD1 LEU 98 -3.217 -5.519 -14.610 834 2HD1 LEU 98 2HD1 LEU 98 -2.258 -4.120 -14.129 835 3HD1 LEU 98 3HD1 LEU 98 -3.965 -3.924 -14.522 836 1HD2 LEU 98 1HD2 LEU 98 -2.824 -6.170 -11.123 837 2HD2 LEU 98 2HD2 LEU 98 -2.163 -6.423 -12.738 838 3HD2 LEU 98 3HD2 LEU 98 -3.802 -6.955 -12.362 839 H ARG 99 H ARG 99 -0.418 -3.962 -13.967 840 HA ARG 99 HA ARG 99 0.275 -1.052 -13.949 841 1HB ARG 99 2HB ARG 99 2.321 -2.376 -13.828 842 2HB ARG 99 1HB ARG 99 1.787 -3.383 -15.174 843 1HG ARG 99 2HG ARG 99 1.607 -0.721 -16.091 844 2HG ARG 99 1HG ARG 99 3.152 -0.836 -15.249 845 1HD ARG 99 2HD ARG 99 2.224 -2.835 -17.327 846 2HD ARG 99 1HD ARG 99 3.265 -1.459 -17.692 847 HE ARG 99 HE ARG 99 4.114 -3.452 -15.640 848 1HH1 ARG 99 2HH1 ARG 99 4.282 -2.782 -18.939 849 2HH1 ARG 99 1HH1 ARG 99 6.009 -2.853 -19.039 850 1HH2 ARG 99 1HH2 ARG 99 6.464 -3.101 -15.611 851 2HH2 ARG 99 2HH2 ARG 99 7.244 -3.034 -17.156 852 H ARG 100 H ARG 100 -1.069 -0.046 -15.373 853 HA ARG 100 HA ARG 100 -2.544 -1.468 -17.403 854 1HB ARG 100 2HB ARG 100 -2.425 1.232 -16.338 855 2HB ARG 100 1HB ARG 100 -2.557 1.250 -18.098 856 1HG ARG 100 2HG ARG 100 -4.327 -0.761 -17.265 857 2HG ARG 100 1HG ARG 100 -4.570 0.559 -16.122 858 1HD ARG 100 2HD ARG 100 -4.421 1.928 -18.486 859 2HD ARG 100 1HD ARG 100 -5.192 0.429 -19.004 860 HE ARG 100 HE ARG 100 -6.659 1.080 -16.792 861 1HH1 ARG 100 1HH2 ARG 100 -7.533 1.513 -19.710 862 2HH1 ARG 100 2HH2 ARG 100 -8.028 3.171 -19.651 863 1HH2 ARG 100 2HH1 ARG 100 -6.458 3.811 -16.627 864 2HH2 ARG 100 1HH1 ARG 100 -7.418 4.473 -17.909 865 H PHE 101 H PHE 101 -2.413 -0.929 -19.753 866 HA PHE 101 HA PHE 101 0.284 -0.082 -20.667 867 1HB PHE 101 2HB PHE 101 -0.179 -2.727 -20.416 868 2HB PHE 101 1HB PHE 101 -0.873 -2.471 -22.017 869 HD1 PHE 101 HD1 PHE 101 2.196 -2.479 -20.016 870 HD2 PHE 101 HD2 PHE 101 0.515 -1.615 -23.876 871 HE1 PHE 101 HE1 PHE 101 4.476 -2.418 -20.996 872 HE2 PHE 101 HE2 PHE 101 2.795 -1.555 -24.855 873 HZ PHE 101 HZ PHE 101 4.775 -1.956 -23.415 874 H PHE 102 HN PHE 102 -1.409 1.733 -21.097 875 HA PHE 102 HA PHE 102 -2.594 1.258 -23.804 876 1HB PHE 102 2HB PHE 102 -4.340 1.489 -22.041 877 2HB PHE 102 1HB PHE 102 -3.682 3.072 -21.627 878 HD1 PHE 102 HD1 PHE 102 -3.937 4.983 -23.126 879 HD2 PHE 102 HD2 PHE 102 -5.509 1.121 -24.166 880 HE1 PHE 102 HE1 PHE 102 -5.281 6.017 -24.938 881 HE2 PHE 102 HE2 PHE 102 -6.852 2.155 -25.978 882 HZ PHE 102 HZ PHE 102 -6.738 4.604 -26.363 Start of MODEL 13 1 1H MET 1 1H MET 1 -3.653 -41.387 -27.322 2 2H MET 1 2H MET 1 -4.494 -42.661 -26.575 3 3H MET 1 3H MET 1 -3.985 -41.324 -25.660 4 HA MET 1 HA MET 1 -6.404 -41.339 -26.218 5 1HB MET 1 2HB MET 1 -6.185 -38.906 -27.252 6 2HB MET 1 1HB MET 1 -5.685 -39.223 -25.591 7 1HG MET 1 2HG MET 1 -3.355 -39.666 -26.484 8 2HG MET 1 1HG MET 1 -3.915 -39.058 -28.042 9 1HE MET 1 1HE MET 1 -5.247 -35.554 -27.145 10 2HE MET 1 2HE MET 1 -6.136 -36.813 -26.290 11 3HE MET 1 3HE MET 1 -5.611 -37.086 -27.950 12 H THR 2 H THR 2 -7.605 -39.982 -28.184 13 HA THR 2 HA THR 2 -6.668 -40.827 -30.828 14 HB THR 2 HB THR 2 -9.364 -41.895 -30.078 15 HG1 THR 2 HG1 THR 2 -8.046 -42.720 -28.473 16 1HG2 THR 2 1HG2 THR 2 -9.148 -42.596 -32.205 17 2HG2 THR 2 2HG2 THR 2 -7.873 -43.681 -31.651 18 3HG2 THR 2 3HG2 THR 2 -7.464 -42.075 -32.257 19 H VAL 3 H VAL 3 -7.503 -39.458 -32.369 20 HA VAL 3 HA VAL 3 -9.944 -37.893 -31.680 21 HB VAL 3 HB VAL 3 -8.897 -35.820 -32.399 22 1HG1 VAL 3 1HG1 VAL 3 -7.464 -37.472 -30.337 23 2HG1 VAL 3 2HG1 VAL 3 -8.503 -36.063 -30.109 24 3HG1 VAL 3 3HG1 VAL 3 -6.864 -35.860 -30.729 25 1HG2 VAL 3 1HG2 VAL 3 -7.443 -36.712 -34.145 26 2HG2 VAL 3 2HG2 VAL 3 -6.478 -37.568 -32.943 27 3HG2 VAL 3 3HG2 VAL 3 -6.466 -35.805 -32.989 28 H ILE 4 H ILE 4 -11.342 -37.786 -33.401 29 HA ILE 4 HA ILE 4 -10.248 -38.554 -36.080 30 HB ILE 4 HB ILE 4 -13.129 -38.941 -35.297 31 1HG1 ILE 4 2HG1 ILE 4 -11.674 -41.401 -35.097 32 2HG1 ILE 4 1HG1 ILE 4 -10.908 -40.221 -34.034 33 1HG2 ILE 4 1HG2 ILE 4 -11.532 -40.768 -37.041 34 2HG2 ILE 4 2HG2 ILE 4 -11.941 -39.175 -37.676 35 3HG2 ILE 4 3HG2 ILE 4 -13.221 -40.280 -37.177 36 1HD1 ILE 4 1HD1 ILE 4 -13.223 -41.681 -33.476 37 2HD1 ILE 4 2HD1 ILE 4 -13.815 -40.072 -33.886 38 3HD1 ILE 4 3HD1 ILE 4 -12.640 -40.275 -32.587 39 H LYS 5 H LYS 5 -10.666 -35.852 -34.768 40 HA LYS 5 HA LYS 5 -12.889 -34.470 -35.751 41 1HB LYS 5 2HB LYS 5 -10.413 -33.779 -34.610 42 2HB LYS 5 1HB LYS 5 -10.492 -32.885 -36.128 43 1HG LYS 5 2HG LYS 5 -13.008 -32.469 -35.262 44 2HG LYS 5 1HG LYS 5 -12.200 -32.652 -33.704 45 1HD LYS 5 2HD LYS 5 -12.043 -30.335 -34.185 46 2HD LYS 5 1HD LYS 5 -10.459 -30.984 -34.612 47 1HE LYS 5 2HE LYS 5 -11.520 -31.299 -36.987 48 2HE LYS 5 1HE LYS 5 -12.690 -30.107 -36.424 49 1HZ LYS 5 1HZ LYS 5 -10.652 -29.226 -37.593 50 2HZ LYS 5 2HZ LYS 5 -9.770 -29.678 -36.213 51 3HZ LYS 5 3HZ LYS 5 -11.012 -28.527 -36.091 52 HA PRO 6 HA PRO 6 -10.638 -33.812 -39.913 53 1HB PRO 6 2HB PRO 6 -8.282 -35.173 -40.312 54 2HB PRO 6 1HB PRO 6 -8.371 -33.547 -39.612 55 1HG PRO 6 2HG PRO 6 -7.831 -36.147 -38.256 56 2HG PRO 6 1HG PRO 6 -7.342 -34.512 -37.782 57 1HD PRO 6 2HD PRO 6 -9.479 -35.998 -36.669 58 2HD PRO 6 1HD PRO 6 -9.178 -34.263 -36.431 59 H SER 7 H SER 7 -11.578 -34.933 -41.584 60 HA SER 7 HA SER 7 -11.293 -37.891 -41.684 61 1HB SER 7 2HB SER 7 -13.856 -36.339 -41.442 62 2HB SER 7 1HB SER 7 -13.835 -37.854 -42.339 63 HG SER 7 HG SER 7 -14.191 -38.524 -40.324 64 H SER 8 H SER 8 -9.830 -37.027 -43.461 65 HA SER 8 HA SER 8 -9.433 -36.751 -45.757 66 1HB SER 8 2HB SER 8 -12.289 -37.215 -46.456 67 2HB SER 8 1HB SER 8 -10.832 -37.903 -47.169 68 HG SER 8 HG SER 8 -10.629 -39.086 -45.135 69 H ARG 9 H ARG 9 -9.485 -35.006 -47.185 70 HA ARG 9 HA ARG 9 -11.534 -32.904 -46.603 71 1HB ARG 9 2HB ARG 9 -9.013 -32.560 -45.886 72 2HB ARG 9 1HB ARG 9 -8.793 -32.197 -47.597 73 1HG ARG 9 2HG ARG 9 -10.435 -30.426 -47.504 74 2HG ARG 9 1HG ARG 9 -10.888 -30.870 -45.858 75 1HD ARG 9 2HD ARG 9 -8.895 -30.050 -44.945 76 2HD ARG 9 1HD ARG 9 -8.036 -30.154 -46.481 77 HE ARG 9 HE ARG 9 -9.209 -28.129 -47.205 78 1HH1 ARG 9 1HH2 ARG 9 -10.434 -29.234 -44.226 79 2HH1 ARG 9 2HH2 ARG 9 -10.674 -27.653 -43.562 80 1HH2 ARG 9 2HH1 ARG 9 -9.196 -26.016 -46.239 81 2HH2 ARG 9 1HH1 ARG 9 -9.975 -25.831 -44.703 82 HA PRO 10 HA PRO 10 -11.777 -33.939 -51.061 83 1HB PRO 10 2HB PRO 10 -14.526 -33.943 -51.116 84 2HB PRO 10 1HB PRO 10 -13.554 -35.369 -50.712 85 1HG PRO 10 2HG PRO 10 -15.134 -33.602 -48.902 86 2HG PRO 10 1HG PRO 10 -14.698 -35.307 -48.705 87 1HD PRO 10 2HD PRO 10 -13.444 -33.121 -47.421 88 2HD PRO 10 1HD PRO 10 -12.814 -34.779 -47.508 89 H ARG 11 H ARG 11 -14.427 -31.948 -49.702 90 HA ARG 11 HA ARG 11 -13.369 -29.610 -51.205 91 1HB ARG 11 2HB ARG 11 -15.884 -31.069 -51.720 92 2HB ARG 11 1HB ARG 11 -16.065 -29.320 -51.578 93 1HG ARG 11 2HG ARG 11 -14.135 -29.091 -53.207 94 2HG ARG 11 1HG ARG 11 -14.250 -30.831 -53.474 95 1HD ARG 11 2HD ARG 11 -16.686 -29.077 -53.740 96 2HD ARG 11 1HD ARG 11 -15.554 -29.253 -55.080 97 HE ARG 11 HE ARG 11 -16.890 -31.620 -53.830 98 1HH1 ARG 11 1HH2 ARG 11 -16.792 -29.511 -56.478 99 2HH1 ARG 11 2HH2 ARG 11 -16.859 -30.756 -57.679 100 1HH2 ARG 11 2HH1 ARG 11 -16.562 -33.346 -55.393 101 2HH2 ARG 11 1HH1 ARG 11 -16.728 -32.927 -57.066 102 HA PRO 12 HA PRO 12 -14.503 -27.632 -47.429 103 1HB PRO 12 2HB PRO 12 -14.227 -25.040 -48.302 104 2HB PRO 12 1HB PRO 12 -12.855 -26.094 -47.919 105 1HG PRO 12 2HG PRO 12 -13.876 -25.240 -50.586 106 2HG PRO 12 1HG PRO 12 -12.241 -25.735 -50.116 107 1HD PRO 12 2HD PRO 12 -14.138 -27.338 -51.484 108 2HD PRO 12 1HD PRO 12 -12.630 -27.907 -50.734 109 H ARG 13 H ARG 13 -16.793 -28.279 -47.496 110 HA ARG 13 HA ARG 13 -18.582 -25.998 -47.880 111 1HB ARG 13 2HB ARG 13 -18.320 -27.137 -50.174 112 2HB ARG 13 1HB ARG 13 -19.203 -28.491 -49.469 113 1HG ARG 13 2HG ARG 13 -21.105 -27.071 -48.975 114 2HG ARG 13 1HG ARG 13 -20.216 -25.635 -49.483 115 1HD ARG 13 2HD ARG 13 -21.311 -26.029 -51.458 116 2HD ARG 13 1HD ARG 13 -19.951 -27.122 -51.716 117 HE ARG 13 HE ARG 13 -21.830 -28.674 -50.380 118 1HH1 ARG 13 1HH2 ARG 13 -22.865 -26.347 -52.519 119 2HH1 ARG 13 2HH2 ARG 13 -23.545 -27.441 -53.677 120 1HH2 ARG 13 2HH1 ARG 13 -22.221 -30.272 -52.176 121 2HH2 ARG 13 1HH1 ARG 13 -23.180 -29.662 -53.483 122 H LYS 14 H LYS 14 -18.649 -26.586 -45.532 123 HA LYS 14 HA LYS 14 -20.894 -28.424 -45.038 124 1HB LYS 14 2HB LYS 14 -19.683 -29.735 -43.341 125 2HB LYS 14 1HB LYS 14 -18.916 -29.912 -44.920 126 1HG LYS 14 2HG LYS 14 -16.987 -29.054 -44.142 127 2HG LYS 14 1HG LYS 14 -17.824 -27.619 -43.545 128 1HD LYS 14 2HD LYS 14 -18.582 -29.084 -41.573 129 2HD LYS 14 1HD LYS 14 -17.356 -30.234 -42.110 130 1HE LYS 14 2HE LYS 14 -15.590 -28.692 -41.746 131 2HE LYS 14 1HE LYS 14 -16.700 -27.326 -41.628 132 1HZ LYS 14 1HZ LYS 14 -17.627 -28.857 -39.677 133 2HZ LYS 14 2HZ LYS 14 -16.412 -27.694 -39.438 134 3HZ LYS 14 3HZ LYS 14 -15.998 -29.329 -39.638 135 H ASN 15 H ASN 15 -21.203 -25.827 -44.721 136 HA ASN 15 HA ASN 15 -21.924 -24.275 -43.101 137 1HB ASN 15 2HB ASN 15 -20.930 -26.034 -40.883 138 2HB ASN 15 1HB ASN 15 -22.379 -25.027 -40.947 139 1HD2 ASN 15 1HD2 ASN 15 -22.397 -27.855 -40.211 140 2HD2 ASN 15 2HD2 ASN 15 -23.298 -28.676 -41.392 141 H LYS 16 H LYS 16 -20.509 -22.579 -43.261 142 HA LYS 16 HA LYS 16 -17.692 -22.859 -42.542 143 1HB LYS 16 2HB LYS 16 -19.446 -20.650 -43.563 144 2HB LYS 16 1HB LYS 16 -17.891 -20.235 -42.840 145 1HG LYS 16 2HG LYS 16 -16.915 -22.068 -44.394 146 2HG LYS 16 1HG LYS 16 -18.436 -21.926 -45.275 147 1HD LYS 16 2HD LYS 16 -17.279 -19.318 -44.655 148 2HD LYS 16 1HD LYS 16 -16.194 -20.315 -45.625 149 1HE LYS 16 2HE LYS 16 -18.803 -20.663 -46.692 150 2HE LYS 16 1HE LYS 16 -18.569 -18.930 -46.460 151 1HZ LYS 16 1HZ LYS 16 -16.200 -19.988 -47.487 152 2HZ LYS 16 2HZ LYS 16 -17.278 -18.911 -48.237 153 3HZ LYS 16 3HZ LYS 16 -17.470 -20.587 -48.438 154 H ASN 17 H ASN 17 -17.152 -22.970 -40.407 155 HA ASN 17 HA ASN 17 -17.926 -20.807 -38.610 156 1HB ASN 17 2HB ASN 17 -19.318 -23.413 -38.537 157 2HB ASN 17 1HB ASN 17 -18.707 -22.858 -36.978 158 1HD2 ASN 17 1HD2 ASN 17 -19.262 -20.421 -36.510 159 2HD2 ASN 17 2HD2 ASN 17 -20.812 -19.906 -36.972 160 H ILE 18 H ILE 18 -16.709 -20.902 -36.598 161 HA ILE 18 HA ILE 18 -14.546 -22.962 -36.564 162 HB ILE 18 HB ILE 18 -12.884 -21.285 -36.075 163 1HG1 ILE 18 2HG1 ILE 18 -15.084 -19.205 -36.240 164 2HG1 ILE 18 1HG1 ILE 18 -14.485 -19.861 -34.717 165 1HG2 ILE 18 1HG2 ILE 18 -12.695 -20.860 -38.274 166 2HG2 ILE 18 2HG2 ILE 18 -13.972 -19.650 -38.167 167 3HG2 ILE 18 3HG2 ILE 18 -14.379 -21.334 -38.494 168 1HD1 ILE 18 1HD1 ILE 18 -12.455 -18.787 -34.891 169 2HD1 ILE 18 2HD1 ILE 18 -13.437 -17.650 -35.816 170 3HD1 ILE 18 3HD1 ILE 18 -12.456 -18.852 -36.654 171 H LYS 19 H LYS 19 -13.259 -22.227 -34.261 172 HA LYS 19 HA LYS 19 -14.878 -21.398 -32.083 173 1HB LYS 19 2HB LYS 19 -16.230 -23.391 -32.616 174 2HB LYS 19 1HB LYS 19 -14.795 -24.406 -32.469 175 1HG LYS 19 2HG LYS 19 -14.637 -24.067 -30.148 176 2HG LYS 19 1HG LYS 19 -15.640 -22.617 -30.199 177 1HD LYS 19 2HD LYS 19 -17.377 -24.461 -31.202 178 2HD LYS 19 1HD LYS 19 -16.445 -25.463 -30.089 179 1HE LYS 19 2HE LYS 19 -16.875 -23.164 -28.616 180 2HE LYS 19 1HE LYS 19 -18.387 -23.341 -29.509 181 1HZ LYS 19 1HZ LYS 19 -18.060 -25.831 -28.763 182 2HZ LYS 19 2HZ LYS 19 -18.822 -24.691 -27.757 183 3HZ LYS 19 3HZ LYS 19 -17.192 -25.098 -27.502 184 H VAL 20 H VAL 20 -13.848 -22.052 -29.949 185 HA VAL 20 HA VAL 20 -11.074 -23.059 -30.235 186 HB VAL 20 HB VAL 20 -11.804 -20.380 -29.015 187 1HG1 VAL 20 1HG1 VAL 20 -9.985 -21.956 -27.912 188 2HG1 VAL 20 2HG1 VAL 20 -9.655 -20.238 -28.135 189 3HG1 VAL 20 3HG1 VAL 20 -9.002 -21.416 -29.273 190 1HG2 VAL 20 1HG2 VAL 20 -10.453 -19.439 -30.773 191 2HG2 VAL 20 2HG2 VAL 20 -11.573 -20.564 -31.540 192 3HG2 VAL 20 3HG2 VAL 20 -9.895 -21.035 -31.275 193 H ASN 21 H ASN 21 -10.952 -24.656 -28.745 194 HA ASN 21 HA ASN 21 -12.450 -24.294 -26.182 195 1HB ASN 21 2HB ASN 21 -11.702 -26.782 -27.733 196 2HB ASN 21 1HB ASN 21 -12.269 -26.838 -26.064 197 1HD2 ASN 21 1HD2 ASN 21 -14.413 -27.570 -26.224 198 2HD2 ASN 21 2HD2 ASN 21 -15.588 -26.881 -27.237 199 H THR 22 H THR 22 -11.361 -25.436 -24.291 200 HA THR 22 HA THR 22 -8.692 -24.453 -23.963 201 HB THR 22 HB THR 22 -9.404 -26.692 -22.206 202 HG1 THR 22 HG1 THR 22 -11.090 -24.425 -22.213 203 1HG2 THR 22 1HG2 THR 22 -8.448 -25.329 -20.658 204 2HG2 THR 22 2HG2 THR 22 -9.345 -23.915 -21.212 205 3HG2 THR 22 3HG2 THR 22 -7.887 -24.423 -22.064 206 H TYR 23 H TYR 23 -6.697 -25.555 -24.007 207 HA TYR 23 HA TYR 23 -6.683 -27.985 -25.689 208 1HB TYR 23 2HB TYR 23 -5.039 -25.767 -25.571 209 2HB TYR 23 1HB TYR 23 -4.095 -26.992 -24.721 210 HD1 TYR 23 HD1 TYR 23 -2.872 -28.576 -25.941 211 HD2 TYR 23 HD2 TYR 23 -6.124 -26.502 -27.835 212 HE1 TYR 23 HE1 TYR 23 -2.283 -29.631 -28.108 213 HE2 TYR 23 HE2 TYR 23 -5.534 -27.557 -30.003 214 HH TYR 23 HH TYR 23 -3.329 -30.171 -30.233 215 H ARG 24 H ARG 24 -4.781 -29.578 -24.972 216 HA ARG 24 HA ARG 24 -5.611 -30.679 -22.412 217 1HB ARG 24 2HB ARG 24 -4.932 -32.094 -24.351 218 2HB ARG 24 1HB ARG 24 -3.285 -31.482 -24.187 219 1HG ARG 24 2HG ARG 24 -3.815 -32.279 -21.622 220 2HG ARG 24 1HG ARG 24 -4.723 -33.474 -22.551 221 1HD ARG 24 2HD ARG 24 -2.836 -34.496 -23.256 222 2HD ARG 24 1HD ARG 24 -2.088 -32.962 -23.702 223 HE ARG 24 HE ARG 24 -1.996 -33.056 -20.903 224 1HH1 ARG 24 1HH2 ARG 24 -1.496 -35.785 -22.759 225 2HH1 ARG 24 2HH2 ARG 24 0.159 -36.015 -22.307 226 1HH2 ARG 24 2HH1 ARG 24 0.414 -32.973 -20.664 227 2HH2 ARG 24 1HH1 ARG 24 1.241 -34.424 -21.123 228 H THR 25 H THR 25 -2.768 -28.936 -23.617 229 HA THR 25 HA THR 25 -1.297 -29.216 -21.122 230 HB THR 25 HB THR 25 0.083 -27.303 -22.192 231 HG1 THR 25 HG1 THR 25 -1.470 -26.554 -23.614 232 1HG2 THR 25 1HG2 THR 25 -0.208 -29.786 -23.886 233 2HG2 THR 25 2HG2 THR 25 0.521 -29.825 -22.280 234 3HG2 THR 25 3HG2 THR 25 1.255 -28.857 -23.559 235 H SER 26 H SER 26 -1.681 -28.053 -19.302 236 HA SER 26 HA SER 26 -3.671 -25.958 -19.241 237 1HB SER 26 2HB SER 26 -2.439 -25.656 -16.867 238 2HB SER 26 1HB SER 26 -3.581 -26.961 -17.176 239 HG SER 26 HG SER 26 -1.957 -28.211 -16.727 240 H ALA 27 H ALA 27 -3.385 -23.792 -19.529 241 HA ALA 27 HA ALA 27 -0.578 -22.806 -19.787 242 1HB ALA 27 1HB ALA 27 -1.593 -20.944 -21.103 243 2HB ALA 27 2HB ALA 27 -3.173 -21.702 -20.906 244 3HB ALA 27 3HB ALA 27 -1.908 -22.524 -21.820 245 H MET 28 H MET 28 0.087 -21.752 -17.979 246 HA MET 28 HA MET 28 -1.931 -20.471 -16.229 247 1HB MET 28 2HB MET 28 1.054 -20.773 -15.799 248 2HB MET 28 1HB MET 28 -0.150 -20.333 -14.587 249 1HG MET 28 2HG MET 28 -0.850 -22.810 -15.955 250 2HG MET 28 1HG MET 28 0.726 -22.917 -15.167 251 1HE MET 28 1HE MET 28 -2.785 -24.144 -13.191 252 2HE MET 28 2HE MET 28 -1.713 -24.669 -14.485 253 3HE MET 28 3HE MET 28 -2.908 -23.413 -14.798 254 H ASP 29 H ASP 29 -1.294 -18.284 -15.303 255 HA ASP 29 HA ASP 29 0.332 -16.612 -17.123 256 1HB ASP 29 2HB ASP 29 -2.609 -16.604 -17.019 257 2HB ASP 29 1HB ASP 29 -1.886 -15.010 -16.794 258 H LEU 30 H LEU 30 1.281 -17.089 -14.736 259 HA LEU 30 HA LEU 30 0.445 -14.761 -13.050 260 1HB LEU 30 2HB LEU 30 -0.035 -17.093 -12.109 261 2HB LEU 30 1HB LEU 30 1.713 -17.296 -11.997 262 HG LEU 30 HG LEU 30 0.852 -14.735 -10.905 263 1HD1 LEU 30 1HD1 LEU 30 -0.949 -15.379 -9.717 264 2HD1 LEU 30 2HD1 LEU 30 0.073 -16.534 -8.863 265 3HD1 LEU 30 3HD1 LEU 30 -0.796 -17.030 -10.317 266 1HD2 LEU 30 1HD2 LEU 30 2.442 -15.257 -9.277 267 2HD2 LEU 30 2HD2 LEU 30 3.023 -16.211 -10.643 268 3HD2 LEU 30 3HD2 LEU 30 2.100 -16.986 -9.355 269 H SER 31 H SER 31 2.011 -13.273 -13.616 270 HA SER 31 HA SER 31 4.699 -13.668 -12.644 271 1HB SER 31 2HB SER 31 5.508 -13.152 -15.186 272 2HB SER 31 1HB SER 31 5.452 -14.772 -14.498 273 HG SER 31 HG SER 31 3.768 -13.526 -16.335 274 HA PRO 32 HA PRO 32 4.594 -9.285 -12.847 275 1HB PRO 32 2HB PRO 32 7.273 -8.710 -13.082 276 2HB PRO 32 1HB PRO 32 6.522 -9.284 -11.581 277 1HG PRO 32 2HG PRO 32 8.259 -10.768 -13.499 278 2HG PRO 32 1HG PRO 32 8.014 -11.040 -11.766 279 1HD PRO 32 2HD PRO 32 6.841 -12.539 -13.863 280 2HD PRO 32 1HD PRO 32 6.358 -12.579 -12.153 281 H GLY 33 H GLY 33 3.538 -9.025 -14.935 282 1HA GLY 33 2HA GLY 33 3.995 -7.446 -16.851 283 2HA GLY 33 1HA GLY 33 5.434 -8.417 -17.170 284 H SER 34 H SER 34 1.893 -8.822 -16.836 285 HA SER 34 HA SER 34 2.000 -10.609 -19.218 286 1HB SER 34 2HB SER 34 1.667 -12.351 -17.788 287 2HB SER 34 1HB SER 34 1.162 -11.295 -16.471 288 HG SER 34 HG SER 34 -0.510 -12.682 -17.381 289 H VAL 35 H VAL 35 -0.357 -11.009 -19.996 290 HA VAL 35 HA VAL 35 -1.913 -8.476 -19.646 291 HB VAL 35 HB VAL 35 -2.713 -8.933 -22.018 292 1HG1 VAL 35 1HG1 VAL 35 0.025 -8.565 -22.652 293 2HG1 VAL 35 2HG1 VAL 35 -0.223 -7.844 -21.061 294 3HG1 VAL 35 3HG1 VAL 35 -1.200 -7.317 -22.432 295 1HG2 VAL 35 1HG2 VAL 35 -2.085 -11.308 -22.110 296 2HG2 VAL 35 2HG2 VAL 35 -0.386 -10.879 -21.909 297 3HG2 VAL 35 3HG2 VAL 35 -1.246 -10.410 -23.376 298 H HIS 36 H HIS 36 -3.971 -8.781 -18.911 299 HA HIS 36 HA HIS 36 -5.378 -11.310 -19.517 300 1HB HIS 36 2HB HIS 36 -4.000 -11.052 -17.111 301 2HB HIS 36 1HB HIS 36 -5.659 -10.629 -16.687 302 HD1 HIS 36 HD1 HIS 36 -4.291 -13.245 -19.115 303 HD2 HIS 36 HD2 HIS 36 -6.810 -12.975 -15.804 304 HE1 HIS 36 HE1 HIS 36 -5.237 -15.565 -18.743 305 H GLU 37 H GLU 37 -7.700 -11.160 -18.714 306 HA GLU 37 HA GLU 37 -8.639 -8.355 -19.054 307 1HB GLU 37 2HB GLU 37 -10.184 -10.962 -19.228 308 2HB GLU 37 1HB GLU 37 -10.815 -9.359 -19.604 309 1HG GLU 37 2HG GLU 37 -8.316 -10.012 -21.014 310 2HG GLU 37 1HG GLU 37 -9.672 -11.057 -21.441 311 H GLY 38 H GLY 38 -9.646 -7.311 -17.380 312 1HA GLY 38 2HA GLY 38 -10.685 -8.898 -15.101 313 2HA GLY 38 1HA GLY 38 -9.423 -7.714 -14.757 314 H ILE 39 H ILE 39 -11.658 -7.187 -13.441 315 HA ILE 39 HA ILE 39 -13.337 -5.368 -15.084 316 HB ILE 39 HB ILE 39 -13.581 -6.429 -12.255 317 1HG1 ILE 39 2HG1 ILE 39 -15.814 -7.202 -13.299 318 2HG1 ILE 39 1HG1 ILE 39 -15.079 -6.806 -14.853 319 1HG2 ILE 39 1HG2 ILE 39 -15.672 -5.141 -12.097 320 2HG2 ILE 39 2HG2 ILE 39 -15.370 -4.440 -13.686 321 3HG2 ILE 39 3HG2 ILE 39 -14.301 -4.058 -12.337 322 1HD1 ILE 39 1HD1 ILE 39 -14.787 -9.213 -14.173 323 2HD1 ILE 39 2HD1 ILE 39 -13.811 -8.654 -12.814 324 3HD1 ILE 39 3HD1 ILE 39 -13.269 -8.364 -14.467 325 H VAL 40 H VAL 40 -13.706 -3.133 -14.234 326 HA VAL 40 HA VAL 40 -11.213 -2.146 -12.903 327 HB VAL 40 HB VAL 40 -13.125 -0.503 -14.576 328 1HG1 VAL 40 1HG1 VAL 40 -11.764 1.012 -13.479 329 2HG1 VAL 40 2HG1 VAL 40 -10.738 0.656 -14.867 330 3HG1 VAL 40 3HG1 VAL 40 -10.435 -0.136 -13.321 331 1HG2 VAL 40 1HG2 VAL 40 -10.562 -1.315 -15.781 332 2HG2 VAL 40 2HG2 VAL 40 -12.169 -1.246 -16.502 333 3HG2 VAL 40 3HG2 VAL 40 -11.692 -2.649 -15.546 334 H TYR 41 H TYR 41 -11.566 -0.087 -11.623 335 HA TYR 41 HA TYR 41 -14.243 0.339 -10.517 336 1HB TYR 41 2HB TYR 41 -12.971 -1.671 -9.301 337 2HB TYR 41 1HB TYR 41 -12.186 -0.336 -8.457 338 HD1 TYR 41 HD1 TYR 41 -15.675 -0.806 -9.759 339 HD2 TYR 41 HD2 TYR 41 -13.161 -0.074 -6.350 340 HE1 TYR 41 HE1 TYR 41 -17.688 -0.515 -8.336 341 HE2 TYR 41 HE2 TYR 41 -15.174 0.216 -4.928 342 HH TYR 41 HH TYR 41 -17.498 0.728 -5.114 343 H PHE 42 H PHE 42 -14.330 2.326 -9.318 344 HA PHE 42 HA PHE 42 -11.924 4.032 -9.747 345 1HB PHE 42 2HB PHE 42 -13.955 4.866 -10.805 346 2HB PHE 42 1HB PHE 42 -14.831 4.755 -9.279 347 HD1 PHE 42 HD1 PHE 42 -11.751 6.313 -10.751 348 HD2 PHE 42 HD2 PHE 42 -14.940 6.627 -7.889 349 HE1 PHE 42 HE1 PHE 42 -10.981 8.592 -10.143 350 HE2 PHE 42 HE2 PHE 42 -14.169 8.905 -7.278 351 HZ PHE 42 HZ PHE 42 -12.190 9.888 -8.406 352 H LYS 43 H LYS 43 -10.707 4.452 -7.974 353 HA LYS 43 HA LYS 43 -12.010 4.216 -5.297 354 1HB LYS 43 2HB LYS 43 -9.803 2.909 -6.170 355 2HB LYS 43 1HB LYS 43 -9.050 4.358 -5.502 356 1HG LYS 43 2HG LYS 43 -10.930 3.693 -3.579 357 2HG LYS 43 1HG LYS 43 -10.333 2.122 -4.111 358 1HD LYS 43 2HD LYS 43 -7.999 2.935 -3.776 359 2HD LYS 43 1HD LYS 43 -8.648 4.447 -3.138 360 1HE LYS 43 2HE LYS 43 -9.723 1.961 -1.922 361 2HE LYS 43 1HE LYS 43 -8.035 2.328 -1.567 362 1HZ LYS 43 1HZ LYS 43 -8.674 3.901 -0.170 363 2HZ LYS 43 2HZ LYS 43 -10.296 3.472 -0.434 364 3HZ LYS 43 3HZ LYS 43 -9.569 4.681 -1.380 365 H ASP 44 H ASP 44 -11.005 5.749 -3.626 366 HA ASP 44 HA ASP 44 -11.040 8.467 -4.768 367 1HB ASP 44 2HB ASP 44 -12.366 8.134 -2.782 368 2HB ASP 44 1HB ASP 44 -11.000 7.418 -1.927 369 H GLY 45 H GLY 45 -8.678 6.266 -4.531 370 1HA GLY 45 2HA GLY 45 -6.621 8.361 -3.973 371 2HA GLY 45 1HA GLY 45 -6.447 6.736 -3.312 372 H ILE 46 H ILE 46 -7.527 5.426 -5.714 373 HA ILE 46 HA ILE 46 -5.830 6.199 -7.951 374 HB ILE 46 HB ILE 46 -4.383 4.937 -6.149 375 1HG1 ILE 46 2HG1 ILE 46 -3.607 3.519 -8.425 376 2HG1 ILE 46 1HG1 ILE 46 -4.419 4.950 -9.061 377 1HG2 ILE 46 1HG2 ILE 46 -5.120 2.451 -7.566 378 2HG2 ILE 46 2HG2 ILE 46 -6.328 3.039 -6.424 379 3HG2 ILE 46 3HG2 ILE 46 -4.687 2.699 -5.875 380 1HD1 ILE 46 1HD1 ILE 46 -2.856 6.393 -8.196 381 2HD1 ILE 46 2HD1 ILE 46 -1.825 4.970 -8.351 382 3HD1 ILE 46 3HD1 ILE 46 -2.540 5.373 -6.791 383 H PHE 47 H PHE 47 -5.786 3.411 -9.014 384 HA PHE 47 HA PHE 47 -8.719 3.209 -9.547 385 1HB PHE 47 2HB PHE 47 -6.393 3.130 -11.256 386 2HB PHE 47 1HB PHE 47 -7.296 1.619 -11.401 387 HD1 PHE 47 HD1 PHE 47 -9.766 1.695 -11.916 388 HD2 PHE 47 HD2 PHE 47 -7.253 5.173 -12.143 389 HE1 PHE 47 HE1 PHE 47 -11.488 2.851 -13.279 390 HE2 PHE 47 HE2 PHE 47 -8.975 6.328 -13.507 391 HZ PHE 47 HZ PHE 47 -11.092 5.167 -14.074 392 H LYS 48 H LYS 48 -9.510 0.917 -9.910 393 HA LYS 48 HA LYS 48 -7.935 -1.049 -8.312 394 1HB LYS 48 2HB LYS 48 -10.321 0.221 -7.466 395 2HB LYS 48 1HB LYS 48 -10.754 -1.438 -7.882 396 1HG LYS 48 2HG LYS 48 -8.318 -1.668 -6.521 397 2HG LYS 48 1HG LYS 48 -9.222 -0.457 -5.611 398 1HD LYS 48 2HD LYS 48 -11.199 -2.048 -5.669 399 2HD LYS 48 1HD LYS 48 -10.099 -3.268 -6.311 400 1HE LYS 48 2HE LYS 48 -9.725 -3.759 -4.123 401 2HE LYS 48 1HE LYS 48 -8.672 -2.345 -4.167 402 1HZ LYS 48 1HZ LYS 48 -11.196 -2.703 -2.852 403 2HZ LYS 48 2HZ LYS 48 -11.137 -1.285 -3.786 404 3HZ LYS 48 3HZ LYS 48 -9.982 -1.553 -2.570 405 H VAL 49 H VAL 49 -8.227 -3.213 -8.921 406 HA VAL 49 HA VAL 49 -9.946 -3.706 -11.316 407 HB VAL 49 HB VAL 49 -7.089 -4.625 -10.857 408 1HG1 VAL 49 1HG1 VAL 49 -8.627 -6.382 -11.827 409 2HG1 VAL 49 2HG1 VAL 49 -7.298 -5.911 -12.888 410 3HG1 VAL 49 3HG1 VAL 49 -8.922 -5.287 -13.178 411 1HG2 VAL 49 1HG2 VAL 49 -7.257 -2.351 -11.737 412 2HG2 VAL 49 2HG2 VAL 49 -8.397 -2.884 -12.972 413 3HG2 VAL 49 3HG2 VAL 49 -6.721 -3.432 -13.023 414 H ARG 50 H ARG 50 -11.176 -5.554 -11.115 415 HA ARG 50 HA ARG 50 -10.559 -7.316 -8.776 416 1HB ARG 50 2HB ARG 50 -12.771 -5.925 -8.898 417 2HB ARG 50 1HB ARG 50 -13.273 -7.146 -10.069 418 1HG ARG 50 2HG ARG 50 -12.422 -8.834 -8.232 419 2HG ARG 50 1HG ARG 50 -12.661 -7.463 -7.148 420 1HD ARG 50 2HD ARG 50 -14.867 -8.032 -9.059 421 2HD ARG 50 1HD ARG 50 -14.636 -9.198 -7.757 422 HE ARG 50 HE ARG 50 -14.753 -7.120 -6.217 423 1HH1 ARG 50 2HH1 ARG 50 -17.005 -8.155 -8.431 424 2HH1 ARG 50 1HH1 ARG 50 -17.939 -6.697 -8.454 425 1HH2 ARG 50 1HH2 ARG 50 -15.632 -4.880 -6.607 426 2HH2 ARG 50 2HH2 ARG 50 -17.160 -4.841 -7.421 427 H LEU 51 H LEU 51 -9.929 -9.348 -9.317 428 HA LEU 51 HA LEU 51 -10.223 -10.249 -12.106 429 1HB LEU 51 2HB LEU 51 -8.391 -10.745 -9.993 430 2HB LEU 51 1HB LEU 51 -9.170 -12.283 -10.364 431 HG LEU 51 HG LEU 51 -8.065 -10.479 -12.522 432 1HD1 LEU 51 1HD1 LEU 51 -6.025 -10.969 -11.639 433 2HD1 LEU 51 2HD1 LEU 51 -6.300 -12.569 -12.329 434 3HD1 LEU 51 3HD1 LEU 51 -6.669 -12.266 -10.632 435 1HD2 LEU 51 1HD2 LEU 51 -8.194 -13.437 -12.757 436 2HD2 LEU 51 2HD2 LEU 51 -8.582 -12.196 -13.949 437 3HD2 LEU 51 3HD2 LEU 51 -9.748 -12.605 -12.691 438 H LEU 52 H LEU 52 -12.692 -10.183 -11.635 439 HA LEU 52 HA LEU 52 -14.059 -11.939 -9.961 440 1HB LEU 52 2HB LEU 52 -14.689 -10.397 -12.240 441 2HB LEU 52 1HB LEU 52 -15.256 -12.030 -12.590 442 HG LEU 52 HG LEU 52 -15.839 -11.169 -9.847 443 1HD1 LEU 52 1HD1 LEU 52 -17.261 -9.387 -10.252 444 2HD1 LEU 52 2HD1 LEU 52 -17.557 -9.868 -11.922 445 3HD1 LEU 52 3HD1 LEU 52 -16.041 -9.078 -11.488 446 1HD2 LEU 52 1HD2 LEU 52 -16.912 -13.126 -10.594 447 2HD2 LEU 52 2HD2 LEU 52 -17.271 -12.436 -12.176 448 3HD2 LEU 52 3HD2 LEU 52 -18.172 -11.903 -10.757 449 H GLY 53 H GLY 53 -14.699 -14.132 -10.108 450 1HA GLY 53 2HA GLY 53 -14.796 -16.272 -11.270 451 2HA GLY 53 1HA GLY 53 -13.453 -15.741 -12.283 452 H TYR 54 H TYR 54 -11.662 -14.818 -10.354 453 HA TYR 54 HA TYR 54 -10.646 -17.352 -9.323 454 1HB TYR 54 2HB TYR 54 -9.639 -14.632 -9.709 455 2HB TYR 54 1HB TYR 54 -9.106 -15.340 -8.184 456 HD1 TYR 54 HD1 TYR 54 -7.806 -14.790 -11.177 457 HD2 TYR 54 HD2 TYR 54 -8.929 -18.200 -8.814 458 HE1 TYR 54 HE1 TYR 54 -6.158 -16.182 -12.402 459 HE2 TYR 54 HE2 TYR 54 -7.281 -19.592 -10.039 460 HH TYR 54 HH TYR 54 -5.703 -19.630 -11.594 461 H GLU 55 H GLU 55 -12.675 -14.860 -8.123 462 HA GLU 55 HA GLU 55 -13.500 -14.405 -5.964 463 1HB GLU 55 2HB GLU 55 -13.458 -17.292 -6.404 464 2HB GLU 55 1HB GLU 55 -13.358 -16.881 -4.692 465 1HG GLU 55 2HG GLU 55 -15.309 -15.248 -6.147 466 2HG GLU 55 1HG GLU 55 -15.690 -16.970 -6.176 467 H GLY 56 H GLY 56 -11.785 -13.124 -5.126 468 1HA GLY 56 2HA GLY 56 -10.588 -13.120 -2.901 469 2HA GLY 56 1HA GLY 56 -9.840 -14.630 -3.422 470 H HIS 57 H HIS 57 -9.644 -13.481 -6.239 471 HA HIS 57 HA HIS 57 -7.012 -12.254 -5.841 472 1HB HIS 57 2HB HIS 57 -8.046 -13.846 -7.805 473 2HB HIS 57 1HB HIS 57 -8.170 -12.256 -8.560 474 HD1 HIS 57 HD1 HIS 57 -6.144 -14.063 -9.816 475 HD2 HIS 57 HD2 HIS 57 -5.194 -11.654 -6.549 476 HE1 HIS 57 HE1 HIS 57 -3.627 -13.783 -9.840 477 H GLU 58 H GLU 58 -7.482 -10.226 -4.883 478 HA GLU 58 HA GLU 58 -9.159 -8.347 -6.467 479 1HB GLU 58 2HB GLU 58 -9.528 -8.545 -3.991 480 2HB GLU 58 1HB GLU 58 -7.887 -7.950 -3.740 481 1HG GLU 58 2HG GLU 58 -8.794 -5.878 -3.764 482 2HG GLU 58 1HG GLU 58 -8.964 -6.101 -5.506 483 H CYS 59 H CYS 59 -7.984 -7.359 -8.050 484 HA CYS 59 HA CYS 59 -5.135 -6.705 -7.519 485 1HB CYS 59 2HB CYS 59 -6.631 -6.354 -10.124 486 2HB CYS 59 1HB CYS 59 -4.888 -6.466 -9.881 487 HG CYS 59 HG CYS 59 -6.376 -8.976 -8.961 488 H ILE 60 H ILE 60 -4.479 -4.513 -8.581 489 HA ILE 60 HA ILE 60 -6.569 -2.441 -8.321 490 HB ILE 60 HB ILE 60 -5.403 -1.177 -6.640 491 1HG1 ILE 60 2HG1 ILE 60 -3.300 -2.649 -5.683 492 2HG1 ILE 60 1HG1 ILE 60 -3.192 -2.981 -7.413 493 1HG2 ILE 60 1HG2 ILE 60 -5.268 -4.058 -5.719 494 2HG2 ILE 60 2HG2 ILE 60 -6.790 -3.188 -5.916 495 3HG2 ILE 60 3HG2 ILE 60 -5.600 -2.628 -4.741 496 1HD1 ILE 60 1HD1 ILE 60 -3.610 -0.154 -6.501 497 2HD1 ILE 60 2HD1 ILE 60 -2.815 -0.752 -7.957 498 3HD1 ILE 60 3HD1 ILE 60 -1.996 -0.858 -6.399 499 H LEU 61 H LEU 61 -6.011 -0.524 -9.433 500 HA LEU 61 HA LEU 61 -3.681 -0.837 -11.247 501 1HB LEU 61 2HB LEU 61 -6.311 0.011 -11.681 502 2HB LEU 61 1HB LEU 61 -5.353 1.493 -11.740 503 HG LEU 61 HG LEU 61 -3.733 0.124 -13.241 504 1HD1 LEU 61 1HD1 LEU 61 -4.428 -1.884 -14.097 505 2HD1 LEU 61 2HD1 LEU 61 -6.128 -1.412 -14.098 506 3HD1 LEU 61 3HD1 LEU 61 -5.362 -1.946 -12.601 507 1HD2 LEU 61 1HD2 LEU 61 -5.289 1.995 -13.954 508 2HD2 LEU 61 2HD2 LEU 61 -6.483 0.759 -14.353 509 3HD2 LEU 61 3HD2 LEU 61 -4.945 0.811 -15.214 510 H LEU 62 H LEU 62 -1.914 -0.077 -10.197 511 HA LEU 62 HA LEU 62 -2.068 2.709 -9.110 512 1HB LEU 62 2HB LEU 62 -1.739 1.163 -7.260 513 2HB LEU 62 1HB LEU 62 -0.424 0.359 -8.118 514 HG LEU 62 HG LEU 62 0.208 3.122 -8.080 515 1HD1 LEU 62 1HD1 LEU 62 -1.265 3.567 -6.262 516 2HD1 LEU 62 2HD1 LEU 62 0.325 3.365 -5.527 517 3HD1 LEU 62 3HD1 LEU 62 -0.852 2.053 -5.458 518 1HD2 LEU 62 1HD2 LEU 62 1.743 1.829 -6.123 519 2HD2 LEU 62 2HD2 LEU 62 2.143 1.982 -7.834 520 3HD2 LEU 62 3HD2 LEU 62 1.294 0.551 -7.251 521 H ASP 63 H ASP 63 -0.353 0.359 -11.046 522 HA ASP 63 HA ASP 63 1.901 2.190 -11.541 523 1HB ASP 63 2HB ASP 63 1.158 -0.533 -12.648 524 2HB ASP 63 1HB ASP 63 2.562 0.380 -13.202 525 H TYR 64 H TYR 64 -1.056 1.063 -13.101 526 HA TYR 64 HA TYR 64 -0.782 1.928 -15.717 527 1HB TYR 64 2HB TYR 64 -2.882 1.001 -15.121 528 2HB TYR 64 1HB TYR 64 -3.111 2.149 -13.804 529 HD1 TYR 64 HD1 TYR 64 -2.450 2.251 -17.507 530 HD2 TYR 64 HD2 TYR 64 -4.649 3.845 -14.178 531 HE1 TYR 64 HE1 TYR 64 -3.666 3.778 -19.041 532 HE2 TYR 64 HE2 TYR 64 -5.865 5.372 -15.710 533 HH TYR 64 HH TYR 64 -6.275 5.049 -18.683 534 H LEU 65 H LEU 65 -1.457 3.983 -12.876 535 HA LEU 65 HA LEU 65 -1.627 6.437 -14.357 536 1HB LEU 65 2HB LEU 65 -1.517 5.625 -11.548 537 2HB LEU 65 1HB LEU 65 -0.676 7.147 -11.850 538 HG LEU 65 HG LEU 65 -2.812 7.729 -13.263 539 1HD1 LEU 65 1HD1 LEU 65 -4.397 6.130 -13.234 540 2HD1 LEU 65 2HD1 LEU 65 -4.614 6.460 -11.515 541 3HD1 LEU 65 3HD1 LEU 65 -3.502 5.195 -12.036 542 1HD2 LEU 65 1HD2 LEU 65 -3.928 8.525 -11.112 543 2HD2 LEU 65 2HD2 LEU 65 -2.246 9.010 -11.315 544 3HD2 LEU 65 3HD2 LEU 65 -2.655 7.675 -10.239 545 H ASN 66 H ASN 66 1.096 4.783 -12.761 546 HA ASN 66 HA ASN 66 3.109 6.671 -12.921 547 1HB ASN 66 2HB ASN 66 3.451 4.339 -12.136 548 2HB ASN 66 1HB ASN 66 3.376 3.782 -13.809 549 1HD2 ASN 66 1HD2 ASN 66 5.460 3.401 -14.571 550 2HD2 ASN 66 2HD2 ASN 66 6.815 4.366 -14.231 551 H TYR 67 H TYR 67 4.486 7.466 -14.561 552 HA TYR 67 HA TYR 67 4.879 8.296 -16.728 553 1HB TYR 67 2HB TYR 67 4.540 5.330 -17.026 554 2HB TYR 67 1HB TYR 67 4.700 6.319 -18.477 555 HD1 TYR 67 HD1 TYR 67 6.862 6.547 -19.302 556 HD2 TYR 67 HD2 TYR 67 6.268 6.150 -15.064 557 HE1 TYR 67 HE1 TYR 67 9.314 6.670 -18.946 558 HE2 TYR 67 HE2 TYR 67 8.720 6.275 -14.708 559 HH TYR 67 HH TYR 67 10.740 6.121 -15.771 560 H ARG 68 H ARG 68 2.704 9.442 -16.367 561 HA ARG 68 HA ARG 68 0.568 8.355 -18.133 562 1HB ARG 68 2HB ARG 68 -0.167 9.025 -15.902 563 2HB ARG 68 1HB ARG 68 0.541 10.625 -16.119 564 1HG ARG 68 2HG ARG 68 -1.004 10.628 -18.288 565 2HG ARG 68 1HG ARG 68 -1.930 9.464 -17.340 566 1HD ARG 68 2HD ARG 68 -1.135 12.251 -16.443 567 2HD ARG 68 1HD ARG 68 -2.753 11.742 -16.927 568 HE ARG 68 HE ARG 68 -1.678 10.131 -14.753 569 1HH1 ARG 68 1HH2 ARG 68 -4.415 11.637 -15.595 570 2HH1 ARG 68 2HH2 ARG 68 -4.699 12.462 -14.099 571 1HH2 ARG 68 2HH1 ARG 68 -1.540 11.807 -12.830 572 2HH2 ARG 68 1HH1 ARG 68 -3.071 12.561 -12.534 573 H GLN 69 H GLN 69 1.606 8.907 -20.144 574 HA GLN 69 HA GLN 69 2.010 11.819 -20.624 575 1HB GLN 69 2HB GLN 69 3.146 11.084 -22.709 576 2HB GLN 69 1HB GLN 69 3.880 10.370 -21.272 577 1HG GLN 69 2HG GLN 69 3.240 8.262 -21.841 578 2HG GLN 69 1HG GLN 69 1.666 8.798 -22.429 579 1HE2 GLN 69 1HE2 GLN 69 5.150 8.906 -23.365 580 2HE2 GLN 69 2HE2 GLN 69 4.853 8.823 -25.034 581 H ASP 70 H ASP 70 -0.341 9.457 -20.983 582 HA ASP 70 HA ASP 70 -1.580 10.959 -23.256 583 1HB ASP 70 2HB ASP 70 -0.855 8.412 -23.495 584 2HB ASP 70 1HB ASP 70 -2.376 8.138 -22.644 585 H THR 71 H THR 71 -2.704 12.371 -21.811 586 HA THR 71 HA THR 71 -4.103 11.763 -19.494 587 HB THR 71 HB THR 71 -5.692 13.593 -20.150 588 HG1 THR 71 HG1 THR 71 -4.719 14.573 -22.254 589 1HG2 THR 71 1HG2 THR 71 -3.262 13.882 -19.267 590 2HG2 THR 71 2HG2 THR 71 -4.076 15.287 -19.956 591 3HG2 THR 71 3HG2 THR 71 -2.893 14.396 -20.913 592 H LEU 72 H LEU 72 -5.243 9.858 -19.327 593 HA LEU 72 HA LEU 72 -7.515 9.503 -21.239 594 1HB LEU 72 2HB LEU 72 -5.352 7.839 -21.176 595 2HB LEU 72 1HB LEU 72 -6.408 7.055 -19.999 596 HG LEU 72 HG LEU 72 -7.302 7.886 -22.773 597 1HD1 LEU 72 1HD1 LEU 72 -6.007 5.404 -21.732 598 2HD1 LEU 72 2HD1 LEU 72 -5.889 6.148 -23.327 599 3HD1 LEU 72 3HD1 LEU 72 -7.321 5.214 -22.893 600 1HD2 LEU 72 1HD2 LEU 72 -8.560 5.945 -20.818 601 2HD2 LEU 72 2HD2 LEU 72 -9.277 6.613 -22.284 602 3HD2 LEU 72 3HD2 LEU 72 -9.001 7.651 -20.886 603 H ASP 73 H ASP 73 -7.964 10.893 -18.947 604 HA ASP 73 HA ASP 73 -8.980 8.940 -16.944 605 1HB ASP 73 2HB ASP 73 -8.526 11.930 -16.875 606 2HB ASP 73 1HB ASP 73 -9.410 11.080 -15.606 607 H ARG 74 H ARG 74 -10.042 10.795 -19.584 608 HA ARG 74 HA ARG 74 -12.689 11.473 -18.673 609 1HB ARG 74 2HB ARG 74 -11.226 11.436 -21.236 610 2HB ARG 74 1HB ARG 74 -12.965 11.176 -21.382 611 1HG ARG 74 2HG ARG 74 -13.384 13.212 -20.053 612 2HG ARG 74 1HG ARG 74 -11.646 13.478 -19.911 613 1HD ARG 74 2HD ARG 74 -11.477 14.292 -22.023 614 2HD ARG 74 1HD ARG 74 -12.574 13.076 -22.677 615 HE ARG 74 HE ARG 74 -13.547 15.516 -21.243 616 1HH1 ARG 74 1HH2 ARG 74 -15.623 13.504 -21.743 617 2HH1 ARG 74 2HH2 ARG 74 -16.234 13.943 -23.304 618 1HH2 ARG 74 2HH1 ARG 74 -13.504 15.925 -24.109 619 2HH2 ARG 74 1HH1 ARG 74 -15.035 15.314 -24.643 620 H LEU 75 H LEU 75 -11.347 8.653 -20.376 621 HA LEU 75 HA LEU 75 -13.633 7.249 -21.058 622 1HB LEU 75 2HB LEU 75 -11.079 6.565 -21.097 623 2HB LEU 75 1HB LEU 75 -11.489 5.765 -19.578 624 HG LEU 75 HG LEU 75 -13.380 5.346 -21.830 625 1HD1 LEU 75 1HD1 LEU 75 -11.478 3.335 -22.191 626 2HD1 LEU 75 2HD1 LEU 75 -10.521 4.811 -22.059 627 3HD1 LEU 75 3HD1 LEU 75 -11.783 4.686 -23.284 628 1HD2 LEU 75 1HD2 LEU 75 -13.667 3.239 -20.791 629 2HD2 LEU 75 2HD2 LEU 75 -13.394 4.338 -19.439 630 3HD2 LEU 75 3HD2 LEU 75 -12.084 3.309 -20.017 631 H LYS 76 H LYS 76 -12.345 7.785 -17.819 632 HA LYS 76 HA LYS 76 -13.772 5.902 -16.327 633 1HB LYS 76 2HB LYS 76 -13.404 8.814 -15.559 634 2HB LYS 76 1HB LYS 76 -13.647 7.456 -14.460 635 1HG LYS 76 2HG LYS 76 -11.531 6.436 -15.394 636 2HG LYS 76 1HG LYS 76 -11.261 7.950 -16.259 637 1HD LYS 76 2HD LYS 76 -11.587 7.703 -13.253 638 2HD LYS 76 1HD LYS 76 -10.047 7.893 -14.092 639 1HE LYS 76 2HE LYS 76 -10.346 10.118 -14.297 640 2HE LYS 76 1HE LYS 76 -11.965 9.896 -14.960 641 1HZ LYS 76 1HZ LYS 76 -12.263 11.041 -12.959 642 2HZ LYS 76 2HZ LYS 76 -11.158 10.061 -12.119 643 3HZ LYS 76 3HZ LYS 76 -12.666 9.435 -12.593 644 H GLU 77 H GLU 77 -14.937 9.253 -16.885 645 HA GLU 77 HA GLU 77 -17.565 8.864 -15.982 646 1HB GLU 77 2HB GLU 77 -16.278 10.989 -16.992 647 2HB GLU 77 1HB GLU 77 -17.199 10.537 -18.427 648 1HG GLU 77 2HG GLU 77 -19.274 10.804 -17.323 649 2HG GLU 77 1HG GLU 77 -18.525 10.774 -15.726 650 H ARG 78 H ARG 78 -16.110 7.932 -19.048 651 HA ARG 78 HA ARG 78 -18.363 7.461 -20.637 652 1HB ARG 78 2HB ARG 78 -15.766 6.969 -21.000 653 2HB ARG 78 1HB ARG 78 -16.262 5.335 -20.559 654 1HG ARG 78 2HG ARG 78 -17.753 6.930 -22.646 655 2HG ARG 78 1HG ARG 78 -16.348 5.947 -23.062 656 1HD ARG 78 2HD ARG 78 -17.804 4.202 -21.523 657 2HD ARG 78 1HD ARG 78 -19.080 5.108 -22.337 658 HE ARG 78 HE ARG 78 -16.951 4.181 -24.125 659 1HH1 ARG 78 1HH2 ARG 78 -18.057 1.710 -22.887 660 2HH1 ARG 78 2HH2 ARG 78 -19.398 1.341 -23.919 661 1HH2 ARG 78 2HH1 ARG 78 -19.509 4.500 -25.347 662 2HH2 ARG 78 1HH1 ARG 78 -20.219 2.921 -25.314 663 H LEU 79 H LEU 79 -16.809 4.913 -18.647 664 HA LEU 79 HA LEU 79 -19.255 4.075 -17.410 665 1HB LEU 79 2HB LEU 79 -19.037 3.267 -20.089 666 2HB LEU 79 1HB LEU 79 -18.594 1.844 -19.145 667 HG LEU 79 HG LEU 79 -20.771 2.857 -17.762 668 1HD1 LEU 79 1HD1 LEU 79 -22.061 4.069 -19.149 669 2HD1 LEU 79 2HD1 LEU 79 -22.121 2.713 -20.274 670 3HD1 LEU 79 3HD1 LEU 79 -20.844 3.922 -20.418 671 1HD2 LEU 79 1HD2 LEU 79 -21.029 0.838 -19.993 672 2HD2 LEU 79 2HD2 LEU 79 -21.835 0.845 -18.424 673 3HD2 LEU 79 3HD2 LEU 79 -20.114 0.475 -18.530 674 H VAL 80 H VAL 80 -16.891 4.506 -16.239 675 HA VAL 80 HA VAL 80 -14.900 2.592 -16.108 676 HB VAL 80 HB VAL 80 -14.634 4.408 -14.647 677 1HG1 VAL 80 1HG1 VAL 80 -16.572 5.454 -14.111 678 2HG1 VAL 80 2HG1 VAL 80 -16.593 4.392 -12.703 679 3HG1 VAL 80 3HG1 VAL 80 -17.493 3.951 -14.154 680 1HG2 VAL 80 1HG2 VAL 80 -14.481 3.451 -12.379 681 2HG2 VAL 80 2HG2 VAL 80 -13.900 2.304 -13.583 682 3HG2 VAL 80 3HG2 VAL 80 -15.503 2.103 -12.875 683 H GLY 81 H GLY 81 -14.628 0.824 -14.446 684 1HA GLY 81 2HA GLY 81 -15.502 -1.026 -13.205 685 2HA GLY 81 1HA GLY 81 -17.131 -0.522 -13.645 686 H ARG 82 H ARG 82 -16.656 -0.290 -16.475 687 HA ARG 82 HA ARG 82 -17.387 -2.763 -17.462 688 1HB ARG 82 2HB ARG 82 -15.964 -0.427 -18.639 689 2HB ARG 82 1HB ARG 82 -15.939 -1.926 -19.567 690 1HG ARG 82 2HG ARG 82 -18.539 -0.982 -18.405 691 2HG ARG 82 1HG ARG 82 -17.929 -0.219 -19.875 692 1HD ARG 82 2HD ARG 82 -18.093 -2.173 -21.125 693 2HD ARG 82 1HD ARG 82 -17.965 -3.213 -19.706 694 HE ARG 82 HE ARG 82 -20.338 -2.165 -19.178 695 1HH1 ARG 82 1HH2 ARG 82 -20.438 -4.692 -20.687 696 2HH1 ARG 82 2HH2 ARG 82 -21.325 -4.264 -22.112 697 1HH2 ARG 82 2HH1 ARG 82 -20.870 -0.853 -21.692 698 2HH2 ARG 82 1HH1 ARG 82 -21.570 -2.091 -22.680 699 H VAL 83 H VAL 83 -15.978 -4.193 -18.973 700 HA VAL 83 HA VAL 83 -13.614 -5.038 -17.388 701 HB VAL 83 HB VAL 83 -15.477 -6.653 -18.055 702 1HG1 VAL 83 1HG1 VAL 83 -14.189 -6.955 -20.711 703 2HG1 VAL 83 2HG1 VAL 83 -15.218 -5.535 -20.518 704 3HG1 VAL 83 3HG1 VAL 83 -15.881 -7.148 -20.250 705 1HG2 VAL 83 1HG2 VAL 83 -13.019 -7.210 -17.451 706 2HG2 VAL 83 2HG2 VAL 83 -12.797 -7.467 -19.181 707 3HG2 VAL 83 3HG2 VAL 83 -13.955 -8.450 -18.285 708 H ILE 84 H ILE 84 -11.559 -5.277 -18.353 709 HA ILE 84 HA ILE 84 -11.189 -4.581 -21.184 710 HB ILE 84 HB ILE 84 -9.897 -2.613 -20.849 711 1HG1 ILE 84 2HG1 ILE 84 -8.575 -3.267 -18.932 712 2HG1 ILE 84 1HG1 ILE 84 -9.420 -1.780 -18.505 713 1HG2 ILE 84 1HG2 ILE 84 -12.339 -2.265 -20.660 714 2HG2 ILE 84 2HG2 ILE 84 -11.448 -1.109 -19.671 715 3HG2 ILE 84 3HG2 ILE 84 -12.231 -2.496 -18.915 716 1HD1 ILE 84 1HD1 ILE 84 -9.973 -4.593 -17.594 717 2HD1 ILE 84 2HD1 ILE 84 -11.265 -3.391 -17.586 718 3HD1 ILE 84 3HD1 ILE 84 -9.808 -3.127 -16.628 719 H LYS 85 H LYS 85 -8.663 -4.484 -21.580 720 HA LYS 85 HA LYS 85 -7.530 -6.857 -20.190 721 1HB LYS 85 2HB LYS 85 -7.570 -6.037 -22.880 722 2HB LYS 85 1HB LYS 85 -5.906 -5.788 -22.349 723 1HG LYS 85 2HG LYS 85 -6.112 -8.159 -21.309 724 2HG LYS 85 1HG LYS 85 -7.508 -8.340 -22.374 725 1HD LYS 85 2HD LYS 85 -5.603 -7.263 -24.060 726 2HD LYS 85 1HD LYS 85 -4.648 -8.334 -23.034 727 1HE LYS 85 2HE LYS 85 -7.094 -9.081 -24.659 728 2HE LYS 85 1HE LYS 85 -5.438 -9.619 -24.928 729 1HZ LYS 85 1HZ LYS 85 -7.095 -10.205 -22.534 730 2HZ LYS 85 2HZ LYS 85 -5.484 -10.695 -22.757 731 3HZ LYS 85 3HZ LYS 85 -6.706 -11.301 -23.770 732 H THR 86 H THR 86 -6.352 -6.285 -18.413 733 HA THR 86 HA THR 86 -4.697 -3.804 -18.576 734 HB THR 86 HB THR 86 -4.734 -3.843 -16.106 735 HG1 THR 86 HG1 THR 86 -6.305 -6.161 -16.536 736 1HG2 THR 86 1HG2 THR 86 -6.838 -3.218 -17.794 737 2HG2 THR 86 2HG2 THR 86 -6.730 -2.782 -16.089 738 3HG2 THR 86 3HG2 THR 86 -7.597 -4.239 -16.573 739 H ARG 87 H ARG 87 -2.570 -3.948 -17.351 740 HA ARG 87 HA ARG 87 -1.314 -6.585 -17.936 741 1HB ARG 87 2HB ARG 87 -0.363 -3.767 -17.814 742 2HB ARG 87 1HB ARG 87 0.773 -4.999 -17.262 743 1HG ARG 87 2HG ARG 87 0.812 -4.386 -19.776 744 2HG ARG 87 1HG ARG 87 0.778 -6.100 -19.358 745 1HD ARG 87 2HD ARG 87 -1.469 -6.340 -19.963 746 2HD ARG 87 1HD ARG 87 -1.804 -4.619 -19.780 747 HE ARG 87 HE ARG 87 0.103 -5.079 -21.901 748 1HH1 ARG 87 1HH2 ARG 87 -3.066 -6.127 -21.274 749 2HH1 ARG 87 2HH2 ARG 87 -3.724 -5.542 -22.766 750 1HH2 ARG 87 2HH1 ARG 87 -0.805 -3.943 -23.736 751 2HH2 ARG 87 1HH1 ARG 87 -2.444 -4.307 -24.159 752 H VAL 88 H VAL 88 -0.357 -7.796 -16.291 753 HA VAL 88 HA VAL 88 -1.099 -7.000 -13.537 754 HB VAL 88 HB VAL 88 0.057 -9.591 -14.600 755 1HG1 VAL 88 1HG1 VAL 88 -0.792 -10.468 -12.394 756 2HG1 VAL 88 2HG1 VAL 88 -1.088 -8.799 -11.907 757 3HG1 VAL 88 3HG1 VAL 88 0.556 -9.341 -12.245 758 1HG2 VAL 88 1HG2 VAL 88 -2.719 -9.451 -13.585 759 2HG2 VAL 88 2HG2 VAL 88 -2.075 -10.312 -14.982 760 3HG2 VAL 88 3HG2 VAL 88 -2.435 -8.591 -15.099 761 H VAL 89 H VAL 89 0.445 -6.530 -11.951 762 HA VAL 89 HA VAL 89 3.267 -6.618 -12.888 763 HB VAL 89 HB VAL 89 1.932 -4.540 -11.148 764 1HG1 VAL 89 1HG1 VAL 89 4.326 -3.485 -11.687 765 2HG1 VAL 89 2HG1 VAL 89 4.784 -5.186 -11.747 766 3HG1 VAL 89 3HG1 VAL 89 4.070 -4.516 -10.280 767 1HG2 VAL 89 1HG2 VAL 89 1.756 -4.698 -13.813 768 2HG2 VAL 89 2HG2 VAL 89 3.352 -3.955 -13.710 769 3HG2 VAL 89 3HG2 VAL 89 1.958 -3.149 -12.993 770 H ARG 90 H ARG 90 1.130 -7.748 -10.475 771 HA ARG 90 HA ARG 90 3.115 -9.240 -9.135 772 1HB ARG 90 2HB ARG 90 3.337 -6.535 -8.481 773 2HB ARG 90 1HB ARG 90 2.474 -7.244 -7.116 774 1HG ARG 90 2HG ARG 90 4.730 -8.870 -8.095 775 2HG ARG 90 1HG ARG 90 5.199 -7.307 -7.423 776 1HD ARG 90 2HD ARG 90 5.091 -8.397 -5.426 777 2HD ARG 90 1HD ARG 90 3.355 -8.129 -5.584 778 HE ARG 90 HE ARG 90 3.147 -10.458 -5.784 779 1HH1 ARG 90 1HH2 ARG 90 6.415 -9.568 -6.150 780 2HH1 ARG 90 2HH2 ARG 90 6.901 -11.068 -6.864 781 1HH2 ARG 90 2HH1 ARG 90 3.679 -12.334 -7.040 782 2HH2 ARG 90 1HH1 ARG 90 5.352 -12.634 -7.369 783 H ALA 91 H ALA 91 1.650 -10.848 -8.795 784 HA ALA 91 HA ALA 91 -0.787 -10.173 -7.192 785 1HB ALA 91 1HB ALA 91 -1.606 -12.433 -8.188 786 2HB ALA 91 2HB ALA 91 -0.313 -12.207 -9.367 787 3HB ALA 91 3HB ALA 91 -1.606 -11.014 -9.235 788 H ASP 92 H ASP 92 0.365 -10.471 -5.187 789 HA ASP 92 HA ASP 92 1.109 -13.321 -4.652 790 1HB ASP 92 2HB ASP 92 3.124 -12.020 -4.528 791 2HB ASP 92 1HB ASP 92 2.325 -10.759 -3.590 792 H GLY 93 H GLY 93 -1.123 -13.686 -3.966 793 1HA GLY 93 2HA GLY 93 -2.110 -14.146 -1.717 794 2HA GLY 93 1HA GLY 93 -1.682 -12.491 -1.279 795 H LEU 94 H LEU 94 -3.684 -11.571 -0.954 796 HA LEU 94 HA LEU 94 -5.751 -11.945 -3.067 797 1HB LEU 94 2HB LEU 94 -5.812 -11.206 -0.168 798 2HB LEU 94 1HB LEU 94 -7.100 -10.601 -1.212 799 HG LEU 94 HG LEU 94 -7.145 -13.119 -2.050 800 1HD1 LEU 94 1HD1 LEU 94 -5.218 -13.825 -0.691 801 2HD1 LEU 94 2HD1 LEU 94 -6.678 -14.668 -0.176 802 3HD1 LEU 94 3HD1 LEU 94 -6.058 -13.320 0.776 803 1HD2 LEU 94 1HD2 LEU 94 -9.115 -13.250 -0.897 804 2HD2 LEU 94 2HD2 LEU 94 -8.750 -11.577 -0.479 805 3HD2 LEU 94 3HD2 LEU 94 -8.350 -12.874 0.647 806 H TYR 95 H TYR 95 -3.262 -9.914 -2.535 807 HA TYR 95 HA TYR 95 -4.778 -7.573 -3.619 808 1HB TYR 95 2HB TYR 95 -3.527 -7.580 -1.197 809 2HB TYR 95 1HB TYR 95 -2.213 -7.032 -2.240 810 HD1 TYR 95 HD1 TYR 95 -5.903 -6.456 -1.812 811 HD2 TYR 95 HD2 TYR 95 -2.045 -4.742 -2.620 812 HE1 TYR 95 HE1 TYR 95 -6.929 -4.200 -1.924 813 HE2 TYR 95 HE2 TYR 95 -3.070 -2.486 -2.731 814 HH TYR 95 HH TYR 95 -5.075 -1.387 -2.943 815 H VAL 96 H VAL 96 -4.014 -6.827 -5.563 816 HA VAL 96 HA VAL 96 -1.270 -7.682 -6.384 817 HB VAL 96 HB VAL 96 -3.698 -7.678 -8.197 818 1HG1 VAL 96 1HG1 VAL 96 -1.186 -7.383 -8.991 819 2HG1 VAL 96 2HG1 VAL 96 -2.285 -8.449 -9.868 820 3HG1 VAL 96 3HG1 VAL 96 -1.130 -9.124 -8.724 821 1HG2 VAL 96 1HG2 VAL 96 -2.608 -9.707 -6.345 822 2HG2 VAL 96 2HG2 VAL 96 -2.887 -10.286 -7.987 823 3HG2 VAL 96 3HG2 VAL 96 -4.214 -9.585 -7.062 824 H ASP 97 H ASP 97 -0.161 -6.196 -7.685 825 HA ASP 97 HA ASP 97 -1.486 -3.528 -8.005 826 1HB ASP 97 2HB ASP 97 1.401 -4.308 -7.520 827 2HB ASP 97 1HB ASP 97 0.945 -2.703 -8.092 828 H LEU 98 H LEU 98 -1.413 -2.598 -10.116 829 HA LEU 98 HA LEU 98 0.328 -3.747 -12.152 830 1HB LEU 98 2HB LEU 98 -2.087 -4.170 -13.424 831 2HB LEU 98 1HB LEU 98 -1.006 -5.410 -12.801 832 HG LEU 98 HG LEU 98 -2.879 -4.149 -10.864 833 1HD1 LEU 98 1HD1 LEU 98 -4.792 -4.895 -11.812 834 2HD1 LEU 98 2HD1 LEU 98 -4.047 -6.415 -12.310 835 3HD1 LEU 98 3HD1 LEU 98 -3.866 -4.973 -13.311 836 1HD2 LEU 98 1HD2 LEU 98 -2.860 -6.992 -10.858 837 2HD2 LEU 98 2HD2 LEU 98 -2.086 -5.911 -9.699 838 3HD2 LEU 98 3HD2 LEU 98 -1.197 -6.469 -11.116 839 H ARG 99 H ARG 99 -0.525 -3.046 -14.418 840 HA ARG 99 HA ARG 99 -1.672 -0.295 -14.262 841 1HB ARG 99 2HB ARG 99 0.057 0.298 -16.077 842 2HB ARG 99 1HB ARG 99 0.664 0.144 -14.428 843 1HG ARG 99 2HG ARG 99 1.273 -2.237 -14.939 844 2HG ARG 99 1HG ARG 99 0.819 -1.944 -16.618 845 1HD ARG 99 2HD ARG 99 2.474 0.186 -16.119 846 2HD ARG 99 1HD ARG 99 3.222 -1.080 -15.144 847 HE ARG 99 HE ARG 99 3.042 -1.039 -18.079 848 1HH1 ARG 99 2HH1 ARG 99 2.208 -3.676 -16.558 849 2HH1 ARG 99 1HH1 ARG 99 3.681 -4.571 -16.724 850 1HH2 ARG 99 1HH2 ARG 99 5.551 -1.820 -17.707 851 2HH2 ARG 99 2HH2 ARG 99 5.574 -3.521 -17.373 852 H ARG 100 H ARG 100 -3.588 -0.717 -15.339 853 HA ARG 100 HA ARG 100 -4.038 -2.642 -17.324 854 1HB ARG 100 2HB ARG 100 -6.055 -1.512 -17.826 855 2HB ARG 100 1HB ARG 100 -5.737 -1.094 -16.143 856 1HG ARG 100 2HG ARG 100 -4.556 0.994 -17.025 857 2HG ARG 100 1HG ARG 100 -5.258 0.608 -18.597 858 1HD ARG 100 2HD ARG 100 -7.360 0.383 -16.719 859 2HD ARG 100 1HD ARG 100 -6.507 1.875 -16.327 860 HE ARG 100 HE ARG 100 -6.926 1.735 -19.159 861 1HH1 ARG 100 2HH1 ARG 100 -7.509 4.006 -17.144 862 2HH1 ARG 100 1HH1 ARG 100 -9.216 4.190 -17.368 863 1HH2 ARG 100 1HH2 ARG 100 -9.591 1.175 -19.039 864 2HH2 ARG 100 2HH2 ARG 100 -10.396 2.588 -18.442 865 H PHE 101 H PHE 101 -4.274 -2.363 -19.691 866 HA PHE 101 HA PHE 101 -2.919 -0.091 -20.950 867 1HB PHE 101 2HB PHE 101 -1.337 -2.257 -20.180 868 2HB PHE 101 1HB PHE 101 -1.656 -2.549 -21.889 869 HD1 PHE 101 HD1 PHE 101 1.028 -1.735 -20.520 870 HD2 PHE 101 HD2 PHE 101 -2.048 0.494 -22.529 871 HE1 PHE 101 HE1 PHE 101 2.687 0.006 -21.129 872 HE2 PHE 101 HE2 PHE 101 -0.389 2.235 -23.137 873 HZ PHE 101 HZ PHE 101 1.979 1.991 -22.437 874 H PHE 102 HN PHE 102 -3.848 0.225 -22.936 875 HA PHE 102 HA PHE 102 -4.543 -1.788 -24.799 876 1HB PHE 102 2HB PHE 102 -6.238 -2.036 -22.713 877 2HB PHE 102 1HB PHE 102 -7.107 -0.818 -23.646 878 HD1 PHE 102 HD1 PHE 102 -7.446 -4.035 -23.076 879 HD2 PHE 102 HD2 PHE 102 -6.378 -1.552 -26.418 880 HE1 PHE 102 HE1 PHE 102 -8.241 -5.793 -24.636 881 HE2 PHE 102 HE2 PHE 102 -7.173 -3.310 -27.979 882 HZ PHE 102 HZ PHE 102 -8.105 -5.431 -27.088 Start of MODEL 14 1 1H MET 1 1H MET 1 -9.402 -35.937 4.002 2 2H MET 1 2H MET 1 -9.457 -37.007 5.321 3 3H MET 1 3H MET 1 -7.965 -36.414 4.766 4 HA MET 1 HA MET 1 -8.503 -34.199 5.465 5 1HB MET 1 2HB MET 1 -11.021 -34.674 5.002 6 2HB MET 1 1HB MET 1 -11.052 -35.275 6.660 7 1HG MET 1 2HG MET 1 -11.666 -32.920 6.671 8 2HG MET 1 1HG MET 1 -10.078 -33.097 7.416 9 1HE MET 1 1HE MET 1 -11.672 -31.180 3.861 10 2HE MET 1 2HE MET 1 -11.318 -30.090 5.200 11 3HE MET 1 3HE MET 1 -12.267 -31.547 5.486 12 H THR 2 H THR 2 -7.002 -36.393 6.425 13 HA THR 2 HA THR 2 -7.319 -35.973 9.361 14 HB THR 2 HB THR 2 -6.306 -38.530 9.208 15 HG1 THR 2 HG1 THR 2 -8.493 -38.789 7.573 16 1HG2 THR 2 1HG2 THR 2 -8.940 -37.282 9.776 17 2HG2 THR 2 2HG2 THR 2 -7.934 -38.304 10.801 18 3HG2 THR 2 3HG2 THR 2 -8.939 -39.030 9.547 19 H VAL 3 H VAL 3 -5.306 -36.112 10.528 20 HA VAL 3 HA VAL 3 -3.062 -34.964 9.309 21 HB VAL 3 HB VAL 3 -1.769 -35.876 11.262 22 1HG1 VAL 3 1HG1 VAL 3 -3.793 -34.991 12.911 23 2HG1 VAL 3 2HG1 VAL 3 -4.247 -34.294 11.356 24 3HG1 VAL 3 3HG1 VAL 3 -2.664 -33.945 12.050 25 1HG2 VAL 3 1HG2 VAL 3 -4.388 -37.342 11.674 26 2HG2 VAL 3 2HG2 VAL 3 -3.221 -37.098 12.974 27 3HG2 VAL 3 3HG2 VAL 3 -2.771 -38.036 11.550 28 H ILE 4 H ILE 4 -1.451 -35.742 8.011 29 HA ILE 4 HA ILE 4 -1.236 -38.713 7.716 30 HB ILE 4 HB ILE 4 -1.007 -36.585 5.564 31 1HG1 ILE 4 2HG1 ILE 4 -2.865 -38.655 4.954 32 2HG1 ILE 4 1HG1 ILE 4 -3.209 -38.116 6.598 33 1HG2 ILE 4 1HG2 ILE 4 -0.237 -39.467 5.695 34 2HG2 ILE 4 2HG2 ILE 4 0.504 -38.148 4.789 35 3HG2 ILE 4 3HG2 ILE 4 -0.985 -38.892 4.205 36 1HD1 ILE 4 1HD1 ILE 4 -4.439 -36.552 5.420 37 2HD1 ILE 4 2HD1 ILE 4 -3.354 -36.590 4.031 38 3HD1 ILE 4 3HD1 ILE 4 -2.891 -35.712 5.490 39 H LYS 5 H LYS 5 0.539 -38.642 9.258 40 HA LYS 5 HA LYS 5 3.056 -37.622 8.017 41 1HB LYS 5 2HB LYS 5 2.154 -37.316 10.892 42 2HB LYS 5 1HB LYS 5 3.828 -37.094 10.381 43 1HG LYS 5 2HG LYS 5 2.900 -35.434 8.647 44 2HG LYS 5 1HG LYS 5 1.403 -35.482 9.580 45 1HD LYS 5 2HD LYS 5 3.412 -35.155 11.501 46 2HD LYS 5 1HD LYS 5 3.891 -34.095 10.174 47 1HE LYS 5 2HE LYS 5 2.005 -32.771 10.366 48 2HE LYS 5 1HE LYS 5 1.020 -34.087 11.009 49 1HZ LYS 5 1HZ LYS 5 3.279 -33.222 12.632 50 2HZ LYS 5 2HZ LYS 5 1.725 -33.722 13.106 51 3HZ LYS 5 3HZ LYS 5 1.972 -32.146 12.521 52 HA PRO 6 HA PRO 6 4.451 -41.700 8.920 53 1HB PRO 6 2HB PRO 6 7.143 -41.235 8.617 54 2HB PRO 6 1HB PRO 6 6.015 -41.371 7.257 55 1HG PRO 6 2HG PRO 6 7.306 -38.934 8.387 56 2HG PRO 6 1HG PRO 6 6.705 -39.226 6.747 57 1HD PRO 6 2HD PRO 6 5.386 -37.732 8.766 58 2HD PRO 6 1HD PRO 6 4.672 -38.287 7.236 59 H SER 7 H SER 7 6.548 -42.607 10.287 60 HA SER 7 HA SER 7 7.451 -41.129 12.544 61 1HB SER 7 2HB SER 7 5.211 -41.053 13.366 62 2HB SER 7 1HB SER 7 4.920 -42.738 12.943 63 HG SER 7 HG SER 7 5.727 -43.270 14.800 64 H SER 8 H SER 8 6.174 -44.421 11.904 65 HA SER 8 HA SER 8 8.674 -45.532 13.061 66 1HB SER 8 2HB SER 8 7.495 -47.483 13.447 67 2HB SER 8 1HB SER 8 6.163 -46.331 13.480 68 HG SER 8 HG SER 8 5.561 -46.953 11.497 69 H ARG 9 H ARG 9 6.919 -45.275 10.019 70 HA ARG 9 HA ARG 9 7.602 -45.759 7.826 71 1HB ARG 9 2HB ARG 9 10.381 -46.037 8.998 72 2HB ARG 9 1HB ARG 9 9.950 -45.622 7.339 73 1HG ARG 9 2HG ARG 9 8.826 -43.553 8.218 74 2HG ARG 9 1HG ARG 9 9.468 -43.943 9.814 75 1HD ARG 9 2HD ARG 9 11.593 -44.112 7.886 76 2HD ARG 9 1HD ARG 9 10.782 -42.555 7.715 77 HE ARG 9 HE ARG 9 11.290 -42.114 10.085 78 1HH1 ARG 9 1HH2 ARG 9 13.980 -42.465 8.961 79 2HH1 ARG 9 2HH2 ARG 9 14.685 -43.669 9.988 80 1HH2 ARG 9 2HH1 ARG 9 11.648 -44.723 11.286 81 2HH2 ARG 9 1HH1 ARG 9 13.365 -44.946 11.304 82 HA PRO 10 HA PRO 10 7.653 -50.228 8.807 83 1HB PRO 10 2HB PRO 10 5.419 -50.784 7.304 84 2HB PRO 10 1HB PRO 10 5.356 -50.283 9.003 85 1HG PRO 10 2HG PRO 10 4.702 -48.709 6.557 86 2HG PRO 10 1HG PRO 10 4.099 -48.513 8.210 87 1HD PRO 10 2HD PRO 10 6.096 -46.932 6.970 88 2HD PRO 10 1HD PRO 10 5.710 -46.959 8.705 89 H ARG 11 H ARG 11 9.217 -51.199 7.557 90 HA ARG 11 HA ARG 11 10.473 -51.765 5.642 91 1HB ARG 11 2HB ARG 11 8.303 -53.176 5.576 92 2HB ARG 11 1HB ARG 11 7.785 -52.069 4.304 93 1HG ARG 11 2HG ARG 11 10.019 -52.574 3.159 94 2HG ARG 11 1HG ARG 11 10.186 -53.905 4.305 95 1HD ARG 11 2HD ARG 11 7.686 -54.408 3.479 96 2HD ARG 11 1HD ARG 11 8.277 -53.585 2.036 97 HE ARG 11 HE ARG 11 10.128 -55.307 1.999 98 1HH1 ARG 11 2HH1 ARG 11 9.644 -56.553 4.653 99 2HH1 ARG 11 1HH1 ARG 11 8.715 -57.957 4.247 100 1HH2 ARG 11 1HH2 ARG 11 7.879 -56.814 1.082 101 2HH2 ARG 11 2HH2 ARG 11 7.716 -58.105 2.225 102 HA PRO 12 HA PRO 12 9.569 -47.659 3.615 103 1HB PRO 12 2HB PRO 12 11.774 -46.339 4.590 104 2HB PRO 12 1HB PRO 12 10.200 -46.346 5.403 105 1HG PRO 12 2HG PRO 12 12.691 -47.824 6.119 106 2HG PRO 12 1HG PRO 12 11.364 -47.290 7.164 107 1HD PRO 12 2HD PRO 12 11.764 -49.924 6.211 108 2HD PRO 12 1HD PRO 12 10.280 -49.300 6.964 109 H ARG 13 H ARG 13 10.946 -46.657 1.915 110 HA ARG 13 HA ARG 13 12.579 -48.635 0.550 111 1HB ARG 13 2HB ARG 13 11.309 -47.157 -0.837 112 2HB ARG 13 1HB ARG 13 11.924 -45.732 0.000 113 1HG ARG 13 2HG ARG 13 14.180 -46.173 -0.854 114 2HG ARG 13 1HG ARG 13 13.609 -47.642 -1.647 115 1HD ARG 13 2HD ARG 13 11.840 -45.714 -2.558 116 2HD ARG 13 1HD ARG 13 13.378 -44.853 -2.511 117 HE ARG 13 HE ARG 13 14.236 -46.934 -3.846 118 1HH1 ARG 13 2HH1 ARG 13 11.534 -44.937 -4.345 119 2HH1 ARG 13 1HH1 ARG 13 11.000 -45.751 -5.777 120 1HH2 ARG 13 1HH2 ARG 13 13.348 -48.290 -5.530 121 2HH2 ARG 13 2HH2 ARG 13 12.025 -47.650 -6.448 122 H LYS 14 H LYS 14 14.846 -48.526 0.186 123 HA LYS 14 HA LYS 14 16.508 -47.825 2.307 124 1HB LYS 14 2HB LYS 14 17.236 -47.754 -0.638 125 2HB LYS 14 1HB LYS 14 18.376 -47.885 0.703 126 1HG LYS 14 2HG LYS 14 16.137 -49.870 0.499 127 2HG LYS 14 1HG LYS 14 17.550 -50.061 -0.539 128 1HD LYS 14 2HD LYS 14 18.946 -50.551 1.214 129 2HD LYS 14 1HD LYS 14 18.083 -49.494 2.331 130 1HE LYS 14 2HE LYS 14 16.211 -51.147 2.384 131 2HE LYS 14 1HE LYS 14 17.175 -52.222 1.372 132 1HZ LYS 14 1HZ LYS 14 17.988 -51.191 4.034 133 2HZ LYS 14 2HZ LYS 14 18.876 -52.266 3.065 134 3HZ LYS 14 3HZ LYS 14 17.389 -52.748 3.731 135 H ASN 15 H ASN 15 17.784 -45.985 2.804 136 HA ASN 15 HA ASN 15 16.976 -43.486 1.369 137 1HB ASN 15 2HB ASN 15 17.608 -43.880 4.311 138 2HB ASN 15 1HB ASN 15 17.304 -42.318 3.549 139 1HD2 ASN 15 1HD2 ASN 15 15.778 -44.988 5.061 140 2HD2 ASN 15 2HD2 ASN 15 14.179 -44.614 4.630 141 H LYS 16 H LYS 16 18.702 -42.798 0.200 142 HA LYS 16 HA LYS 16 21.433 -43.529 0.981 143 1HB LYS 16 2HB LYS 16 20.221 -43.015 -1.434 144 2HB LYS 16 1HB LYS 16 21.101 -41.514 -1.141 145 1HG LYS 16 2HG LYS 16 23.164 -42.832 -0.714 146 2HG LYS 16 1HG LYS 16 22.276 -44.309 -1.092 147 1HD LYS 16 2HD LYS 16 22.248 -42.056 -3.071 148 2HD LYS 16 1HD LYS 16 23.676 -43.088 -2.970 149 1HE LYS 16 2HE LYS 16 21.310 -44.729 -2.925 150 2HE LYS 16 1HE LYS 16 21.241 -43.642 -4.313 151 1HZ LYS 16 1HZ LYS 16 22.869 -44.743 -5.317 152 2HZ LYS 16 2HZ LYS 16 22.681 -45.956 -4.142 153 3HZ LYS 16 3HZ LYS 16 23.848 -44.739 -3.932 154 H ASN 17 H ASN 17 23.073 -41.540 0.712 155 HA ASN 17 HA ASN 17 22.020 -39.061 1.912 156 1HB ASN 17 2HB ASN 17 22.787 -40.972 3.670 157 2HB ASN 17 1HB ASN 17 24.344 -40.197 3.374 158 1HD2 ASN 17 1HD2 ASN 17 22.469 -40.079 5.799 159 2HD2 ASN 17 2HD2 ASN 17 22.235 -38.418 6.066 160 H ILE 18 H ILE 18 23.324 -39.794 -0.604 161 HA ILE 18 HA ILE 18 25.892 -38.289 -0.296 162 HB ILE 18 HB ILE 18 26.715 -39.445 -2.244 163 1HG1 ILE 18 2HG1 ILE 18 23.945 -40.675 -2.443 164 2HG1 ILE 18 1HG1 ILE 18 24.576 -39.418 -3.509 165 1HG2 ILE 18 1HG2 ILE 18 25.661 -41.904 -1.288 166 2HG2 ILE 18 2HG2 ILE 18 25.787 -40.826 0.102 167 3HG2 ILE 18 3HG2 ILE 18 27.210 -41.166 -0.881 168 1HD1 ILE 18 1HD1 ILE 18 25.348 -42.308 -3.322 169 2HD1 ILE 18 2HD1 ILE 18 26.565 -41.136 -3.828 170 3HD1 ILE 18 3HD1 ILE 18 25.074 -41.315 -4.753 171 H LYS 19 H LYS 19 23.232 -37.088 -0.560 172 HA LYS 19 HA LYS 19 23.795 -35.150 -2.587 173 1HB LYS 19 2HB LYS 19 23.120 -37.244 -3.949 174 2HB LYS 19 1HB LYS 19 21.488 -36.942 -3.350 175 1HG LYS 19 2HG LYS 19 21.237 -35.467 -5.035 176 2HG LYS 19 1HG LYS 19 22.412 -34.438 -4.213 177 1HD LYS 19 2HD LYS 19 24.218 -35.286 -5.483 178 2HD LYS 19 1HD LYS 19 23.293 -36.688 -6.020 179 1HE LYS 19 2HE LYS 19 22.518 -33.856 -6.744 180 2HE LYS 19 1HE LYS 19 23.590 -34.834 -7.747 181 1HZ LYS 19 1HZ LYS 19 20.734 -35.161 -7.208 182 2HZ LYS 19 2HZ LYS 19 21.661 -36.565 -7.443 183 3HZ LYS 19 3HZ LYS 19 21.593 -35.375 -8.653 184 H VAL 20 H VAL 20 23.124 -33.635 -1.055 185 HA VAL 20 HA VAL 20 20.384 -33.910 0.067 186 HB VAL 20 HB VAL 20 22.203 -33.369 1.644 187 1HG1 VAL 20 1HG1 VAL 20 23.877 -32.127 0.741 188 2HG1 VAL 20 2HG1 VAL 20 22.870 -30.743 1.162 189 3HG1 VAL 20 3HG1 VAL 20 22.814 -31.410 -0.470 190 1HG2 VAL 20 1HG2 VAL 20 20.661 -32.179 2.777 191 2HG2 VAL 20 2HG2 VAL 20 19.779 -31.925 1.271 192 3HG2 VAL 20 3HG2 VAL 20 21.002 -30.762 1.783 193 H ASN 21 H ASN 21 18.775 -32.374 -0.374 194 HA ASN 21 HA ASN 21 17.631 -30.828 -1.723 195 1HB ASN 21 2HB ASN 21 19.961 -29.576 -0.660 196 2HB ASN 21 1HB ASN 21 19.777 -29.023 -2.325 197 1HD2 ASN 21 1HD2 ASN 21 18.512 -28.724 0.890 198 2HD2 ASN 21 2HD2 ASN 21 17.198 -27.719 0.506 199 H THR 22 H THR 22 17.451 -32.312 -3.525 200 HA THR 22 HA THR 22 19.537 -32.242 -5.600 201 HB THR 22 HB THR 22 16.815 -33.582 -5.549 202 HG1 THR 22 HG1 THR 22 18.888 -34.170 -4.201 203 1HG2 THR 22 1HG2 THR 22 18.351 -32.979 -7.760 204 2HG2 THR 22 2HG2 THR 22 17.184 -34.299 -7.663 205 3HG2 THR 22 3HG2 THR 22 18.892 -34.607 -7.350 206 H TYR 23 H TYR 23 16.015 -31.546 -5.583 207 HA TYR 23 HA TYR 23 15.899 -30.241 -8.072 208 1HB TYR 23 2HB TYR 23 14.297 -30.084 -5.552 209 2HB TYR 23 1HB TYR 23 14.032 -28.843 -6.776 210 HD1 TYR 23 HD1 TYR 23 13.640 -29.650 -9.213 211 HD2 TYR 23 HD2 TYR 23 13.281 -32.193 -5.768 212 HE1 TYR 23 HE1 TYR 23 12.271 -31.244 -10.533 213 HE2 TYR 23 HE2 TYR 23 11.911 -33.787 -7.087 214 HH TYR 23 HH TYR 23 10.359 -33.525 -9.252 215 H ARG 24 H ARG 24 15.426 -27.745 -8.238 216 HA ARG 24 HA ARG 24 17.139 -26.155 -6.423 217 1HB ARG 24 2HB ARG 24 17.708 -26.670 -9.329 218 2HB ARG 24 1HB ARG 24 18.139 -25.111 -8.623 219 1HG ARG 24 2HG ARG 24 19.327 -26.399 -6.783 220 2HG ARG 24 1HG ARG 24 19.089 -27.851 -7.755 221 1HD ARG 24 2HD ARG 24 21.291 -26.938 -8.244 222 2HD ARG 24 1HD ARG 24 20.258 -26.712 -9.654 223 HE ARG 24 HE ARG 24 20.295 -24.426 -7.818 224 1HH1 ARG 24 2HH1 ARG 24 20.020 -24.737 -10.941 225 2HH1 ARG 24 1HH1 ARG 24 21.428 -23.858 -11.435 226 1HH2 ARG 24 1HH2 ARG 24 22.847 -23.831 -8.272 227 2HH2 ARG 24 2HH2 ARG 24 23.028 -23.346 -9.924 228 H THR 25 H THR 25 16.505 -23.980 -6.349 229 HA THR 25 HA THR 25 14.984 -22.204 -6.547 230 HB THR 25 HB THR 25 15.117 -23.207 -9.402 231 HG1 THR 25 HG1 THR 25 16.257 -21.039 -7.978 232 1HG2 THR 25 1HG2 THR 25 13.006 -22.063 -9.189 233 2HG2 THR 25 2HG2 THR 25 14.134 -20.948 -9.958 234 3HG2 THR 25 3HG2 THR 25 13.743 -20.768 -8.249 235 H SER 26 H SER 26 13.352 -23.172 -5.226 236 HA SER 26 HA SER 26 10.999 -24.125 -6.792 237 1HB SER 26 2HB SER 26 12.432 -25.918 -5.438 238 2HB SER 26 1HB SER 26 11.502 -25.287 -4.082 239 HG SER 26 HG SER 26 10.685 -27.098 -5.642 240 H ALA 27 H ALA 27 11.475 -21.484 -5.837 241 HA ALA 27 HA ALA 27 9.567 -21.315 -3.540 242 1HB ALA 27 1HB ALA 27 10.527 -19.054 -3.156 243 2HB ALA 27 2HB ALA 27 11.641 -19.316 -4.498 244 3HB ALA 27 3HB ALA 27 11.753 -20.315 -3.048 245 H MET 28 H MET 28 7.550 -20.950 -4.353 246 HA MET 28 HA MET 28 7.130 -19.609 -6.903 247 1HB MET 28 2HB MET 28 5.188 -20.417 -4.716 248 2HB MET 28 1HB MET 28 4.715 -19.806 -6.302 249 1HG MET 28 2HG MET 28 5.602 -21.697 -7.421 250 2HG MET 28 1HG MET 28 6.540 -22.193 -6.012 251 1HE MET 28 1HE MET 28 5.128 -23.776 -7.766 252 2HE MET 28 2HE MET 28 3.386 -24.014 -7.655 253 3HE MET 28 3HE MET 28 4.465 -24.993 -6.667 254 H ASP 29 H ASP 29 7.095 -17.434 -7.170 255 HA ASP 29 HA ASP 29 6.237 -15.751 -4.855 256 1HB ASP 29 2HB ASP 29 8.572 -15.256 -6.728 257 2HB ASP 29 1HB ASP 29 7.958 -14.077 -5.568 258 H LEU 30 H LEU 30 5.577 -16.679 -7.957 259 HA LEU 30 HA LEU 30 4.219 -15.768 -9.638 260 1HB LEU 30 2HB LEU 30 3.158 -14.939 -7.193 261 2HB LEU 30 1HB LEU 30 3.274 -13.452 -8.134 262 HG LEU 30 HG LEU 30 1.111 -14.530 -8.543 263 1HD1 LEU 30 1HD1 LEU 30 2.736 -13.519 -10.429 264 2HD1 LEU 30 2HD1 LEU 30 1.148 -14.181 -10.819 265 3HD1 LEU 30 3HD1 LEU 30 2.595 -15.163 -11.052 266 1HD2 LEU 30 1HD2 LEU 30 0.897 -16.770 -8.762 267 2HD2 LEU 30 2HD2 LEU 30 2.604 -16.891 -8.330 268 3HD2 LEU 30 3HD2 LEU 30 2.126 -16.824 -10.027 269 H SER 31 H SER 31 5.656 -14.941 -11.141 270 HA SER 31 HA SER 31 6.840 -12.261 -10.607 271 1HB SER 31 2HB SER 31 7.544 -13.836 -13.041 272 2HB SER 31 1HB SER 31 8.570 -12.835 -12.019 273 HG SER 31 HG SER 31 9.065 -14.569 -10.960 274 HA PRO 32 HA PRO 32 4.097 -10.416 -13.510 275 1HB PRO 32 2HB PRO 32 5.580 -8.170 -14.058 276 2HB PRO 32 1HB PRO 32 4.683 -8.404 -12.549 277 1HG PRO 32 2HG PRO 32 7.621 -8.562 -13.028 278 2HG PRO 32 1HG PRO 32 6.747 -8.178 -11.535 279 1HD PRO 32 2HD PRO 32 7.944 -10.669 -12.171 280 2HD PRO 32 1HD PRO 32 6.814 -10.358 -10.836 281 H GLY 33 H GLY 33 4.246 -9.351 -15.799 282 1HA GLY 33 2HA GLY 33 5.658 -9.208 -17.866 283 2HA GLY 33 1HA GLY 33 6.329 -10.774 -17.410 284 H SER 34 H SER 34 2.955 -10.282 -16.857 285 HA SER 34 HA SER 34 2.286 -11.705 -19.392 286 1HB SER 34 2HB SER 34 0.537 -12.711 -17.432 287 2HB SER 34 1HB SER 34 1.838 -13.584 -18.235 288 HG SER 34 HG SER 34 1.664 -12.698 -15.687 289 H VAL 35 H VAL 35 -0.073 -11.531 -19.898 290 HA VAL 35 HA VAL 35 -1.235 -9.043 -18.706 291 HB VAL 35 HB VAL 35 -2.207 -8.539 -20.859 292 1HG1 VAL 35 1HG1 VAL 35 0.127 -8.963 -22.252 293 2HG1 VAL 35 2HG1 VAL 35 0.678 -9.060 -20.581 294 3HG1 VAL 35 3HG1 VAL 35 -0.154 -7.614 -21.152 295 1HG2 VAL 35 1HG2 VAL 35 -1.907 -11.354 -21.244 296 2HG2 VAL 35 2HG2 VAL 35 -1.012 -10.539 -22.527 297 3HG2 VAL 35 3HG2 VAL 35 -2.727 -10.197 -22.293 298 H HIS 36 H HIS 36 -3.717 -9.007 -19.030 299 HA HIS 36 HA HIS 36 -5.137 -11.492 -19.333 300 1HB HIS 36 2HB HIS 36 -4.219 -10.706 -16.607 301 2HB HIS 36 1HB HIS 36 -5.872 -11.303 -16.755 302 HD1 HIS 36 HD1 HIS 36 -5.803 -13.553 -18.616 303 HD2 HIS 36 HD2 HIS 36 -2.594 -12.857 -16.046 304 HE1 HIS 36 HE1 HIS 36 -4.549 -15.745 -18.425 305 H GLU 37 H GLU 37 -7.486 -11.194 -18.607 306 HA GLU 37 HA GLU 37 -8.257 -8.368 -19.127 307 1HB GLU 37 2HB GLU 37 -10.028 -10.828 -19.110 308 2HB GLU 37 1HB GLU 37 -10.416 -9.239 -19.770 309 1HG GLU 37 2HG GLU 37 -9.057 -9.520 -21.626 310 2HG GLU 37 1HG GLU 37 -7.983 -10.648 -20.797 311 H GLY 38 H GLY 38 -9.687 -7.268 -17.714 312 1HA GLY 38 2HA GLY 38 -10.689 -8.608 -15.304 313 2HA GLY 38 1HA GLY 38 -9.402 -7.441 -14.997 314 H ILE 39 H ILE 39 -11.689 -6.779 -13.814 315 HA ILE 39 HA ILE 39 -13.203 -4.986 -15.642 316 HB ILE 39 HB ILE 39 -13.731 -5.608 -12.721 317 1HG1 ILE 39 2HG1 ILE 39 -15.439 -6.778 -14.841 318 2HG1 ILE 39 1HG1 ILE 39 -13.814 -7.455 -14.726 319 1HG2 ILE 39 1HG2 ILE 39 -15.684 -4.662 -14.819 320 2HG2 ILE 39 2HG2 ILE 39 -14.715 -3.520 -13.888 321 3HG2 ILE 39 3HG2 ILE 39 -15.841 -4.597 -13.063 322 1HD1 ILE 39 1HD1 ILE 39 -16.047 -7.540 -12.749 323 2HD1 ILE 39 2HD1 ILE 39 -14.406 -7.430 -12.116 324 3HD1 ILE 39 3HD1 ILE 39 -14.861 -8.779 -13.156 325 H VAL 40 H VAL 40 -13.390 -2.713 -15.147 326 HA VAL 40 HA VAL 40 -11.045 -1.703 -13.611 327 HB VAL 40 HB VAL 40 -12.900 -0.279 -15.542 328 1HG1 VAL 40 1HG1 VAL 40 -12.032 1.595 -14.637 329 2HG1 VAL 40 2HG1 VAL 40 -10.466 1.091 -15.273 330 3HG1 VAL 40 3HG1 VAL 40 -10.927 0.663 -13.627 331 1HG2 VAL 40 1HG2 VAL 40 -10.072 -0.588 -16.241 332 2HG2 VAL 40 2HG2 VAL 40 -11.507 -0.928 -17.207 333 3HG2 VAL 40 3HG2 VAL 40 -10.901 -2.136 -16.074 334 H TYR 41 H TYR 41 -11.294 -0.158 -11.947 335 HA TYR 41 HA TYR 41 -14.034 0.648 -11.180 336 1HB TYR 41 2HB TYR 41 -13.015 -1.620 -10.037 337 2HB TYR 41 1HB TYR 41 -12.458 -0.386 -8.905 338 HD1 TYR 41 HD1 TYR 41 -15.561 -0.903 -10.962 339 HD2 TYR 41 HD2 TYR 41 -13.882 -0.121 -7.084 340 HE1 TYR 41 HE1 TYR 41 -17.845 -0.740 -10.006 341 HE2 TYR 41 HE2 TYR 41 -16.167 0.042 -6.128 342 HH TYR 41 HH TYR 41 -18.674 -1.118 -7.150 343 H PHE 42 H PHE 42 -13.846 2.140 -9.151 344 HA PHE 42 HA PHE 42 -11.328 3.740 -9.408 345 1HB PHE 42 2HB PHE 42 -13.811 4.595 -10.131 346 2HB PHE 42 1HB PHE 42 -13.775 5.104 -8.443 347 HD1 PHE 42 HD1 PHE 42 -11.179 5.961 -7.818 348 HD2 PHE 42 HD2 PHE 42 -13.202 6.298 -11.595 349 HE1 PHE 42 HE1 PHE 42 -9.725 7.877 -8.426 350 HE2 PHE 42 HE2 PHE 42 -11.748 8.215 -12.203 351 HZ PHE 42 HZ PHE 42 -10.009 9.004 -10.618 352 H LYS 43 H LYS 43 -10.275 4.211 -7.503 353 HA LYS 43 HA LYS 43 -11.449 4.523 -4.955 354 1HB LYS 43 2HB LYS 43 -11.541 1.840 -5.757 355 2HB LYS 43 1HB LYS 43 -10.169 1.929 -4.651 356 1HG LYS 43 2HG LYS 43 -12.220 3.502 -3.498 357 2HG LYS 43 1HG LYS 43 -12.983 2.004 -4.034 358 1HD LYS 43 2HD LYS 43 -11.117 0.744 -2.892 359 2HD LYS 43 1HD LYS 43 -10.580 2.279 -2.210 360 1HE LYS 43 2HE LYS 43 -13.447 1.432 -1.897 361 2HE LYS 43 1HE LYS 43 -12.215 0.769 -0.824 362 1HZ LYS 43 1HZ LYS 43 -12.407 3.675 -1.293 363 2HZ LYS 43 2HZ LYS 43 -11.703 2.848 0.015 364 3HZ LYS 43 3HZ LYS 43 -13.393 2.918 -0.139 365 H ASP 44 H ASP 44 -9.822 4.798 -3.290 366 HA ASP 44 HA ASP 44 -7.671 5.305 -2.498 367 1HB ASP 44 2HB ASP 44 -7.302 3.085 -4.344 368 2HB ASP 44 1HB ASP 44 -5.904 4.161 -4.341 369 H GLY 45 H GLY 45 -9.038 6.534 -5.119 370 1HA GLY 45 2HA GLY 45 -8.555 8.644 -6.119 371 2HA GLY 45 1HA GLY 45 -6.920 8.552 -5.460 372 H ILE 46 H ILE 46 -6.977 5.645 -6.626 373 HA ILE 46 HA ILE 46 -6.182 6.492 -9.381 374 HB ILE 46 HB ILE 46 -4.644 4.593 -9.374 375 1HG1 ILE 46 2HG1 ILE 46 -5.496 4.057 -6.520 376 2HG1 ILE 46 1HG1 ILE 46 -6.210 3.202 -7.888 377 1HG2 ILE 46 1HG2 ILE 46 -3.248 5.274 -7.329 378 2HG2 ILE 46 2HG2 ILE 46 -4.554 6.398 -6.952 379 3HG2 ILE 46 3HG2 ILE 46 -3.661 6.559 -8.464 380 1HD1 ILE 46 1HD1 ILE 46 -3.253 3.290 -7.220 381 2HD1 ILE 46 2HD1 ILE 46 -3.972 2.436 -8.584 382 3HD1 ILE 46 3HD1 ILE 46 -4.327 1.921 -6.935 383 H PHE 47 H PHE 47 -6.014 3.561 -10.088 384 HA PHE 47 HA PHE 47 -8.958 3.142 -10.425 385 1HB PHE 47 2HB PHE 47 -6.630 2.821 -12.227 386 2HB PHE 47 1HB PHE 47 -7.826 1.527 -12.302 387 HD1 PHE 47 HD1 PHE 47 -9.130 1.877 -14.218 388 HD2 PHE 47 HD2 PHE 47 -8.199 5.200 -11.656 389 HE1 PHE 47 HE1 PHE 47 -10.622 3.332 -15.563 390 HE2 PHE 47 HE2 PHE 47 -9.692 6.656 -13.003 391 HZ PHE 47 HZ PHE 47 -10.903 5.722 -14.956 392 H LYS 48 H LYS 48 -9.411 0.663 -10.789 393 HA LYS 48 HA LYS 48 -7.632 -1.047 -9.158 394 1HB LYS 48 2HB LYS 48 -10.123 0.086 -8.186 395 2HB LYS 48 1HB LYS 48 -10.197 -1.677 -8.213 396 1HG LYS 48 2HG LYS 48 -7.752 -1.426 -7.173 397 2HG LYS 48 1HG LYS 48 -8.408 0.122 -6.636 398 1HD LYS 48 2HD LYS 48 -10.384 -1.126 -5.696 399 2HD LYS 48 1HD LYS 48 -9.544 -2.630 -6.076 400 1HE LYS 48 2HE LYS 48 -9.267 -1.694 -3.685 401 2HE LYS 48 1HE LYS 48 -7.803 -2.182 -4.537 402 1HZ LYS 48 1HZ LYS 48 -7.312 0.048 -5.070 403 2HZ LYS 48 2HZ LYS 48 -7.716 0.041 -3.419 404 3HZ LYS 48 3HZ LYS 48 -8.837 0.593 -4.570 405 H VAL 49 H VAL 49 -7.495 -3.005 -10.129 406 HA VAL 49 HA VAL 49 -9.560 -3.698 -12.157 407 HB VAL 49 HB VAL 49 -6.965 -5.174 -11.772 408 1HG1 VAL 49 1HG1 VAL 49 -7.442 -4.926 -14.448 409 2HG1 VAL 49 2HG1 VAL 49 -9.089 -4.905 -13.817 410 3HG1 VAL 49 3HG1 VAL 49 -8.028 -6.271 -13.469 411 1HG2 VAL 49 1HG2 VAL 49 -6.142 -3.504 -13.602 412 2HG2 VAL 49 2HG2 VAL 49 -6.115 -2.981 -11.918 413 3HG2 VAL 49 3HG2 VAL 49 -7.414 -2.450 -12.986 414 H ARG 50 H ARG 50 -11.150 -4.976 -11.310 415 HA ARG 50 HA ARG 50 -10.435 -6.886 -9.142 416 1HB ARG 50 2HB ARG 50 -12.638 -5.220 -9.510 417 2HB ARG 50 1HB ARG 50 -13.247 -6.816 -9.946 418 1HG ARG 50 2HG ARG 50 -11.562 -6.662 -7.499 419 2HG ARG 50 1HG ARG 50 -13.173 -5.949 -7.397 420 1HD ARG 50 2HD ARG 50 -14.242 -7.974 -7.685 421 2HD ARG 50 1HD ARG 50 -12.932 -8.646 -8.657 422 HE ARG 50 HE ARG 50 -11.919 -9.412 -6.665 423 1HH1 ARG 50 1HH2 ARG 50 -11.933 -6.744 -5.260 424 2HH1 ARG 50 2HH2 ARG 50 -12.947 -7.070 -3.893 425 1HH2 ARG 50 2HH1 ARG 50 -14.274 -9.979 -5.234 426 2HH2 ARG 50 1HH1 ARG 50 -14.272 -8.901 -3.878 427 H LEU 51 H LEU 51 -10.307 -9.053 -9.560 428 HA LEU 51 HA LEU 51 -10.889 -9.935 -12.327 429 1HB LEU 51 2HB LEU 51 -9.157 -10.852 -10.117 430 2HB LEU 51 1HB LEU 51 -9.914 -12.146 -11.047 431 HG LEU 51 HG LEU 51 -9.002 -10.148 -12.880 432 1HD1 LEU 51 1HD1 LEU 51 -6.897 -9.595 -12.233 433 2HD1 LEU 51 2HD1 LEU 51 -6.578 -11.202 -11.582 434 3HD1 LEU 51 3HD1 LEU 51 -7.449 -10.015 -10.612 435 1HD2 LEU 51 1HD2 LEU 51 -8.554 -12.060 -13.989 436 2HD2 LEU 51 2HD2 LEU 51 -9.055 -12.955 -12.555 437 3HD2 LEU 51 3HD2 LEU 51 -7.359 -12.528 -12.781 438 H LEU 52 H LEU 52 -13.164 -10.092 -12.338 439 HA LEU 52 HA LEU 52 -14.686 -11.369 -10.262 440 1HB LEU 52 2HB LEU 52 -15.847 -9.914 -11.780 441 2HB LEU 52 1HB LEU 52 -15.278 -10.822 -13.182 442 HG LEU 52 HG LEU 52 -16.683 -12.501 -11.235 443 1HD1 LEU 52 1HD1 LEU 52 -17.999 -10.480 -10.865 444 2HD1 LEU 52 2HD1 LEU 52 -18.938 -11.612 -11.838 445 3HD1 LEU 52 3HD1 LEU 52 -18.155 -10.229 -12.604 446 1HD2 LEU 52 1HD2 LEU 52 -16.256 -13.417 -13.372 447 2HD2 LEU 52 2HD2 LEU 52 -16.760 -11.945 -14.201 448 3HD2 LEU 52 3HD2 LEU 52 -17.964 -12.985 -13.440 449 H GLY 53 H GLY 53 -15.380 -13.516 -10.084 450 1HA GLY 53 2HA GLY 53 -15.713 -15.741 -11.124 451 2HA GLY 53 1HA GLY 53 -14.267 -15.435 -12.089 452 H TYR 54 H TYR 54 -12.559 -14.440 -10.090 453 HA TYR 54 HA TYR 54 -11.945 -16.955 -8.671 454 1HB TYR 54 2HB TYR 54 -10.470 -14.382 -9.191 455 2HB TYR 54 1HB TYR 54 -9.911 -15.481 -7.930 456 HD1 TYR 54 HD1 TYR 54 -8.386 -17.135 -8.532 457 HD2 TYR 54 HD2 TYR 54 -11.100 -15.606 -11.493 458 HE1 TYR 54 HE1 TYR 54 -7.313 -18.562 -10.254 459 HE2 TYR 54 HE2 TYR 54 -10.026 -17.034 -13.214 460 HH TYR 54 HH TYR 54 -7.754 -18.123 -13.540 461 H GLU 55 H GLU 55 -13.156 -13.744 -8.004 462 HA GLU 55 HA GLU 55 -14.005 -12.813 -6.026 463 1HB GLU 55 2HB GLU 55 -15.194 -15.050 -5.971 464 2HB GLU 55 1HB GLU 55 -13.889 -15.637 -4.937 465 1HG GLU 55 2HG GLU 55 -14.369 -13.745 -3.359 466 2HG GLU 55 1HG GLU 55 -15.768 -13.333 -4.350 467 H GLY 56 H GLY 56 -12.752 -11.618 -4.682 468 1HA GLY 56 2HA GLY 56 -11.287 -11.378 -2.770 469 2HA GLY 56 1HA GLY 56 -10.641 -12.986 -3.100 470 H HIS 57 H HIS 57 -10.163 -12.636 -5.901 471 HA HIS 57 HA HIS 57 -7.564 -11.479 -5.855 472 1HB HIS 57 2HB HIS 57 -9.398 -12.546 -7.911 473 2HB HIS 57 1HB HIS 57 -8.246 -11.348 -8.504 474 HD1 HIS 57 HD1 HIS 57 -7.848 -14.221 -9.420 475 HD2 HIS 57 HD2 HIS 57 -6.102 -12.703 -5.952 476 HE1 HIS 57 HE1 HIS 57 -5.858 -15.703 -8.911 477 H GLU 58 H GLU 58 -7.770 -9.376 -4.933 478 HA GLU 58 HA GLU 58 -9.258 -7.380 -6.572 479 1HB GLU 58 2HB GLU 58 -9.849 -7.331 -4.219 480 2HB GLU 58 1HB GLU 58 -8.151 -7.248 -3.752 481 1HG GLU 58 2HG GLU 58 -7.908 -5.053 -4.683 482 2HG GLU 58 1HG GLU 58 -9.472 -5.154 -5.492 483 H CYS 59 H CYS 59 -7.885 -6.720 -8.178 484 HA CYS 59 HA CYS 59 -5.050 -6.158 -7.486 485 1HB CYS 59 2HB CYS 59 -6.390 -6.114 -10.207 486 2HB CYS 59 1HB CYS 59 -4.656 -6.095 -9.879 487 HG CYS 59 HG CYS 59 -5.456 -8.577 -10.404 488 H ILE 60 H ILE 60 -4.138 -4.074 -8.082 489 HA ILE 60 HA ILE 60 -6.205 -1.913 -8.220 490 HB ILE 60 HB ILE 60 -4.652 -0.499 -6.954 491 1HG1 ILE 60 2HG1 ILE 60 -2.884 -2.968 -6.912 492 2HG1 ILE 60 1HG1 ILE 60 -2.561 -1.498 -7.831 493 1HG2 ILE 60 1HG2 ILE 60 -6.161 -2.498 -5.927 494 2HG2 ILE 60 2HG2 ILE 60 -5.222 -1.392 -4.923 495 3HG2 ILE 60 3HG2 ILE 60 -4.575 -2.983 -5.327 496 1HD1 ILE 60 1HD1 ILE 60 -1.842 -2.032 -5.149 497 2HD1 ILE 60 2HD1 ILE 60 -3.119 -0.817 -5.086 498 3HD1 ILE 60 3HD1 ILE 60 -1.657 -0.512 -6.023 499 H LEU 61 H LEU 61 -5.939 -0.405 -9.854 500 HA LEU 61 HA LEU 61 -3.665 -0.890 -11.706 501 1HB LEU 61 2HB LEU 61 -6.158 -0.769 -12.439 502 2HB LEU 61 1HB LEU 61 -5.971 0.973 -12.242 503 HG LEU 61 HG LEU 61 -4.073 0.964 -13.805 504 1HD1 LEU 61 1HD1 LEU 61 -3.059 -1.146 -13.537 505 2HD1 LEU 61 2HD1 LEU 61 -3.810 -1.260 -15.129 506 3HD1 LEU 61 3HD1 LEU 61 -4.586 -2.006 -13.731 507 1HD2 LEU 61 1HD2 LEU 61 -5.516 -0.191 -15.785 508 2HD2 LEU 61 2HD2 LEU 61 -5.913 1.388 -15.109 509 3HD2 LEU 61 3HD2 LEU 61 -6.767 -0.051 -14.550 510 H LEU 62 H LEU 62 -1.914 0.328 -11.213 511 HA LEU 62 HA LEU 62 -2.397 3.179 -10.417 512 1HB LEU 62 2HB LEU 62 -1.387 1.931 -8.579 513 2HB LEU 62 1HB LEU 62 -0.124 1.320 -9.649 514 HG LEU 62 HG LEU 62 -0.515 4.283 -9.422 515 1HD1 LEU 62 1HD1 LEU 62 1.126 2.645 -7.468 516 2HD1 LEU 62 2HD1 LEU 62 -0.450 3.337 -7.085 517 3HD1 LEU 62 3HD1 LEU 62 0.909 4.395 -7.466 518 1HD2 LEU 62 1HD2 LEU 62 1.132 3.794 -10.988 519 2HD2 LEU 62 2HD2 LEU 62 1.646 2.334 -10.143 520 3HD2 LEU 62 3HD2 LEU 62 2.113 3.918 -9.527 521 H ASP 63 H ASP 63 -0.364 0.956 -12.285 522 HA ASP 63 HA ASP 63 1.379 2.921 -13.405 523 1HB ASP 63 2HB ASP 63 1.315 0.245 -13.544 524 2HB ASP 63 1HB ASP 63 0.532 0.604 -15.083 525 H TYR 64 H TYR 64 -1.543 1.413 -14.842 526 HA TYR 64 HA TYR 64 -1.822 3.901 -16.490 527 1HB TYR 64 2HB TYR 64 -1.855 1.079 -17.204 528 2HB TYR 64 1HB TYR 64 -3.328 1.899 -17.725 529 HD1 TYR 64 HD1 TYR 64 0.245 3.015 -17.416 530 HD2 TYR 64 HD2 TYR 64 -3.159 2.468 -19.983 531 HE1 TYR 64 HE1 TYR 64 1.491 4.059 -19.291 532 HE2 TYR 64 HE2 TYR 64 -1.914 3.511 -21.857 533 HH TYR 64 HH TYR 64 1.403 4.746 -21.398 534 H LEU 65 H LEU 65 -2.931 4.133 -14.067 535 HA LEU 65 HA LEU 65 -5.559 3.040 -13.747 536 1HB LEU 65 2HB LEU 65 -5.868 4.712 -12.027 537 2HB LEU 65 1HB LEU 65 -4.202 4.145 -11.932 538 HG LEU 65 HG LEU 65 -4.851 6.540 -13.630 539 1HD1 LEU 65 1HD1 LEU 65 -4.375 7.960 -11.621 540 2HD1 LEU 65 2HD1 LEU 65 -4.465 6.510 -10.624 541 3HD1 LEU 65 3HD1 LEU 65 -5.892 7.068 -11.497 542 1HD2 LEU 65 1HD2 LEU 65 -2.495 7.060 -12.499 543 2HD2 LEU 65 2HD2 LEU 65 -2.614 5.993 -13.897 544 3HD2 LEU 65 3HD2 LEU 65 -2.480 5.311 -12.276 545 H ASN 66 H ASN 66 -4.321 5.600 -15.720 546 HA ASN 66 HA ASN 66 -6.873 5.905 -17.061 547 1HB ASN 66 2HB ASN 66 -7.162 8.324 -16.541 548 2HB ASN 66 1HB ASN 66 -7.356 7.308 -15.112 549 1HD2 ASN 66 1HD2 ASN 66 -6.760 9.466 -13.991 550 2HD2 ASN 66 2HD2 ASN 66 -5.110 9.799 -13.776 551 H TYR 67 H TYR 67 -6.549 8.158 -18.488 552 HA TYR 67 HA TYR 67 -3.723 8.163 -19.439 553 1HB TYR 67 2HB TYR 67 -5.784 6.867 -20.787 554 2HB TYR 67 1HB TYR 67 -5.660 8.422 -21.609 555 HD1 TYR 67 HD1 TYR 67 -2.673 8.852 -20.936 556 HD2 TYR 67 HD2 TYR 67 -4.844 5.533 -22.591 557 HE1 TYR 67 HE1 TYR 67 -0.616 8.083 -22.090 558 HE2 TYR 67 HE2 TYR 67 -2.787 4.763 -23.745 559 HH TYR 67 HH TYR 67 0.216 6.662 -23.607 560 H ARG 68 H ARG 68 -3.271 10.253 -18.773 561 HA ARG 68 HA ARG 68 -3.510 12.595 -18.579 562 1HB ARG 68 2HB ARG 68 -3.661 11.758 -21.375 563 2HB ARG 68 1HB ARG 68 -4.465 13.304 -21.098 564 1HG ARG 68 2HG ARG 68 -2.335 13.922 -19.742 565 2HG ARG 68 1HG ARG 68 -1.589 12.564 -20.587 566 1HD ARG 68 2HD ARG 68 -3.085 14.209 -22.442 567 2HD ARG 68 1HD ARG 68 -1.910 15.185 -21.560 568 HE ARG 68 HE ARG 68 -0.145 13.683 -22.401 569 1HH1 ARG 68 1HH2 ARG 68 -3.069 12.240 -23.183 570 2HH1 ARG 68 2HH2 ARG 68 -2.659 11.887 -24.829 571 1HH2 ARG 68 2HH1 ARG 68 0.297 13.697 -24.756 572 2HH2 ARG 68 1HH1 ARG 68 -0.753 12.712 -25.718 573 H GLN 69 H GLN 69 -5.284 14.379 -19.782 574 HA GLN 69 HA GLN 69 -8.027 13.422 -19.314 575 1HB GLN 69 2HB GLN 69 -8.495 15.067 -17.544 576 2HB GLN 69 1HB GLN 69 -7.219 13.961 -17.031 577 1HG GLN 69 2HG GLN 69 -5.884 16.037 -18.368 578 2HG GLN 69 1HG GLN 69 -7.108 16.839 -17.383 579 1HE2 GLN 69 1HE2 GLN 69 -4.181 16.830 -16.884 580 2HE2 GLN 69 2HE2 GLN 69 -3.962 16.113 -15.361 581 H ASP 70 H ASP 70 -9.276 15.905 -19.101 582 HA ASP 70 HA ASP 70 -8.318 17.968 -20.780 583 1HB ASP 70 2HB ASP 70 -8.654 15.784 -22.343 584 2HB ASP 70 1HB ASP 70 -10.284 16.456 -22.417 585 H THR 71 H THR 71 -11.446 16.236 -20.917 586 HA THR 71 HA THR 71 -12.781 17.931 -19.039 587 HB THR 71 HB THR 71 -12.422 19.695 -20.689 588 HG1 THR 71 HG1 THR 71 -14.379 19.923 -19.790 589 1HG2 THR 71 1HG2 THR 71 -13.830 19.152 -22.929 590 2HG2 THR 71 2HG2 THR 71 -13.260 17.530 -22.537 591 3HG2 THR 71 3HG2 THR 71 -12.101 18.836 -22.784 592 H LEU 72 H LEU 72 -15.185 17.566 -19.128 593 HA LEU 72 HA LEU 72 -17.073 16.211 -19.551 594 1HB LEU 72 2HB LEU 72 -15.839 16.199 -21.969 595 2HB LEU 72 1HB LEU 72 -15.689 14.494 -21.538 596 HG LEU 72 HG LEU 72 -18.304 15.118 -20.823 597 1HD1 LEU 72 1HD1 LEU 72 -17.686 17.246 -22.303 598 2HD1 LEU 72 2HD1 LEU 72 -19.270 16.479 -22.426 599 3HD1 LEU 72 3HD1 LEU 72 -18.025 16.128 -23.625 600 1HD2 LEU 72 1HD2 LEU 72 -18.626 13.981 -23.256 601 2HD2 LEU 72 2HD2 LEU 72 -18.098 13.070 -21.842 602 3HD2 LEU 72 3HD2 LEU 72 -16.911 13.653 -23.007 603 H ASP 73 H ASP 73 -15.269 15.619 -17.488 604 HA ASP 73 HA ASP 73 -14.374 12.889 -17.512 605 1HB ASP 73 2HB ASP 73 -14.456 15.092 -15.640 606 2HB ASP 73 1HB ASP 73 -14.954 13.600 -14.843 607 H ARG 74 H ARG 74 -17.493 14.181 -17.450 608 HA ARG 74 HA ARG 74 -18.843 12.412 -15.664 609 1HB ARG 74 2HB ARG 74 -19.995 13.448 -18.262 610 2HB ARG 74 1HB ARG 74 -20.855 13.074 -16.768 611 1HG ARG 74 2HG ARG 74 -18.731 15.008 -16.308 612 2HG ARG 74 1HG ARG 74 -19.868 15.581 -17.528 613 1HD ARG 74 2HD ARG 74 -21.581 15.762 -16.035 614 2HD ARG 74 1HD ARG 74 -21.106 14.304 -15.164 615 HE ARG 74 HE ARG 74 -19.872 15.668 -13.690 616 1HH1 ARG 74 1HH2 ARG 74 -18.602 16.923 -16.322 617 2HH1 ARG 74 2HH2 ARG 74 -18.821 18.600 -15.949 618 1HH2 ARG 74 2HH1 ARG 74 -21.017 18.000 -13.332 619 2HH2 ARG 74 1HH1 ARG 74 -20.187 19.210 -14.254 620 H LEU 75 H LEU 75 -17.922 12.076 -19.073 621 HA LEU 75 HA LEU 75 -19.266 9.565 -19.487 622 1HB LEU 75 2HB LEU 75 -18.337 11.166 -21.266 623 2HB LEU 75 1HB LEU 75 -16.757 10.467 -20.914 624 HG LEU 75 HG LEU 75 -18.415 8.246 -21.190 625 1HD1 LEU 75 1HD1 LEU 75 -19.913 10.224 -22.261 626 2HD1 LEU 75 2HD1 LEU 75 -19.922 8.575 -22.888 627 3HD1 LEU 75 3HD1 LEU 75 -18.932 9.809 -23.667 628 1HD2 LEU 75 1HD2 LEU 75 -17.170 8.835 -23.696 629 2HD2 LEU 75 2HD2 LEU 75 -16.607 7.737 -22.434 630 3HD2 LEU 75 3HD2 LEU 75 -16.116 9.432 -22.414 631 H LYS 76 H LYS 76 -16.219 10.468 -18.042 632 HA LYS 76 HA LYS 76 -14.899 7.931 -18.207 633 1HB LYS 76 2HB LYS 76 -14.325 10.460 -17.144 634 2HB LYS 76 1HB LYS 76 -14.308 9.375 -15.752 635 1HG LYS 76 2HG LYS 76 -12.877 7.816 -17.261 636 2HG LYS 76 1HG LYS 76 -12.623 9.256 -18.247 637 1HD LYS 76 2HD LYS 76 -11.641 10.446 -16.404 638 2HD LYS 76 1HD LYS 76 -12.112 9.185 -15.265 639 1HE LYS 76 2HE LYS 76 -9.824 8.753 -15.685 640 2HE LYS 76 1HE LYS 76 -10.675 7.601 -16.715 641 1HZ LYS 76 1HZ LYS 76 -10.153 10.205 -17.887 642 2HZ LYS 76 2HZ LYS 76 -10.040 8.657 -18.578 643 3HZ LYS 76 3HZ LYS 76 -8.783 9.247 -17.599 644 H GLU 77 H GLU 77 -17.341 9.209 -16.017 645 HA GLU 77 HA GLU 77 -17.076 7.304 -13.918 646 1HB GLU 77 2HB GLU 77 -18.782 9.429 -14.491 647 2HB GLU 77 1HB GLU 77 -19.849 8.024 -14.487 648 1HG GLU 77 2HG GLU 77 -18.306 7.506 -12.295 649 2HG GLU 77 1HG GLU 77 -18.365 9.269 -12.254 650 H ARG 78 H ARG 78 -19.156 7.222 -16.832 651 HA ARG 78 HA ARG 78 -20.137 4.556 -16.248 652 1HB ARG 78 2HB ARG 78 -20.645 6.609 -18.188 653 2HB ARG 78 1HB ARG 78 -20.345 5.091 -19.036 654 1HG ARG 78 2HG ARG 78 -22.230 5.301 -16.678 655 2HG ARG 78 1HG ARG 78 -22.764 5.500 -18.347 656 1HD ARG 78 2HD ARG 78 -21.347 3.198 -18.578 657 2HD ARG 78 1HD ARG 78 -21.916 3.046 -16.915 658 HE ARG 78 HE ARG 78 -23.809 3.553 -19.175 659 1HH1 ARG 78 2HH1 ARG 78 -24.930 3.548 -16.433 660 2HH1 ARG 78 1HH1 ARG 78 -25.433 1.903 -16.230 661 1HH2 ARG 78 1HH2 ARG 78 -23.536 0.716 -18.877 662 2HH2 ARG 78 2HH2 ARG 78 -24.643 0.300 -17.611 663 H LEU 79 H LEU 79 -17.425 5.862 -18.073 664 HA LEU 79 HA LEU 79 -16.761 3.559 -19.596 665 1HB LEU 79 2HB LEU 79 -15.560 6.067 -18.995 666 2HB LEU 79 1HB LEU 79 -14.362 4.820 -18.643 667 HG LEU 79 HG LEU 79 -14.859 3.812 -20.897 668 1HD1 LEU 79 1HD1 LEU 79 -17.001 4.619 -21.457 669 2HD1 LEU 79 2HD1 LEU 79 -15.928 5.556 -22.497 670 3HD1 LEU 79 3HD1 LEU 79 -16.585 6.280 -21.029 671 1HD2 LEU 79 1HD2 LEU 79 -12.940 5.374 -20.459 672 2HD2 LEU 79 2HD2 LEU 79 -13.963 6.709 -20.986 673 3HD2 LEU 79 3HD2 LEU 79 -13.523 5.434 -22.122 674 H VAL 80 H VAL 80 -15.612 4.537 -16.353 675 HA VAL 80 HA VAL 80 -13.938 2.431 -15.717 676 HB VAL 80 HB VAL 80 -16.093 3.473 -13.857 677 1HG1 VAL 80 1HG1 VAL 80 -13.907 3.156 -12.332 678 2HG1 VAL 80 2HG1 VAL 80 -13.549 1.941 -13.561 679 3HG1 VAL 80 3HG1 VAL 80 -15.040 1.835 -12.624 680 1HG2 VAL 80 1HG2 VAL 80 -13.826 4.808 -15.136 681 2HG2 VAL 80 2HG2 VAL 80 -13.731 4.870 -13.376 682 3HG2 VAL 80 3HG2 VAL 80 -15.153 5.503 -14.205 683 H GLY 81 H GLY 81 -14.441 0.421 -14.403 684 1HA GLY 81 2HA GLY 81 -15.816 -1.476 -13.922 685 2HA GLY 81 1HA GLY 81 -17.141 -0.694 -14.786 686 H ARG 82 H ARG 82 -16.018 -0.158 -17.236 687 HA ARG 82 HA ARG 82 -16.378 -2.380 -18.791 688 1HB ARG 82 2HB ARG 82 -15.363 0.156 -19.237 689 2HB ARG 82 1HB ARG 82 -14.025 -0.891 -19.711 690 1HG ARG 82 2HG ARG 82 -15.088 -1.395 -21.627 691 2HG ARG 82 1HG ARG 82 -16.450 -2.037 -20.708 692 1HD ARG 82 2HD ARG 82 -16.830 0.670 -20.446 693 2HD ARG 82 1HD ARG 82 -16.165 0.557 -22.075 694 HE ARG 82 HE ARG 82 -18.807 0.015 -21.571 695 1HH1 ARG 82 1HH2 ARG 82 -17.343 -0.646 -24.175 696 2HH1 ARG 82 2HH2 ARG 82 -17.721 -2.328 -24.346 697 1HH2 ARG 82 2HH1 ARG 82 -18.764 -2.702 -21.060 698 2HH2 ARG 82 1HH1 ARG 82 -18.524 -3.492 -22.583 699 H VAL 83 H VAL 83 -14.863 -3.893 -19.846 700 HA VAL 83 HA VAL 83 -12.797 -4.811 -17.916 701 HB VAL 83 HB VAL 83 -13.880 -6.239 -20.363 702 1HG1 VAL 83 1HG1 VAL 83 -12.721 -7.562 -17.936 703 2HG1 VAL 83 2HG1 VAL 83 -11.620 -6.826 -19.102 704 3HG1 VAL 83 3HG1 VAL 83 -12.721 -8.105 -19.615 705 1HG2 VAL 83 1HG2 VAL 83 -15.790 -6.470 -19.175 706 2HG2 VAL 83 2HG2 VAL 83 -15.064 -5.739 -17.743 707 3HG2 VAL 83 3HG2 VAL 83 -14.866 -7.465 -18.050 708 H ILE 84 H ILE 84 -10.627 -4.963 -18.519 709 HA ILE 84 HA ILE 84 -9.928 -4.248 -21.318 710 HB ILE 84 HB ILE 84 -8.486 -2.474 -20.703 711 1HG1 ILE 84 2HG1 ILE 84 -7.431 -3.603 -18.772 712 2HG1 ILE 84 1HG1 ILE 84 -7.915 -1.960 -18.352 713 1HG2 ILE 84 1HG2 ILE 84 -10.698 -1.626 -20.632 714 2HG2 ILE 84 2HG2 ILE 84 -9.959 -1.047 -19.139 715 3HG2 ILE 84 3HG2 ILE 84 -11.047 -2.434 -19.104 716 1HD1 ILE 84 1HD1 ILE 84 -9.100 -4.566 -17.479 717 2HD1 ILE 84 2HD1 ILE 84 -10.164 -3.167 -17.625 718 3HD1 ILE 84 3HD1 ILE 84 -8.778 -3.112 -16.536 719 H LYS 85 H LYS 85 -7.536 -4.614 -21.704 720 HA LYS 85 HA LYS 85 -6.678 -7.040 -20.195 721 1HB LYS 85 2HB LYS 85 -5.356 -6.152 -22.736 722 2HB LYS 85 1HB LYS 85 -5.636 -7.786 -22.134 723 1HG LYS 85 2HG LYS 85 -8.198 -6.971 -22.426 724 2HG LYS 85 1HG LYS 85 -7.436 -6.009 -23.692 725 1HD LYS 85 2HD LYS 85 -6.291 -8.199 -24.421 726 2HD LYS 85 1HD LYS 85 -7.473 -9.013 -23.395 727 1HE LYS 85 2HE LYS 85 -8.739 -7.014 -25.090 728 2HE LYS 85 1HE LYS 85 -7.860 -8.206 -26.046 729 1HZ LYS 85 1HZ LYS 85 -9.657 -9.014 -23.845 730 2HZ LYS 85 2HZ LYS 85 -9.089 -9.947 -25.146 731 3HZ LYS 85 3HZ LYS 85 -10.250 -8.736 -25.410 732 H THR 86 H THR 86 -5.364 -6.397 -18.531 733 HA THR 86 HA THR 86 -3.242 -4.382 -19.173 734 HB THR 86 HB THR 86 -3.264 -4.177 -16.548 735 HG1 THR 86 HG1 THR 86 -4.851 -5.962 -16.508 736 1HG2 THR 86 1HG2 THR 86 -5.389 -2.616 -16.894 737 2HG2 THR 86 2HG2 THR 86 -5.099 -3.000 -18.591 738 3HG2 THR 86 3HG2 THR 86 -3.837 -2.222 -17.635 739 H ARG 87 H ARG 87 -1.315 -4.699 -17.541 740 HA ARG 87 HA ARG 87 -0.581 -7.576 -17.685 741 1HB ARG 87 2HB ARG 87 1.028 -5.032 -17.404 742 2HB ARG 87 1HB ARG 87 1.742 -6.623 -17.136 743 1HG ARG 87 2HG ARG 87 2.073 -5.856 -19.472 744 2HG ARG 87 1HG ARG 87 1.091 -7.320 -19.399 745 1HD ARG 87 2HD ARG 87 -0.859 -6.208 -19.981 746 2HD ARG 87 1HD ARG 87 -0.301 -4.669 -19.325 747 HE ARG 87 HE ARG 87 1.313 -4.682 -21.351 748 1HH1 ARG 87 2HH1 ARG 87 -2.018 -5.279 -21.275 749 2HH1 ARG 87 1HH1 ARG 87 -2.162 -5.613 -22.968 750 1HH2 ARG 87 1HH2 ARG 87 1.256 -5.534 -23.545 751 2HH2 ARG 87 2HH2 ARG 87 -0.309 -5.760 -24.253 752 H VAL 88 H VAL 88 0.643 -8.459 -15.788 753 HA VAL 88 HA VAL 88 -0.648 -7.541 -13.275 754 HB VAL 88 HB VAL 88 0.856 -10.069 -14.007 755 1HG1 VAL 88 1HG1 VAL 88 1.153 -10.488 -11.817 756 2HG1 VAL 88 2HG1 VAL 88 -0.562 -10.217 -11.507 757 3HG1 VAL 88 3HG1 VAL 88 0.567 -8.864 -11.454 758 1HG2 VAL 88 1HG2 VAL 88 -2.020 -9.287 -13.645 759 2HG2 VAL 88 2HG2 VAL 88 -1.527 -10.932 -13.241 760 3HG2 VAL 88 3HG2 VAL 88 -1.290 -10.317 -14.877 761 H VAL 89 H VAL 89 0.508 -6.469 -11.750 762 HA VAL 89 HA VAL 89 3.346 -5.933 -12.271 763 HB VAL 89 HB VAL 89 1.417 -4.963 -10.155 764 1HG1 VAL 89 1HG1 VAL 89 3.140 -3.527 -9.320 765 2HG1 VAL 89 2HG1 VAL 89 4.225 -3.950 -10.643 766 3HG1 VAL 89 3HG1 VAL 89 3.850 -5.139 -9.397 767 1HG2 VAL 89 1HG2 VAL 89 1.544 -4.242 -12.747 768 2HG2 VAL 89 2HG2 VAL 89 2.790 -3.176 -12.099 769 3HG2 VAL 89 3HG2 VAL 89 1.146 -3.096 -11.466 770 H ARG 90 H ARG 90 1.388 -7.744 -9.950 771 HA ARG 90 HA ARG 90 3.221 -9.680 -9.285 772 1HB ARG 90 2HB ARG 90 4.068 -7.119 -8.228 773 2HB ARG 90 1HB ARG 90 3.750 -8.252 -6.912 774 1HG ARG 90 2HG ARG 90 5.560 -9.507 -7.424 775 2HG ARG 90 1HG ARG 90 5.166 -9.506 -9.143 776 1HD ARG 90 2HD ARG 90 6.362 -7.543 -9.551 777 2HD ARG 90 1HD ARG 90 6.254 -7.009 -7.874 778 HE ARG 90 HE ARG 90 8.110 -9.119 -8.874 779 1HH1 ARG 90 2HH1 ARG 90 6.707 -8.084 -6.018 780 2HH1 ARG 90 1HH1 ARG 90 8.195 -7.772 -5.189 781 1HH2 ARG 90 1HH2 ARG 90 10.167 -8.217 -8.007 782 2HH2 ARG 90 2HH2 ARG 90 10.155 -7.846 -6.316 783 H ALA 91 H ALA 91 1.728 -11.051 -8.532 784 HA ALA 91 HA ALA 91 -0.414 -10.053 -6.732 785 1HB ALA 91 1HB ALA 91 -1.732 -11.730 -7.556 786 2HB ALA 91 2HB ALA 91 -0.404 -12.890 -7.594 787 3HB ALA 91 3HB ALA 91 -0.576 -11.703 -8.887 788 H ASP 92 H ASP 92 -0.819 -11.109 -4.707 789 HA ASP 92 HA ASP 92 1.438 -12.799 -3.712 790 1HB ASP 92 2HB ASP 92 0.927 -10.212 -2.895 791 2HB ASP 92 1HB ASP 92 0.075 -11.169 -1.683 792 H GLY 93 H GLY 93 -1.693 -11.681 -2.432 793 1HA GLY 93 2HA GLY 93 -2.616 -14.506 -2.354 794 2HA GLY 93 1HA GLY 93 -2.616 -13.582 -0.849 795 H LEU 94 H LEU 94 -3.865 -11.494 -0.909 796 HA LEU 94 HA LEU 94 -6.279 -11.810 -2.647 797 1HB LEU 94 2HB LEU 94 -5.886 -10.962 0.188 798 2HB LEU 94 1HB LEU 94 -7.165 -10.162 -0.725 799 HG LEU 94 HG LEU 94 -8.182 -12.303 -1.275 800 1HD1 LEU 94 1HD1 LEU 94 -6.478 -13.861 -1.548 801 2HD1 LEU 94 2HD1 LEU 94 -7.086 -14.323 0.041 802 3HD1 LEU 94 3HD1 LEU 94 -5.628 -13.340 -0.093 803 1HD2 LEU 94 1HD2 LEU 94 -8.799 -11.313 0.889 804 2HD2 LEU 94 2HD2 LEU 94 -7.432 -12.117 1.661 805 3HD2 LEU 94 3HD2 LEU 94 -8.768 -13.072 1.017 806 H TYR 95 H TYR 95 -3.704 -9.690 -1.650 807 HA TYR 95 HA TYR 95 -4.916 -7.421 -3.152 808 1HB TYR 95 2HB TYR 95 -2.322 -7.365 -1.599 809 2HB TYR 95 1HB TYR 95 -3.367 -6.010 -2.028 810 HD1 TYR 95 HD1 TYR 95 -6.011 -6.715 -1.286 811 HD2 TYR 95 HD2 TYR 95 -2.343 -7.747 0.702 812 HE1 TYR 95 HE1 TYR 95 -7.246 -6.989 0.849 813 HE2 TYR 95 HE2 TYR 95 -3.579 -8.021 2.837 814 HH TYR 95 HH TYR 95 -6.495 -8.580 3.214 815 H VAL 96 H VAL 96 -4.052 -6.785 -5.119 816 HA VAL 96 HA VAL 96 -1.438 -7.966 -5.932 817 HB VAL 96 HB VAL 96 -3.975 -8.052 -7.593 818 1HG1 VAL 96 1HG1 VAL 96 -1.246 -9.230 -8.186 819 2HG1 VAL 96 2HG1 VAL 96 -1.804 -7.689 -8.838 820 3HG1 VAL 96 3HG1 VAL 96 -2.644 -9.181 -9.259 821 1HG2 VAL 96 1HG2 VAL 96 -4.281 -9.848 -6.181 822 2HG2 VAL 96 2HG2 VAL 96 -2.558 -10.010 -5.841 823 3HG2 VAL 96 3HG2 VAL 96 -3.218 -10.616 -7.361 824 H ASP 97 H ASP 97 -0.347 -6.748 -7.582 825 HA ASP 97 HA ASP 97 -1.329 -3.940 -7.778 826 1HB ASP 97 2HB ASP 97 1.377 -5.214 -8.260 827 2HB ASP 97 1HB ASP 97 1.022 -3.538 -8.681 828 H LEU 98 H LEU 98 -1.324 -2.895 -9.922 829 HA LEU 98 HA LEU 98 -1.288 -4.801 -12.210 830 1HB LEU 98 2HB LEU 98 -3.640 -3.827 -11.000 831 2HB LEU 98 1HB LEU 98 -3.455 -2.908 -12.494 832 HG LEU 98 HG LEU 98 -4.738 -5.092 -12.718 833 1HD1 LEU 98 1HD1 LEU 98 -4.049 -4.368 -14.790 834 2HD1 LEU 98 2HD1 LEU 98 -3.059 -5.822 -14.682 835 3HD1 LEU 98 3HD1 LEU 98 -2.360 -4.248 -14.304 836 1HD2 LEU 98 1HD2 LEU 98 -2.058 -6.451 -12.668 837 2HD2 LEU 98 2HD2 LEU 98 -3.664 -7.147 -12.452 838 3HD2 LEU 98 3HD2 LEU 98 -2.926 -6.212 -11.152 839 H ARG 99 H ARG 99 -0.554 -3.934 -14.101 840 HA ARG 99 HA ARG 99 -0.318 -0.984 -14.350 841 1HB ARG 99 2HB ARG 99 2.039 -1.089 -14.903 842 2HB ARG 99 1HB ARG 99 1.818 -1.885 -13.344 843 1HG ARG 99 2HG ARG 99 2.989 -3.579 -14.318 844 2HG ARG 99 1HG ARG 99 1.434 -3.977 -15.051 845 1HD ARG 99 2HD ARG 99 2.103 -3.311 -17.113 846 2HD ARG 99 1HD ARG 99 2.913 -1.877 -16.483 847 HE ARG 99 HE ARG 99 4.900 -3.104 -16.712 848 1HH1 ARG 99 1HH2 ARG 99 3.399 -5.357 -18.117 849 2HH1 ARG 99 2HH2 ARG 99 3.843 -6.715 -17.138 850 1HH2 ARG 99 2HH1 ARG 99 4.990 -4.778 -14.501 851 2HH2 ARG 99 1HH1 ARG 99 4.744 -6.387 -15.092 852 H ARG 100 H ARG 100 -1.001 -0.443 -16.381 853 HA ARG 100 HA ARG 100 -1.327 -2.583 -18.386 854 1HB ARG 100 2HB ARG 100 -2.960 -0.573 -17.805 855 2HB ARG 100 1HB ARG 100 -1.946 0.291 -18.962 856 1HG ARG 100 2HG ARG 100 -2.443 -1.275 -20.704 857 2HG ARG 100 1HG ARG 100 -3.192 -2.398 -19.569 858 1HD ARG 100 2HD ARG 100 -5.005 -0.829 -19.142 859 2HD ARG 100 1HD ARG 100 -4.230 0.390 -20.154 860 HE ARG 100 HE ARG 100 -6.014 -1.438 -21.190 861 1HH1 ARG 100 2HH1 ARG 100 -3.496 0.322 -22.326 862 2HH1 ARG 100 1HH1 ARG 100 -3.048 -0.748 -23.611 863 1HH2 ARG 100 1HH2 ARG 100 -5.071 -3.342 -22.513 864 2HH2 ARG 100 2HH2 ARG 100 -3.938 -2.823 -23.717 865 H PHE 101 H PHE 101 -0.694 -1.946 -20.724 866 HA PHE 101 HA PHE 101 1.459 -0.084 -21.147 867 1HB PHE 101 2HB PHE 101 2.399 -2.193 -19.778 868 2HB PHE 101 1HB PHE 101 2.489 -2.870 -21.404 869 HD1 PHE 101 HD1 PHE 101 3.563 -0.015 -19.272 870 HD2 PHE 101 HD2 PHE 101 4.126 -2.123 -22.975 871 HE1 PHE 101 HE1 PHE 101 5.621 1.301 -19.709 872 HE2 PHE 101 HE2 PHE 101 6.183 -0.807 -23.413 873 HZ PHE 101 HZ PHE 101 6.930 0.905 -21.780 874 H PHE 102 HN PHE 102 -0.290 0.147 -22.837 875 HA PHE 102 HA PHE 102 -1.075 -0.181 -25.026 876 1HB PHE 102 2HB PHE 102 1.803 -0.875 -25.029 877 2HB PHE 102 1HB PHE 102 0.880 -1.498 -26.397 878 HD1 PHE 102 HD1 PHE 102 1.642 1.615 -24.481 879 HD2 PHE 102 HD2 PHE 102 0.186 -0.070 -28.157 880 HE1 PHE 102 HE1 PHE 102 1.650 3.870 -25.520 881 HE2 PHE 102 HE2 PHE 102 0.195 2.184 -29.194 882 HZ PHE 102 HZ PHE 102 0.927 4.154 -27.875 Start of MODEL 15 1 1H MET 1 1H MET 1 17.903 -47.730 1.547 2 2H MET 1 2H MET 1 16.362 -47.521 0.862 3 3H MET 1 3H MET 1 17.547 -48.419 0.039 4 HA MET 1 HA MET 1 16.929 -49.366 2.704 5 1HB MET 1 2HB MET 1 14.806 -50.326 2.137 6 2HB MET 1 1HB MET 1 14.701 -48.615 1.724 7 1HG MET 1 2HG MET 1 15.319 -49.207 -0.635 8 2HG MET 1 1HG MET 1 15.234 -50.910 -0.183 9 1HE MET 1 1HE MET 1 13.745 -51.703 -1.634 10 2HE MET 1 2HE MET 1 13.265 -50.290 -2.571 11 3HE MET 1 3HE MET 1 12.031 -51.318 -1.847 12 H THR 2 H THR 2 17.942 -51.320 2.812 13 HA THR 2 HA THR 2 19.179 -53.185 2.100 14 HB THR 2 HB THR 2 17.299 -53.217 -0.269 15 HG1 THR 2 HG1 THR 2 15.735 -53.860 1.016 16 1HG2 THR 2 1HG2 THR 2 19.300 -54.971 0.781 17 2HG2 THR 2 2HG2 THR 2 18.258 -55.215 -0.622 18 3HG2 THR 2 3HG2 THR 2 17.727 -55.744 0.974 19 H VAL 3 H VAL 3 20.278 -50.704 1.342 20 HA VAL 3 HA VAL 3 21.084 -50.991 -1.492 21 HB VAL 3 HB VAL 3 21.880 -48.893 0.551 22 1HG1 VAL 3 1HG1 VAL 3 22.802 -47.684 -1.249 23 2HG1 VAL 3 2HG1 VAL 3 21.932 -48.635 -2.452 24 3HG1 VAL 3 3HG1 VAL 3 23.296 -49.342 -1.587 25 1HG2 VAL 3 1HG2 VAL 3 20.099 -47.564 -0.220 26 2HG2 VAL 3 2HG2 VAL 3 19.374 -49.169 -0.132 27 3HG2 VAL 3 3HG2 VAL 3 19.896 -48.520 -1.687 28 H ILE 4 H ILE 4 22.580 -52.633 -1.673 29 HA ILE 4 HA ILE 4 24.778 -52.772 0.324 30 HB ILE 4 HB ILE 4 23.942 -54.660 -1.898 31 1HG1 ILE 4 2HG1 ILE 4 23.986 -55.528 0.923 32 2HG1 ILE 4 1HG1 ILE 4 22.799 -54.273 0.568 33 1HG2 ILE 4 1HG2 ILE 4 25.603 -56.198 -0.731 34 2HG2 ILE 4 2HG2 ILE 4 26.208 -54.767 0.106 35 3HG2 ILE 4 3HG2 ILE 4 26.315 -54.873 -1.652 36 1HD1 ILE 4 1HD1 ILE 4 22.893 -57.090 -0.336 37 2HD1 ILE 4 2HD1 ILE 4 22.437 -55.917 -1.572 38 3HD1 ILE 4 3HD1 ILE 4 21.502 -56.035 -0.081 39 H LYS 5 H LYS 5 24.716 -53.349 -3.203 40 HA LYS 5 HA LYS 5 26.639 -51.187 -3.671 41 1HB LYS 5 2HB LYS 5 28.065 -53.062 -2.824 42 2HB LYS 5 1HB LYS 5 27.483 -54.059 -4.158 43 1HG LYS 5 2HG LYS 5 28.728 -52.938 -5.717 44 2HG LYS 5 1HG LYS 5 28.537 -51.386 -4.903 45 1HD LYS 5 2HD LYS 5 30.031 -52.707 -3.062 46 2HD LYS 5 1HD LYS 5 30.618 -53.467 -4.541 47 1HE LYS 5 2HE LYS 5 31.751 -51.611 -5.144 48 2HE LYS 5 1HE LYS 5 30.349 -50.583 -4.853 49 1HZ LYS 5 1HZ LYS 5 31.109 -50.000 -2.859 50 2HZ LYS 5 2HZ LYS 5 32.605 -50.637 -3.352 51 3HZ LYS 5 3HZ LYS 5 31.532 -51.589 -2.442 52 HA PRO 6 HA PRO 6 23.919 -52.298 -7.217 53 1HB PRO 6 2HB PRO 6 22.910 -49.759 -7.527 54 2HB PRO 6 1HB PRO 6 22.187 -50.978 -6.462 55 1HG PRO 6 2HG PRO 6 23.801 -48.575 -5.741 56 2HG PRO 6 1HG PRO 6 22.572 -49.427 -4.792 57 1HD PRO 6 2HD PRO 6 25.374 -49.657 -4.463 58 2HD PRO 6 1HD PRO 6 24.149 -50.737 -3.764 59 H SER 7 H SER 7 23.685 -50.326 -9.195 60 HA SER 7 HA SER 7 26.519 -49.569 -9.777 61 1HB SER 7 2HB SER 7 25.998 -50.126 -12.187 62 2HB SER 7 1HB SER 7 26.052 -51.524 -11.116 63 HG SER 7 HG SER 7 24.094 -51.882 -11.767 64 H SER 8 H SER 8 24.023 -48.112 -8.803 65 HA SER 8 HA SER 8 23.513 -46.278 -11.074 66 1HB SER 8 2HB SER 8 21.954 -45.202 -9.322 67 2HB SER 8 1HB SER 8 21.521 -46.807 -9.907 68 HG SER 8 HG SER 8 22.125 -46.002 -7.414 69 H ARG 9 H ARG 9 23.815 -43.951 -10.784 70 HA ARG 9 HA ARG 9 25.483 -43.058 -8.530 71 1HB ARG 9 2HB ARG 9 26.517 -43.398 -11.329 72 2HB ARG 9 1HB ARG 9 27.113 -42.058 -10.348 73 1HG ARG 9 2HG ARG 9 27.676 -43.692 -8.541 74 2HG ARG 9 1HG ARG 9 27.202 -45.002 -9.624 75 1HD ARG 9 2HD ARG 9 28.927 -44.362 -11.222 76 2HD ARG 9 1HD ARG 9 29.350 -42.953 -10.247 77 HE ARG 9 HE ARG 9 29.656 -45.123 -8.526 78 1HH1 ARG 9 2HH1 ARG 9 31.893 -43.319 -9.529 79 2HH1 ARG 9 1HH1 ARG 9 32.956 -44.475 -10.260 80 1HH2 ARG 9 1HH2 ARG 9 30.572 -46.992 -10.369 81 2HH2 ARG 9 2HH2 ARG 9 32.207 -46.554 -10.738 82 HA PRO 10 HA PRO 10 23.310 -39.350 -9.419 83 1HB PRO 10 2HB PRO 10 24.943 -37.587 -8.081 84 2HB PRO 10 1HB PRO 10 23.822 -38.695 -7.270 85 1HG PRO 10 2HG PRO 10 26.791 -38.863 -7.494 86 2HG PRO 10 1HG PRO 10 25.721 -39.521 -6.246 87 1HD PRO 10 2HD PRO 10 26.898 -40.988 -8.359 88 2HD PRO 10 1HD PRO 10 25.576 -41.545 -7.310 89 H ARG 11 H ARG 11 26.699 -39.650 -10.275 90 HA ARG 11 HA ARG 11 26.332 -37.437 -12.256 91 1HB ARG 11 2HB ARG 11 29.002 -37.608 -12.146 92 2HB ARG 11 1HB ARG 11 28.090 -36.602 -11.022 93 1HG ARG 11 2HG ARG 11 28.127 -38.347 -9.337 94 2HG ARG 11 1HG ARG 11 28.866 -39.480 -10.469 95 1HD ARG 11 2HD ARG 11 30.774 -38.758 -9.396 96 2HD ARG 11 1HD ARG 11 30.679 -37.518 -10.646 97 HE ARG 11 HE ARG 11 30.349 -37.073 -7.813 98 1HH1 ARG 11 2HH1 ARG 11 31.272 -34.953 -9.664 99 2HH1 ARG 11 1HH1 ARG 11 29.904 -33.895 -9.747 100 1HH2 ARG 11 1HH2 ARG 11 27.686 -36.228 -8.458 101 2HH2 ARG 11 2HH2 ARG 11 27.874 -34.616 -9.063 102 HA PRO 12 HA PRO 12 26.895 -41.305 -14.646 103 1HB PRO 12 2HB PRO 12 24.880 -40.733 -16.429 104 2HB PRO 12 1HB PRO 12 24.618 -41.580 -14.895 105 1HG PRO 12 2HG PRO 12 23.946 -38.768 -15.623 106 2HG PRO 12 1HG PRO 12 23.195 -39.825 -14.415 107 1HD PRO 12 2HD PRO 12 25.046 -37.745 -13.886 108 2HD PRO 12 1HD PRO 12 24.534 -39.007 -12.744 109 H ARG 13 H ARG 13 26.439 -37.943 -15.670 110 HA ARG 13 HA ARG 13 28.811 -37.842 -17.225 111 1HB ARG 13 2HB ARG 13 26.976 -39.363 -18.551 112 2HB ARG 13 1HB ARG 13 26.590 -37.759 -19.180 113 1HG ARG 13 2HG ARG 13 29.266 -37.631 -19.358 114 2HG ARG 13 1HG ARG 13 29.070 -39.378 -19.507 115 1HD ARG 13 2HD ARG 13 28.903 -38.658 -21.734 116 2HD ARG 13 1HD ARG 13 27.214 -38.780 -21.242 117 HE ARG 13 HE ARG 13 27.708 -36.185 -20.660 118 1HH1 ARG 13 1HH2 ARG 13 30.111 -36.372 -22.500 119 2HH1 ARG 13 2HH2 ARG 13 29.435 -35.841 -24.003 120 1HH2 ARG 13 2HH1 ARG 13 26.149 -36.261 -22.977 121 2HH2 ARG 13 1HH1 ARG 13 27.190 -35.778 -24.274 122 H LYS 14 H LYS 14 29.265 -35.691 -17.326 123 HA LYS 14 HA LYS 14 27.262 -33.720 -18.063 124 1HB LYS 14 2HB LYS 14 27.850 -34.252 -15.208 125 2HB LYS 14 1HB LYS 14 27.889 -32.554 -15.684 126 1HG LYS 14 2HG LYS 14 25.630 -33.391 -16.965 127 2HG LYS 14 1HG LYS 14 25.597 -34.414 -15.529 128 1HD LYS 14 2HD LYS 14 25.308 -32.639 -14.099 129 2HD LYS 14 1HD LYS 14 26.243 -31.538 -15.111 130 1HE LYS 14 2HE LYS 14 24.012 -32.237 -16.666 131 2HE LYS 14 1HE LYS 14 23.374 -31.967 -15.044 132 1HZ LYS 14 1HZ LYS 14 25.313 -30.056 -16.129 133 2HZ LYS 14 2HZ LYS 14 24.040 -29.801 -15.034 134 3HZ LYS 14 3HZ LYS 14 23.715 -29.988 -16.691 135 H ASN 15 H ASN 15 29.434 -33.954 -19.450 136 HA ASN 15 HA ASN 15 31.663 -32.399 -18.307 137 1HB ASN 15 2HB ASN 15 31.256 -33.614 -21.057 138 2HB ASN 15 1HB ASN 15 32.736 -32.819 -20.517 139 1HD2 ASN 15 1HD2 ASN 15 32.021 -35.785 -21.176 140 2HD2 ASN 15 2HD2 ASN 15 32.624 -36.636 -19.837 141 H LYS 16 H LYS 16 31.038 -30.251 -18.125 142 HA LYS 16 HA LYS 16 30.406 -28.099 -18.821 143 1HB LYS 16 2HB LYS 16 32.202 -29.144 -20.701 144 2HB LYS 16 1HB LYS 16 30.883 -28.479 -21.667 145 1HG LYS 16 2HG LYS 16 31.058 -26.362 -20.315 146 2HG LYS 16 1HG LYS 16 32.502 -27.032 -19.554 147 1HD LYS 16 2HD LYS 16 33.696 -26.223 -21.282 148 2HD LYS 16 1HD LYS 16 32.887 -27.403 -22.312 149 1HE LYS 16 2HE LYS 16 31.589 -24.763 -21.647 150 2HE LYS 16 1HE LYS 16 32.718 -24.914 -22.994 151 1HZ LYS 16 1HZ LYS 16 30.561 -26.881 -22.771 152 2HZ LYS 16 2HZ LYS 16 31.307 -26.242 -24.157 153 3HZ LYS 16 3HZ LYS 16 30.160 -25.322 -23.306 154 H ASN 17 H ASN 17 28.194 -27.924 -18.654 155 HA ASN 17 HA ASN 17 26.628 -28.354 -21.117 156 1HB ASN 17 2HB ASN 17 26.334 -30.511 -20.094 157 2HB ASN 17 1HB ASN 17 26.055 -29.786 -18.511 158 1HD2 ASN 17 1HD2 ASN 17 23.982 -31.277 -18.955 159 2HD2 ASN 17 2HD2 ASN 17 22.659 -30.470 -19.647 160 H ILE 18 H ILE 18 25.870 -26.284 -21.290 161 HA ILE 18 HA ILE 18 25.442 -24.442 -19.210 162 HB ILE 18 HB ILE 18 23.924 -24.690 -21.825 163 1HG1 ILE 18 2HG1 ILE 18 25.875 -22.577 -21.705 164 2HG1 ILE 18 1HG1 ILE 18 26.647 -24.101 -21.264 165 1HG2 ILE 18 1HG2 ILE 18 23.483 -22.275 -21.507 166 2HG2 ILE 18 2HG2 ILE 18 24.272 -22.345 -19.933 167 3HG2 ILE 18 3HG2 ILE 18 22.774 -23.233 -20.207 168 1HD1 ILE 18 1HD1 ILE 18 26.828 -24.048 -23.618 169 2HD1 ILE 18 2HD1 ILE 18 25.199 -23.402 -23.815 170 3HD1 ILE 18 3HD1 ILE 18 25.429 -25.082 -23.329 171 H LYS 19 H LYS 19 23.492 -23.789 -18.101 172 HA LYS 19 HA LYS 19 21.436 -24.158 -17.019 173 1HB LYS 19 2HB LYS 19 21.144 -25.391 -19.623 174 2HB LYS 19 1HB LYS 19 20.294 -26.335 -18.399 175 1HG LYS 19 2HG LYS 19 19.553 -23.860 -17.626 176 2HG LYS 19 1HG LYS 19 19.776 -23.566 -19.351 177 1HD LYS 19 2HD LYS 19 17.592 -24.301 -19.400 178 2HD LYS 19 1HD LYS 19 18.407 -25.860 -19.523 179 1HE LYS 19 2HE LYS 19 17.734 -24.671 -16.836 180 2HE LYS 19 1HE LYS 19 16.546 -25.613 -17.737 181 1HZ LYS 19 1HZ LYS 19 18.376 -27.344 -17.916 182 2HZ LYS 19 2HZ LYS 19 17.638 -27.156 -16.399 183 3HZ LYS 19 3HZ LYS 19 19.170 -26.482 -16.691 184 H VAL 20 H VAL 20 21.653 -25.126 -15.061 185 HA VAL 20 HA VAL 20 22.553 -27.978 -15.006 186 HB VAL 20 HB VAL 20 23.334 -27.518 -12.714 187 1HG1 VAL 20 1HG1 VAL 20 24.594 -25.211 -13.947 188 2HG1 VAL 20 2HG1 VAL 20 24.433 -26.532 -15.103 189 3HG1 VAL 20 3HG1 VAL 20 25.284 -26.792 -13.582 190 1HG2 VAL 20 1HG2 VAL 20 22.366 -25.811 -11.598 191 2HG2 VAL 20 2HG2 VAL 20 21.655 -25.184 -13.085 192 3HG2 VAL 20 3HG2 VAL 20 23.284 -24.700 -12.613 193 H ASN 21 H ASN 21 21.507 -29.368 -13.411 194 HA ASN 21 HA ASN 21 19.549 -30.272 -12.479 195 1HB ASN 21 2HB ASN 21 20.296 -28.137 -10.984 196 2HB ASN 21 1HB ASN 21 18.683 -27.618 -11.473 197 1HD2 ASN 21 1HD2 ASN 21 17.029 -28.366 -10.141 198 2HD2 ASN 21 2HD2 ASN 21 17.116 -29.752 -9.165 199 H THR 22 H THR 22 17.041 -28.982 -12.027 200 HA THR 22 HA THR 22 16.159 -27.842 -14.583 201 HB THR 22 HB THR 22 14.586 -30.241 -13.840 202 HG1 THR 22 HG1 THR 22 16.341 -31.406 -13.771 203 1HG2 THR 22 1HG2 THR 22 15.664 -29.095 -16.431 204 2HG2 THR 22 2HG2 THR 22 14.033 -28.885 -15.793 205 3HG2 THR 22 3HG2 THR 22 14.576 -30.478 -16.319 206 H TYR 23 H TYR 23 14.080 -26.856 -14.371 207 HA TYR 23 HA TYR 23 12.337 -25.823 -13.182 208 1HB TYR 23 2HB TYR 23 11.921 -28.370 -12.722 209 2HB TYR 23 1HB TYR 23 12.533 -27.999 -11.110 210 HD1 TYR 23 HD1 TYR 23 10.400 -26.070 -13.525 211 HD2 TYR 23 HD2 TYR 23 10.745 -27.830 -9.619 212 HE1 TYR 23 HE1 TYR 23 8.193 -25.123 -12.902 213 HE2 TYR 23 HE2 TYR 23 8.538 -26.881 -8.996 214 HH TYR 23 HH TYR 23 6.959 -24.510 -10.888 215 H ARG 24 H ARG 24 12.779 -23.992 -12.057 216 HA ARG 24 HA ARG 24 14.654 -24.204 -9.735 217 1HB ARG 24 2HB ARG 24 15.179 -21.814 -10.162 218 2HB ARG 24 1HB ARG 24 15.560 -22.827 -11.554 219 1HG ARG 24 2HG ARG 24 13.270 -22.246 -12.473 220 2HG ARG 24 1HG ARG 24 13.135 -21.055 -11.182 221 1HD ARG 24 2HD ARG 24 14.908 -19.756 -12.029 222 2HD ARG 24 1HD ARG 24 15.536 -21.087 -13.002 223 HE ARG 24 HE ARG 24 12.908 -20.469 -13.915 224 1HH1 ARG 24 1HH2 ARG 24 16.111 -20.215 -14.735 225 2HH1 ARG 24 2HH2 ARG 24 15.945 -18.812 -15.738 226 1HH2 ARG 24 2HH1 ARG 24 12.666 -18.198 -14.791 227 2HH2 ARG 24 1HH1 ARG 24 13.994 -17.669 -15.770 228 H THR 25 H THR 25 14.217 -22.501 -8.022 229 HA THR 25 HA THR 25 11.284 -22.372 -7.545 230 HB THR 25 HB THR 25 12.531 -21.440 -5.255 231 HG1 THR 25 HG1 THR 25 14.385 -22.448 -5.029 232 1HG2 THR 25 1HG2 THR 25 11.645 -23.347 -4.293 233 2HG2 THR 25 2HG2 THR 25 12.163 -24.385 -5.622 234 3HG2 THR 25 3HG2 THR 25 10.760 -23.335 -5.818 235 H SER 26 H SER 26 13.572 -20.446 -8.913 236 HA SER 26 HA SER 26 12.797 -17.923 -7.610 237 1HB SER 26 2HB SER 26 14.174 -17.326 -9.973 238 2HB SER 26 1HB SER 26 14.862 -17.405 -8.353 239 HG SER 26 HG SER 26 15.708 -18.829 -10.172 240 H ALA 27 H ALA 27 11.722 -16.196 -8.785 241 HA ALA 27 HA ALA 27 10.036 -15.360 -10.187 242 1HB ALA 27 1HB ALA 27 10.659 -15.572 -12.340 243 2HB ALA 27 2HB ALA 27 10.209 -17.278 -12.340 244 3HB ALA 27 3HB ALA 27 11.828 -16.793 -11.837 245 H MET 28 H MET 28 7.828 -15.740 -10.399 246 HA MET 28 HA MET 28 6.922 -18.469 -9.604 247 1HB MET 28 2HB MET 28 5.304 -15.908 -9.607 248 2HB MET 28 1HB MET 28 4.902 -17.429 -8.809 249 1HG MET 28 2HG MET 28 5.825 -16.401 -6.988 250 2HG MET 28 1HG MET 28 7.337 -16.947 -7.712 251 1HE MET 28 1HE MET 28 9.357 -14.205 -8.157 252 2HE MET 28 2HE MET 28 8.997 -15.858 -7.665 253 3HE MET 28 3HE MET 28 8.824 -14.545 -6.504 254 H ASP 29 H ASP 29 5.144 -19.430 -10.769 255 HA ASP 29 HA ASP 29 5.094 -18.616 -13.617 256 1HB ASP 29 2HB ASP 29 3.893 -21.050 -12.260 257 2HB ASP 29 1HB ASP 29 4.021 -20.788 -13.999 258 H LEU 30 H LEU 30 3.381 -17.822 -10.911 259 HA LEU 30 HA LEU 30 0.666 -18.119 -11.506 260 1HB LEU 30 2HB LEU 30 1.972 -16.837 -9.550 261 2HB LEU 30 1HB LEU 30 1.553 -15.438 -10.541 262 HG LEU 30 HG LEU 30 -0.832 -16.302 -10.564 263 1HD1 LEU 30 1HD1 LEU 30 -0.074 -17.922 -8.153 264 2HD1 LEU 30 2HD1 LEU 30 0.087 -18.634 -9.759 265 3HD1 LEU 30 3HD1 LEU 30 -1.488 -18.072 -9.197 266 1HD2 LEU 30 1HD2 LEU 30 -1.150 -14.814 -8.900 267 2HD2 LEU 30 2HD2 LEU 30 0.590 -14.837 -8.615 268 3HD2 LEU 30 3HD2 LEU 30 -0.465 -15.928 -7.716 269 H SER 31 H SER 31 2.385 -15.074 -12.187 270 HA SER 31 HA SER 31 1.576 -15.023 -14.968 271 1HB SER 31 2HB SER 31 -0.399 -14.238 -13.130 272 2HB SER 31 1HB SER 31 0.262 -12.733 -13.762 273 HG SER 31 HG SER 31 -0.800 -14.930 -15.209 274 HA PRO 32 HA PRO 32 4.996 -12.200 -13.686 275 1HB PRO 32 2HB PRO 32 6.889 -13.377 -15.296 276 2HB PRO 32 1HB PRO 32 6.568 -13.889 -13.630 277 1HG PRO 32 2HG PRO 32 5.813 -15.229 -16.184 278 2HG PRO 32 1HG PRO 32 6.082 -15.936 -14.582 279 1HD PRO 32 2HD PRO 32 3.562 -15.406 -15.766 280 2HD PRO 32 1HD PRO 32 3.852 -15.811 -14.060 281 H GLY 33 H GLY 33 4.767 -10.288 -14.799 282 1HA GLY 33 2HA GLY 33 4.352 -8.823 -16.602 283 2HA GLY 33 1HA GLY 33 5.646 -9.745 -17.371 284 H SER 34 H SER 34 2.308 -10.661 -16.468 285 HA SER 34 HA SER 34 1.924 -11.492 -19.316 286 1HB SER 34 2HB SER 34 1.241 -12.766 -16.734 287 2HB SER 34 1HB SER 34 -0.023 -12.833 -17.959 288 HG SER 34 HG SER 34 1.965 -13.444 -19.340 289 H VAL 35 H VAL 35 -0.347 -11.296 -20.095 290 HA VAL 35 HA VAL 35 -1.645 -8.883 -18.902 291 HB VAL 35 HB VAL 35 -2.257 -9.894 -21.663 292 1HG1 VAL 35 1HG1 VAL 35 -1.854 -7.041 -21.243 293 2HG1 VAL 35 2HG1 VAL 35 -3.023 -7.704 -20.102 294 3HG1 VAL 35 3HG1 VAL 35 -3.281 -7.890 -21.836 295 1HG2 VAL 35 1HG2 VAL 35 -0.276 -7.968 -22.000 296 2HG2 VAL 35 2HG2 VAL 35 -0.077 -9.704 -22.244 297 3HG2 VAL 35 3HG2 VAL 35 0.349 -8.978 -20.694 298 H HIS 36 H HIS 36 -4.007 -8.879 -18.834 299 HA HIS 36 HA HIS 36 -5.462 -11.353 -19.372 300 1HB HIS 36 2HB HIS 36 -4.200 -11.105 -16.860 301 2HB HIS 36 1HB HIS 36 -5.908 -10.776 -16.574 302 HD1 HIS 36 HD1 HIS 36 -7.615 -12.656 -17.487 303 HD2 HIS 36 HD2 HIS 36 -3.609 -13.794 -17.293 304 HE1 HIS 36 HE1 HIS 36 -7.581 -15.184 -17.631 305 H GLU 37 H GLU 37 -7.809 -11.090 -18.569 306 HA GLU 37 HA GLU 37 -8.598 -8.255 -19.016 307 1HB GLU 37 2HB GLU 37 -10.838 -9.182 -19.487 308 2HB GLU 37 1HB GLU 37 -9.614 -9.964 -20.488 309 1HG GLU 37 2HG GLU 37 -10.156 -11.969 -19.630 310 2HG GLU 37 1HG GLU 37 -9.818 -11.383 -18.001 311 H GLY 38 H GLY 38 -10.210 -7.284 -17.603 312 1HA GLY 38 2HA GLY 38 -11.084 -8.623 -15.187 313 2HA GLY 38 1HA GLY 38 -9.745 -7.522 -14.864 314 H ILE 39 H ILE 39 -11.955 -6.796 -13.600 315 HA ILE 39 HA ILE 39 -13.461 -4.903 -15.328 316 HB ILE 39 HB ILE 39 -13.889 -5.518 -12.390 317 1HG1 ILE 39 2HG1 ILE 39 -15.417 -6.712 -14.711 318 2HG1 ILE 39 1HG1 ILE 39 -14.021 -7.521 -14.000 319 1HG2 ILE 39 1HG2 ILE 39 -15.903 -4.554 -14.420 320 2HG2 ILE 39 2HG2 ILE 39 -14.873 -3.421 -13.546 321 3HG2 ILE 39 3HG2 ILE 39 -15.988 -4.462 -12.661 322 1HD1 ILE 39 1HD1 ILE 39 -16.668 -7.656 -13.087 323 2HD1 ILE 39 2HD1 ILE 39 -15.848 -6.598 -11.939 324 3HD1 ILE 39 3HD1 ILE 39 -15.233 -8.224 -12.235 325 H VAL 40 H VAL 40 -13.451 -2.632 -14.864 326 HA VAL 40 HA VAL 40 -11.022 -1.794 -13.363 327 HB VAL 40 HB VAL 40 -12.816 -0.205 -15.224 328 1HG1 VAL 40 1HG1 VAL 40 -10.085 0.725 -14.826 329 2HG1 VAL 40 2HG1 VAL 40 -10.982 0.684 -13.309 330 3HG1 VAL 40 3HG1 VAL 40 -11.599 1.614 -14.674 331 1HG2 VAL 40 1HG2 VAL 40 -10.684 -0.407 -16.680 332 2HG2 VAL 40 2HG2 VAL 40 -11.728 -1.825 -16.568 333 3HG2 VAL 40 3HG2 VAL 40 -10.246 -1.743 -15.614 334 H TYR 41 H TYR 41 -11.113 -0.251 -11.691 335 HA TYR 41 HA TYR 41 -13.811 0.612 -10.776 336 1HB TYR 41 2HB TYR 41 -12.673 -1.539 -9.599 337 2HB TYR 41 1HB TYR 41 -11.908 -0.257 -8.660 338 HD1 TYR 41 HD1 TYR 41 -14.830 -2.260 -9.022 339 HD2 TYR 41 HD2 TYR 41 -13.498 1.631 -7.772 340 HE1 TYR 41 HE1 TYR 41 -16.918 -1.964 -7.715 341 HE2 TYR 41 HE2 TYR 41 -15.586 1.925 -6.465 342 HH TYR 41 HH TYR 41 -17.977 -0.692 -6.208 343 H PHE 42 H PHE 42 -13.740 2.568 -9.519 344 HA PHE 42 HA PHE 42 -11.077 3.939 -9.586 345 1HB PHE 42 2HB PHE 42 -12.570 4.965 -11.205 346 2HB PHE 42 1HB PHE 42 -13.852 5.090 -9.998 347 HD1 PHE 42 HD1 PHE 42 -10.494 6.332 -10.973 348 HD2 PHE 42 HD2 PHE 42 -13.857 6.839 -8.347 349 HE1 PHE 42 HE1 PHE 42 -9.589 8.523 -10.238 350 HE2 PHE 42 HE2 PHE 42 -12.954 9.029 -7.612 351 HZ PHE 42 HZ PHE 42 -10.820 9.871 -8.557 352 H LYS 43 H LYS 43 -10.333 4.488 -7.591 353 HA LYS 43 HA LYS 43 -12.139 5.480 -5.526 354 1HB LYS 43 2HB LYS 43 -11.864 2.721 -5.643 355 2HB LYS 43 1HB LYS 43 -10.687 3.193 -4.417 356 1HG LYS 43 2HG LYS 43 -12.354 4.306 -3.111 357 2HG LYS 43 1HG LYS 43 -13.536 4.209 -4.417 358 1HD LYS 43 2HD LYS 43 -12.801 1.562 -4.037 359 2HD LYS 43 1HD LYS 43 -12.834 2.210 -2.397 360 1HE LYS 43 2HE LYS 43 -15.098 2.784 -2.528 361 2HE LYS 43 1HE LYS 43 -15.088 2.820 -4.292 362 1HZ LYS 43 1HZ LYS 43 -14.729 0.360 -2.669 363 2HZ LYS 43 2HZ LYS 43 -14.901 0.455 -4.357 364 3HZ LYS 43 3HZ LYS 43 -16.206 0.850 -3.345 365 H ASP 44 H ASP 44 -11.001 6.589 -3.913 366 HA ASP 44 HA ASP 44 -9.178 7.709 -2.957 367 1HB ASP 44 2HB ASP 44 -7.552 5.322 -3.869 368 2HB ASP 44 1HB ASP 44 -7.204 6.411 -2.523 369 H GLY 45 H GLY 45 -9.688 7.564 -6.075 370 1HA GLY 45 2HA GLY 45 -8.815 9.067 -7.715 371 2HA GLY 45 1HA GLY 45 -7.385 9.296 -6.707 372 H ILE 46 H ILE 46 -7.252 6.251 -6.426 373 HA ILE 46 HA ILE 46 -5.652 5.837 -8.879 374 HB ILE 46 HB ILE 46 -4.882 3.777 -7.710 375 1HG1 ILE 46 2HG1 ILE 46 -6.152 4.595 -5.166 376 2HG1 ILE 46 1HG1 ILE 46 -7.261 3.935 -6.367 377 1HG2 ILE 46 1HG2 ILE 46 -3.430 5.487 -7.175 378 2HG2 ILE 46 2HG2 ILE 46 -4.071 5.163 -5.564 379 3HG2 ILE 46 3HG2 ILE 46 -4.708 6.506 -6.513 380 1HD1 ILE 46 1HD1 ILE 46 -4.731 2.440 -6.085 381 2HD1 ILE 46 2HD1 ILE 46 -6.385 1.841 -6.210 382 3HD1 ILE 46 3HD1 ILE 46 -5.766 2.407 -4.658 383 H PHE 47 H PHE 47 -5.822 3.313 -9.574 384 HA PHE 47 HA PHE 47 -8.730 2.881 -10.115 385 1HB PHE 47 2HB PHE 47 -6.247 2.482 -11.714 386 2HB PHE 47 1HB PHE 47 -7.551 1.318 -11.948 387 HD1 PHE 47 HD1 PHE 47 -9.968 2.377 -12.199 388 HD2 PHE 47 HD2 PHE 47 -6.290 4.474 -12.934 389 HE1 PHE 47 HE1 PHE 47 -11.187 4.020 -13.603 390 HE2 PHE 47 HE2 PHE 47 -7.509 6.118 -14.339 391 HZ PHE 47 HZ PHE 47 -9.957 5.890 -14.672 392 H LYS 48 H LYS 48 -9.292 0.495 -10.409 393 HA LYS 48 HA LYS 48 -7.611 -1.307 -8.755 394 1HB LYS 48 2HB LYS 48 -10.055 -0.093 -7.857 395 2HB LYS 48 1HB LYS 48 -10.315 -1.827 -8.046 396 1HG LYS 48 2HG LYS 48 -8.833 -2.370 -6.387 397 2HG LYS 48 1HG LYS 48 -7.765 -1.014 -6.754 398 1HD LYS 48 2HD LYS 48 -8.887 -0.720 -4.563 399 2HD LYS 48 1HD LYS 48 -9.351 0.542 -5.704 400 1HE LYS 48 2HE LYS 48 -11.512 -0.041 -5.489 401 2HE LYS 48 1HE LYS 48 -11.135 -1.673 -6.039 402 1HZ LYS 48 1HZ LYS 48 -11.327 -0.629 -3.303 403 2HZ LYS 48 2HZ LYS 48 -10.265 -1.918 -3.611 404 3HZ LYS 48 3HZ LYS 48 -11.922 -2.080 -3.947 405 H VAL 49 H VAL 49 -7.543 -3.325 -9.649 406 HA VAL 49 HA VAL 49 -9.471 -3.886 -11.858 407 HB VAL 49 HB VAL 49 -6.829 -5.267 -11.318 408 1HG1 VAL 49 1HG1 VAL 49 -7.801 -5.087 -14.060 409 2HG1 VAL 49 2HG1 VAL 49 -8.970 -5.883 -13.007 410 3HG1 VAL 49 3HG1 VAL 49 -7.327 -6.511 -13.135 411 1HG2 VAL 49 1HG2 VAL 49 -6.506 -3.659 -13.552 412 2HG2 VAL 49 2HG2 VAL 49 -5.881 -3.303 -11.940 413 3HG2 VAL 49 3HG2 VAL 49 -7.427 -2.629 -12.456 414 H ARG 50 H ARG 50 -11.080 -5.250 -11.273 415 HA ARG 50 HA ARG 50 -10.604 -7.145 -9.026 416 1HB ARG 50 2HB ARG 50 -13.061 -6.014 -10.349 417 2HB ARG 50 1HB ARG 50 -13.171 -7.497 -9.401 418 1HG ARG 50 2HG ARG 50 -13.370 -6.164 -7.587 419 2HG ARG 50 1HG ARG 50 -11.655 -5.806 -7.794 420 1HD ARG 50 2HD ARG 50 -12.078 -3.796 -8.923 421 2HD ARG 50 1HD ARG 50 -13.713 -4.281 -9.371 422 HE ARG 50 HE ARG 50 -13.184 -2.742 -7.126 423 1HH1 ARG 50 1HH2 ARG 50 -15.428 -4.956 -8.186 424 2HH1 ARG 50 2HH2 ARG 50 -16.043 -5.369 -6.621 425 1HH2 ARG 50 2HH1 ARG 50 -13.564 -3.661 -4.901 426 2HH2 ARG 50 1HH1 ARG 50 -14.990 -4.633 -4.761 427 H LEU 51 H LEU 51 -10.281 -9.290 -9.458 428 HA LEU 51 HA LEU 51 -10.644 -10.189 -12.266 429 1HB LEU 51 2HB LEU 51 -8.840 -10.867 -10.076 430 2HB LEU 51 1HB LEU 51 -9.559 -12.304 -10.803 431 HG LEU 51 HG LEU 51 -7.528 -11.769 -12.021 432 1HD1 LEU 51 1HD1 LEU 51 -10.127 -11.849 -13.183 433 2HD1 LEU 51 2HD1 LEU 51 -8.600 -12.344 -13.914 434 3HD1 LEU 51 3HD1 LEU 51 -9.174 -10.687 -14.106 435 1HD2 LEU 51 1HD2 LEU 51 -7.072 -9.623 -12.947 436 2HD2 LEU 51 2HD2 LEU 51 -7.639 -9.303 -11.307 437 3HD2 LEU 51 3HD2 LEU 51 -8.725 -9.071 -12.677 438 H LEU 52 H LEU 52 -13.076 -10.076 -11.749 439 HA LEU 52 HA LEU 52 -14.323 -11.866 -9.934 440 1HB LEU 52 2HB LEU 52 -15.144 -10.097 -12.000 441 2HB LEU 52 1HB LEU 52 -15.880 -11.664 -12.343 442 HG LEU 52 HG LEU 52 -17.362 -10.396 -10.882 443 1HD1 LEU 52 1HD1 LEU 52 -16.424 -12.959 -10.390 444 2HD1 LEU 52 2HD1 LEU 52 -17.853 -12.234 -9.656 445 3HD1 LEU 52 3HD1 LEU 52 -16.304 -12.181 -8.812 446 1HD2 LEU 52 1HD2 LEU 52 -15.298 -10.396 -8.703 447 2HD2 LEU 52 2HD2 LEU 52 -16.681 -9.326 -8.929 448 3HD2 LEU 52 3HD2 LEU 52 -15.241 -9.127 -9.928 449 H GLY 53 H GLY 53 -14.842 -14.041 -10.077 450 1HA GLY 53 2HA GLY 53 -15.294 -16.010 -11.556 451 2HA GLY 53 1HA GLY 53 -13.945 -15.464 -12.553 452 H TYR 54 H TYR 54 -12.617 -14.709 -9.845 453 HA TYR 54 HA TYR 54 -11.572 -17.457 -9.310 454 1HB TYR 54 2HB TYR 54 -10.259 -14.977 -9.868 455 2HB TYR 54 1HB TYR 54 -9.864 -15.448 -8.214 456 HD1 TYR 54 HD1 TYR 54 -8.583 -17.446 -7.740 457 HD2 TYR 54 HD2 TYR 54 -9.721 -16.469 -11.767 458 HE1 TYR 54 HE1 TYR 54 -7.012 -19.163 -8.601 459 HE2 TYR 54 HE2 TYR 54 -8.150 -18.186 -12.628 460 HH TYR 54 HH TYR 54 -6.485 -19.588 -12.088 461 H GLU 55 H GLU 55 -12.889 -14.541 -7.871 462 HA GLU 55 HA GLU 55 -13.777 -14.180 -5.730 463 1HB GLU 55 2HB GLU 55 -13.353 -17.143 -5.272 464 2HB GLU 55 1HB GLU 55 -14.506 -16.082 -4.461 465 1HG GLU 55 2HG GLU 55 -14.931 -15.871 -7.284 466 2HG GLU 55 1HG GLU 55 -14.886 -17.582 -6.861 467 H GLY 56 H GLY 56 -11.939 -12.964 -5.055 468 1HA GLY 56 2HA GLY 56 -10.628 -12.938 -2.895 469 2HA GLY 56 1HA GLY 56 -9.997 -14.511 -3.383 470 H HIS 57 H HIS 57 -10.124 -13.114 -6.247 471 HA HIS 57 HA HIS 57 -7.311 -12.206 -6.082 472 1HB HIS 57 2HB HIS 57 -8.640 -13.720 -7.946 473 2HB HIS 57 1HB HIS 57 -8.658 -12.126 -8.703 474 HD1 HIS 57 HD1 HIS 57 -6.922 -13.735 -10.294 475 HD2 HIS 57 HD2 HIS 57 -5.500 -12.209 -6.684 476 HE1 HIS 57 HE1 HIS 57 -4.394 -13.791 -10.440 477 H GLU 58 H GLU 58 -7.659 -10.162 -5.047 478 HA GLU 58 HA GLU 58 -9.163 -8.161 -6.678 479 1HB GLU 58 2HB GLU 58 -9.438 -8.669 -4.030 480 2HB GLU 58 1HB GLU 58 -8.173 -7.441 -3.970 481 1HG GLU 58 2HG GLU 58 -9.585 -5.963 -5.395 482 2HG GLU 58 1HG GLU 58 -10.867 -7.174 -5.338 483 H CYS 59 H CYS 59 -7.734 -7.223 -8.082 484 HA CYS 59 HA CYS 59 -4.998 -6.592 -7.079 485 1HB CYS 59 2HB CYS 59 -5.831 -6.268 -9.946 486 2HB CYS 59 1HB CYS 59 -4.244 -6.658 -9.287 487 HG CYS 59 HG CYS 59 -4.971 -9.091 -8.945 488 H ILE 60 H ILE 60 -4.119 -4.448 -7.849 489 HA ILE 60 HA ILE 60 -6.275 -2.388 -8.041 490 HB ILE 60 HB ILE 60 -4.493 -0.969 -6.701 491 1HG1 ILE 60 2HG1 ILE 60 -3.949 -3.687 -5.515 492 2HG1 ILE 60 1HG1 ILE 60 -2.933 -3.056 -6.812 493 1HG2 ILE 60 1HG2 ILE 60 -6.378 -1.077 -5.446 494 2HG2 ILE 60 2HG2 ILE 60 -5.558 -2.380 -4.583 495 3HG2 ILE 60 3HG2 ILE 60 -6.680 -2.757 -5.892 496 1HD1 ILE 60 1HD1 ILE 60 -1.771 -1.993 -5.189 497 2HD1 ILE 60 2HD1 ILE 60 -3.029 -2.290 -3.990 498 3HD1 ILE 60 3HD1 ILE 60 -3.154 -0.904 -5.073 499 H LEU 61 H LEU 61 -5.904 -0.885 -9.652 500 HA LEU 61 HA LEU 61 -3.361 -1.193 -11.160 501 1HB LEU 61 2HB LEU 61 -5.457 -1.343 -12.451 502 2HB LEU 61 1HB LEU 61 -5.914 0.270 -11.898 503 HG LEU 61 HG LEU 61 -3.271 0.468 -12.918 504 1HD1 LEU 61 1HD1 LEU 61 -4.164 -1.746 -14.066 505 2HD1 LEU 61 2HD1 LEU 61 -3.286 -0.542 -15.011 506 3HD1 LEU 61 3HD1 LEU 61 -5.046 -0.606 -15.084 507 1HD2 LEU 61 1HD2 LEU 61 -4.585 2.367 -13.145 508 2HD2 LEU 61 2HD2 LEU 61 -6.015 1.448 -13.616 509 3HD2 LEU 61 3HD2 LEU 61 -4.715 1.713 -14.778 510 H LEU 62 H LEU 62 -1.780 0.247 -10.773 511 HA LEU 62 HA LEU 62 -2.439 3.090 -10.409 512 1HB LEU 62 2HB LEU 62 -1.191 3.270 -8.266 513 2HB LEU 62 1HB LEU 62 -2.637 2.274 -8.110 514 HG LEU 62 HG LEU 62 -0.825 0.378 -8.815 515 1HD1 LEU 62 1HD1 LEU 62 0.640 2.667 -7.552 516 2HD1 LEU 62 2HD1 LEU 62 1.176 1.559 -8.815 517 3HD1 LEU 62 3HD1 LEU 62 1.122 1.022 -7.136 518 1HD2 LEU 62 1HD2 LEU 62 -0.850 -0.273 -6.487 519 2HD2 LEU 62 2HD2 LEU 62 -2.412 0.464 -6.846 520 3HD2 LEU 62 3HD2 LEU 62 -1.182 1.382 -5.976 521 H ASP 63 H ASP 63 0.010 0.537 -10.568 522 HA ASP 63 HA ASP 63 2.344 2.059 -10.819 523 1HB ASP 63 2HB ASP 63 1.577 -0.609 -11.367 524 2HB ASP 63 1HB ASP 63 2.334 -0.002 -12.840 525 H TYR 64 H TYR 64 -0.134 1.377 -13.280 526 HA TYR 64 HA TYR 64 0.978 3.659 -14.849 527 1HB TYR 64 2HB TYR 64 1.080 0.913 -15.620 528 2HB TYR 64 1HB TYR 64 -0.090 1.722 -16.663 529 HD1 TYR 64 HD1 TYR 64 3.427 1.700 -15.511 530 HD2 TYR 64 HD2 TYR 64 0.581 3.453 -18.211 531 HE1 TYR 64 HE1 TYR 64 5.280 2.752 -16.781 532 HE2 TYR 64 HE2 TYR 64 2.433 4.506 -19.481 533 HH TYR 64 HH TYR 64 5.627 4.655 -18.288 534 H LEU 65 H LEU 65 -0.973 4.534 -13.553 535 HA LEU 65 HA LEU 65 -3.638 3.739 -14.139 536 1HB LEU 65 2HB LEU 65 -2.612 6.530 -13.530 537 2HB LEU 65 1HB LEU 65 -4.284 5.988 -13.379 538 HG LEU 65 HG LEU 65 -2.698 4.120 -11.955 539 1HD1 LEU 65 1HD1 LEU 65 -1.875 5.950 -10.227 540 2HD1 LEU 65 2HD1 LEU 65 -1.818 6.970 -11.665 541 3HD1 LEU 65 3HD1 LEU 65 -0.858 5.493 -11.594 542 1HD2 LEU 65 1HD2 LEU 65 -4.454 4.408 -10.569 543 2HD2 LEU 65 2HD2 LEU 65 -5.024 5.686 -11.641 544 3HD2 LEU 65 3HD2 LEU 65 -3.994 6.083 -10.265 545 H ASN 66 H ASN 66 -1.573 6.189 -15.720 546 HA ASN 66 HA ASN 66 -1.675 7.052 -17.902 547 1HB ASN 66 2HB ASN 66 -2.244 4.449 -18.241 548 2HB ASN 66 1HB ASN 66 -3.801 5.127 -18.716 549 1HD2 ASN 66 1HD2 ASN 66 -1.829 3.845 -20.524 550 2HD2 ASN 66 2HD2 ASN 66 -1.385 5.026 -21.659 551 H TYR 67 H TYR 67 -2.789 8.831 -18.579 552 HA TYR 67 HA TYR 67 -5.707 8.971 -17.948 553 1HB TYR 67 2HB TYR 67 -3.508 10.742 -17.086 554 2HB TYR 67 1HB TYR 67 -4.897 11.585 -17.771 555 HD1 TYR 67 HD1 TYR 67 -7.236 10.965 -16.883 556 HD2 TYR 67 HD2 TYR 67 -3.583 9.903 -14.883 557 HE1 TYR 67 HE1 TYR 67 -8.492 10.617 -14.772 558 HE2 TYR 67 HE2 TYR 67 -4.840 9.554 -12.773 559 HH TYR 67 HH TYR 67 -7.933 10.675 -12.270 560 H ARG 68 H ARG 68 -6.952 9.781 -19.615 561 HA ARG 68 HA ARG 68 -5.470 10.654 -22.057 562 1HB ARG 68 2HB ARG 68 -7.473 8.706 -21.704 563 2HB ARG 68 1HB ARG 68 -8.267 10.059 -22.510 564 1HG ARG 68 2HG ARG 68 -6.316 10.092 -24.136 565 2HG ARG 68 1HG ARG 68 -5.801 8.563 -23.424 566 1HD ARG 68 2HD ARG 68 -7.396 7.402 -24.525 567 2HD ARG 68 1HD ARG 68 -8.645 8.572 -24.098 568 HE ARG 68 HE ARG 68 -6.789 8.924 -26.420 569 1HH1 ARG 68 2HH1 ARG 68 -8.782 10.951 -24.927 570 2HH1 ARG 68 1HH1 ARG 68 -9.993 11.063 -26.160 571 1HH2 ARG 68 1HH2 ARG 68 -8.783 8.358 -27.962 572 2HH2 ARG 68 2HH2 ARG 68 -9.994 9.593 -27.880 573 H GLN 69 H GLN 69 -6.194 12.393 -19.779 574 HA GLN 69 HA GLN 69 -7.039 14.559 -19.486 575 1HB GLN 69 2HB GLN 69 -7.005 14.215 -22.455 576 2HB GLN 69 1HB GLN 69 -7.906 15.579 -21.794 577 1HG GLN 69 2HG GLN 69 -5.482 16.077 -22.328 578 2HG GLN 69 1HG GLN 69 -5.954 16.420 -20.664 579 1HE2 GLN 69 1HE2 GLN 69 -4.813 15.337 -19.016 580 2HE2 GLN 69 2HE2 GLN 69 -3.694 14.092 -19.294 581 H ASP 70 H ASP 70 -9.232 14.091 -22.176 582 HA ASP 70 HA ASP 70 -11.555 13.727 -22.226 583 1HB ASP 70 2HB ASP 70 -10.810 11.825 -20.584 584 2HB ASP 70 1HB ASP 70 -11.481 12.881 -19.340 585 H THR 71 H THR 71 -13.212 15.187 -21.911 586 HA THR 71 HA THR 71 -12.680 17.618 -20.482 587 HB THR 71 HB THR 71 -14.181 17.721 -22.348 588 HG1 THR 71 HG1 THR 71 -15.816 17.856 -20.041 589 1HG2 THR 71 1HG2 THR 71 -16.505 16.425 -21.781 590 2HG2 THR 71 2HG2 THR 71 -15.338 15.335 -21.034 591 3HG2 THR 71 3HG2 THR 71 -15.207 15.726 -22.749 592 H LEU 72 H LEU 72 -12.209 16.962 -18.302 593 HA LEU 72 HA LEU 72 -12.817 16.676 -16.052 594 1HB LEU 72 2HB LEU 72 -15.100 17.805 -17.315 595 2HB LEU 72 1HB LEU 72 -15.677 16.506 -16.269 596 HG LEU 72 HG LEU 72 -13.866 17.642 -14.616 597 1HD1 LEU 72 1HD1 LEU 72 -13.299 19.400 -16.257 598 2HD1 LEU 72 2HD1 LEU 72 -14.047 20.093 -14.818 599 3HD1 LEU 72 3HD1 LEU 72 -14.988 19.904 -16.298 600 1HD2 LEU 72 1HD2 LEU 72 -16.538 18.986 -14.818 601 2HD2 LEU 72 2HD2 LEU 72 -15.713 18.348 -13.396 602 3HD2 LEU 72 3HD2 LEU 72 -16.493 17.247 -14.532 603 H ASP 73 H ASP 73 -13.115 14.481 -18.384 604 HA ASP 73 HA ASP 73 -13.428 12.153 -18.377 605 1HB ASP 73 2HB ASP 73 -12.599 12.881 -15.725 606 2HB ASP 73 1HB ASP 73 -13.815 11.607 -15.610 607 H ARG 74 H ARG 74 -15.728 13.875 -18.630 608 HA ARG 74 HA ARG 74 -17.887 13.042 -16.939 609 1HB ARG 74 2HB ARG 74 -17.829 15.033 -18.557 610 2HB ARG 74 1HB ARG 74 -18.183 13.867 -19.833 611 1HG ARG 74 2HG ARG 74 -20.309 14.673 -19.143 612 2HG ARG 74 1HG ARG 74 -20.146 13.101 -18.362 613 1HD ARG 74 2HD ARG 74 -20.625 14.198 -16.438 614 2HD ARG 74 1HD ARG 74 -18.971 14.803 -16.530 615 HE ARG 74 HE ARG 74 -21.234 16.451 -16.709 616 1HH1 ARG 74 1HH2 ARG 74 -18.083 16.879 -17.079 617 2HH1 ARG 74 2HH2 ARG 74 -18.129 17.908 -18.471 618 1HH2 ARG 74 2HH1 ARG 74 -21.467 17.274 -19.160 619 2HH2 ARG 74 1HH1 ARG 74 -20.044 18.132 -19.650 620 H LEU 75 H LEU 75 -16.964 11.956 -20.229 621 HA LEU 75 HA LEU 75 -18.884 9.768 -20.166 622 1HB LEU 75 2HB LEU 75 -16.586 10.454 -22.014 623 2HB LEU 75 1HB LEU 75 -17.601 9.029 -22.239 624 HG LEU 75 HG LEU 75 -19.406 11.135 -21.830 625 1HD1 LEU 75 1HD1 LEU 75 -18.481 12.493 -23.954 626 2HD1 LEU 75 2HD1 LEU 75 -16.936 12.000 -23.260 627 3HD1 LEU 75 3HD1 LEU 75 -18.070 12.951 -22.301 628 1HD2 LEU 75 1HD2 LEU 75 -19.096 9.053 -23.539 629 2HD2 LEU 75 2HD2 LEU 75 -18.709 10.391 -24.620 630 3HD2 LEU 75 3HD2 LEU 75 -20.269 10.343 -23.800 631 H LYS 76 H LYS 76 -15.440 10.143 -19.483 632 HA LYS 76 HA LYS 76 -14.792 7.357 -19.353 633 1HB LYS 76 2HB LYS 76 -13.567 9.900 -18.461 634 2HB LYS 76 1HB LYS 76 -13.094 8.475 -17.533 635 1HG LYS 76 2HG LYS 76 -13.141 8.055 -20.451 636 2HG LYS 76 1HG LYS 76 -11.941 9.229 -19.907 637 1HD LYS 76 2HD LYS 76 -10.736 7.661 -18.731 638 2HD LYS 76 1HD LYS 76 -12.163 6.698 -18.349 639 1HE LYS 76 2HE LYS 76 -11.879 5.390 -20.167 640 2HE LYS 76 1HE LYS 76 -11.644 6.785 -21.219 641 1HZ LYS 76 1HZ LYS 76 -9.467 6.461 -21.189 642 2HZ LYS 76 2HZ LYS 76 -9.719 5.013 -20.339 643 3HZ LYS 76 3HZ LYS 76 -9.424 6.457 -19.494 644 H GLU 77 H GLU 77 -16.371 9.529 -17.102 645 HA GLU 77 HA GLU 77 -16.039 8.026 -14.708 646 1HB GLU 77 2HB GLU 77 -18.087 9.975 -15.711 647 2HB GLU 77 1HB GLU 77 -18.428 9.068 -14.237 648 1HG GLU 77 2HG GLU 77 -15.828 10.555 -14.639 649 2HG GLU 77 1HG GLU 77 -17.249 11.325 -13.933 650 H ARG 78 H ARG 78 -18.564 7.846 -17.225 651 HA ARG 78 HA ARG 78 -19.893 5.594 -15.940 652 1HB ARG 78 2HB ARG 78 -20.851 7.368 -17.627 653 2HB ARG 78 1HB ARG 78 -20.214 6.269 -18.851 654 1HG ARG 78 2HG ARG 78 -22.092 5.049 -18.612 655 2HG ARG 78 1HG ARG 78 -21.523 4.613 -17.000 656 1HD ARG 78 2HD ARG 78 -23.237 5.757 -16.105 657 2HD ARG 78 1HD ARG 78 -22.597 7.238 -16.818 658 HE ARG 78 HE ARG 78 -23.947 6.583 -18.892 659 1HH1 ARG 78 2HH1 ARG 78 -24.672 4.065 -17.033 660 2HH1 ARG 78 1HH1 ARG 78 -26.351 4.412 -16.791 661 1HH2 ARG 78 1HH2 ARG 78 -26.136 7.646 -18.021 662 2HH2 ARG 78 2HH2 ARG 78 -27.181 6.439 -17.349 663 H LEU 79 H LEU 79 -17.326 6.011 -18.273 664 HA LEU 79 HA LEU 79 -17.397 3.405 -19.458 665 1HB LEU 79 2HB LEU 79 -15.717 5.708 -19.560 666 2HB LEU 79 1HB LEU 79 -14.691 4.316 -19.212 667 HG LEU 79 HG LEU 79 -16.787 4.183 -21.372 668 1HD1 LEU 79 1HD1 LEU 79 -14.498 4.599 -22.766 669 2HD1 LEU 79 2HD1 LEU 79 -14.202 5.642 -21.374 670 3HD1 LEU 79 3HD1 LEU 79 -15.634 5.888 -22.372 671 1HD2 LEU 79 1HD2 LEU 79 -14.424 2.768 -21.994 672 2HD2 LEU 79 2HD2 LEU 79 -15.964 2.086 -21.468 673 3HD2 LEU 79 3HD2 LEU 79 -14.720 2.474 -20.280 674 H VAL 80 H VAL 80 -15.802 4.668 -16.552 675 HA VAL 80 HA VAL 80 -14.133 2.628 -15.774 676 HB VAL 80 HB VAL 80 -16.185 3.821 -13.896 677 1HG1 VAL 80 1HG1 VAL 80 -13.527 2.470 -13.638 678 2HG1 VAL 80 2HG1 VAL 80 -14.961 2.323 -12.622 679 3HG1 VAL 80 3HG1 VAL 80 -13.928 3.745 -12.489 680 1HG2 VAL 80 1HG2 VAL 80 -13.950 5.397 -13.690 681 2HG2 VAL 80 2HG2 VAL 80 -15.377 5.814 -14.640 682 3HG2 VAL 80 3HG2 VAL 80 -13.986 5.063 -15.422 683 H GLY 81 H GLY 81 -14.512 0.749 -14.288 684 1HA GLY 81 2HA GLY 81 -15.810 -1.096 -13.510 685 2HA GLY 81 1HA GLY 81 -17.222 -0.399 -14.301 686 H ARG 82 H ARG 82 -16.363 -0.098 -16.891 687 HA ARG 82 HA ARG 82 -16.887 -2.430 -18.203 688 1HB ARG 82 2HB ARG 82 -14.831 -0.348 -18.984 689 2HB ARG 82 1HB ARG 82 -15.430 -1.597 -20.076 690 1HG ARG 82 2HG ARG 82 -17.350 0.203 -18.611 691 2HG ARG 82 1HG ARG 82 -16.592 0.732 -20.114 692 1HD ARG 82 2HD ARG 82 -17.510 -1.143 -21.322 693 2HD ARG 82 1HD ARG 82 -18.085 -1.888 -19.831 694 HE ARG 82 HE ARG 82 -19.178 0.785 -20.417 695 1HH1 ARG 82 1HH2 ARG 82 -19.927 -2.154 -19.143 696 2HH1 ARG 82 2HH2 ARG 82 -21.443 -2.354 -19.954 697 1HH2 ARG 82 2HH1 ARG 82 -20.955 0.332 -22.092 698 2HH2 ARG 82 1HH1 ARG 82 -22.027 -0.946 -21.623 699 H VAL 83 H VAL 83 -15.432 -3.962 -19.396 700 HA VAL 83 HA VAL 83 -13.277 -4.888 -17.572 701 HB VAL 83 HB VAL 83 -13.378 -6.946 -19.095 702 1HG1 VAL 83 1HG1 VAL 83 -15.670 -7.616 -18.128 703 2HG1 VAL 83 2HG1 VAL 83 -15.715 -5.997 -17.431 704 3HG1 VAL 83 3HG1 VAL 83 -14.433 -7.118 -16.974 705 1HG2 VAL 83 1HG2 VAL 83 -15.095 -7.148 -20.678 706 2HG2 VAL 83 2HG2 VAL 83 -14.608 -5.465 -20.882 707 3HG2 VAL 83 3HG2 VAL 83 -16.052 -5.858 -19.948 708 H ILE 84 H ILE 84 -11.168 -4.697 -18.151 709 HA ILE 84 HA ILE 84 -10.529 -4.134 -21.011 710 HB ILE 84 HB ILE 84 -8.808 -2.475 -20.080 711 1HG1 ILE 84 2HG1 ILE 84 -9.629 -1.502 -17.839 712 2HG1 ILE 84 1HG1 ILE 84 -10.524 -3.011 -17.648 713 1HG2 ILE 84 1HG2 ILE 84 -10.389 -1.134 -20.986 714 2HG2 ILE 84 2HG2 ILE 84 -11.062 -0.987 -19.363 715 3HG2 ILE 84 3HG2 ILE 84 -11.688 -2.209 -20.469 716 1HD1 ILE 84 1HD1 ILE 84 -7.883 -2.605 -16.912 717 2HD1 ILE 84 2HD1 ILE 84 -7.743 -3.438 -18.460 718 3HD1 ILE 84 3HD1 ILE 84 -8.654 -4.175 -17.142 719 H LYS 85 H LYS 85 -8.000 -4.232 -21.244 720 HA LYS 85 HA LYS 85 -7.093 -6.655 -19.754 721 1HB LYS 85 2HB LYS 85 -5.320 -6.527 -21.757 722 2HB LYS 85 1HB LYS 85 -6.892 -7.297 -21.961 723 1HG LYS 85 2HG LYS 85 -7.817 -5.312 -22.974 724 2HG LYS 85 1HG LYS 85 -6.372 -4.378 -22.581 725 1HD LYS 85 2HD LYS 85 -5.652 -4.927 -24.656 726 2HD LYS 85 1HD LYS 85 -5.342 -6.527 -23.984 727 1HE LYS 85 2HE LYS 85 -7.999 -5.694 -25.178 728 2HE LYS 85 1HE LYS 85 -6.747 -6.551 -26.076 729 1HZ LYS 85 1HZ LYS 85 -8.490 -7.990 -25.051 730 2HZ LYS 85 2HZ LYS 85 -7.887 -7.544 -23.526 731 3HZ LYS 85 3HZ LYS 85 -6.901 -8.390 -24.621 732 H THR 86 H THR 86 -5.069 -6.620 -18.724 733 HA THR 86 HA THR 86 -3.388 -4.204 -18.941 734 HB THR 86 HB THR 86 -4.106 -4.948 -16.151 735 HG1 THR 86 HG1 THR 86 -6.131 -4.586 -16.481 736 1HG2 THR 86 1HG2 THR 86 -4.143 -2.302 -16.194 737 2HG2 THR 86 2HG2 THR 86 -3.286 -2.533 -17.718 738 3HG2 THR 86 3HG2 THR 86 -2.611 -3.177 -16.221 739 H ARG 87 H ARG 87 -1.433 -4.507 -17.346 740 HA ARG 87 HA ARG 87 -0.572 -7.343 -17.617 741 1HB ARG 87 2HB ARG 87 0.876 -4.716 -17.391 742 2HB ARG 87 1HB ARG 87 1.706 -6.216 -16.973 743 1HG ARG 87 2HG ARG 87 2.054 -5.599 -19.355 744 2HG ARG 87 1HG ARG 87 1.206 -7.138 -19.189 745 1HD ARG 87 2HD ARG 87 -0.841 -6.237 -19.859 746 2HD ARG 87 1HD ARG 87 -0.377 -4.595 -19.411 747 HE ARG 87 HE ARG 87 1.355 -5.391 -21.495 748 1HH1 ARG 87 2HH1 ARG 87 -1.745 -4.142 -20.813 749 2HH1 ARG 87 1HH1 ARG 87 -2.212 -3.986 -22.474 750 1HH2 ARG 87 1HH2 ARG 87 0.653 -5.507 -23.698 751 2HH2 ARG 87 2HH2 ARG 87 -0.853 -4.759 -24.107 752 H VAL 88 H VAL 88 0.527 -8.363 -15.795 753 HA VAL 88 HA VAL 88 -0.594 -7.442 -13.203 754 HB VAL 88 HB VAL 88 0.888 -10.025 -13.741 755 1HG1 VAL 88 1HG1 VAL 88 0.127 -10.686 -11.678 756 2HG1 VAL 88 2HG1 VAL 88 -1.365 -9.756 -11.813 757 3HG1 VAL 88 3HG1 VAL 88 0.143 -8.947 -11.388 758 1HG2 VAL 88 1HG2 VAL 88 -1.250 -9.427 -15.210 759 2HG2 VAL 88 2HG2 VAL 88 -2.104 -9.881 -13.735 760 3HG2 VAL 88 3HG2 VAL 88 -1.041 -11.041 -14.532 761 H VAL 89 H VAL 89 0.716 -6.264 -11.913 762 HA VAL 89 HA VAL 89 3.557 -6.057 -12.482 763 HB VAL 89 HB VAL 89 1.928 -4.955 -10.179 764 1HG1 VAL 89 1HG1 VAL 89 3.944 -4.430 -9.306 765 2HG1 VAL 89 2HG1 VAL 89 4.164 -3.345 -10.678 766 3HG1 VAL 89 3HG1 VAL 89 4.782 -4.996 -10.751 767 1HG2 VAL 89 1HG2 VAL 89 2.897 -3.656 -12.743 768 2HG2 VAL 89 2HG2 VAL 89 1.950 -2.876 -11.476 769 3HG2 VAL 89 3HG2 VAL 89 1.239 -4.171 -12.439 770 H ARG 90 H ARG 90 1.568 -7.771 -10.138 771 HA ARG 90 HA ARG 90 3.449 -9.747 -9.533 772 1HB ARG 90 2HB ARG 90 4.958 -8.133 -8.613 773 2HB ARG 90 1HB ARG 90 3.663 -7.327 -7.729 774 1HG ARG 90 2HG ARG 90 3.499 -9.044 -6.143 775 2HG ARG 90 1HG ARG 90 4.262 -10.228 -7.205 776 1HD ARG 90 2HD ARG 90 5.997 -7.938 -6.645 777 2HD ARG 90 1HD ARG 90 5.538 -8.816 -5.185 778 HE ARG 90 HE ARG 90 6.712 -10.241 -7.537 779 1HH1 ARG 90 2HH1 ARG 90 7.555 -8.846 -4.613 780 2HH1 ARG 90 1HH1 ARG 90 8.295 -10.263 -3.944 781 1HH2 ARG 90 1HH2 ARG 90 7.231 -12.349 -6.501 782 2HH2 ARG 90 2HH2 ARG 90 8.108 -12.247 -5.012 783 H ALA 91 H ALA 91 1.813 -11.164 -9.123 784 HA ALA 91 HA ALA 91 -0.448 -10.374 -7.399 785 1HB ALA 91 1HB ALA 91 -0.786 -13.050 -7.911 786 2HB ALA 91 2HB ALA 91 0.131 -12.533 -9.325 787 3HB ALA 91 3HB ALA 91 -1.404 -11.755 -8.936 788 H ASP 92 H ASP 92 -0.633 -10.975 -5.267 789 HA ASP 92 HA ASP 92 0.765 -13.266 -4.165 790 1HB ASP 92 2HB ASP 92 2.284 -10.927 -4.364 791 2HB ASP 92 1HB ASP 92 1.731 -10.948 -2.690 792 H GLY 93 H GLY 93 -1.399 -13.691 -3.428 793 1HA GLY 93 2HA GLY 93 -2.697 -13.772 -1.391 794 2HA GLY 93 1HA GLY 93 -2.085 -12.172 -0.970 795 H LEU 94 H LEU 94 -4.643 -12.168 -0.637 796 HA LEU 94 HA LEU 94 -6.380 -11.945 -2.871 797 1HB LEU 94 2HB LEU 94 -6.438 -10.776 -0.090 798 2HB LEU 94 1HB LEU 94 -7.708 -10.410 -1.259 799 HG LEU 94 HG LEU 94 -7.528 -13.122 -1.523 800 1HD1 LEU 94 1HD1 LEU 94 -6.465 -14.031 0.240 801 2HD1 LEU 94 2HD1 LEU 94 -7.691 -13.332 1.297 802 3HD1 LEU 94 3HD1 LEU 94 -6.212 -12.435 0.948 803 1HD2 LEU 94 1HD2 LEU 94 -9.324 -11.183 -0.414 804 2HD2 LEU 94 2HD2 LEU 94 -9.329 -12.605 0.630 805 3HD2 LEU 94 3HD2 LEU 94 -9.709 -12.767 -1.084 806 H TYR 95 H TYR 95 -3.866 -9.861 -1.814 807 HA TYR 95 HA TYR 95 -4.994 -7.619 -3.432 808 1HB TYR 95 2HB TYR 95 -3.416 -7.751 -0.970 809 2HB TYR 95 1HB TYR 95 -2.719 -6.656 -2.164 810 HD1 TYR 95 HD1 TYR 95 -3.767 -4.581 -2.714 811 HD2 TYR 95 HD2 TYR 95 -5.813 -7.458 -0.263 812 HE1 TYR 95 HE1 TYR 95 -5.505 -2.892 -2.183 813 HE2 TYR 95 HE2 TYR 95 -7.551 -5.769 0.268 814 HH TYR 95 HH TYR 95 -7.300 -2.768 0.124 815 H VAL 96 H VAL 96 -4.058 -7.203 -5.372 816 HA VAL 96 HA VAL 96 -1.285 -8.222 -5.838 817 HB VAL 96 HB VAL 96 -3.693 -8.408 -7.668 818 1HG1 VAL 96 1HG1 VAL 96 -1.901 -7.708 -9.079 819 2HG1 VAL 96 2HG1 VAL 96 -1.980 -9.462 -9.252 820 3HG1 VAL 96 3HG1 VAL 96 -0.740 -8.729 -8.234 821 1HG2 VAL 96 1HG2 VAL 96 -3.792 -10.450 -6.694 822 2HG2 VAL 96 2HG2 VAL 96 -2.217 -10.242 -5.928 823 3HG2 VAL 96 3HG2 VAL 96 -2.319 -10.827 -7.588 824 H ASP 97 H ASP 97 -0.128 -7.002 -7.542 825 HA ASP 97 HA ASP 97 -1.033 -4.163 -7.587 826 1HB ASP 97 2HB ASP 97 1.286 -4.686 -6.796 827 2HB ASP 97 1HB ASP 97 1.648 -5.338 -8.394 828 H LEU 98 H LEU 98 -1.249 -3.047 -9.609 829 HA LEU 98 HA LEU 98 -1.147 -4.803 -12.023 830 1HB LEU 98 2HB LEU 98 -3.482 -3.906 -10.771 831 2HB LEU 98 1HB LEU 98 -3.275 -2.828 -12.151 832 HG LEU 98 HG LEU 98 -4.587 -4.935 -12.648 833 1HD1 LEU 98 1HD1 LEU 98 -3.775 -3.952 -14.586 834 2HD1 LEU 98 2HD1 LEU 98 -2.957 -5.512 -14.657 835 3HD1 LEU 98 3HD1 LEU 98 -2.095 -4.088 -14.076 836 1HD2 LEU 98 1HD2 LEU 98 -2.419 -6.121 -11.292 837 2HD2 LEU 98 2HD2 LEU 98 -2.237 -6.597 -12.979 838 3HD2 LEU 98 3HD2 LEU 98 -3.733 -6.956 -12.118 839 H ARG 99 H ARG 99 -0.288 -3.887 -13.806 840 HA ARG 99 HA ARG 99 0.070 -0.922 -13.862 841 1HB ARG 99 2HB ARG 99 2.223 -1.825 -13.198 842 2HB ARG 99 1HB ARG 99 2.152 -3.043 -14.471 843 1HG ARG 99 2HG ARG 99 2.033 -1.115 -16.134 844 2HG ARG 99 1HG ARG 99 2.447 -0.050 -14.790 845 1HD ARG 99 2HD ARG 99 4.609 -0.516 -15.244 846 2HD ARG 99 1HD ARG 99 4.297 -2.125 -14.592 847 HE ARG 99 HE ARG 99 4.149 -1.436 -17.498 848 1HH1 ARG 99 2HH1 ARG 99 2.630 -3.884 -16.627 849 2HH1 ARG 99 1HH1 ARG 99 3.807 -5.133 -16.856 850 1HH2 ARG 99 1HH2 ARG 99 6.487 -2.941 -17.041 851 2HH2 ARG 99 2HH2 ARG 99 5.991 -4.600 -17.090 852 H ARG 100 H ARG 100 -0.620 -0.085 -15.795 853 HA ARG 100 HA ARG 100 -1.259 -2.026 -17.961 854 1HB ARG 100 2HB ARG 100 -3.132 -0.639 -17.285 855 2HB ARG 100 1HB ARG 100 -2.168 0.826 -17.478 856 1HG ARG 100 2HG ARG 100 -2.423 0.845 -19.738 857 2HG ARG 100 1HG ARG 100 -2.236 -0.903 -19.866 858 1HD ARG 100 2HD ARG 100 -4.477 -1.285 -19.724 859 2HD ARG 100 1HD ARG 100 -4.719 -0.008 -18.531 860 HE ARG 100 HE ARG 100 -4.787 1.611 -20.382 861 1HH1 ARG 100 1HH2 ARG 100 -3.789 -1.353 -21.642 862 2HH1 ARG 100 2HH2 ARG 100 -4.803 -1.291 -23.045 863 1HH2 ARG 100 2HH1 ARG 100 -6.515 1.541 -22.010 864 2HH2 ARG 100 1HH1 ARG 100 -6.347 0.347 -23.252 865 H PHE 101 H PHE 101 -0.541 -1.642 -20.110 866 HA PHE 101 HA PHE 101 1.412 0.558 -20.513 867 1HB PHE 101 2HB PHE 101 2.299 -1.971 -19.894 868 2HB PHE 101 1HB PHE 101 2.278 -2.017 -21.657 869 HD1 PHE 101 HD1 PHE 101 3.285 0.291 -18.870 870 HD2 PHE 101 HD2 PHE 101 4.146 -1.219 -22.800 871 HE1 PHE 101 HE1 PHE 101 5.367 1.639 -18.932 872 HE2 PHE 101 HE2 PHE 101 6.228 0.130 -22.862 873 HZ PHE 101 HZ PHE 101 6.838 1.560 -20.929 874 H PHE 102 HN PHE 102 1.587 1.181 -22.715 875 HA PHE 102 HA PHE 102 -0.462 -0.069 -24.500 876 1HB PHE 102 2HB PHE 102 -0.338 2.538 -23.711 877 2HB PHE 102 1HB PHE 102 0.613 2.602 -25.195 878 HD1 PHE 102 HD1 PHE 102 -2.709 2.176 -23.761 879 HD2 PHE 102 HD2 PHE 102 -0.380 1.810 -27.355 880 HE1 PHE 102 HE1 PHE 102 -4.794 2.096 -25.105 881 HE2 PHE 102 HE2 PHE 102 -2.465 1.730 -28.698 882 HZ PHE 102 HZ PHE 102 -4.671 1.873 -27.573 Start of MODEL 16 1 1H MET 1 1H MET 1 -3.417 -27.182 -63.059 2 2H MET 1 2H MET 1 -4.123 -28.100 -64.302 3 3H MET 1 3H MET 1 -4.858 -28.029 -62.772 4 HA MET 1 HA MET 1 -5.498 -26.476 -64.902 5 1HB MET 1 2HB MET 1 -5.971 -26.425 -61.953 6 2HB MET 1 1HB MET 1 -6.476 -25.015 -62.885 7 1HG MET 1 2HG MET 1 -7.224 -27.847 -63.644 8 2HG MET 1 1HG MET 1 -8.243 -26.819 -62.636 9 1HE MET 1 1HE MET 1 -10.415 -26.758 -64.593 10 2HE MET 1 2HE MET 1 -10.320 -25.010 -64.790 11 3HE MET 1 3HE MET 1 -9.872 -25.741 -63.252 12 H THR 2 H THR 2 -5.498 -24.031 -65.008 13 HA THR 2 HA THR 2 -2.760 -23.039 -64.382 14 HB THR 2 HB THR 2 -4.133 -21.142 -65.955 15 HG1 THR 2 HG1 THR 2 -4.579 -23.820 -66.769 16 1HG2 THR 2 1HG2 THR 2 -2.121 -23.302 -66.628 17 2HG2 THR 2 2HG2 THR 2 -1.778 -21.632 -66.176 18 3HG2 THR 2 3HG2 THR 2 -2.550 -21.987 -67.721 19 H VAL 3 H VAL 3 -4.670 -23.196 -62.264 20 HA VAL 3 HA VAL 3 -5.841 -20.544 -61.876 21 HB VAL 3 HB VAL 3 -6.788 -22.692 -60.919 22 1HG1 VAL 3 1HG1 VAL 3 -5.748 -23.697 -59.017 23 2HG1 VAL 3 2HG1 VAL 3 -4.591 -22.374 -58.863 24 3HG1 VAL 3 3HG1 VAL 3 -4.467 -23.502 -60.214 25 1HG2 VAL 3 1HG2 VAL 3 -7.804 -20.956 -59.829 26 2HG2 VAL 3 2HG2 VAL 3 -6.275 -20.157 -59.465 27 3HG2 VAL 3 3HG2 VAL 3 -6.825 -21.505 -58.470 28 H ILE 4 H ILE 4 -4.907 -18.845 -60.779 29 HA ILE 4 HA ILE 4 -2.115 -18.697 -60.397 30 HB ILE 4 HB ILE 4 -4.229 -17.138 -58.879 31 1HG1 ILE 4 2HG1 ILE 4 -2.884 -16.509 -61.527 32 2HG1 ILE 4 1HG1 ILE 4 -4.535 -17.111 -61.365 33 1HG2 ILE 4 1HG2 ILE 4 -1.430 -17.155 -58.665 34 2HG2 ILE 4 2HG2 ILE 4 -2.524 -15.914 -58.054 35 3HG2 ILE 4 3HG2 ILE 4 -1.801 -15.742 -59.653 36 1HD1 ILE 4 1HD1 ILE 4 -3.514 -14.406 -60.991 37 2HD1 ILE 4 2HD1 ILE 4 -4.419 -14.966 -59.583 38 3HD1 ILE 4 3HD1 ILE 4 -5.180 -14.957 -61.174 39 H LYS 5 H LYS 5 -4.673 -19.671 -58.155 40 HA LYS 5 HA LYS 5 -3.206 -21.452 -56.633 41 1HB LYS 5 2HB LYS 5 -2.437 -18.688 -56.063 42 2HB LYS 5 1HB LYS 5 -2.981 -19.546 -54.621 43 1HG LYS 5 2HG LYS 5 -1.127 -20.835 -54.577 44 2HG LYS 5 1HG LYS 5 -1.255 -21.201 -56.298 45 1HD LYS 5 2HD LYS 5 0.406 -19.756 -56.750 46 2HD LYS 5 1HD LYS 5 -0.509 -18.448 -56.001 47 1HE LYS 5 2HE LYS 5 0.323 -19.598 -53.759 48 2HE LYS 5 1HE LYS 5 1.599 -20.210 -54.812 49 1HZ LYS 5 1HZ LYS 5 2.575 -18.242 -54.723 50 2HZ LYS 5 2HZ LYS 5 1.353 -17.659 -53.697 51 3HZ LYS 5 3HZ LYS 5 1.200 -17.498 -55.382 52 HA PRO 6 HA PRO 6 -7.264 -21.575 -54.910 53 1HB PRO 6 2HB PRO 6 -6.794 -23.573 -53.080 54 2HB PRO 6 1HB PRO 6 -6.999 -23.863 -54.816 55 1HG PRO 6 2HG PRO 6 -4.501 -23.910 -53.187 56 2HG PRO 6 1HG PRO 6 -4.876 -24.766 -54.691 57 1HD PRO 6 2HD PRO 6 -3.295 -22.430 -54.467 58 2HD PRO 6 1HD PRO 6 -3.957 -23.102 -55.973 59 H SER 7 H SER 7 -7.930 -22.103 -52.287 60 HA SER 7 HA SER 7 -6.461 -20.015 -50.729 61 1HB SER 7 2HB SER 7 -9.447 -20.514 -50.864 62 2HB SER 7 1HB SER 7 -8.677 -19.446 -49.694 63 HG SER 7 HG SER 7 -9.395 -18.323 -51.559 64 H SER 8 H SER 8 -5.718 -22.650 -50.492 65 HA SER 8 HA SER 8 -7.135 -23.673 -48.078 66 1HB SER 8 2HB SER 8 -6.178 -24.980 -50.336 67 2HB SER 8 1HB SER 8 -4.943 -25.309 -49.124 68 HG SER 8 HG SER 8 -7.193 -26.536 -49.369 69 H ARG 9 H ARG 9 -5.845 -21.534 -47.272 70 HA ARG 9 HA ARG 9 -3.041 -21.773 -46.757 71 1HB ARG 9 2HB ARG 9 -5.275 -20.156 -45.557 72 2HB ARG 9 1HB ARG 9 -3.684 -20.154 -44.794 73 1HG ARG 9 2HG ARG 9 -3.048 -18.601 -46.295 74 2HG ARG 9 1HG ARG 9 -3.185 -19.840 -47.544 75 1HD ARG 9 2HD ARG 9 -5.354 -19.177 -48.143 76 2HD ARG 9 1HD ARG 9 -5.630 -18.355 -46.607 77 HE ARG 9 HE ARG 9 -3.470 -17.103 -48.046 78 1HH1 ARG 9 2HH1 ARG 9 -6.483 -16.561 -46.806 79 2HH1 ARG 9 1HH1 ARG 9 -7.005 -15.445 -48.024 80 1HH2 ARG 9 1HH2 ARG 9 -4.304 -16.050 -50.113 81 2HH2 ARG 9 2HH2 ARG 9 -5.771 -15.155 -49.896 82 HA PRO 10 HA PRO 10 -2.911 -24.569 -43.382 83 1HB PRO 10 2HB PRO 10 -0.759 -23.556 -42.003 84 2HB PRO 10 1HB PRO 10 -0.614 -24.451 -43.526 85 1HG PRO 10 2HG PRO 10 -0.330 -21.523 -43.036 86 2HG PRO 10 1HG PRO 10 0.386 -22.521 -44.312 87 1HD PRO 10 2HD PRO 10 -1.857 -20.818 -44.601 88 2HD PRO 10 1HD PRO 10 -1.333 -22.061 -45.757 89 H ARG 11 H ARG 11 -3.802 -24.761 -41.320 90 HA ARG 11 HA ARG 11 -4.075 -22.307 -39.662 91 1HB ARG 11 2HB ARG 11 -6.491 -23.288 -39.187 92 2HB ARG 11 1HB ARG 11 -6.212 -22.234 -40.573 93 1HG ARG 11 2HG ARG 11 -6.622 -23.896 -42.053 94 2HG ARG 11 1HG ARG 11 -5.641 -25.051 -41.150 95 1HD ARG 11 2HD ARG 11 -7.475 -25.980 -40.235 96 2HD ARG 11 1HD ARG 11 -8.040 -24.408 -39.668 97 HE ARG 11 HE ARG 11 -8.640 -24.405 -42.379 98 1HH1 ARG 11 2HH1 ARG 11 -9.280 -26.415 -39.644 99 2HH1 ARG 11 1HH1 ARG 11 -10.790 -26.995 -40.261 100 1HH2 ARG 11 1HH2 ARG 11 -10.598 -25.175 -43.204 101 2HH2 ARG 11 2HH2 ARG 11 -11.537 -26.293 -42.272 102 HA PRO 12 HA PRO 12 -2.948 -26.194 -37.358 103 1HB PRO 12 2HB PRO 12 -0.466 -25.332 -36.544 104 2HB PRO 12 1HB PRO 12 -0.747 -26.233 -38.045 105 1HG PRO 12 2HG PRO 12 -0.167 -23.329 -37.678 106 2HG PRO 12 1HG PRO 12 0.170 -24.374 -39.068 107 1HD PRO 12 2HD PRO 12 -1.962 -22.528 -38.872 108 2HD PRO 12 1HD PRO 12 -1.810 -23.819 -40.083 109 H ARG 13 H ARG 13 -3.525 -26.284 -35.204 110 HA ARG 13 HA ARG 13 -2.764 -24.373 -33.221 111 1HB ARG 13 2HB ARG 13 -5.115 -23.445 -32.829 112 2HB ARG 13 1HB ARG 13 -4.258 -22.801 -34.228 113 1HG ARG 13 2HG ARG 13 -5.536 -25.071 -35.219 114 2HG ARG 13 1HG ARG 13 -6.725 -24.356 -34.128 115 1HD ARG 13 2HD ARG 13 -5.261 -22.876 -36.336 116 2HD ARG 13 1HD ARG 13 -6.934 -23.429 -36.413 117 HE ARG 13 HE ARG 13 -7.428 -21.835 -34.553 118 1HH1 ARG 13 2HH1 ARG 13 -6.756 -20.097 -36.811 119 2HH1 ARG 13 1HH1 ARG 13 -5.501 -19.083 -36.178 120 1HH2 ARG 13 1HH2 ARG 13 -4.811 -21.163 -33.491 121 2HH2 ARG 13 2HH2 ARG 13 -4.400 -19.688 -34.300 122 H LYS 14 H LYS 14 -2.989 -27.245 -33.585 123 HA LYS 14 HA LYS 14 -4.999 -27.884 -31.462 124 1HB LYS 14 2HB LYS 14 -4.555 -30.302 -32.465 125 2HB LYS 14 1HB LYS 14 -5.701 -29.205 -33.236 126 1HG LYS 14 2HG LYS 14 -3.870 -28.418 -34.744 127 2HG LYS 14 1HG LYS 14 -2.804 -29.627 -34.027 128 1HD LYS 14 2HD LYS 14 -5.308 -30.844 -34.814 129 2HD LYS 14 1HD LYS 14 -4.579 -30.003 -36.182 130 1HE LYS 14 2HE LYS 14 -2.389 -31.161 -35.542 131 2HE LYS 14 1HE LYS 14 -3.357 -32.179 -34.476 132 1HZ LYS 14 1HZ LYS 14 -4.531 -31.986 -37.055 133 2HZ LYS 14 2HZ LYS 14 -4.049 -33.370 -36.195 134 3HZ LYS 14 3HZ LYS 14 -2.933 -32.541 -37.169 135 H ASN 15 H ASN 15 -4.277 -29.879 -30.144 136 HA ASN 15 HA ASN 15 -1.627 -30.756 -29.907 137 1HB ASN 15 2HB ASN 15 -0.860 -28.516 -29.531 138 2HB ASN 15 1HB ASN 15 -2.173 -28.188 -28.399 139 1HD2 ASN 15 1HD2 ASN 15 -1.060 -27.903 -26.430 140 2HD2 ASN 15 2HD2 ASN 15 0.000 -29.050 -25.762 141 H LYS 16 H LYS 16 -1.553 -32.326 -28.314 142 HA LYS 16 HA LYS 16 -3.956 -32.501 -26.553 143 1HB LYS 16 2HB LYS 16 -2.210 -34.495 -27.904 144 2HB LYS 16 1HB LYS 16 -2.806 -34.931 -26.302 145 1HG LYS 16 2HG LYS 16 -5.059 -33.884 -27.481 146 2HG LYS 16 1HG LYS 16 -4.272 -34.685 -28.841 147 1HD LYS 16 2HD LYS 16 -4.896 -36.699 -28.062 148 2HD LYS 16 1HD LYS 16 -4.101 -36.377 -26.521 149 1HE LYS 16 2HE LYS 16 -6.249 -34.868 -26.115 150 2HE LYS 16 1HE LYS 16 -6.961 -35.961 -27.302 151 1HZ LYS 16 1HZ LYS 16 -6.032 -36.505 -24.595 152 2HZ LYS 16 2HZ LYS 16 -5.748 -37.715 -25.753 153 3HZ LYS 16 3HZ LYS 16 -7.332 -37.178 -25.452 154 H ASN 17 H ASN 17 -3.174 -34.009 -24.496 155 HA ASN 17 HA ASN 17 -0.817 -32.565 -23.348 156 1HB ASN 17 2HB ASN 17 -2.070 -33.070 -21.115 157 2HB ASN 17 1HB ASN 17 -2.638 -31.734 -22.117 158 1HD2 ASN 17 1HD2 ASN 17 -4.503 -32.272 -23.637 159 2HD2 ASN 17 2HD2 ASN 17 -5.622 -33.452 -23.149 160 H ILE 18 H ILE 18 0.181 -33.846 -21.481 161 HA ILE 18 HA ILE 18 -0.061 -36.786 -21.948 162 HB ILE 18 HB ILE 18 2.456 -35.109 -21.832 163 1HG1 ILE 18 2HG1 ILE 18 2.532 -37.109 -23.825 164 2HG1 ILE 18 1HG1 ILE 18 0.907 -36.426 -23.894 165 1HG2 ILE 18 1HG2 ILE 18 2.022 -38.040 -21.287 166 2HG2 ILE 18 2HG2 ILE 18 3.038 -36.890 -20.416 167 3HG2 ILE 18 3HG2 ILE 18 3.535 -37.483 -22.002 168 1HD1 ILE 18 1HD1 ILE 18 3.320 -34.630 -23.728 169 2HD1 ILE 18 2HD1 ILE 18 1.704 -34.252 -24.322 170 3HD1 ILE 18 3HD1 ILE 18 2.779 -35.271 -25.280 171 H LYS 19 H LYS 19 2.258 -35.135 -19.861 172 HA LYS 19 HA LYS 19 1.752 -36.690 -17.581 173 1HB LYS 19 2HB LYS 19 2.786 -33.870 -17.898 174 2HB LYS 19 1HB LYS 19 2.646 -34.627 -16.311 175 1HG LYS 19 2HG LYS 19 4.318 -36.158 -16.737 176 2HG LYS 19 1HG LYS 19 3.992 -36.189 -18.470 177 1HD LYS 19 2HD LYS 19 4.805 -33.660 -18.314 178 2HD LYS 19 1HD LYS 19 5.648 -34.265 -16.887 179 1HE LYS 19 2HE LYS 19 7.245 -35.081 -18.248 180 2HE LYS 19 1HE LYS 19 6.051 -36.205 -18.898 181 1HZ LYS 19 1HZ LYS 19 5.815 -35.006 -20.753 182 2HZ LYS 19 2HZ LYS 19 7.305 -34.310 -20.330 183 3HZ LYS 19 3HZ LYS 19 5.853 -33.521 -19.935 184 H VAL 20 H VAL 20 0.668 -35.998 -15.526 185 HA VAL 20 HA VAL 20 -1.681 -34.219 -16.018 186 HB VAL 20 HB VAL 20 -3.135 -35.785 -14.858 187 1HG1 VAL 20 1HG1 VAL 20 -2.243 -37.911 -16.446 188 2HG1 VAL 20 2HG1 VAL 20 -1.675 -36.466 -17.283 189 3HG1 VAL 20 3HG1 VAL 20 -3.391 -36.658 -16.922 190 1HG2 VAL 20 1HG2 VAL 20 -1.489 -38.108 -14.686 191 2HG2 VAL 20 2HG2 VAL 20 -2.259 -37.228 -13.367 192 3HG2 VAL 20 3HG2 VAL 20 -0.631 -36.791 -13.885 193 H ASN 21 H ASN 21 -2.666 -34.892 -13.289 194 HA ASN 21 HA ASN 21 -0.499 -33.652 -11.648 195 1HB ASN 21 2HB ASN 21 -2.089 -31.886 -12.289 196 2HB ASN 21 1HB ASN 21 -3.428 -32.854 -11.671 197 1HD2 ASN 21 1HD2 ASN 21 -4.048 -31.581 -9.863 198 2HD2 ASN 21 2HD2 ASN 21 -3.007 -31.217 -8.573 199 H THR 22 H THR 22 -0.092 -34.964 -9.943 200 HA THR 22 HA THR 22 -2.378 -36.513 -8.794 201 HB THR 22 HB THR 22 -0.247 -38.080 -8.179 202 HG1 THR 22 HG1 THR 22 1.166 -36.800 -9.405 203 1HG2 THR 22 1HG2 THR 22 -2.415 -38.082 -10.097 204 2HG2 THR 22 2HG2 THR 22 -1.721 -39.434 -9.203 205 3HG2 THR 22 3HG2 THR 22 -1.016 -38.939 -10.743 206 H TYR 23 H TYR 23 -1.879 -34.090 -7.710 207 HA TYR 23 HA TYR 23 -1.325 -33.024 -5.695 208 1HB TYR 23 2HB TYR 23 -1.788 -35.843 -5.069 209 2HB TYR 23 1HB TYR 23 -0.676 -35.078 -3.934 210 HD1 TYR 23 HD1 TYR 23 -1.573 -33.907 -2.129 211 HD2 TYR 23 HD2 TYR 23 -3.906 -34.356 -5.709 212 HE1 TYR 23 HE1 TYR 23 -3.482 -32.766 -1.028 213 HE2 TYR 23 HE2 TYR 23 -5.815 -33.215 -4.608 214 HH TYR 23 HH TYR 23 -6.010 -32.733 -1.305 215 H ARG 24 H ARG 24 0.770 -33.336 -7.574 216 HA ARG 24 HA ARG 24 3.110 -33.747 -5.754 217 1HB ARG 24 2HB ARG 24 2.563 -34.702 -8.487 218 2HB ARG 24 1HB ARG 24 4.145 -33.947 -8.295 219 1HG ARG 24 2HG ARG 24 3.388 -35.782 -6.110 220 2HG ARG 24 1HG ARG 24 3.612 -36.557 -7.679 221 1HD ARG 24 2HD ARG 24 5.680 -34.567 -7.056 222 2HD ARG 24 1HD ARG 24 5.645 -35.922 -5.926 223 HE ARG 24 HE ARG 24 6.186 -36.118 -8.839 224 1HH1 ARG 24 1HH2 ARG 24 8.223 -37.081 -6.965 225 2HH1 ARG 24 2HH2 ARG 24 7.900 -38.780 -6.861 226 1HH2 ARG 24 2HH1 ARG 24 4.702 -38.521 -8.178 227 2HH2 ARG 24 1HH1 ARG 24 5.906 -39.596 -7.548 228 H THR 25 H THR 25 2.924 -32.327 -9.007 229 HA THR 25 HA THR 25 3.943 -29.778 -7.815 230 HB THR 25 HB THR 25 4.377 -30.961 -10.574 231 HG1 THR 25 HG1 THR 25 6.014 -31.783 -9.578 232 1HG2 THR 25 1HG2 THR 25 5.733 -28.993 -11.034 233 2HG2 THR 25 2HG2 THR 25 5.419 -28.363 -9.417 234 3HG2 THR 25 3HG2 THR 25 4.106 -28.477 -10.588 235 H SER 26 H SER 26 2.034 -28.622 -7.554 236 HA SER 26 HA SER 26 0.609 -27.919 -10.062 237 1HB SER 26 2HB SER 26 -1.571 -28.302 -9.095 238 2HB SER 26 1HB SER 26 -0.638 -29.784 -8.899 239 HG SER 26 HG SER 26 -0.128 -29.026 -6.767 240 H ALA 27 H ALA 27 1.839 -25.912 -9.694 241 HA ALA 27 HA ALA 27 0.518 -24.198 -7.632 242 1HB ALA 27 1HB ALA 27 2.642 -23.071 -7.223 243 2HB ALA 27 2HB ALA 27 3.433 -24.050 -8.458 244 3HB ALA 27 3HB ALA 27 2.858 -24.803 -6.971 245 H MET 28 H MET 28 -0.212 -24.501 -10.408 246 HA MET 28 HA MET 28 0.886 -22.141 -11.792 247 1HB MET 28 2HB MET 28 0.106 -24.452 -12.817 248 2HB MET 28 1HB MET 28 -1.482 -23.681 -12.799 249 1HG MET 28 2HG MET 28 -0.954 -22.384 -14.564 250 2HG MET 28 1HG MET 28 0.552 -21.866 -13.805 251 1HE MET 28 1HE MET 28 1.476 -21.516 -15.692 252 2HE MET 28 2HE MET 28 1.795 -22.579 -17.061 253 3HE MET 28 3HE MET 28 2.894 -22.575 -15.683 254 H ASP 29 H ASP 29 -0.004 -20.150 -11.564 255 HA ASP 29 HA ASP 29 -2.900 -19.822 -11.289 256 1HB ASP 29 2HB ASP 29 -1.070 -18.905 -9.051 257 2HB ASP 29 1HB ASP 29 -2.809 -18.624 -9.153 258 H LEU 30 H LEU 30 -0.185 -17.763 -10.263 259 HA LEU 30 HA LEU 30 -0.689 -16.030 -12.633 260 1HB LEU 30 2HB LEU 30 -1.225 -15.391 -9.829 261 2HB LEU 30 1HB LEU 30 -0.138 -14.229 -10.590 262 HG LEU 30 HG LEU 30 -2.431 -15.028 -12.264 263 1HD1 LEU 30 1HD1 LEU 30 -3.355 -13.000 -10.432 264 2HD1 LEU 30 2HD1 LEU 30 -2.930 -14.458 -9.537 265 3HD1 LEU 30 3HD1 LEU 30 -4.109 -14.539 -10.847 266 1HD2 LEU 30 1HD2 LEU 30 -1.084 -12.445 -11.433 267 2HD2 LEU 30 2HD2 LEU 30 -2.495 -12.489 -12.489 268 3HD2 LEU 30 3HD2 LEU 30 -0.990 -13.254 -12.998 269 H SER 31 H SER 31 1.130 -14.482 -12.987 270 HA SER 31 HA SER 31 3.648 -15.079 -11.578 271 1HB SER 31 2HB SER 31 4.545 -15.295 -14.152 272 2HB SER 31 1HB SER 31 4.197 -16.672 -13.110 273 HG SER 31 HG SER 31 2.327 -16.988 -14.130 274 HA PRO 32 HA PRO 32 4.566 -10.948 -12.732 275 1HB PRO 32 2HB PRO 32 7.290 -11.060 -13.099 276 2HB PRO 32 1HB PRO 32 6.511 -11.123 -11.508 277 1HG PRO 32 2HG PRO 32 7.774 -13.328 -13.067 278 2HG PRO 32 1HG PRO 32 7.558 -13.173 -11.315 279 1HD PRO 32 2HD PRO 32 5.980 -14.763 -13.050 280 2HD PRO 32 1HD PRO 32 5.587 -14.345 -11.369 281 H GLY 33 H GLY 33 4.228 -9.890 -14.654 282 1HA GLY 33 2HA GLY 33 4.661 -9.253 -16.905 283 2HA GLY 33 1HA GLY 33 5.801 -10.593 -17.035 284 H SER 34 H SER 34 2.354 -9.778 -17.060 285 HA SER 34 HA SER 34 1.814 -11.777 -19.082 286 1HB SER 34 2HB SER 34 1.777 -13.444 -17.437 287 2HB SER 34 1HB SER 34 1.148 -12.353 -16.206 288 HG SER 34 HG SER 34 -0.840 -12.417 -17.195 289 H VAL 35 H VAL 35 -0.326 -11.521 -19.934 290 HA VAL 35 HA VAL 35 -1.654 -9.022 -19.000 291 HB VAL 35 HB VAL 35 -2.115 -10.530 -21.586 292 1HG1 VAL 35 1HG1 VAL 35 -2.977 -8.273 -22.292 293 2HG1 VAL 35 2HG1 VAL 35 -2.797 -7.740 -20.621 294 3HG1 VAL 35 3HG1 VAL 35 -3.930 -9.032 -21.017 295 1HG2 VAL 35 1HG2 VAL 35 0.093 -9.881 -21.882 296 2HG2 VAL 35 2HG2 VAL 35 -0.053 -8.516 -20.774 297 3HG2 VAL 35 3HG2 VAL 35 -0.730 -8.409 -22.399 298 H HIS 36 H HIS 36 -4.082 -9.044 -19.070 299 HA HIS 36 HA HIS 36 -5.534 -11.528 -19.118 300 1HB HIS 36 2HB HIS 36 -4.084 -11.184 -16.776 301 2HB HIS 36 1HB HIS 36 -5.693 -10.599 -16.348 302 HD1 HIS 36 HD1 HIS 36 -7.452 -12.339 -15.915 303 HD2 HIS 36 HD2 HIS 36 -4.161 -13.922 -17.924 304 HE1 HIS 36 HE1 HIS 36 -7.831 -14.840 -16.049 305 H GLU 37 H GLU 37 -7.823 -11.188 -18.388 306 HA GLU 37 HA GLU 37 -8.589 -8.346 -18.839 307 1HB GLU 37 2HB GLU 37 -10.306 -10.845 -18.951 308 2HB GLU 37 1HB GLU 37 -10.791 -9.221 -19.441 309 1HG GLU 37 2HG GLU 37 -10.177 -10.143 -21.490 310 2HG GLU 37 1HG GLU 37 -8.670 -9.374 -20.995 311 H GLY 38 H GLY 38 -9.847 -7.247 -17.329 312 1HA GLY 38 2HA GLY 38 -10.898 -8.678 -14.976 313 2HA GLY 38 1HA GLY 38 -9.603 -7.525 -14.648 314 H ILE 39 H ILE 39 -11.859 -6.864 -13.420 315 HA ILE 39 HA ILE 39 -13.405 -5.047 -15.194 316 HB ILE 39 HB ILE 39 -13.872 -5.600 -12.254 317 1HG1 ILE 39 2HG1 ILE 39 -15.059 -7.031 -14.655 318 2HG1 ILE 39 1HG1 ILE 39 -13.867 -7.723 -13.555 319 1HG2 ILE 39 1HG2 ILE 39 -16.054 -4.733 -12.663 320 2HG2 ILE 39 2HG2 ILE 39 -15.839 -4.815 -14.411 321 3HG2 ILE 39 3HG2 ILE 39 -14.951 -3.618 -13.469 322 1HD1 ILE 39 1HD1 ILE 39 -16.601 -7.912 -13.241 323 2HD1 ILE 39 2HD1 ILE 39 -16.188 -6.566 -12.179 324 3HD1 ILE 39 3HD1 ILE 39 -15.416 -8.135 -11.954 325 H VAL 40 H VAL 40 -13.633 -2.772 -14.593 326 HA VAL 40 HA VAL 40 -11.183 -1.788 -13.218 327 HB VAL 40 HB VAL 40 -13.212 -0.384 -14.979 328 1HG1 VAL 40 1HG1 VAL 40 -11.675 1.545 -14.850 329 2HG1 VAL 40 2HG1 VAL 40 -10.666 0.665 -13.702 330 3HG1 VAL 40 3HG1 VAL 40 -12.307 1.135 -13.256 331 1HG2 VAL 40 1HG2 VAL 40 -10.681 -1.803 -15.422 332 2HG2 VAL 40 2HG2 VAL 40 -10.684 -0.171 -16.091 333 3HG2 VAL 40 3HG2 VAL 40 -11.920 -1.329 -16.585 334 H TYR 41 H TYR 41 -11.315 -0.221 -11.542 335 HA TYR 41 HA TYR 41 -14.008 0.308 -10.398 336 1HB TYR 41 2HB TYR 41 -12.936 -1.749 -9.321 337 2HB TYR 41 1HB TYR 41 -11.707 -0.656 -8.686 338 HD1 TYR 41 HD1 TYR 41 -15.327 -1.462 -8.668 339 HD2 TYR 41 HD2 TYR 41 -12.181 0.855 -6.878 340 HE1 TYR 41 HE1 TYR 41 -16.850 -0.827 -6.814 341 HE2 TYR 41 HE2 TYR 41 -13.704 1.491 -5.025 342 HH TYR 41 HH TYR 41 -15.730 1.279 -4.157 343 H PHE 42 H PHE 42 -13.995 2.174 -8.954 344 HA PHE 42 HA PHE 42 -11.659 3.956 -9.476 345 1HB PHE 42 2HB PHE 42 -13.135 5.812 -9.263 346 2HB PHE 42 1HB PHE 42 -14.024 4.626 -10.219 347 HD1 PHE 42 HD1 PHE 42 -13.823 6.395 -7.026 348 HD2 PHE 42 HD2 PHE 42 -15.819 3.257 -9.179 349 HE1 PHE 42 HE1 PHE 42 -15.628 6.377 -5.324 350 HE2 PHE 42 HE2 PHE 42 -17.625 3.240 -7.478 351 HZ PHE 42 HZ PHE 42 -17.530 4.799 -5.550 352 H LYS 43 H LYS 43 -10.349 4.395 -7.773 353 HA LYS 43 HA LYS 43 -11.307 3.690 -5.050 354 1HB LYS 43 2HB LYS 43 -8.748 3.605 -6.425 355 2HB LYS 43 1HB LYS 43 -8.624 4.476 -4.896 356 1HG LYS 43 2HG LYS 43 -10.267 2.140 -4.533 357 2HG LYS 43 1HG LYS 43 -8.736 1.671 -5.271 358 1HD LYS 43 2HD LYS 43 -7.669 1.955 -3.313 359 2HD LYS 43 1HD LYS 43 -8.229 3.625 -3.224 360 1HE LYS 43 2HE LYS 43 -9.426 2.946 -1.425 361 2HE LYS 43 1HE LYS 43 -10.509 2.199 -2.600 362 1HZ LYS 43 1HZ LYS 43 -9.068 0.910 -0.658 363 2HZ LYS 43 2HZ LYS 43 -8.227 0.573 -2.096 364 3HZ LYS 43 3HZ LYS 43 -9.876 0.187 -1.963 365 H ASP 44 H ASP 44 -9.664 5.352 -3.539 366 HA ASP 44 HA ASP 44 -11.122 7.876 -3.759 367 1HB ASP 44 2HB ASP 44 -8.792 7.321 -1.914 368 2HB ASP 44 1HB ASP 44 -10.138 8.434 -1.667 369 H GLY 45 H GLY 45 -8.658 6.743 -5.536 370 1HA GLY 45 2HA GLY 45 -7.871 9.229 -6.608 371 2HA GLY 45 1HA GLY 45 -6.677 8.816 -5.379 372 H ILE 46 H ILE 46 -7.086 5.874 -5.946 373 HA ILE 46 HA ILE 46 -5.445 5.807 -8.442 374 HB ILE 46 HB ILE 46 -4.820 3.472 -7.472 375 1HG1 ILE 46 2HG1 ILE 46 -5.535 4.784 -4.858 376 2HG1 ILE 46 1HG1 ILE 46 -6.737 3.817 -5.714 377 1HG2 ILE 46 1HG2 ILE 46 -3.927 5.933 -5.944 378 2HG2 ILE 46 2HG2 ILE 46 -3.365 5.539 -7.568 379 3HG2 ILE 46 3HG2 ILE 46 -3.003 4.457 -6.223 380 1HD1 ILE 46 1HD1 ILE 46 -4.616 2.890 -4.060 381 2HD1 ILE 46 2HD1 ILE 46 -4.244 2.394 -5.712 382 3HD1 ILE 46 3HD1 ILE 46 -5.776 1.924 -4.973 383 H PHE 47 H PHE 47 -5.652 3.267 -9.276 384 HA PHE 47 HA PHE 47 -8.579 2.960 -9.794 385 1HB PHE 47 2HB PHE 47 -6.116 2.314 -11.404 386 2HB PHE 47 1HB PHE 47 -7.646 1.504 -11.745 387 HD1 PHE 47 HD1 PHE 47 -6.732 5.010 -10.754 388 HD2 PHE 47 HD2 PHE 47 -8.698 2.455 -13.595 389 HE1 PHE 47 HE1 PHE 47 -7.512 7.004 -12.007 390 HE2 PHE 47 HE2 PHE 47 -9.479 4.449 -14.849 391 HZ PHE 47 HZ PHE 47 -8.886 6.724 -14.054 392 H LYS 48 H LYS 48 -9.387 0.713 -9.925 393 HA LYS 48 HA LYS 48 -7.712 -1.228 -8.401 394 1HB LYS 48 2HB LYS 48 -10.116 0.045 -7.501 395 2HB LYS 48 1HB LYS 48 -10.446 -1.671 -7.743 396 1HG LYS 48 2HG LYS 48 -8.749 -2.330 -6.230 397 2HG LYS 48 1HG LYS 48 -7.981 -0.743 -6.271 398 1HD LYS 48 2HD LYS 48 -9.239 -1.056 -4.172 399 2HD LYS 48 1HD LYS 48 -9.941 0.241 -5.140 400 1HE LYS 48 2HE LYS 48 -11.894 -0.882 -4.803 401 2HE LYS 48 1HE LYS 48 -11.307 -1.920 -6.102 402 1HZ LYS 48 1HZ LYS 48 -10.786 -3.571 -4.679 403 2HZ LYS 48 2HZ LYS 48 -11.992 -2.846 -3.727 404 3HZ LYS 48 3HZ LYS 48 -10.352 -2.521 -3.420 405 H VAL 49 H VAL 49 -7.618 -3.178 -9.411 406 HA VAL 49 HA VAL 49 -9.599 -3.711 -11.583 407 HB VAL 49 HB VAL 49 -7.078 -5.300 -11.232 408 1HG1 VAL 49 1HG1 VAL 49 -7.554 -4.555 -13.904 409 2HG1 VAL 49 2HG1 VAL 49 -9.144 -4.897 -13.223 410 3HG1 VAL 49 3HG1 VAL 49 -7.879 -6.125 -13.169 411 1HG2 VAL 49 1HG2 VAL 49 -5.933 -3.313 -11.224 412 2HG2 VAL 49 2HG2 VAL 49 -7.289 -2.413 -11.903 413 3HG2 VAL 49 3HG2 VAL 49 -6.257 -3.381 -12.955 414 H ARG 50 H ARG 50 -11.164 -5.152 -11.030 415 HA ARG 50 HA ARG 50 -10.617 -7.026 -8.784 416 1HB ARG 50 2HB ARG 50 -12.916 -5.539 -9.664 417 2HB ARG 50 1HB ARG 50 -13.303 -7.260 -9.670 418 1HG ARG 50 2HG ARG 50 -11.873 -6.019 -7.327 419 2HG ARG 50 1HG ARG 50 -13.631 -5.934 -7.454 420 1HD ARG 50 2HD ARG 50 -13.504 -8.494 -7.877 421 2HD ARG 50 1HD ARG 50 -11.878 -8.374 -7.206 422 HE ARG 50 HE ARG 50 -12.901 -8.260 -5.099 423 1HH1 ARG 50 1HH2 ARG 50 -15.438 -8.383 -7.207 424 2HH1 ARG 50 2HH2 ARG 50 -16.523 -7.403 -6.279 425 1HH2 ARG 50 2HH1 ARG 50 -14.092 -6.383 -4.026 426 2HH2 ARG 50 1HH1 ARG 50 -15.761 -6.271 -4.477 427 H LEU 51 H LEU 51 -10.064 -9.082 -9.289 428 HA LEU 51 HA LEU 51 -10.504 -10.075 -12.033 429 1HB LEU 51 2HB LEU 51 -8.660 -10.636 -9.869 430 2HB LEU 51 1HB LEU 51 -9.406 -12.128 -10.443 431 HG LEU 51 HG LEU 51 -8.885 -11.185 -12.822 432 1HD1 LEU 51 1HD1 LEU 51 -7.907 -9.150 -12.801 433 2HD1 LEU 51 2HD1 LEU 51 -6.469 -9.941 -12.156 434 3HD1 LEU 51 3HD1 LEU 51 -7.647 -9.223 -11.058 435 1HD2 LEU 51 1HD2 LEU 51 -7.121 -12.511 -10.827 436 2HD2 LEU 51 2HD2 LEU 51 -6.334 -11.922 -12.292 437 3HD2 LEU 51 3HD2 LEU 51 -7.659 -13.081 -12.408 438 H LEU 52 H LEU 52 -12.927 -10.009 -11.583 439 HA LEU 52 HA LEU 52 -14.078 -11.896 -9.721 440 1HB LEU 52 2HB LEU 52 -15.203 -9.839 -10.779 441 2HB LEU 52 1HB LEU 52 -15.426 -10.842 -12.213 442 HG LEU 52 HG LEU 52 -16.236 -12.372 -9.941 443 1HD1 LEU 52 1HD1 LEU 52 -17.124 -9.502 -9.972 444 2HD1 LEU 52 2HD1 LEU 52 -16.727 -10.530 -8.595 445 3HD1 LEU 52 3HD1 LEU 52 -18.253 -10.752 -9.450 446 1HD2 LEU 52 1HD2 LEU 52 -17.370 -12.944 -11.853 447 2HD2 LEU 52 2HD2 LEU 52 -17.367 -11.291 -12.471 448 3HD2 LEU 52 3HD2 LEU 52 -18.534 -11.770 -11.239 449 H GLY 53 H GLY 53 -14.355 -14.066 -9.986 450 1HA GLY 53 2HA GLY 53 -15.127 -15.870 -11.564 451 2HA GLY 53 1HA GLY 53 -14.026 -15.169 -12.750 452 H TYR 54 H TYR 54 -11.892 -14.665 -10.821 453 HA TYR 54 HA TYR 54 -10.668 -17.305 -10.880 454 1HB TYR 54 2HB TYR 54 -9.641 -14.804 -10.983 455 2HB TYR 54 1HB TYR 54 -9.420 -15.147 -9.267 456 HD1 TYR 54 HD1 TYR 54 -7.223 -14.839 -11.440 457 HD2 TYR 54 HD2 TYR 54 -9.236 -18.249 -9.771 458 HE1 TYR 54 HE1 TYR 54 -5.261 -16.260 -11.976 459 HE2 TYR 54 HE2 TYR 54 -7.274 -19.670 -10.308 460 HH TYR 54 HH TYR 54 -5.051 -19.012 -12.420 461 H GLU 55 H GLU 55 -10.930 -15.066 -8.120 462 HA GLU 55 HA GLU 55 -12.398 -16.835 -6.431 463 1HB GLU 55 2HB GLU 55 -9.799 -17.742 -6.836 464 2HB GLU 55 1HB GLU 55 -9.702 -16.881 -5.299 465 1HG GLU 55 2HG GLU 55 -11.503 -18.200 -4.369 466 2HG GLU 55 1HG GLU 55 -11.820 -18.953 -5.933 467 H GLY 56 H GLY 56 -12.758 -14.220 -6.716 468 1HA GLY 56 2HA GLY 56 -12.993 -12.257 -5.449 469 2HA GLY 56 1HA GLY 56 -12.357 -13.159 -4.071 470 H HIS 57 H HIS 57 -10.252 -13.422 -6.683 471 HA HIS 57 HA HIS 57 -8.059 -12.198 -5.471 472 1HB HIS 57 2HB HIS 57 -8.699 -13.194 -8.088 473 2HB HIS 57 1HB HIS 57 -7.829 -11.671 -8.258 474 HD1 HIS 57 HD1 HIS 57 -6.189 -13.925 -9.164 475 HD2 HIS 57 HD2 HIS 57 -6.393 -12.961 -5.113 476 HE1 HIS 57 HE1 HIS 57 -4.128 -14.927 -8.084 477 H GLU 58 H GLU 58 -7.820 -10.127 -4.795 478 HA GLU 58 HA GLU 58 -9.301 -7.990 -6.259 479 1HB GLU 58 2HB GLU 58 -9.574 -8.405 -3.704 480 2HB GLU 58 1HB GLU 58 -7.989 -7.642 -3.569 481 1HG GLU 58 2HG GLU 58 -9.063 -5.792 -5.100 482 2HG GLU 58 1HG GLU 58 -10.585 -6.456 -4.501 483 H CYS 59 H CYS 59 -8.009 -7.034 -7.751 484 HA CYS 59 HA CYS 59 -5.135 -6.601 -7.051 485 1HB CYS 59 2HB CYS 59 -6.348 -6.432 -9.817 486 2HB CYS 59 1HB CYS 59 -4.645 -6.596 -9.386 487 HG CYS 59 HG CYS 59 -5.524 -9.018 -8.312 488 H ILE 60 H ILE 60 -4.228 -4.508 -7.967 489 HA ILE 60 HA ILE 60 -6.296 -2.360 -8.064 490 HB ILE 60 HB ILE 60 -4.665 -0.953 -6.701 491 1HG1 ILE 60 2HG1 ILE 60 -3.537 -3.410 -5.512 492 2HG1 ILE 60 1HG1 ILE 60 -2.956 -3.053 -7.139 493 1HG2 ILE 60 1HG2 ILE 60 -6.265 -1.438 -5.186 494 2HG2 ILE 60 2HG2 ILE 60 -5.242 -2.769 -4.646 495 3HG2 ILE 60 3HG2 ILE 60 -6.492 -3.052 -5.857 496 1HD1 ILE 60 1HD1 ILE 60 -2.596 -0.643 -6.273 497 2HD1 ILE 60 2HD1 ILE 60 -1.459 -1.881 -5.736 498 3HD1 ILE 60 3HD1 ILE 60 -2.751 -1.345 -4.662 499 H LEU 61 H LEU 61 -5.897 -0.840 -9.646 500 HA LEU 61 HA LEU 61 -3.434 -1.237 -11.262 501 1HB LEU 61 2HB LEU 61 -5.683 -1.268 -12.382 502 2HB LEU 61 1HB LEU 61 -5.887 0.421 -11.914 503 HG LEU 61 HG LEU 61 -3.440 0.562 -13.061 504 1HD1 LEU 61 1HD1 LEU 61 -3.806 -0.805 -15.254 505 2HD1 LEU 61 2HD1 LEU 61 -4.886 -1.791 -14.267 506 3HD1 LEU 61 3HD1 LEU 61 -3.183 -1.645 -13.833 507 1HD2 LEU 61 1HD2 LEU 61 -4.684 1.279 -15.145 508 2HD2 LEU 61 2HD2 LEU 61 -5.280 2.015 -13.656 509 3HD2 LEU 61 3HD2 LEU 61 -6.162 0.678 -14.394 510 H LEU 62 H LEU 62 -1.807 0.229 -11.159 511 HA LEU 62 HA LEU 62 -2.435 3.018 -10.356 512 1HB LEU 62 2HB LEU 62 -1.847 1.963 -8.247 513 2HB LEU 62 1HB LEU 62 -0.407 1.242 -8.967 514 HG LEU 62 HG LEU 62 0.636 3.377 -9.250 515 1HD1 LEU 62 1HD1 LEU 62 -0.985 5.329 -8.189 516 2HD1 LEU 62 2HD1 LEU 62 -2.149 4.318 -9.045 517 3HD1 LEU 62 3HD1 LEU 62 -0.784 5.021 -9.914 518 1HD2 LEU 62 1HD2 LEU 62 0.012 2.360 -6.775 519 2HD2 LEU 62 2HD2 LEU 62 -0.573 4.019 -6.635 520 3HD2 LEU 62 3HD2 LEU 62 1.113 3.710 -7.048 521 H ASP 63 H ASP 63 0.111 0.730 -11.369 522 HA ASP 63 HA ASP 63 2.007 2.584 -12.306 523 1HB ASP 63 2HB ASP 63 1.695 -0.177 -12.419 524 2HB ASP 63 1HB ASP 63 1.690 0.309 -14.114 525 H TYR 64 H TYR 64 -0.970 1.439 -13.838 526 HA TYR 64 HA TYR 64 -0.703 2.295 -16.454 527 1HB TYR 64 2HB TYR 64 -2.783 1.316 -15.687 528 2HB TYR 64 1HB TYR 64 -3.074 2.679 -14.605 529 HD1 TYR 64 HD1 TYR 64 -1.676 2.965 -18.025 530 HD2 TYR 64 HD2 TYR 64 -5.157 3.432 -15.550 531 HE1 TYR 64 HE1 TYR 64 -2.819 4.179 -19.862 532 HE2 TYR 64 HE2 TYR 64 -6.300 4.646 -17.387 533 HH TYR 64 HH TYR 64 -4.902 6.053 -19.810 534 H LEU 65 H LEU 65 -2.165 4.450 -13.993 535 HA LEU 65 HA LEU 65 -1.900 6.832 -15.477 536 1HB LEU 65 2HB LEU 65 -2.216 6.157 -12.596 537 2HB LEU 65 1HB LEU 65 -1.637 7.784 -12.963 538 HG LEU 65 HG LEU 65 -3.557 8.212 -14.380 539 1HD1 LEU 65 1HD1 LEU 65 -4.197 6.314 -15.499 540 2HD1 LEU 65 2HD1 LEU 65 -5.356 6.211 -14.174 541 3HD1 LEU 65 3HD1 LEU 65 -3.869 5.265 -14.120 542 1HD2 LEU 65 1HD2 LEU 65 -3.672 8.017 -11.680 543 2HD2 LEU 65 2HD2 LEU 65 -4.937 6.869 -12.116 544 3HD2 LEU 65 3HD2 LEU 65 -5.040 8.542 -12.662 545 H ASN 66 H ASN 66 0.276 5.764 -12.830 546 HA ASN 66 HA ASN 66 2.555 6.209 -12.487 547 1HB ASN 66 2HB ASN 66 2.302 5.317 -15.079 548 2HB ASN 66 1HB ASN 66 3.131 6.860 -15.298 549 1HD2 ASN 66 1HD2 ASN 66 5.253 7.127 -14.250 550 2HD2 ASN 66 2HD2 ASN 66 6.136 5.777 -13.722 551 H TYR 67 H TYR 67 0.575 8.422 -12.496 552 HA TYR 67 HA TYR 67 0.559 10.767 -12.415 553 1HB TYR 67 2HB TYR 67 2.977 9.843 -11.300 554 2HB TYR 67 1HB TYR 67 3.419 11.199 -12.338 555 HD1 TYR 67 HD1 TYR 67 1.513 10.151 -9.372 556 HD2 TYR 67 HD2 TYR 67 2.524 13.447 -11.938 557 HE1 TYR 67 HE1 TYR 67 0.631 11.737 -7.682 558 HE2 TYR 67 HE2 TYR 67 1.642 15.034 -10.248 559 HH TYR 67 HH TYR 67 0.442 13.885 -7.101 560 H ARG 68 H ARG 68 0.058 10.319 -14.873 561 HA ARG 68 HA ARG 68 1.872 12.100 -16.406 562 1HB ARG 68 2HB ARG 68 2.448 9.646 -16.844 563 2HB ARG 68 1HB ARG 68 0.853 9.508 -17.590 564 1HG ARG 68 2HG ARG 68 1.497 10.641 -19.445 565 2HG ARG 68 1HG ARG 68 2.381 11.846 -18.507 566 1HD ARG 68 2HD ARG 68 4.340 10.586 -18.478 567 2HD ARG 68 1HD ARG 68 3.485 9.064 -18.732 568 HE ARG 68 HE ARG 68 4.652 10.455 -20.816 569 1HH1 ARG 68 1HH2 ARG 68 2.680 8.048 -20.938 570 2HH1 ARG 68 2HH2 ARG 68 1.547 8.649 -22.102 571 1HH2 ARG 68 2HH1 ARG 68 2.653 11.927 -21.880 572 2HH2 ARG 68 1HH1 ARG 68 1.531 10.845 -22.635 573 H GLN 69 H GLN 69 0.243 13.695 -16.421 574 HA GLN 69 HA GLN 69 -1.694 14.763 -17.205 575 1HB GLN 69 2HB GLN 69 -1.388 12.466 -19.133 576 2HB GLN 69 1HB GLN 69 -2.798 13.522 -19.220 577 1HG GLN 69 2HG GLN 69 -1.288 14.579 -20.669 578 2HG GLN 69 1HG GLN 69 -1.050 15.460 -19.159 579 1HE2 GLN 69 1HE2 GLN 69 1.195 15.940 -19.952 580 2HE2 GLN 69 2HE2 GLN 69 2.399 14.752 -19.811 581 H ASP 70 H ASP 70 -4.007 14.635 -16.919 582 HA ASP 70 HA ASP 70 -4.870 12.146 -15.501 583 1HB ASP 70 2HB ASP 70 -5.528 15.054 -15.052 584 2HB ASP 70 1HB ASP 70 -6.597 13.780 -14.462 585 H THR 71 H THR 71 -6.314 14.908 -17.282 586 HA THR 71 HA THR 71 -8.070 14.932 -18.840 587 HB THR 71 HB THR 71 -7.976 12.103 -19.551 588 HG1 THR 71 HG1 THR 71 -5.911 11.823 -19.548 589 1HG2 THR 71 1HG2 THR 71 -7.144 13.291 -21.728 590 2HG2 THR 71 2HG2 THR 71 -7.563 14.773 -20.868 591 3HG2 THR 71 3HG2 THR 71 -8.801 13.557 -21.185 592 H LEU 72 H LEU 72 -9.822 15.176 -17.419 593 HA LEU 72 HA LEU 72 -10.887 13.111 -15.765 594 1HB LEU 72 2HB LEU 72 -11.937 15.707 -16.843 595 2HB LEU 72 1HB LEU 72 -13.052 14.596 -16.049 596 HG LEU 72 HG LEU 72 -10.718 14.704 -14.438 597 1HD1 LEU 72 1HD1 LEU 72 -11.798 17.468 -15.054 598 2HD1 LEU 72 2HD1 LEU 72 -10.278 16.849 -15.699 599 3HD1 LEU 72 3HD1 LEU 72 -10.478 17.058 -13.960 600 1HD2 LEU 72 1HD2 LEU 72 -13.566 15.002 -14.254 601 2HD2 LEU 72 2HD2 LEU 72 -12.809 16.311 -13.346 602 3HD2 LEU 72 3HD2 LEU 72 -12.421 14.632 -12.964 603 H ASP 73 H ASP 73 -11.755 14.155 -19.062 604 HA ASP 73 HA ASP 73 -13.091 13.099 -20.681 605 1HB ASP 73 2HB ASP 73 -11.461 11.025 -19.362 606 2HB ASP 73 1HB ASP 73 -12.891 10.406 -20.189 607 H ARG 74 H ARG 74 -15.013 13.991 -19.495 608 HA ARG 74 HA ARG 74 -16.497 12.767 -17.500 609 1HB ARG 74 2HB ARG 74 -18.549 13.536 -18.957 610 2HB ARG 74 1HB ARG 74 -17.447 14.748 -18.300 611 1HG ARG 74 2HG ARG 74 -16.438 15.147 -20.358 612 2HG ARG 74 1HG ARG 74 -16.863 13.556 -20.990 613 1HD ARG 74 2HD ARG 74 -19.116 14.180 -21.364 614 2HD ARG 74 1HD ARG 74 -18.982 15.602 -20.329 615 HE ARG 74 HE ARG 74 -17.491 16.581 -22.111 616 1HH1 ARG 74 2HH1 ARG 74 -20.434 15.868 -22.973 617 2HH1 ARG 74 1HH1 ARG 74 -20.131 15.326 -24.589 618 1HH2 ARG 74 1HH2 ARG 74 -16.705 15.046 -24.136 619 2HH2 ARG 74 2HH2 ARG 74 -18.020 14.863 -25.248 620 H LEU 75 H LEU 75 -15.982 11.639 -20.768 621 HA LEU 75 HA LEU 75 -18.142 9.713 -20.797 622 1HB LEU 75 2HB LEU 75 -16.179 10.637 -22.612 623 2HB LEU 75 1HB LEU 75 -15.906 8.903 -22.435 624 HG LEU 75 HG LEU 75 -18.652 10.074 -22.925 625 1HD1 LEU 75 1HD1 LEU 75 -18.352 9.526 -25.287 626 2HD1 LEU 75 2HD1 LEU 75 -16.719 8.940 -24.970 627 3HD1 LEU 75 3HD1 LEU 75 -17.092 10.655 -24.788 628 1HD2 LEU 75 1HD2 LEU 75 -19.354 7.896 -23.070 629 2HD2 LEU 75 2HD2 LEU 75 -17.942 7.603 -22.056 630 3HD2 LEU 75 3HD2 LEU 75 -17.843 7.352 -23.798 631 H LYS 76 H LYS 76 -14.627 9.421 -20.204 632 HA LYS 76 HA LYS 76 -14.603 6.641 -19.646 633 1HB LYS 76 2HB LYS 76 -12.678 8.509 -19.807 634 2HB LYS 76 1HB LYS 76 -12.811 8.408 -18.051 635 1HG LYS 76 2HG LYS 76 -11.169 6.785 -18.690 636 2HG LYS 76 1HG LYS 76 -12.634 5.879 -18.306 637 1HD LYS 76 2HD LYS 76 -13.209 5.763 -20.692 638 2HD LYS 76 1HD LYS 76 -11.773 6.705 -21.094 639 1HE LYS 76 2HE LYS 76 -10.306 4.970 -20.443 640 2HE LYS 76 1HE LYS 76 -11.566 4.130 -19.538 641 1HZ LYS 76 1HZ LYS 76 -12.145 3.023 -21.348 642 2HZ LYS 76 2HZ LYS 76 -10.824 3.708 -22.167 643 3HZ LYS 76 3HZ LYS 76 -12.349 4.454 -22.234 644 H GLU 77 H GLU 77 -15.647 9.352 -17.702 645 HA GLU 77 HA GLU 77 -15.493 8.257 -15.110 646 1HB GLU 77 2HB GLU 77 -16.324 10.595 -15.898 647 2HB GLU 77 1HB GLU 77 -17.905 9.821 -16.012 648 1HG GLU 77 2HG GLU 77 -17.628 9.051 -13.636 649 2HG GLU 77 1HG GLU 77 -16.153 10.015 -13.548 650 H ARG 78 H ARG 78 -18.319 8.093 -17.320 651 HA ARG 78 HA ARG 78 -19.639 6.122 -15.639 652 1HB ARG 78 2HB ARG 78 -20.194 7.424 -18.273 653 2HB ARG 78 1HB ARG 78 -21.035 5.919 -17.899 654 1HG ARG 78 2HG ARG 78 -20.955 8.002 -15.766 655 2HG ARG 78 1HG ARG 78 -22.007 8.301 -17.149 656 1HD ARG 78 2HD ARG 78 -23.406 6.547 -16.641 657 2HD ARG 78 1HD ARG 78 -22.109 5.580 -15.939 658 HE ARG 78 HE ARG 78 -23.444 7.852 -14.526 659 1HH1 ARG 78 2HH1 ARG 78 -23.312 4.593 -14.360 660 2HH1 ARG 78 1HH1 ARG 78 -22.623 4.480 -12.775 661 1HH2 ARG 78 1HH2 ARG 78 -21.846 7.854 -12.581 662 2HH2 ARG 78 2HH2 ARG 78 -21.795 6.326 -11.766 663 H LEU 79 H LEU 79 -17.451 5.995 -18.368 664 HA LEU 79 HA LEU 79 -18.023 3.307 -19.200 665 1HB LEU 79 2HB LEU 79 -16.575 5.157 -20.349 666 2HB LEU 79 1HB LEU 79 -15.267 4.509 -19.359 667 HG LEU 79 HG LEU 79 -16.017 2.194 -20.269 668 1HD1 LEU 79 1HD1 LEU 79 -17.896 3.908 -21.547 669 2HD1 LEU 79 2HD1 LEU 79 -17.709 2.167 -21.752 670 3HD1 LEU 79 3HD1 LEU 79 -16.827 3.277 -22.800 671 1HD2 LEU 79 1HD2 LEU 79 -14.025 2.541 -21.276 672 2HD2 LEU 79 2HD2 LEU 79 -14.307 4.281 -21.347 673 3HD2 LEU 79 3HD2 LEU 79 -14.910 3.238 -22.634 674 H VAL 80 H VAL 80 -16.104 4.643 -16.587 675 HA VAL 80 HA VAL 80 -14.347 2.620 -15.920 676 HB VAL 80 HB VAL 80 -16.190 3.996 -13.947 677 1HG1 VAL 80 1HG1 VAL 80 -13.506 2.617 -13.707 678 2HG1 VAL 80 2HG1 VAL 80 -15.001 2.219 -12.862 679 3HG1 VAL 80 3HG1 VAL 80 -14.134 3.704 -12.469 680 1HG2 VAL 80 1HG2 VAL 80 -13.812 5.345 -13.884 681 2HG2 VAL 80 2HG2 VAL 80 -15.211 5.861 -14.828 682 3HG2 VAL 80 3HG2 VAL 80 -13.921 4.937 -15.596 683 H GLY 81 H GLY 81 -14.623 0.851 -14.244 684 1HA GLY 81 2HA GLY 81 -15.870 -0.944 -13.289 685 2HA GLY 81 1HA GLY 81 -17.324 -0.300 -14.047 686 H ARG 82 H ARG 82 -16.535 -0.141 -16.700 687 HA ARG 82 HA ARG 82 -17.098 -2.609 -17.796 688 1HB ARG 82 2HB ARG 82 -15.256 -0.457 -18.866 689 2HB ARG 82 1HB ARG 82 -15.800 -1.833 -19.825 690 1HG ARG 82 2HG ARG 82 -18.034 -0.571 -18.468 691 2HG ARG 82 1HG ARG 82 -17.160 0.594 -19.463 692 1HD ARG 82 2HD ARG 82 -17.669 -0.489 -21.426 693 2HD ARG 82 1HD ARG 82 -17.691 -2.080 -20.665 694 HE ARG 82 HE ARG 82 -19.898 -0.200 -20.020 695 1HH1 ARG 82 1HH2 ARG 82 -19.229 -2.053 -22.660 696 2HH1 ARG 82 2HH2 ARG 82 -20.546 -3.163 -22.473 697 1HH2 ARG 82 2HH1 ARG 82 -21.375 -2.056 -19.293 698 2HH2 ARG 82 1HH1 ARG 82 -21.762 -3.164 -20.566 699 H VAL 83 H VAL 83 -15.510 -4.001 -19.147 700 HA VAL 83 HA VAL 83 -13.310 -4.819 -17.324 701 HB VAL 83 HB VAL 83 -14.687 -6.204 -19.640 702 1HG1 VAL 83 1HG1 VAL 83 -12.216 -6.678 -19.546 703 2HG1 VAL 83 2HG1 VAL 83 -13.223 -8.096 -19.257 704 3HG1 VAL 83 3HG1 VAL 83 -12.447 -7.275 -17.903 705 1HG2 VAL 83 1HG2 VAL 83 -15.709 -7.533 -18.023 706 2HG2 VAL 83 2HG2 VAL 83 -15.624 -5.990 -17.175 707 3HG2 VAL 83 3HG2 VAL 83 -14.435 -7.248 -16.837 708 H ILE 84 H ILE 84 -11.170 -4.755 -17.976 709 HA ILE 84 HA ILE 84 -10.605 -3.908 -20.779 710 HB ILE 84 HB ILE 84 -8.809 -2.386 -19.729 711 1HG1 ILE 84 2HG1 ILE 84 -9.410 -1.597 -17.428 712 2HG1 ILE 84 1HG1 ILE 84 -10.609 -2.886 -17.333 713 1HG2 ILE 84 1HG2 ILE 84 -10.575 -1.236 -20.744 714 2HG2 ILE 84 2HG2 ILE 84 -10.701 -0.676 -19.076 715 3HG2 ILE 84 3HG2 ILE 84 -11.782 -1.939 -19.667 716 1HD1 ILE 84 1HD1 ILE 84 -7.869 -3.713 -18.122 717 2HD1 ILE 84 2HD1 ILE 84 -9.029 -4.519 -17.066 718 3HD1 ILE 84 3HD1 ILE 84 -8.066 -3.174 -16.454 719 H LYS 85 H LYS 85 -8.213 -4.191 -21.277 720 HA LYS 85 HA LYS 85 -7.248 -6.679 -19.949 721 1HB LYS 85 2HB LYS 85 -5.828 -6.945 -21.954 722 2HB LYS 85 1HB LYS 85 -7.525 -6.776 -22.402 723 1HG LYS 85 2HG LYS 85 -7.152 -4.353 -22.815 724 2HG LYS 85 1HG LYS 85 -5.442 -4.573 -22.440 725 1HD LYS 85 2HD LYS 85 -5.476 -4.742 -24.780 726 2HD LYS 85 1HD LYS 85 -5.528 -6.431 -24.271 727 1HE LYS 85 2HE LYS 85 -8.033 -6.337 -24.432 728 2HE LYS 85 1HE LYS 85 -7.881 -4.717 -25.114 729 1HZ LYS 85 1HZ LYS 85 -6.654 -5.572 -26.945 730 2HZ LYS 85 2HZ LYS 85 -8.058 -6.516 -26.790 731 3HZ LYS 85 3HZ LYS 85 -6.562 -7.117 -26.252 732 H THR 86 H THR 86 -5.467 -6.560 -18.647 733 HA THR 86 HA THR 86 -3.572 -4.300 -19.033 734 HB THR 86 HB THR 86 -3.559 -3.923 -16.555 735 HG1 THR 86 HG1 THR 86 -4.569 -6.036 -16.176 736 1HG2 THR 86 1HG2 THR 86 -4.803 -2.237 -17.456 737 2HG2 THR 86 2HG2 THR 86 -6.134 -3.079 -16.662 738 3HG2 THR 86 3HG2 THR 86 -5.821 -3.344 -18.377 739 H ARG 87 H ARG 87 -1.647 -4.664 -17.409 740 HA ARG 87 HA ARG 87 -0.882 -7.532 -17.663 741 1HB ARG 87 2HB ARG 87 0.695 -4.970 -17.390 742 2HB ARG 87 1HB ARG 87 1.444 -6.547 -17.141 743 1HG ARG 87 2HG ARG 87 1.666 -5.680 -19.494 744 2HG ARG 87 1HG ARG 87 0.863 -7.247 -19.385 745 1HD ARG 87 2HD ARG 87 -1.240 -6.356 -19.858 746 2HD ARG 87 1HD ARG 87 -0.789 -4.740 -19.311 747 HE ARG 87 HE ARG 87 0.758 -4.814 -21.437 748 1HH1 ARG 87 2HH1 ARG 87 -2.562 -5.025 -21.126 749 2HH1 ARG 87 1HH1 ARG 87 -2.869 -5.507 -22.760 750 1HH2 ARG 87 1HH2 ARG 87 0.477 -5.988 -23.528 751 2HH2 ARG 87 2HH2 ARG 87 -1.150 -6.053 -24.120 752 H VAL 88 H VAL 88 0.365 -8.466 -15.827 753 HA VAL 88 HA VAL 88 -0.800 -7.565 -13.247 754 HB VAL 88 HB VAL 88 0.800 -10.085 -13.738 755 1HG1 VAL 88 1HG1 VAL 88 -0.784 -8.911 -11.550 756 2HG1 VAL 88 2HG1 VAL 88 0.475 -10.144 -11.491 757 3HG1 VAL 88 3HG1 VAL 88 -1.181 -10.593 -11.898 758 1HG2 VAL 88 1HG2 VAL 88 -1.022 -10.060 -15.370 759 2HG2 VAL 88 2HG2 VAL 88 -2.177 -9.616 -14.113 760 3HG2 VAL 88 3HG2 VAL 88 -1.409 -11.203 -14.083 761 H VAL 89 H VAL 89 0.471 -6.102 -12.229 762 HA VAL 89 HA VAL 89 3.272 -5.787 -12.712 763 HB VAL 89 HB VAL 89 1.442 -4.807 -10.522 764 1HG1 VAL 89 1HG1 VAL 89 3.259 -3.388 -9.738 765 2HG1 VAL 89 2HG1 VAL 89 4.335 -4.023 -10.983 766 3HG1 VAL 89 3HG1 VAL 89 3.787 -5.069 -9.674 767 1HG2 VAL 89 1HG2 VAL 89 1.696 -4.034 -13.123 768 2HG2 VAL 89 2HG2 VAL 89 2.875 -2.976 -12.349 769 3HG2 VAL 89 3HG2 VAL 89 1.190 -2.953 -11.825 770 H ARG 90 H ARG 90 1.477 -7.474 -10.137 771 HA ARG 90 HA ARG 90 3.498 -9.408 -9.691 772 1HB ARG 90 2HB ARG 90 4.227 -6.908 -8.641 773 2HB ARG 90 1HB ARG 90 3.669 -7.841 -7.253 774 1HG ARG 90 2HG ARG 90 5.500 -9.146 -9.239 775 2HG ARG 90 1HG ARG 90 6.180 -8.033 -8.051 776 1HD ARG 90 2HD ARG 90 4.527 -9.550 -6.480 777 2HD ARG 90 1HD ARG 90 5.063 -10.738 -7.670 778 HE ARG 90 HE ARG 90 7.420 -9.552 -6.950 779 1HH1 ARG 90 2HH1 ARG 90 6.097 -12.235 -5.934 780 2HH1 ARG 90 1HH1 ARG 90 6.443 -12.090 -4.243 781 1HH2 ARG 90 1HH2 ARG 90 7.291 -8.733 -4.434 782 2HH2 ARG 90 2HH2 ARG 90 7.119 -10.108 -3.393 783 H ALA 91 H ALA 91 1.894 -10.885 -9.288 784 HA ALA 91 HA ALA 91 -0.326 -10.255 -7.477 785 1HB ALA 91 1HB ALA 91 -1.184 -12.416 -8.059 786 2HB ALA 91 2HB ALA 91 0.393 -12.958 -8.632 787 3HB ALA 91 3HB ALA 91 -0.504 -11.741 -9.540 788 H ASP 92 H ASP 92 -0.176 -10.494 -5.307 789 HA ASP 92 HA ASP 92 1.288 -12.767 -4.160 790 1HB ASP 92 2HB ASP 92 2.435 -10.080 -4.275 791 2HB ASP 92 1HB ASP 92 2.294 -10.676 -2.621 792 H GLY 93 H GLY 93 -0.748 -13.338 -3.269 793 1HA GLY 93 2HA GLY 93 -1.993 -13.365 -1.195 794 2HA GLY 93 1HA GLY 93 -1.546 -11.677 -0.939 795 H LEU 94 H LEU 94 -4.093 -11.880 -0.556 796 HA LEU 94 HA LEU 94 -5.829 -12.041 -2.815 797 1HB LEU 94 2HB LEU 94 -6.024 -11.235 -0.018 798 2HB LEU 94 1HB LEU 94 -7.033 -10.233 -1.064 799 HG LEU 94 HG LEU 94 -7.760 -12.501 -2.130 800 1HD1 LEU 94 1HD1 LEU 94 -6.898 -14.362 -1.207 801 2HD1 LEU 94 2HD1 LEU 94 -7.600 -13.912 0.347 802 3HD1 LEU 94 3HD1 LEU 94 -5.973 -13.377 -0.074 803 1HD2 LEU 94 1HD2 LEU 94 -9.558 -12.710 -0.470 804 2HD2 LEU 94 2HD2 LEU 94 -9.211 -11.007 -0.767 805 3HD2 LEU 94 3HD2 LEU 94 -8.610 -11.786 0.696 806 H TYR 95 H TYR 95 -3.568 -9.639 -1.890 807 HA TYR 95 HA TYR 95 -4.912 -7.628 -3.645 808 1HB TYR 95 2HB TYR 95 -2.498 -6.858 -2.092 809 2HB TYR 95 1HB TYR 95 -3.985 -5.956 -2.378 810 HD1 TYR 95 HD1 TYR 95 -2.121 -7.417 0.129 811 HD2 TYR 95 HD2 TYR 95 -6.157 -7.324 -1.345 812 HE1 TYR 95 HE1 TYR 95 -2.953 -8.087 2.368 813 HE2 TYR 95 HE2 TYR 95 -6.990 -7.993 0.895 814 HH TYR 95 HH TYR 95 -6.322 -8.919 2.902 815 H VAL 96 H VAL 96 -4.050 -7.330 -5.639 816 HA VAL 96 HA VAL 96 -1.218 -8.202 -6.078 817 HB VAL 96 HB VAL 96 -3.616 -8.438 -7.918 818 1HG1 VAL 96 1HG1 VAL 96 -0.659 -8.692 -8.410 819 2HG1 VAL 96 2HG1 VAL 96 -1.886 -7.912 -9.407 820 3HG1 VAL 96 3HG1 VAL 96 -1.795 -9.671 -9.337 821 1HG2 VAL 96 1HG2 VAL 96 -2.818 -10.889 -7.827 822 2HG2 VAL 96 2HG2 VAL 96 -3.621 -10.255 -6.391 823 3HG2 VAL 96 3HG2 VAL 96 -1.863 -10.397 -6.429 824 H ASP 97 H ASP 97 -0.127 -7.006 -7.861 825 HA ASP 97 HA ASP 97 -1.042 -4.176 -7.906 826 1HB ASP 97 2HB ASP 97 1.603 -5.419 -8.729 827 2HB ASP 97 1HB ASP 97 1.247 -3.692 -8.725 828 H LEU 98 H LEU 98 -1.343 -3.087 -9.929 829 HA LEU 98 HA LEU 98 -1.356 -4.870 -12.325 830 1HB LEU 98 2HB LEU 98 -3.630 -3.952 -10.965 831 2HB LEU 98 1HB LEU 98 -3.498 -2.908 -12.381 832 HG LEU 98 HG LEU 98 -4.826 -5.023 -12.765 833 1HD1 LEU 98 1HD1 LEU 98 -3.285 -5.661 -14.827 834 2HD1 LEU 98 2HD1 LEU 98 -2.397 -4.223 -14.324 835 3HD1 LEU 98 3HD1 LEU 98 -4.099 -4.099 -14.763 836 1HD2 LEU 98 1HD2 LEU 98 -2.670 -6.190 -11.428 837 2HD2 LEU 98 2HD2 LEU 98 -2.433 -6.663 -13.110 838 3HD2 LEU 98 3HD2 LEU 98 -3.944 -7.052 -12.289 839 H ARG 99 H ARG 99 -0.572 -3.956 -14.160 840 HA ARG 99 HA ARG 99 -0.212 -0.991 -14.221 841 1HB ARG 99 2HB ARG 99 1.975 -1.747 -13.685 842 2HB ARG 99 1HB ARG 99 1.839 -3.147 -14.746 843 1HG ARG 99 2HG ARG 99 2.070 -1.839 -16.701 844 2HG ARG 99 1HG ARG 99 1.710 -0.339 -15.846 845 1HD ARG 99 2HD ARG 99 3.999 -0.134 -15.909 846 2HD ARG 99 1HD ARG 99 3.876 -1.112 -14.446 847 HE ARG 99 HE ARG 99 4.385 -3.101 -15.856 848 1HH1 ARG 99 1HH2 ARG 99 6.355 -0.577 -16.129 849 2HH1 ARG 99 2HH2 ARG 99 6.834 -0.814 -17.777 850 1HH2 ARG 99 2HH1 ARG 99 4.364 -3.156 -18.438 851 2HH2 ARG 99 1HH1 ARG 99 5.707 -2.273 -19.083 852 H ARG 100 H ARG 100 -1.237 -0.228 -16.012 853 HA ARG 100 HA ARG 100 -1.999 -2.065 -18.168 854 1HB ARG 100 2HB ARG 100 -3.209 0.132 -17.142 855 2HB ARG 100 1HB ARG 100 -2.370 0.863 -18.511 856 1HG ARG 100 2HG ARG 100 -3.512 -1.586 -19.418 857 2HG ARG 100 1HG ARG 100 -4.764 -0.711 -18.537 858 1HD ARG 100 2HD ARG 100 -4.255 1.319 -19.884 859 2HD ARG 100 1HD ARG 100 -3.076 0.385 -20.806 860 HE ARG 100 HE ARG 100 -5.689 -0.875 -20.813 861 1HH1 ARG 100 1HH2 ARG 100 -3.966 1.846 -22.031 862 2HH1 ARG 100 2HH2 ARG 100 -4.712 1.788 -23.593 863 1HH2 ARG 100 2HH1 ARG 100 -6.560 -1.063 -22.904 864 2HH2 ARG 100 1HH1 ARG 100 -6.179 0.143 -24.087 865 H PHE 101 H PHE 101 -1.505 -1.449 -20.480 866 HA PHE 101 HA PHE 101 1.228 -0.244 -20.666 867 1HB PHE 101 2HB PHE 101 1.044 -2.757 -21.082 868 2HB PHE 101 1HB PHE 101 0.118 -2.353 -22.528 869 HD1 PHE 101 HD1 PHE 101 3.358 -1.606 -20.806 870 HD2 PHE 101 HD2 PHE 101 1.224 -1.819 -24.530 871 HE1 PHE 101 HE1 PHE 101 5.466 -1.168 -22.039 872 HE2 PHE 101 HE2 PHE 101 3.332 -1.383 -25.764 873 HZ PHE 101 HZ PHE 101 5.454 -1.057 -24.518 874 H PHE 102 HN PHE 102 1.527 1.303 -22.254 875 HA PHE 102 HA PHE 102 -0.920 2.178 -23.693 876 1HB PHE 102 2HB PHE 102 1.012 3.596 -22.319 877 2HB PHE 102 1HB PHE 102 1.501 3.813 -23.999 878 HD1 PHE 102 HD1 PHE 102 -1.260 3.570 -25.257 879 HD2 PHE 102 HD2 PHE 102 0.159 5.794 -21.864 880 HE1 PHE 102 HE1 PHE 102 -3.085 5.221 -25.577 881 HE2 PHE 102 HE2 PHE 102 -1.667 7.445 -22.185 882 HZ PHE 102 HZ PHE 102 -3.287 7.159 -24.041 Start of MODEL 17 1 1H MET 1 1H MET 1 55.556 -12.517 -42.304 2 2H MET 1 2H MET 1 57.041 -12.580 -41.481 3 3H MET 1 3H MET 1 55.607 -13.019 -40.685 4 HA MET 1 HA MET 1 55.338 -14.933 -42.098 5 1HB MET 1 2HB MET 1 56.335 -13.959 -44.128 6 2HB MET 1 1HB MET 1 57.921 -13.953 -43.355 7 1HG MET 1 2HG MET 1 57.239 -16.547 -42.985 8 2HG MET 1 1HG MET 1 56.376 -16.221 -44.488 9 1HE MET 1 1HE MET 1 58.987 -15.091 -46.967 10 2HE MET 1 2HE MET 1 57.581 -14.435 -46.132 11 3HE MET 1 3HE MET 1 57.510 -16.054 -46.823 12 H THR 2 H THR 2 55.838 -14.975 -39.581 13 HA THR 2 HA THR 2 57.971 -16.925 -39.227 14 HB THR 2 HB THR 2 58.224 -14.201 -37.916 15 HG1 THR 2 HG1 THR 2 60.341 -14.461 -39.014 16 1HG2 THR 2 1HG2 THR 2 58.803 -16.533 -36.697 17 2HG2 THR 2 2HG2 THR 2 59.767 -15.075 -36.464 18 3HG2 THR 2 3HG2 THR 2 60.297 -16.309 -37.608 19 H VAL 3 H VAL 3 55.924 -14.592 -37.433 20 HA VAL 3 HA VAL 3 54.533 -16.783 -36.100 21 HB VAL 3 HB VAL 3 56.451 -16.817 -34.664 22 1HG1 VAL 3 1HG1 VAL 3 56.808 -14.202 -35.508 23 2HG1 VAL 3 2HG1 VAL 3 57.763 -15.015 -34.269 24 3HG1 VAL 3 3HG1 VAL 3 56.386 -14.015 -33.806 25 1HG2 VAL 3 1HG2 VAL 3 53.977 -16.386 -33.706 26 2HG2 VAL 3 2HG2 VAL 3 54.763 -14.941 -33.070 27 3HG2 VAL 3 3HG2 VAL 3 55.376 -16.539 -32.643 28 H ILE 4 H ILE 4 52.485 -16.075 -35.764 29 HA ILE 4 HA ILE 4 52.047 -13.192 -35.170 30 HB ILE 4 HB ILE 4 50.008 -13.379 -36.755 31 1HG1 ILE 4 2HG1 ILE 4 51.380 -15.181 -38.541 32 2HG1 ILE 4 1HG1 ILE 4 51.079 -15.993 -37.004 33 1HG2 ILE 4 1HG2 ILE 4 52.324 -12.199 -37.097 34 2HG2 ILE 4 2HG2 ILE 4 51.263 -12.428 -38.486 35 3HG2 ILE 4 3HG2 ILE 4 52.625 -13.517 -38.230 36 1HD1 ILE 4 1HD1 ILE 4 48.829 -14.376 -38.050 37 2HD1 ILE 4 2HD1 ILE 4 48.812 -15.961 -37.278 38 3HD1 ILE 4 3HD1 ILE 4 49.228 -15.816 -38.986 39 H LYS 5 H LYS 5 51.914 -15.837 -33.701 40 HA LYS 5 HA LYS 5 49.204 -15.405 -32.567 41 1HB LYS 5 2HB LYS 5 50.148 -17.828 -33.980 42 2HB LYS 5 1HB LYS 5 49.371 -18.124 -32.424 43 1HG LYS 5 2HG LYS 5 47.427 -16.777 -33.144 44 2HG LYS 5 1HG LYS 5 48.199 -16.509 -34.706 45 1HD LYS 5 2HD LYS 5 47.958 -18.743 -35.359 46 2HD LYS 5 1HD LYS 5 47.803 -19.313 -33.697 47 1HE LYS 5 2HE LYS 5 45.748 -17.507 -34.985 48 2HE LYS 5 1HE LYS 5 45.645 -19.265 -35.068 49 1HZ LYS 5 1HZ LYS 5 44.755 -17.669 -33.024 50 2HZ LYS 5 2HZ LYS 5 46.178 -18.372 -32.419 51 3HZ LYS 5 3HZ LYS 5 44.917 -19.357 -32.990 52 HA PRO 6 HA PRO 6 52.570 -16.004 -29.444 53 1HB PRO 6 2HB PRO 6 52.153 -13.601 -28.171 54 2HB PRO 6 1HB PRO 6 53.276 -13.811 -29.526 55 1HG PRO 6 2HG PRO 6 50.584 -12.525 -29.501 56 2HG PRO 6 1HG PRO 6 51.963 -12.224 -30.573 57 1HD PRO 6 2HD PRO 6 49.668 -13.745 -31.222 58 2HD PRO 6 1HD PRO 6 51.194 -13.719 -32.132 59 H SER 7 H SER 7 52.004 -15.099 -26.874 60 HA SER 7 HA SER 7 49.395 -16.446 -26.325 61 1HB SER 7 2HB SER 7 51.314 -17.620 -25.366 62 2HB SER 7 1HB SER 7 51.856 -16.141 -24.578 63 HG SER 7 HG SER 7 50.047 -16.188 -23.292 64 H SER 8 H SER 8 48.320 -14.342 -26.691 65 HA SER 8 HA SER 8 48.685 -12.473 -24.380 66 1HB SER 8 2HB SER 8 47.587 -11.892 -27.149 67 2HB SER 8 1HB SER 8 47.731 -10.722 -25.841 68 HG SER 8 HG SER 8 49.899 -10.796 -26.003 69 H ARG 9 H ARG 9 46.050 -12.876 -26.736 70 HA ARG 9 HA ARG 9 43.743 -13.111 -26.376 71 1HB ARG 9 2HB ARG 9 44.541 -14.911 -24.086 72 2HB ARG 9 1HB ARG 9 43.141 -15.052 -25.150 73 1HG ARG 9 2HG ARG 9 44.390 -16.496 -26.361 74 2HG ARG 9 1HG ARG 9 45.278 -15.077 -26.918 75 1HD ARG 9 2HD ARG 9 47.024 -16.346 -26.069 76 2HD ARG 9 1HD ARG 9 46.587 -15.415 -24.635 77 HE ARG 9 HE ARG 9 46.251 -18.282 -24.968 78 1HH1 ARG 9 1HH2 ARG 9 46.471 -16.097 -22.601 79 2HH1 ARG 9 2HH2 ARG 9 45.107 -16.617 -21.668 80 1HH2 ARG 9 2HH1 ARG 9 43.851 -18.674 -24.162 81 2HH2 ARG 9 1HH1 ARG 9 43.623 -18.076 -22.552 82 HA PRO 10 HA PRO 10 43.648 -10.229 -22.806 83 1HB PRO 10 2HB PRO 10 42.411 -8.207 -24.199 84 2HB PRO 10 1HB PRO 10 44.170 -8.407 -24.127 85 1HG PRO 10 2HG PRO 10 42.307 -8.992 -26.380 86 2HG PRO 10 1HG PRO 10 44.030 -8.585 -26.426 87 1HD PRO 10 2HD PRO 10 42.923 -11.181 -26.708 88 2HD PRO 10 1HD PRO 10 44.638 -10.795 -26.444 89 H ARG 11 H ARG 11 41.446 -8.872 -22.216 90 HA ARG 11 HA ARG 11 39.121 -10.608 -22.931 91 1HB ARG 11 2HB ARG 11 40.265 -10.000 -20.267 92 2HB ARG 11 1HB ARG 11 38.510 -9.864 -20.385 93 1HG ARG 11 2HG ARG 11 38.261 -12.119 -21.055 94 2HG ARG 11 1HG ARG 11 39.967 -12.270 -21.478 95 1HD ARG 11 2HD ARG 11 39.208 -13.343 -19.259 96 2HD ARG 11 1HD ARG 11 40.641 -12.318 -19.206 97 HE ARG 11 HE ARG 11 38.965 -10.475 -18.467 98 1HH1 ARG 11 1HH2 ARG 11 39.867 -12.707 -16.478 99 2HH1 ARG 11 2HH2 ARG 11 38.361 -13.013 -15.677 100 1HH2 ARG 11 2HH1 ARG 11 36.457 -11.355 -18.054 101 2HH2 ARG 11 1HH1 ARG 11 36.432 -12.248 -16.570 102 HA PRO 12 HA PRO 12 38.098 -6.157 -23.532 103 1HB PRO 12 2HB PRO 12 37.202 -6.478 -26.111 104 2HB PRO 12 1HB PRO 12 38.892 -6.133 -25.698 105 1HG PRO 12 2HG PRO 12 37.671 -8.697 -26.608 106 2HG PRO 12 1HG PRO 12 39.340 -8.127 -26.773 107 1HD PRO 12 2HD PRO 12 38.403 -10.002 -24.866 108 2HD PRO 12 1HD PRO 12 39.984 -9.192 -24.850 109 H ARG 13 H ARG 13 36.441 -9.192 -23.942 110 HA ARG 13 HA ARG 13 33.779 -7.960 -24.153 111 1HB ARG 13 2HB ARG 13 34.901 -10.518 -24.692 112 2HB ARG 13 1HB ARG 13 33.667 -10.742 -23.451 113 1HG ARG 13 2HG ARG 13 32.062 -10.526 -25.008 114 2HG ARG 13 1HG ARG 13 32.641 -8.900 -25.375 115 1HD ARG 13 2HD ARG 13 33.127 -9.750 -27.423 116 2HD ARG 13 1HD ARG 13 34.527 -10.465 -26.622 117 HE ARG 13 HE ARG 13 32.013 -12.035 -26.614 118 1HH1 ARG 13 2HH1 ARG 13 35.320 -12.229 -26.586 119 2HH1 ARG 13 1HH1 ARG 13 35.456 -13.454 -27.804 120 1HH2 ARG 13 1HH2 ARG 13 32.116 -13.285 -28.723 121 2HH2 ARG 13 2HH2 ARG 13 33.642 -14.052 -29.015 122 H LYS 14 H LYS 14 33.868 -6.735 -22.126 123 HA LYS 14 HA LYS 14 33.973 -8.306 -19.627 124 1HB LYS 14 2HB LYS 14 34.803 -5.784 -20.187 125 2HB LYS 14 1HB LYS 14 33.191 -5.444 -19.553 126 1HG LYS 14 2HG LYS 14 33.749 -6.078 -17.438 127 2HG LYS 14 1HG LYS 14 34.736 -7.427 -18.001 128 1HD LYS 14 2HD LYS 14 36.086 -5.109 -18.853 129 2HD LYS 14 1HD LYS 14 35.573 -4.773 -17.198 130 1HE LYS 14 2HE LYS 14 36.809 -6.533 -16.311 131 2HE LYS 14 1HE LYS 14 36.797 -7.439 -17.824 132 1HZ LYS 14 1HZ LYS 14 38.082 -5.098 -18.421 133 2HZ LYS 14 2HZ LYS 14 38.812 -6.612 -18.169 134 3HZ LYS 14 3HZ LYS 14 38.675 -5.508 -16.885 135 H ASN 15 H ASN 15 31.895 -9.329 -20.888 136 HA ASN 15 HA ASN 15 29.564 -8.168 -19.454 137 1HB ASN 15 2HB ASN 15 29.935 -7.918 -22.236 138 2HB ASN 15 1HB ASN 15 28.745 -9.205 -22.031 139 1HD2 ASN 15 1HD2 ASN 15 27.036 -8.572 -20.164 140 2HD2 ASN 15 2HD2 ASN 15 26.419 -6.995 -20.283 141 H LYS 16 H LYS 16 30.949 -10.359 -18.561 142 HA LYS 16 HA LYS 16 29.454 -12.740 -19.536 143 1HB LYS 16 2HB LYS 16 32.029 -12.294 -18.106 144 2HB LYS 16 1HB LYS 16 31.137 -13.759 -17.697 145 1HG LYS 16 2HG LYS 16 31.053 -13.481 -20.530 146 2HG LYS 16 1HG LYS 16 32.726 -13.241 -20.025 147 1HD LYS 16 2HD LYS 16 31.535 -15.428 -18.549 148 2HD LYS 16 1HD LYS 16 31.380 -15.699 -20.286 149 1HE LYS 16 2HE LYS 16 33.944 -15.053 -18.801 150 2HE LYS 16 1HE LYS 16 33.509 -16.613 -19.501 151 1HZ LYS 16 1HZ LYS 16 33.178 -14.937 -21.578 152 2HZ LYS 16 2HZ LYS 16 34.580 -15.853 -21.289 153 3HZ LYS 16 3HZ LYS 16 34.502 -14.231 -20.787 154 H ASN 17 H ASN 17 27.448 -12.635 -18.528 155 HA ASN 17 HA ASN 17 27.441 -13.044 -15.610 156 1HB ASN 17 2HB ASN 17 27.332 -10.551 -15.957 157 2HB ASN 17 1HB ASN 17 25.823 -10.793 -16.838 158 1HD2 ASN 17 1HD2 ASN 17 27.247 -11.900 -13.699 159 2HD2 ASN 17 2HD2 ASN 17 25.823 -11.660 -12.807 160 H ILE 18 H ILE 18 25.208 -12.286 -18.315 161 HA ILE 18 HA ILE 18 23.556 -14.611 -17.419 162 HB ILE 18 HB ILE 18 22.530 -12.269 -17.418 163 1HG1 ILE 18 2HG1 ILE 18 20.879 -13.756 -19.341 164 2HG1 ILE 18 1HG1 ILE 18 21.457 -14.750 -18.003 165 1HG2 ILE 18 1HG2 ILE 18 22.703 -12.729 -20.413 166 2HG2 ILE 18 2HG2 ILE 18 23.569 -11.486 -19.509 167 3HG2 ILE 18 3HG2 ILE 18 21.810 -11.424 -19.630 168 1HD1 ILE 18 1HD1 ILE 18 19.794 -13.867 -16.763 169 2HD1 ILE 18 2HD1 ILE 18 19.433 -12.659 -17.996 170 3HD1 ILE 18 3HD1 ILE 18 20.690 -12.348 -16.798 171 H LYS 19 H LYS 19 22.501 -15.838 -19.205 172 HA LYS 19 HA LYS 19 23.734 -15.570 -21.872 173 1HB LYS 19 2HB LYS 19 25.117 -17.122 -20.210 174 2HB LYS 19 1HB LYS 19 23.874 -18.296 -20.643 175 1HG LYS 19 2HG LYS 19 24.695 -18.560 -22.736 176 2HG LYS 19 1HG LYS 19 24.923 -16.825 -22.954 177 1HD LYS 19 2HD LYS 19 27.053 -16.852 -21.959 178 2HD LYS 19 1HD LYS 19 26.755 -18.388 -21.146 179 1HE LYS 19 2HE LYS 19 26.617 -19.442 -23.465 180 2HE LYS 19 1HE LYS 19 27.255 -17.922 -24.093 181 1HZ LYS 19 1HZ LYS 19 29.287 -18.383 -23.340 182 2HZ LYS 19 2HZ LYS 19 28.745 -19.986 -23.191 183 3HZ LYS 19 3HZ LYS 19 28.722 -18.949 -21.844 184 H VAL 20 H VAL 20 22.217 -16.072 -23.395 185 HA VAL 20 HA VAL 20 19.587 -16.975 -22.536 186 HB VAL 20 HB VAL 20 20.688 -16.577 -25.336 187 1HG1 VAL 20 1HG1 VAL 20 18.729 -17.833 -25.610 188 2HG1 VAL 20 2HG1 VAL 20 18.122 -16.179 -25.686 189 3HG1 VAL 20 3HG1 VAL 20 17.954 -17.112 -24.199 190 1HG2 VAL 20 1HG2 VAL 20 19.223 -14.432 -25.045 191 2HG2 VAL 20 2HG2 VAL 20 20.830 -14.460 -24.316 192 3HG2 VAL 20 3HG2 VAL 20 19.404 -14.744 -23.318 193 H ASN 21 H ASN 21 19.305 -19.093 -22.039 194 HA ASN 21 HA ASN 21 20.046 -21.117 -24.060 195 1HB ASN 21 2HB ASN 21 21.305 -20.865 -21.371 196 2HB ASN 21 1HB ASN 21 20.854 -22.490 -21.888 197 1HD2 ASN 21 1HD2 ASN 21 22.047 -23.452 -23.627 198 2HD2 ASN 21 2HD2 ASN 21 23.405 -22.712 -24.327 199 H THR 22 H THR 22 18.549 -22.786 -24.089 200 HA THR 22 HA THR 22 16.060 -22.442 -22.745 201 HB THR 22 HB THR 22 15.954 -25.056 -23.399 202 HG1 THR 22 HG1 THR 22 17.602 -25.637 -24.535 203 1HG2 THR 22 1HG2 THR 22 15.254 -22.574 -24.587 204 2HG2 THR 22 2HG2 THR 22 14.549 -24.159 -24.906 205 3HG2 THR 22 3HG2 THR 22 15.913 -23.591 -25.868 206 H TYR 23 H TYR 23 15.974 -22.494 -20.537 207 HA TYR 23 HA TYR 23 17.080 -24.927 -19.198 208 1HB TYR 23 2HB TYR 23 17.732 -22.130 -18.717 209 2HB TYR 23 1HB TYR 23 17.076 -22.895 -17.269 210 HD1 TYR 23 HD1 TYR 23 20.064 -22.117 -18.659 211 HD2 TYR 23 HD2 TYR 23 17.954 -25.600 -17.287 212 HE1 TYR 23 HE1 TYR 23 22.223 -23.281 -18.292 213 HE2 TYR 23 HE2 TYR 23 20.115 -26.765 -16.920 214 HH TYR 23 HH TYR 23 22.454 -26.611 -17.788 215 H ARG 24 H ARG 24 15.548 -25.980 -17.999 216 HA ARG 24 HA ARG 24 12.922 -24.629 -17.667 217 1HB ARG 24 2HB ARG 24 13.544 -27.542 -17.157 218 2HB ARG 24 1HB ARG 24 11.971 -26.807 -17.471 219 1HG ARG 24 2HG ARG 24 12.603 -26.289 -19.754 220 2HG ARG 24 1HG ARG 24 14.256 -26.831 -19.462 221 1HD ARG 24 2HD ARG 24 13.237 -29.104 -18.852 222 2HD ARG 24 1HD ARG 24 11.740 -28.501 -19.565 223 HE ARG 24 HE ARG 24 13.037 -28.222 -21.706 224 1HH1 ARG 24 2HH1 ARG 24 15.223 -29.297 -19.436 225 2HH1 ARG 24 1HH1 ARG 24 15.782 -30.661 -20.344 226 1HH2 ARG 24 1HH2 ARG 24 13.329 -30.383 -22.780 227 2HH2 ARG 24 2HH2 ARG 24 14.709 -31.278 -22.238 228 H THR 25 H THR 25 15.675 -25.075 -15.867 229 HA THR 25 HA THR 25 14.322 -25.682 -13.320 230 HB THR 25 HB THR 25 17.181 -24.761 -13.671 231 HG1 THR 25 HG1 THR 25 16.048 -26.933 -14.698 232 1HG2 THR 25 1HG2 THR 25 15.591 -26.226 -11.581 233 2HG2 THR 25 2HG2 THR 25 16.664 -24.840 -11.389 234 3HG2 THR 25 3HG2 THR 25 17.340 -26.442 -11.682 235 H SER 26 H SER 26 13.121 -23.466 -14.306 236 HA SER 26 HA SER 26 13.452 -21.524 -12.262 237 1HB SER 26 2HB SER 26 14.547 -19.701 -13.444 238 2HB SER 26 1HB SER 26 15.611 -21.104 -13.460 239 HG SER 26 HG SER 26 15.297 -19.994 -15.525 240 H ALA 27 H ALA 27 12.156 -19.505 -12.766 241 HA ALA 27 HA ALA 27 10.217 -18.489 -13.612 242 1HB ALA 27 1HB ALA 27 11.518 -19.723 -15.890 243 2HB ALA 27 2HB ALA 27 10.582 -18.230 -15.821 244 3HB ALA 27 3HB ALA 27 9.765 -19.772 -16.074 245 H MET 28 H MET 28 9.973 -20.822 -11.950 246 HA MET 28 HA MET 28 7.813 -22.425 -13.175 247 1HB MET 28 2HB MET 28 9.720 -23.259 -11.558 248 2HB MET 28 1HB MET 28 8.639 -22.665 -10.299 249 1HG MET 28 2HG MET 28 6.844 -24.094 -11.081 250 2HG MET 28 1HG MET 28 7.792 -24.588 -12.484 251 1HE MET 28 1HE MET 28 7.506 -26.562 -8.548 252 2HE MET 28 2HE MET 28 6.335 -26.072 -9.769 253 3HE MET 28 3HE MET 28 7.102 -24.853 -8.755 254 H ASP 29 H ASP 29 8.252 -19.831 -10.858 255 HA ASP 29 HA ASP 29 5.480 -20.021 -9.891 256 1HB ASP 29 2HB ASP 29 7.818 -18.958 -8.845 257 2HB ASP 29 1HB ASP 29 6.911 -17.524 -9.331 258 H LEU 30 H LEU 30 4.950 -17.195 -9.787 259 HA LEU 30 HA LEU 30 3.770 -16.844 -12.403 260 1HB LEU 30 2HB LEU 30 3.693 -15.512 -9.812 261 2HB LEU 30 1HB LEU 30 3.743 -14.349 -11.139 262 HG LEU 30 HG LEU 30 1.415 -14.976 -10.579 263 1HD1 LEU 30 1HD1 LEU 30 2.301 -14.533 -12.984 264 2HD1 LEU 30 2HD1 LEU 30 0.702 -15.255 -12.806 265 3HD1 LEU 30 3HD1 LEU 30 2.085 -16.268 -13.218 266 1HD2 LEU 30 1HD2 LEU 30 1.240 -17.574 -11.660 267 2HD2 LEU 30 2HD2 LEU 30 1.024 -17.114 -9.971 268 3HD2 LEU 30 3HD2 LEU 30 2.612 -17.616 -10.554 269 H SER 31 H SER 31 4.162 -14.396 -13.335 270 HA SER 31 HA SER 31 7.013 -13.673 -13.298 271 1HB SER 31 2HB SER 31 5.673 -14.758 -15.790 272 2HB SER 31 1HB SER 31 7.223 -13.923 -15.782 273 HG SER 31 HG SER 31 8.131 -15.588 -14.762 274 HA PRO 32 HA PRO 32 5.213 -9.763 -14.174 275 1HB PRO 32 2HB PRO 32 7.493 -8.463 -14.998 276 2HB PRO 32 1HB PRO 32 7.141 -8.844 -13.304 277 1HG PRO 32 2HG PRO 32 9.082 -10.144 -15.155 278 2HG PRO 32 1HG PRO 32 9.116 -10.038 -13.388 279 1HD PRO 32 2HD PRO 32 8.329 -12.300 -14.900 280 2HD PRO 32 1HD PRO 32 8.066 -12.062 -13.159 281 H GLY 33 H GLY 33 4.542 -8.471 -15.982 282 1HA GLY 33 2HA GLY 33 4.443 -7.840 -18.285 283 2HA GLY 33 1HA GLY 33 5.623 -9.099 -18.655 284 H SER 34 H SER 34 2.457 -9.239 -16.996 285 HA SER 34 HA SER 34 1.626 -11.244 -19.058 286 1HB SER 34 2HB SER 34 1.940 -11.636 -16.291 287 2HB SER 34 1HB SER 34 0.202 -11.500 -16.542 288 HG SER 34 HG SER 34 0.550 -13.566 -17.013 289 H VAL 35 H VAL 35 -0.235 -10.733 -20.119 290 HA VAL 35 HA VAL 35 -1.781 -8.390 -19.133 291 HB VAL 35 HB VAL 35 -2.799 -8.478 -21.447 292 1HG1 VAL 35 1HG1 VAL 35 -1.099 -6.886 -21.270 293 2HG1 VAL 35 2HG1 VAL 35 -0.487 -7.913 -22.565 294 3HG1 VAL 35 3HG1 VAL 35 0.136 -8.096 -20.926 295 1HG2 VAL 35 1HG2 VAL 35 -0.553 -10.404 -22.065 296 2HG2 VAL 35 2HG2 VAL 35 -1.920 -9.955 -23.085 297 3HG2 VAL 35 3HG2 VAL 35 -2.174 -10.974 -21.668 298 H HIS 36 H HIS 36 -3.906 -8.601 -18.490 299 HA HIS 36 HA HIS 36 -5.354 -11.114 -19.081 300 1HB HIS 36 2HB HIS 36 -4.424 -10.246 -16.369 301 2HB HIS 36 1HB HIS 36 -5.999 -11.027 -16.506 302 HD1 HIS 36 HD1 HIS 36 -5.953 -13.519 -16.491 303 HD2 HIS 36 HD2 HIS 36 -2.300 -11.927 -17.719 304 HE1 HIS 36 HE1 HIS 36 -4.387 -15.484 -16.814 305 H GLU 37 H GLU 37 -7.685 -10.909 -18.311 306 HA GLU 37 HA GLU 37 -8.573 -8.096 -18.726 307 1HB GLU 37 2HB GLU 37 -10.755 -9.084 -19.292 308 2HB GLU 37 1HB GLU 37 -9.479 -9.819 -20.263 309 1HG GLU 37 2HG GLU 37 -10.128 -11.833 -19.499 310 2HG GLU 37 1HG GLU 37 -9.620 -11.338 -17.884 311 H GLY 38 H GLY 38 -10.182 -7.185 -17.298 312 1HA GLY 38 2HA GLY 38 -11.057 -8.656 -14.940 313 2HA GLY 38 1HA GLY 38 -9.810 -7.466 -14.572 314 H ILE 39 H ILE 39 -12.095 -6.939 -13.338 315 HA ILE 39 HA ILE 39 -13.709 -5.122 -15.052 316 HB ILE 39 HB ILE 39 -14.089 -6.048 -12.184 317 1HG1 ILE 39 2HG1 ILE 39 -15.803 -6.679 -14.593 318 2HG1 ILE 39 1HG1 ILE 39 -14.426 -7.688 -14.149 319 1HG2 ILE 39 1HG2 ILE 39 -15.771 -4.551 -11.963 320 2HG2 ILE 39 2HG2 ILE 39 -16.377 -4.874 -13.587 321 3HG2 ILE 39 3HG2 ILE 39 -15.062 -3.726 -13.350 322 1HD1 ILE 39 1HD1 ILE 39 -16.916 -7.121 -12.532 323 2HD1 ILE 39 2HD1 ILE 39 -15.457 -7.791 -11.801 324 3HD1 ILE 39 3HD1 ILE 39 -16.299 -8.685 -13.067 325 H VAL 40 H VAL 40 -13.830 -2.865 -14.577 326 HA VAL 40 HA VAL 40 -11.510 -1.897 -12.980 327 HB VAL 40 HB VAL 40 -13.311 -0.421 -14.924 328 1HG1 VAL 40 1HG1 VAL 40 -12.301 1.045 -13.214 329 2HG1 VAL 40 2HG1 VAL 40 -11.580 1.335 -14.797 330 3HG1 VAL 40 3HG1 VAL 40 -10.708 0.389 -13.590 331 1HG2 VAL 40 1HG2 VAL 40 -11.772 -2.269 -15.823 332 2HG2 VAL 40 2HG2 VAL 40 -10.426 -1.253 -15.303 333 3HG2 VAL 40 3HG2 VAL 40 -11.556 -0.664 -16.523 334 H TYR 41 H TYR 41 -11.765 -0.646 -11.158 335 HA TYR 41 HA TYR 41 -14.572 0.062 -10.399 336 1HB TYR 41 2HB TYR 41 -13.163 -1.809 -9.083 337 2HB TYR 41 1HB TYR 41 -12.543 -0.379 -8.259 338 HD1 TYR 41 HD1 TYR 41 -13.715 0.370 -6.388 339 HD2 TYR 41 HD2 TYR 41 -15.826 -1.734 -9.486 340 HE1 TYR 41 HE1 TYR 41 -15.806 0.510 -5.059 341 HE2 TYR 41 HE2 TYR 41 -17.917 -1.592 -8.157 342 HH TYR 41 HH TYR 41 -17.987 -0.824 -4.916 343 H PHE 42 H PHE 42 -14.769 2.042 -9.143 344 HA PHE 42 HA PHE 42 -12.442 3.870 -9.568 345 1HB PHE 42 2HB PHE 42 -13.962 5.660 -9.899 346 2HB PHE 42 1HB PHE 42 -14.676 4.311 -10.780 347 HD1 PHE 42 HD1 PHE 42 -16.409 2.849 -9.509 348 HD2 PHE 42 HD2 PHE 42 -15.192 6.768 -8.230 349 HE1 PHE 42 HE1 PHE 42 -18.460 3.034 -8.125 350 HE2 PHE 42 HE2 PHE 42 -17.244 6.953 -6.847 351 HZ PHE 42 HZ PHE 42 -18.877 5.086 -6.795 352 H LYS 43 H LYS 43 -11.461 4.572 -7.737 353 HA LYS 43 HA LYS 43 -12.845 5.451 -5.401 354 1HB LYS 43 2HB LYS 43 -12.805 2.686 -5.543 355 2HB LYS 43 1HB LYS 43 -11.413 3.049 -4.521 356 1HG LYS 43 2HG LYS 43 -12.987 4.628 -3.235 357 2HG LYS 43 1HG LYS 43 -14.303 3.812 -4.081 358 1HD LYS 43 2HD LYS 43 -12.262 2.065 -2.805 359 2HD LYS 43 1HD LYS 43 -13.340 2.941 -1.718 360 1HE LYS 43 2HE LYS 43 -14.608 1.616 -4.060 361 2HE LYS 43 1HE LYS 43 -13.996 0.556 -2.790 362 1HZ LYS 43 1HZ LYS 43 -16.037 2.681 -2.589 363 2HZ LYS 43 2HZ LYS 43 -15.216 2.115 -1.213 364 3HZ LYS 43 3HZ LYS 43 -16.159 1.050 -2.142 365 H ASP 44 H ASP 44 -11.425 6.641 -4.161 366 HA ASP 44 HA ASP 44 -9.364 7.432 -3.327 367 1HB ASP 44 2HB ASP 44 -8.817 4.876 -3.406 368 2HB ASP 44 1HB ASP 44 -7.919 5.288 -4.867 369 H GLY 45 H GLY 45 -10.464 7.479 -6.372 370 1HA GLY 45 2HA GLY 45 -9.956 9.183 -7.982 371 2HA GLY 45 1HA GLY 45 -8.380 9.400 -7.217 372 H ILE 46 H ILE 46 -7.955 6.432 -7.195 373 HA ILE 46 HA ILE 46 -6.954 6.236 -9.976 374 HB ILE 46 HB ILE 46 -5.686 4.284 -9.112 375 1HG1 ILE 46 2HG1 ILE 46 -6.355 4.834 -6.300 376 2HG1 ILE 46 1HG1 ILE 46 -7.697 4.159 -7.224 377 1HG2 ILE 46 1HG2 ILE 46 -5.339 6.459 -7.071 378 2HG2 ILE 46 2HG2 ILE 46 -5.042 6.814 -8.773 379 3HG2 ILE 46 3HG2 ILE 46 -4.110 5.557 -7.958 380 1HD1 ILE 46 1HD1 ILE 46 -6.751 2.128 -7.016 381 2HD1 ILE 46 2HD1 ILE 46 -5.328 2.830 -6.246 382 3HD1 ILE 46 3HD1 ILE 46 -5.406 2.702 -8.003 383 H PHE 47 H PHE 47 -6.956 3.323 -10.036 384 HA PHE 47 HA PHE 47 -9.899 2.808 -10.164 385 1HB PHE 47 2HB PHE 47 -7.763 2.101 -12.189 386 2HB PHE 47 1HB PHE 47 -9.383 1.405 -12.206 387 HD1 PHE 47 HD1 PHE 47 -11.387 3.030 -12.256 388 HD2 PHE 47 HD2 PHE 47 -7.355 4.209 -13.166 389 HE1 PHE 47 HE1 PHE 47 -12.240 5.046 -13.424 390 HE2 PHE 47 HE2 PHE 47 -8.209 6.225 -14.335 391 HZ PHE 47 HZ PHE 47 -10.651 6.643 -14.463 392 H LYS 48 H LYS 48 -10.272 0.325 -10.368 393 HA LYS 48 HA LYS 48 -8.212 -1.169 -8.814 394 1HB LYS 48 2HB LYS 48 -10.330 -0.191 -7.514 395 2HB LYS 48 1HB LYS 48 -11.096 -1.635 -8.178 396 1HG LYS 48 2HG LYS 48 -9.970 -3.005 -6.773 397 2HG LYS 48 1HG LYS 48 -8.441 -2.173 -7.062 398 1HD LYS 48 2HD LYS 48 -9.701 -0.273 -5.619 399 2HD LYS 48 1HD LYS 48 -10.480 -1.706 -4.947 400 1HE LYS 48 2HE LYS 48 -8.232 -2.694 -4.529 401 2HE LYS 48 1HE LYS 48 -7.494 -1.203 -5.111 402 1HZ LYS 48 1HZ LYS 48 -8.880 -0.049 -3.371 403 2HZ LYS 48 2HZ LYS 48 -7.601 -1.005 -2.791 404 3HZ LYS 48 3HZ LYS 48 -9.197 -1.583 -2.720 405 H VAL 49 H VAL 49 -7.775 -3.073 -9.816 406 HA VAL 49 HA VAL 49 -9.694 -4.041 -11.870 407 HB VAL 49 HB VAL 49 -6.817 -4.815 -11.281 408 1HG1 VAL 49 1HG1 VAL 49 -8.240 -6.673 -12.203 409 2HG1 VAL 49 2HG1 VAL 49 -6.936 -6.182 -13.283 410 3HG1 VAL 49 3HG1 VAL 49 -8.588 -5.651 -13.597 411 1HG2 VAL 49 1HG2 VAL 49 -7.928 -2.619 -12.671 412 2HG2 VAL 49 2HG2 VAL 49 -7.378 -3.745 -13.912 413 3HG2 VAL 49 3HG2 VAL 49 -6.246 -3.153 -12.695 414 H ARG 50 H ARG 50 -11.206 -5.347 -10.901 415 HA ARG 50 HA ARG 50 -10.268 -7.267 -8.825 416 1HB ARG 50 2HB ARG 50 -12.709 -7.598 -8.381 417 2HB ARG 50 1HB ARG 50 -12.190 -5.927 -8.163 418 1HG ARG 50 2HG ARG 50 -12.995 -5.384 -10.438 419 2HG ARG 50 1HG ARG 50 -13.532 -7.051 -10.640 420 1HD ARG 50 2HD ARG 50 -14.484 -5.363 -8.327 421 2HD ARG 50 1HD ARG 50 -15.298 -5.324 -9.890 422 HE ARG 50 HE ARG 50 -16.101 -7.524 -9.484 423 1HH1 ARG 50 2HH1 ARG 50 -15.363 -6.235 -6.606 424 2HH1 ARG 50 1HH1 ARG 50 -14.888 -7.697 -5.808 425 1HH2 ARG 50 1HH2 ARG 50 -14.778 -9.565 -8.729 426 2HH2 ARG 50 2HH2 ARG 50 -14.553 -9.583 -7.012 427 H LEU 51 H LEU 51 -10.073 -9.395 -9.319 428 HA LEU 51 HA LEU 51 -10.749 -10.287 -12.037 429 1HB LEU 51 2HB LEU 51 -9.193 -11.374 -9.730 430 2HB LEU 51 1HB LEU 51 -9.853 -12.531 -10.887 431 HG LEU 51 HG LEU 51 -7.511 -11.673 -11.410 432 1HD1 LEU 51 1HD1 LEU 51 -8.753 -10.814 -13.813 433 2HD1 LEU 51 2HD1 LEU 51 -9.807 -12.040 -13.110 434 3HD1 LEU 51 3HD1 LEU 51 -8.118 -12.418 -13.446 435 1HD2 LEU 51 1HD2 LEU 51 -7.240 -9.444 -12.205 436 2HD2 LEU 51 2HD2 LEU 51 -8.184 -9.287 -10.725 437 3HD2 LEU 51 3HD2 LEU 51 -8.982 -9.182 -12.294 438 H LEU 52 H LEU 52 -13.089 -10.171 -11.892 439 HA LEU 52 HA LEU 52 -14.621 -11.519 -9.890 440 1HB LEU 52 2HB LEU 52 -15.514 -9.821 -11.519 441 2HB LEU 52 1HB LEU 52 -15.413 -11.051 -12.779 442 HG LEU 52 HG LEU 52 -16.756 -12.062 -10.401 443 1HD1 LEU 52 1HD1 LEU 52 -17.430 -9.371 -11.315 444 2HD1 LEU 52 2HD1 LEU 52 -17.988 -10.240 -9.885 445 3HD1 LEU 52 3HD1 LEU 52 -18.800 -10.475 -11.434 446 1HD2 LEU 52 1HD2 LEU 52 -16.858 -13.162 -12.573 447 2HD2 LEU 52 2HD2 LEU 52 -17.524 -11.708 -13.315 448 3HD2 LEU 52 3HD2 LEU 52 -18.479 -12.613 -12.141 449 H GLY 53 H GLY 53 -15.602 -13.601 -9.937 450 1HA GLY 53 2HA GLY 53 -16.016 -15.763 -10.971 451 2HA GLY 53 1HA GLY 53 -14.660 -15.464 -12.060 452 H TYR 54 H TYR 54 -12.565 -14.886 -10.512 453 HA TYR 54 HA TYR 54 -11.982 -17.418 -9.207 454 1HB TYR 54 2HB TYR 54 -10.474 -15.324 -10.318 455 2HB TYR 54 1HB TYR 54 -10.084 -15.304 -8.598 456 HD1 TYR 54 HD1 TYR 54 -11.059 -18.202 -10.748 457 HD2 TYR 54 HD2 TYR 54 -7.944 -16.303 -8.475 458 HE1 TYR 54 HE1 TYR 54 -9.618 -20.198 -11.053 459 HE2 TYR 54 HE2 TYR 54 -6.504 -18.299 -8.781 460 HH TYR 54 HH TYR 54 -6.251 -20.198 -10.096 461 H GLU 55 H GLU 55 -12.994 -14.233 -8.163 462 HA GLU 55 HA GLU 55 -13.405 -13.371 -6.012 463 1HB GLU 55 2HB GLU 55 -13.956 -16.247 -5.263 464 2HB GLU 55 1HB GLU 55 -14.727 -14.789 -4.635 465 1HG GLU 55 2HG GLU 55 -15.762 -14.360 -6.809 466 2HG GLU 55 1HG GLU 55 -14.939 -15.758 -7.501 467 H GLY 56 H GLY 56 -11.338 -12.742 -5.324 468 1HA GLY 56 2HA GLY 56 -10.144 -13.340 -3.062 469 2HA GLY 56 1HA GLY 56 -9.672 -14.790 -3.949 470 H HIS 57 H HIS 57 -9.649 -12.932 -6.442 471 HA HIS 57 HA HIS 57 -6.840 -12.044 -6.018 472 1HB HIS 57 2HB HIS 57 -8.394 -13.072 -8.304 473 2HB HIS 57 1HB HIS 57 -7.344 -11.710 -8.696 474 HD1 HIS 57 HD1 HIS 57 -6.554 -14.389 -9.855 475 HD2 HIS 57 HD2 HIS 57 -5.259 -13.111 -6.105 476 HE1 HIS 57 HE1 HIS 57 -4.453 -15.703 -9.337 477 H GLU 58 H GLU 58 -7.209 -10.023 -4.999 478 HA GLU 58 HA GLU 58 -8.838 -8.048 -6.526 479 1HB GLU 58 2HB GLU 58 -9.306 -8.339 -4.083 480 2HB GLU 58 1HB GLU 58 -7.660 -7.800 -3.741 481 1HG GLU 58 2HG GLU 58 -8.191 -5.630 -4.086 482 2HG GLU 58 1HG GLU 58 -9.075 -6.003 -5.566 483 H CYS 59 H CYS 59 -7.586 -7.028 -8.028 484 HA CYS 59 HA CYS 59 -4.789 -6.319 -7.266 485 1HB CYS 59 2HB CYS 59 -5.892 -6.119 -10.060 486 2HB CYS 59 1HB CYS 59 -4.225 -6.367 -9.544 487 HG CYS 59 HG CYS 59 -5.070 -8.810 -8.701 488 H ILE 60 H ILE 60 -4.101 -4.159 -7.460 489 HA ILE 60 HA ILE 60 -6.311 -2.170 -7.600 490 HB ILE 60 HB ILE 60 -4.645 -0.618 -6.581 491 1HG1 ILE 60 2HG1 ILE 60 -2.891 -3.096 -6.507 492 2HG1 ILE 60 1HG1 ILE 60 -2.629 -1.701 -7.555 493 1HG2 ILE 60 1HG2 ILE 60 -4.274 -2.497 -4.551 494 2HG2 ILE 60 2HG2 ILE 60 -5.720 -3.055 -5.391 495 3HG2 ILE 60 3HG2 ILE 60 -5.658 -1.421 -4.730 496 1HD1 ILE 60 1HD1 ILE 60 -1.415 -0.806 -5.876 497 2HD1 ILE 60 2HD1 ILE 60 -1.961 -2.039 -4.740 498 3HD1 ILE 60 3HD1 ILE 60 -2.936 -0.596 -5.009 499 H LEU 61 H LEU 61 -6.377 -0.665 -9.247 500 HA LEU 61 HA LEU 61 -4.334 -0.980 -11.382 501 1HB LEU 61 2HB LEU 61 -6.703 -1.200 -12.031 502 2HB LEU 61 1HB LEU 61 -7.021 0.424 -11.423 503 HG LEU 61 HG LEU 61 -5.190 1.223 -13.028 504 1HD1 LEU 61 1HD1 LEU 61 -4.109 -0.280 -14.309 505 2HD1 LEU 61 2HD1 LEU 61 -5.632 -0.963 -14.877 506 3HD1 LEU 61 3HD1 LEU 61 -4.902 -1.556 -13.385 507 1HD2 LEU 61 1HD2 LEU 61 -7.950 0.396 -13.557 508 2HD2 LEU 61 2HD2 LEU 61 -6.972 0.464 -15.024 509 3HD2 LEU 61 3HD2 LEU 61 -7.124 1.892 -14.000 510 H LEU 62 H LEU 62 -2.639 0.373 -11.080 511 HA LEU 62 HA LEU 62 -3.169 3.157 -10.147 512 1HB LEU 62 2HB LEU 62 -0.406 2.058 -10.512 513 2HB LEU 62 1HB LEU 62 -0.998 3.217 -9.324 514 HG LEU 62 HG LEU 62 -1.873 0.323 -9.312 515 1HD1 LEU 62 1HD1 LEU 62 -0.039 -0.312 -8.091 516 2HD1 LEU 62 2HD1 LEU 62 0.164 1.285 -7.372 517 3HD1 LEU 62 3HD1 LEU 62 0.725 0.981 -9.015 518 1HD2 LEU 62 1HD2 LEU 62 -1.928 1.231 -6.750 519 2HD2 LEU 62 2HD2 LEU 62 -3.304 1.350 -7.847 520 3HD2 LEU 62 3HD2 LEU 62 -2.236 2.734 -7.619 521 H ASP 63 H ASP 63 -3.066 1.568 -12.986 522 HA ASP 63 HA ASP 63 -2.611 2.224 -15.192 523 1HB ASP 63 2HB ASP 63 -2.286 5.031 -14.116 524 2HB ASP 63 1HB ASP 63 -2.883 4.529 -15.699 525 H TYR 64 H TYR 64 -0.440 1.376 -13.494 526 HA TYR 64 HA TYR 64 1.901 1.247 -13.644 527 1HB TYR 64 2HB TYR 64 1.351 1.601 -16.136 528 2HB TYR 64 1HB TYR 64 1.752 3.297 -15.862 529 HD1 TYR 64 HD1 TYR 64 3.817 3.620 -16.954 530 HD2 TYR 64 HD2 TYR 64 3.283 0.227 -14.370 531 HE1 TYR 64 HE1 TYR 64 6.232 3.084 -17.157 532 HE2 TYR 64 HE2 TYR 64 5.697 -0.308 -14.574 533 HH TYR 64 HH TYR 64 7.958 1.871 -15.893 534 H LEU 65 H LEU 65 0.419 3.290 -12.042 535 HA LEU 65 HA LEU 65 1.498 5.842 -12.004 536 1HB LEU 65 2HB LEU 65 -0.102 4.563 -10.313 537 2HB LEU 65 1HB LEU 65 1.393 4.373 -9.397 538 HG LEU 65 HG LEU 65 1.531 7.012 -10.123 539 1HD1 LEU 65 1HD1 LEU 65 -1.358 6.494 -9.378 540 2HD1 LEU 65 2HD1 LEU 65 -0.829 6.749 -11.041 541 3HD1 LEU 65 3HD1 LEU 65 -0.625 8.029 -9.845 542 1HD2 LEU 65 1HD2 LEU 65 0.113 6.935 -7.674 543 2HD2 LEU 65 2HD2 LEU 65 1.862 6.983 -7.892 544 3HD2 LEU 65 3HD2 LEU 65 1.034 5.432 -7.755 545 H ASN 66 H ASN 66 2.877 3.342 -9.849 546 HA ASN 66 HA ASN 66 5.094 3.000 -9.168 547 1HB ASN 66 2HB ASN 66 5.229 3.653 -12.059 548 2HB ASN 66 1HB ASN 66 6.742 3.812 -11.166 549 1HD2 ASN 66 1HD2 ASN 66 6.429 1.743 -13.107 550 2HD2 ASN 66 2HD2 ASN 66 6.393 0.247 -12.304 551 H TYR 67 H TYR 67 6.144 5.657 -11.201 552 HA TYR 67 HA TYR 67 6.040 7.582 -8.975 553 1HB TYR 67 2HB TYR 67 8.627 6.416 -10.023 554 2HB TYR 67 1HB TYR 67 8.562 7.969 -9.192 555 HD1 TYR 67 HD1 TYR 67 7.218 7.959 -6.903 556 HD2 TYR 67 HD2 TYR 67 8.933 4.479 -8.752 557 HE1 TYR 67 HE1 TYR 67 7.210 6.791 -4.712 558 HE2 TYR 67 HE2 TYR 67 8.925 3.312 -6.563 559 HH TYR 67 HH TYR 67 7.270 4.587 -3.804 560 H ARG 68 H ARG 68 5.065 7.348 -11.800 561 HA ARG 68 HA ARG 68 6.340 9.856 -12.816 562 1HB ARG 68 2HB ARG 68 6.926 7.703 -14.108 563 2HB ARG 68 1HB ARG 68 5.242 7.709 -14.636 564 1HG ARG 68 2HG ARG 68 5.490 9.667 -15.870 565 2HG ARG 68 1HG ARG 68 6.858 10.223 -14.905 566 1HD ARG 68 2HD ARG 68 7.946 7.978 -15.911 567 2HD ARG 68 1HD ARG 68 6.807 8.337 -17.209 568 HE ARG 68 HE ARG 68 9.032 10.123 -16.344 569 1HH1 ARG 68 1HH2 ARG 68 6.629 11.563 -17.464 570 2HH1 ARG 68 2HH2 ARG 68 7.024 11.652 -19.147 571 1HH2 ARG 68 2HH1 ARG 68 9.499 9.229 -18.966 572 2HH2 ARG 68 1HH1 ARG 68 8.651 10.331 -19.998 573 H GLN 69 H GLN 69 4.854 11.127 -14.228 574 HA GLN 69 HA GLN 69 2.209 11.282 -13.042 575 1HB GLN 69 2HB GLN 69 3.698 13.182 -14.054 576 2HB GLN 69 1HB GLN 69 2.979 12.688 -15.587 577 1HG GLN 69 2HG GLN 69 1.657 14.493 -14.570 578 2HG GLN 69 1HG GLN 69 0.721 12.999 -14.616 579 1HE2 GLN 69 1HE2 GLN 69 -0.243 12.437 -12.660 580 2HE2 GLN 69 2HE2 GLN 69 0.274 12.963 -11.132 581 H ASP 70 H ASP 70 0.195 11.204 -14.357 582 HA ASP 70 HA ASP 70 0.287 9.698 -16.877 583 1HB ASP 70 2HB ASP 70 -1.021 7.810 -16.076 584 2HB ASP 70 1HB ASP 70 0.440 7.939 -15.097 585 H THR 71 H THR 71 -1.809 9.700 -17.938 586 HA THR 71 HA THR 71 -3.914 11.323 -16.603 587 HB THR 71 HB THR 71 -3.019 11.859 -19.446 588 HG1 THR 71 HG1 THR 71 -1.730 13.377 -18.690 589 1HG2 THR 71 1HG2 THR 71 -4.460 13.839 -17.766 590 2HG2 THR 71 2HG2 THR 71 -5.385 12.428 -18.279 591 3HG2 THR 71 3HG2 THR 71 -4.637 13.477 -19.483 592 H LEU 72 H LEU 72 -5.359 9.605 -16.504 593 HA LEU 72 HA LEU 72 -6.628 8.838 -19.026 594 1HB LEU 72 2HB LEU 72 -4.592 7.252 -18.560 595 2HB LEU 72 1HB LEU 72 -5.652 6.549 -17.338 596 HG LEU 72 HG LEU 72 -7.310 6.792 -19.549 597 1HD1 LEU 72 1HD1 LEU 72 -4.842 5.460 -20.601 598 2HD1 LEU 72 2HD1 LEU 72 -4.954 7.216 -20.700 599 3HD1 LEU 72 3HD1 LEU 72 -6.171 6.210 -21.484 600 1HD2 LEU 72 1HD2 LEU 72 -7.648 4.665 -18.890 601 2HD2 LEU 72 2HD2 LEU 72 -6.222 4.778 -17.860 602 3HD2 LEU 72 3HD2 LEU 72 -6.067 4.199 -19.518 603 H ASP 73 H ASP 73 -7.254 10.130 -16.398 604 HA ASP 73 HA ASP 73 -8.942 8.277 -14.928 605 1HB ASP 73 2HB ASP 73 -8.711 11.298 -14.929 606 2HB ASP 73 1HB ASP 73 -9.802 10.414 -13.862 607 H ARG 74 H ARG 74 -9.301 10.125 -17.804 608 HA ARG 74 HA ARG 74 -12.030 10.767 -17.853 609 1HB ARG 74 2HB ARG 74 -10.382 11.282 -19.671 610 2HB ARG 74 1HB ARG 74 -10.456 9.590 -20.163 611 1HG ARG 74 2HG ARG 74 -12.387 9.924 -21.274 612 2HG ARG 74 1HG ARG 74 -13.124 10.694 -19.868 613 1HD ARG 74 2HD ARG 74 -12.046 12.823 -20.441 614 2HD ARG 74 1HD ARG 74 -11.249 12.064 -21.819 615 HE ARG 74 HE ARG 74 -14.211 11.977 -21.755 616 1HH1 ARG 74 1HH2 ARG 74 -12.107 11.603 -24.058 617 2HH1 ARG 74 2HH2 ARG 74 -12.454 13.020 -24.993 618 1HH2 ARG 74 2HH1 ARG 74 -14.307 14.542 -22.488 619 2HH2 ARG 74 1HH1 ARG 74 -13.699 14.684 -24.104 620 H LEU 75 H LEU 75 -10.473 7.624 -18.322 621 HA LEU 75 HA LEU 75 -12.541 6.084 -19.351 622 1HB LEU 75 2HB LEU 75 -10.139 5.581 -17.944 623 2HB LEU 75 1HB LEU 75 -11.401 4.680 -17.101 624 HG LEU 75 HG LEU 75 -10.386 3.348 -18.934 625 1HD1 LEU 75 1HD1 LEU 75 -12.933 3.374 -18.243 626 2HD1 LEU 75 2HD1 LEU 75 -12.415 2.462 -19.661 627 3HD1 LEU 75 3HD1 LEU 75 -13.155 4.052 -19.855 628 1HD2 LEU 75 1HD2 LEU 75 -10.973 5.842 -20.399 629 2HD2 LEU 75 2HD2 LEU 75 -11.436 4.372 -21.257 630 3HD2 LEU 75 3HD2 LEU 75 -9.767 4.598 -20.733 631 H LYS 76 H LYS 76 -12.117 7.045 -15.939 632 HA LYS 76 HA LYS 76 -14.189 5.704 -14.702 633 1HB LYS 76 2HB LYS 76 -12.594 7.760 -13.954 634 2HB LYS 76 1HB LYS 76 -14.124 8.619 -14.129 635 1HG LYS 76 2HG LYS 76 -13.964 6.019 -12.607 636 2HG LYS 76 1HG LYS 76 -13.602 7.558 -11.823 637 1HD LYS 76 2HD LYS 76 -16.165 7.035 -13.348 638 2HD LYS 76 1HD LYS 76 -16.010 6.805 -11.607 639 1HE LYS 76 2HE LYS 76 -15.191 9.210 -11.481 640 2HE LYS 76 1HE LYS 76 -15.694 9.381 -13.163 641 1HZ LYS 76 1HZ LYS 76 -17.688 8.176 -11.477 642 2HZ LYS 76 2HZ LYS 76 -17.834 9.450 -12.591 643 3HZ LYS 76 3HZ LYS 76 -17.288 9.757 -11.012 644 H GLU 77 H GLU 77 -14.691 8.996 -16.021 645 HA GLU 77 HA GLU 77 -17.520 8.885 -15.964 646 1HB GLU 77 2HB GLU 77 -15.574 10.477 -17.635 647 2HB GLU 77 1HB GLU 77 -17.318 10.670 -17.814 648 1HG GLU 77 2HG GLU 77 -15.992 10.836 -15.108 649 2HG GLU 77 1HG GLU 77 -16.120 12.248 -16.157 650 H ARG 78 H ARG 78 -15.235 7.674 -18.349 651 HA ARG 78 HA ARG 78 -16.953 7.331 -20.559 652 1HB ARG 78 2HB ARG 78 -14.377 6.372 -19.738 653 2HB ARG 78 1HB ARG 78 -15.307 5.016 -20.378 654 1HG ARG 78 2HG ARG 78 -15.578 7.481 -21.959 655 2HG ARG 78 1HG ARG 78 -13.933 6.845 -21.914 656 1HD ARG 78 2HD ARG 78 -15.113 4.543 -22.386 657 2HD ARG 78 1HD ARG 78 -16.431 5.556 -22.975 658 HE ARG 78 HE ARG 78 -13.651 5.714 -24.075 659 1HH1 ARG 78 2HH1 ARG 78 -16.482 7.333 -24.382 660 2HH1 ARG 78 1HH1 ARG 78 -16.757 6.974 -26.054 661 1HH2 ARG 78 1HH2 ARG 78 -14.257 4.578 -26.224 662 2HH2 ARG 78 2HH2 ARG 78 -15.498 5.414 -27.096 663 H LEU 79 H LEU 79 -16.221 4.905 -18.020 664 HA LEU 79 HA LEU 79 -18.873 4.095 -17.548 665 1HB LEU 79 2HB LEU 79 -17.753 3.083 -20.064 666 2HB LEU 79 1HB LEU 79 -18.322 1.799 -18.996 667 HG LEU 79 HG LEU 79 -20.087 4.179 -19.291 668 1HD1 LEU 79 1HD1 LEU 79 -19.218 3.598 -21.616 669 2HD1 LEU 79 2HD1 LEU 79 -20.967 3.499 -21.414 670 3HD1 LEU 79 3HD1 LEU 79 -19.996 2.027 -21.418 671 1HD2 LEU 79 1HD2 LEU 79 -21.490 1.788 -19.647 672 2HD2 LEU 79 2HD2 LEU 79 -21.334 2.686 -18.137 673 3HD2 LEU 79 3HD2 LEU 79 -20.215 1.372 -18.502 674 H VAL 80 H VAL 80 -17.012 4.294 -15.735 675 HA VAL 80 HA VAL 80 -15.103 2.365 -15.223 676 HB VAL 80 HB VAL 80 -15.332 4.007 -13.563 677 1HG1 VAL 80 1HG1 VAL 80 -18.164 3.587 -14.053 678 2HG1 VAL 80 2HG1 VAL 80 -17.348 4.998 -13.379 679 3HG1 VAL 80 3HG1 VAL 80 -17.823 3.666 -12.325 680 1HG2 VAL 80 1HG2 VAL 80 -16.588 1.508 -12.391 681 2HG2 VAL 80 2HG2 VAL 80 -15.815 2.794 -11.466 682 3HG2 VAL 80 3HG2 VAL 80 -14.858 1.803 -12.567 683 H GLY 81 H GLY 81 -15.263 0.413 -13.776 684 1HA GLY 81 2HA GLY 81 -16.375 -1.594 -13.077 685 2HA GLY 81 1HA GLY 81 -17.848 -1.007 -13.845 686 H ARG 82 H ARG 82 -17.024 -0.485 -16.405 687 HA ARG 82 HA ARG 82 -17.304 -2.774 -17.853 688 1HB ARG 82 2HB ARG 82 -16.477 -0.178 -18.436 689 2HB ARG 82 1HB ARG 82 -15.168 -1.190 -19.051 690 1HG ARG 82 2HG ARG 82 -17.749 -2.355 -19.680 691 2HG ARG 82 1HG ARG 82 -17.640 -0.705 -20.294 692 1HD ARG 82 2HD ARG 82 -15.382 -2.659 -20.704 693 2HD ARG 82 1HD ARG 82 -16.759 -2.621 -21.806 694 HE ARG 82 HE ARG 82 -15.626 0.020 -21.384 695 1HH1 ARG 82 1HH2 ARG 82 -15.033 -3.013 -22.899 696 2HH1 ARG 82 2HH2 ARG 82 -14.342 -2.317 -24.326 697 1HH2 ARG 82 2HH1 ARG 82 -14.872 0.955 -23.308 698 2HH2 ARG 82 1HH1 ARG 82 -14.252 -0.071 -24.560 699 H VAL 83 H VAL 83 -15.756 -4.170 -19.038 700 HA VAL 83 HA VAL 83 -13.505 -4.940 -17.257 701 HB VAL 83 HB VAL 83 -14.760 -6.380 -19.616 702 1HG1 VAL 83 1HG1 VAL 83 -13.193 -8.022 -19.382 703 2HG1 VAL 83 2HG1 VAL 83 -13.112 -7.830 -17.631 704 3HG1 VAL 83 3HG1 VAL 83 -12.223 -6.726 -18.680 705 1HG2 VAL 83 1HG2 VAL 83 -16.281 -7.161 -18.149 706 2HG2 VAL 83 2HG2 VAL 83 -15.634 -6.056 -16.937 707 3HG2 VAL 83 3HG2 VAL 83 -14.999 -7.696 -17.062 708 H ILE 84 H ILE 84 -11.394 -4.759 -17.921 709 HA ILE 84 HA ILE 84 -10.875 -4.023 -20.760 710 HB ILE 84 HB ILE 84 -9.214 -2.305 -19.821 711 1HG1 ILE 84 2HG1 ILE 84 -9.912 -1.446 -17.543 712 2HG1 ILE 84 1HG1 ILE 84 -10.896 -2.898 -17.368 713 1HG2 ILE 84 1HG2 ILE 84 -10.807 -0.806 -20.383 714 2HG2 ILE 84 2HG2 ILE 84 -11.767 -1.215 -18.961 715 3HG2 ILE 84 3HG2 ILE 84 -11.950 -2.148 -20.447 716 1HD1 ILE 84 1HD1 ILE 84 -9.089 -4.233 -17.012 717 2HD1 ILE 84 2HD1 ILE 84 -8.282 -2.722 -16.590 718 3HD1 ILE 84 3HD1 ILE 84 -8.110 -3.391 -18.213 719 H LYS 85 H LYS 85 -8.354 -3.969 -21.063 720 HA LYS 85 HA LYS 85 -7.269 -6.393 -19.699 721 1HB LYS 85 2HB LYS 85 -5.702 -6.464 -21.680 722 2HB LYS 85 1HB LYS 85 -7.402 -6.682 -22.099 723 1HG LYS 85 2HG LYS 85 -7.557 -4.630 -23.131 724 2HG LYS 85 1HG LYS 85 -6.354 -3.890 -22.074 725 1HD LYS 85 2HD LYS 85 -5.073 -5.969 -23.565 726 2HD LYS 85 1HD LYS 85 -5.969 -4.953 -24.693 727 1HE LYS 85 2HE LYS 85 -4.609 -3.165 -24.354 728 2HE LYS 85 1HE LYS 85 -4.510 -3.455 -22.617 729 1HZ LYS 85 1HZ LYS 85 -3.141 -5.533 -23.520 730 2HZ LYS 85 2HZ LYS 85 -2.417 -4.039 -23.158 731 3HZ LYS 85 3HZ LYS 85 -2.807 -4.431 -24.764 732 H THR 86 H THR 86 -5.269 -6.254 -18.663 733 HA THR 86 HA THR 86 -3.673 -3.788 -18.926 734 HB THR 86 HB THR 86 -3.659 -3.534 -16.388 735 HG1 THR 86 HG1 THR 86 -4.737 -5.690 -16.228 736 1HG2 THR 86 1HG2 THR 86 -5.243 -1.914 -16.598 737 2HG2 THR 86 2HG2 THR 86 -6.460 -3.046 -17.188 738 3HG2 THR 86 3HG2 THR 86 -5.247 -2.400 -18.293 739 H ARG 87 H ARG 87 -1.692 -4.037 -17.324 740 HA ARG 87 HA ARG 87 -0.715 -6.822 -17.684 741 1HB ARG 87 2HB ARG 87 1.015 -4.552 -16.746 742 2HB ARG 87 1HB ARG 87 1.451 -5.951 -17.729 743 1HG ARG 87 2HG ARG 87 -0.293 -3.641 -18.636 744 2HG ARG 87 1HG ARG 87 1.392 -3.893 -19.093 745 1HD ARG 87 2HD ARG 87 -0.427 -6.195 -19.536 746 2HD ARG 87 1HD ARG 87 -0.688 -4.794 -20.575 747 HE ARG 87 HE ARG 87 1.377 -6.634 -20.980 748 1HH1 ARG 87 2HH1 ARG 87 0.576 -3.558 -21.840 749 2HH1 ARG 87 1HH1 ARG 87 2.192 -2.981 -22.077 750 1HH2 ARG 87 1HH2 ARG 87 3.680 -5.771 -20.652 751 2HH2 ARG 87 2HH2 ARG 87 3.950 -4.235 -21.406 752 H VAL 88 H VAL 88 0.470 -7.830 -15.882 753 HA VAL 88 HA VAL 88 -0.746 -7.076 -13.277 754 HB VAL 88 HB VAL 88 0.869 -9.562 -13.865 755 1HG1 VAL 88 1HG1 VAL 88 0.114 -10.306 -11.832 756 2HG1 VAL 88 2HG1 VAL 88 -1.438 -9.485 -11.994 757 3HG1 VAL 88 3HG1 VAL 88 -0.008 -8.577 -11.503 758 1HG2 VAL 88 1HG2 VAL 88 -1.976 -10.015 -13.845 759 2HG2 VAL 88 2HG2 VAL 88 -0.813 -10.392 -15.115 760 3HG2 VAL 88 3HG2 VAL 88 -1.588 -8.810 -15.072 761 H VAL 89 H VAL 89 0.493 -5.659 -12.158 762 HA VAL 89 HA VAL 89 3.294 -5.282 -12.542 763 HB VAL 89 HB VAL 89 1.398 -4.528 -10.321 764 1HG1 VAL 89 1HG1 VAL 89 4.325 -3.771 -10.573 765 2HG1 VAL 89 2HG1 VAL 89 3.661 -4.862 -9.357 766 3HG1 VAL 89 3HG1 VAL 89 3.198 -3.161 -9.361 767 1HG2 VAL 89 1HG2 VAL 89 0.967 -3.101 -12.084 768 2HG2 VAL 89 2HG2 VAL 89 2.604 -3.235 -12.727 769 3HG2 VAL 89 3HG2 VAL 89 2.292 -2.222 -11.317 770 H ARG 90 H ARG 90 1.459 -7.296 -10.279 771 HA ARG 90 HA ARG 90 3.408 -9.262 -9.934 772 1HB ARG 90 2HB ARG 90 4.112 -6.813 -8.576 773 2HB ARG 90 1HB ARG 90 3.837 -8.093 -7.396 774 1HG ARG 90 2HG ARG 90 5.283 -9.541 -9.044 775 2HG ARG 90 1HG ARG 90 5.854 -7.972 -9.616 776 1HD ARG 90 2HD ARG 90 7.121 -7.662 -7.773 777 2HD ARG 90 1HD ARG 90 5.793 -8.110 -6.703 778 HE ARG 90 HE ARG 90 7.369 -10.236 -8.080 779 1HH1 ARG 90 1HH2 ARG 90 8.736 -9.181 -5.654 780 2HH1 ARG 90 2HH2 ARG 90 8.102 -10.192 -4.398 781 1HH2 ARG 90 2HH1 ARG 90 5.431 -11.328 -6.295 782 2HH2 ARG 90 1HH1 ARG 90 6.233 -11.408 -4.761 783 H ALA 91 H ALA 91 1.819 -10.731 -9.513 784 HA ALA 91 HA ALA 91 -0.284 -10.095 -7.530 785 1HB ALA 91 1HB ALA 91 -1.111 -11.167 -9.505 786 2HB ALA 91 2HB ALA 91 -1.140 -12.395 -8.240 787 3HB ALA 91 3HB ALA 91 0.149 -12.399 -9.445 788 H ASP 92 H ASP 92 0.133 -10.559 -5.427 789 HA ASP 92 HA ASP 92 2.090 -12.719 -4.815 790 1HB ASP 92 2HB ASP 92 0.999 -10.495 -3.067 791 2HB ASP 92 1HB ASP 92 2.202 -11.685 -2.567 792 H GLY 93 H GLY 93 -0.886 -11.426 -3.322 793 1HA GLY 93 2HA GLY 93 -1.938 -14.193 -3.140 794 2HA GLY 93 1HA GLY 93 -1.734 -13.305 -1.631 795 H LEU 94 H LEU 94 -3.511 -12.224 -0.963 796 HA LEU 94 HA LEU 94 -5.840 -11.973 -2.672 797 1HB LEU 94 2HB LEU 94 -5.140 -11.156 0.131 798 2HB LEU 94 1HB LEU 94 -6.574 -10.468 -0.631 799 HG LEU 94 HG LEU 94 -6.742 -13.173 -1.254 800 1HD1 LEU 94 1HD1 LEU 94 -6.628 -13.755 1.458 801 2HD1 LEU 94 2HD1 LEU 94 -5.179 -12.785 1.193 802 3HD1 LEU 94 3HD1 LEU 94 -5.441 -14.254 0.252 803 1HD2 LEU 94 1HD2 LEU 94 -8.691 -13.121 0.117 804 2HD2 LEU 94 2HD2 LEU 94 -8.487 -11.465 -0.452 805 3HD2 LEU 94 3HD2 LEU 94 -8.000 -11.902 1.186 806 H TYR 95 H TYR 95 -3.127 -9.937 -1.897 807 HA TYR 95 HA TYR 95 -4.478 -7.651 -3.268 808 1HB TYR 95 2HB TYR 95 -2.980 -7.761 -0.871 809 2HB TYR 95 1HB TYR 95 -1.957 -6.942 -2.052 810 HD1 TYR 95 HD1 TYR 95 -2.177 -4.631 -2.124 811 HD2 TYR 95 HD2 TYR 95 -5.611 -7.028 -1.159 812 HE1 TYR 95 HE1 TYR 95 -3.545 -2.575 -1.886 813 HE2 TYR 95 HE2 TYR 95 -6.980 -4.971 -0.921 814 HH TYR 95 HH TYR 95 -6.182 -2.086 -2.119 815 H VAL 96 H VAL 96 -3.721 -7.094 -5.256 816 HA VAL 96 HA VAL 96 -0.990 -8.029 -6.035 817 HB VAL 96 HB VAL 96 -3.518 -8.136 -7.711 818 1HG1 VAL 96 1HG1 VAL 96 -1.881 -7.667 -9.292 819 2HG1 VAL 96 2HG1 VAL 96 -1.768 -9.425 -9.220 820 3HG1 VAL 96 3HG1 VAL 96 -0.602 -8.429 -8.348 821 1HG2 VAL 96 1HG2 VAL 96 -3.727 -10.206 -6.839 822 2HG2 VAL 96 2HG2 VAL 96 -2.223 -10.021 -5.936 823 3HG2 VAL 96 3HG2 VAL 96 -2.190 -10.629 -7.593 824 H ASP 97 H ASP 97 -0.034 -6.714 -7.775 825 HA ASP 97 HA ASP 97 -1.060 -3.914 -7.686 826 1HB ASP 97 2HB ASP 97 1.640 -5.025 -8.522 827 2HB ASP 97 1HB ASP 97 1.209 -3.314 -8.531 828 H LEU 98 H LEU 98 -1.573 -2.828 -9.645 829 HA LEU 98 HA LEU 98 -1.409 -4.509 -12.115 830 1HB LEU 98 2HB LEU 98 -3.748 -3.785 -10.731 831 2HB LEU 98 1HB LEU 98 -3.689 -2.724 -12.138 832 HG LEU 98 HG LEU 98 -4.862 -4.932 -12.531 833 1HD1 LEU 98 1HD1 LEU 98 -4.231 -3.958 -14.533 834 2HD1 LEU 98 2HD1 LEU 98 -3.267 -5.434 -14.601 835 3HD1 LEU 98 3HD1 LEU 98 -2.524 -3.917 -14.096 836 1HD2 LEU 98 1HD2 LEU 98 -2.464 -6.462 -12.973 837 2HD2 LEU 98 2HD2 LEU 98 -3.840 -6.852 -11.942 838 3HD2 LEU 98 3HD2 LEU 98 -2.495 -5.910 -11.298 839 H ARG 99 H ARG 99 -0.736 -3.449 -13.938 840 HA ARG 99 HA ARG 99 -0.517 -0.469 -13.798 841 1HB ARG 99 2HB ARG 99 1.613 -0.595 -14.986 842 2HB ARG 99 1HB ARG 99 1.713 -1.568 -13.520 843 1HG ARG 99 2HG ARG 99 1.091 -3.580 -14.923 844 2HG ARG 99 1HG ARG 99 1.272 -2.557 -16.349 845 1HD ARG 99 2HD ARG 99 3.597 -2.063 -14.915 846 2HD ARG 99 1HD ARG 99 3.333 -3.790 -14.677 847 HE ARG 99 HE ARG 99 3.018 -3.680 -17.328 848 1HH1 ARG 99 2HH1 ARG 99 4.279 -0.878 -17.155 849 2HH1 ARG 99 1HH1 ARG 99 5.927 -1.245 -17.544 850 1HH2 ARG 99 1HH2 ARG 99 5.567 -4.656 -17.033 851 2HH2 ARG 99 2HH2 ARG 99 6.655 -3.382 -17.477 852 H ARG 100 H ARG 100 -1.759 0.404 -15.389 853 HA ARG 100 HA ARG 100 -2.790 -1.245 -17.555 854 1HB ARG 100 2HB ARG 100 -3.883 0.820 -16.349 855 2HB ARG 100 1HB ARG 100 -2.980 1.754 -17.544 856 1HG ARG 100 2HG ARG 100 -4.413 1.184 -19.191 857 2HG ARG 100 1HG ARG 100 -4.318 -0.525 -18.765 858 1HD ARG 100 2HD ARG 100 -5.907 -0.080 -16.874 859 2HD ARG 100 1HD ARG 100 -6.087 1.570 -17.471 860 HE ARG 100 HE ARG 100 -6.743 -0.743 -19.242 861 1HH1 ARG 100 2HH1 ARG 100 -8.451 0.849 -16.971 862 2HH1 ARG 100 1HH1 ARG 100 -9.564 1.639 -18.038 863 1HH2 ARG 100 1HH2 ARG 100 -7.786 0.851 -20.908 864 2HH2 ARG 100 2HH2 ARG 100 -9.188 1.639 -20.265 865 H PHE 101 H PHE 101 -1.909 -1.495 -19.551 866 HA PHE 101 HA PHE 101 -0.463 -1.209 -21.373 867 1HB PHE 101 2HB PHE 101 -0.232 1.658 -20.424 868 2HB PHE 101 1HB PHE 101 0.036 1.048 -22.056 869 HD1 PHE 101 HD1 PHE 101 -2.433 -0.984 -21.639 870 HD2 PHE 101 HD2 PHE 101 -1.900 3.272 -21.365 871 HE1 PHE 101 HE1 PHE 101 -4.835 -0.650 -22.158 872 HE2 PHE 101 HE2 PHE 101 -4.304 3.606 -21.883 873 HZ PHE 101 HZ PHE 101 -5.771 1.645 -22.280 874 H PHE 102 HN PHE 102 1.872 -0.640 -21.886 875 HA PHE 102 HA PHE 102 3.603 -1.634 -19.840 876 1HB PHE 102 2HB PHE 102 4.144 -1.787 -22.244 877 2HB PHE 102 1HB PHE 102 4.292 -0.031 -22.324 878 HD1 PHE 102 HD1 PHE 102 5.407 -2.348 -19.614 879 HD2 PHE 102 HD2 PHE 102 6.588 0.332 -22.758 880 HE1 PHE 102 HE1 PHE 102 7.767 -2.513 -18.867 881 HE2 PHE 102 HE2 PHE 102 8.949 0.168 -22.012 882 HZ PHE 102 HZ PHE 102 9.538 -1.255 -20.066 Start of MODEL 18 1 1H MET 1 1H MET 1 26.403 -46.826 15.968 2 2H MET 1 2H MET 1 25.777 -47.720 14.666 3 3H MET 1 3H MET 1 25.100 -47.883 16.215 4 HA MET 1 HA MET 1 23.898 -46.432 14.473 5 1HB MET 1 2HB MET 1 24.260 -46.234 17.364 6 2HB MET 1 1HB MET 1 23.802 -44.689 16.648 7 1HG MET 1 2HG MET 1 21.679 -45.436 16.577 8 2HG MET 1 1HG MET 1 22.195 -46.605 15.363 9 1HE MET 1 1HE MET 1 20.894 -49.547 16.783 10 2HE MET 1 2HE MET 1 21.046 -48.346 15.504 11 3HE MET 1 3HE MET 1 19.851 -48.119 16.777 12 H THR 2 H THR 2 26.810 -46.006 13.999 13 HA THR 2 HA THR 2 26.666 -43.055 13.612 14 HB THR 2 HB THR 2 29.061 -42.865 14.229 15 HG1 THR 2 HG1 THR 2 29.507 -45.110 13.782 16 1HG2 THR 2 1HG2 THR 2 28.279 -42.350 16.268 17 2HG2 THR 2 2HG2 THR 2 28.299 -44.058 16.706 18 3HG2 THR 2 3HG2 THR 2 26.857 -43.350 15.979 19 H VAL 3 H VAL 3 26.485 -45.688 11.981 20 HA VAL 3 HA VAL 3 28.770 -45.374 10.142 21 HB VAL 3 HB VAL 3 26.377 -47.140 9.655 22 1HG1 VAL 3 1HG1 VAL 3 28.406 -48.590 8.849 23 2HG1 VAL 3 2HG1 VAL 3 29.282 -47.060 8.876 24 3HG1 VAL 3 3HG1 VAL 3 27.862 -47.245 7.846 25 1HG2 VAL 3 1HG2 VAL 3 27.706 -48.895 10.945 26 2HG2 VAL 3 2HG2 VAL 3 26.939 -47.651 11.931 27 3HG2 VAL 3 3HG2 VAL 3 28.667 -47.565 11.592 28 H ILE 4 H ILE 4 25.218 -44.997 10.046 29 HA ILE 4 HA ILE 4 25.596 -43.011 7.867 30 HB ILE 4 HB ILE 4 25.046 -44.990 6.627 31 1HG1 ILE 4 2HG1 ILE 4 22.460 -43.479 7.114 32 2HG1 ILE 4 1HG1 ILE 4 23.760 -42.914 6.065 33 1HG2 ILE 4 1HG2 ILE 4 24.241 -46.271 8.636 34 2HG2 ILE 4 2HG2 ILE 4 23.213 -46.465 7.216 35 3HG2 ILE 4 3HG2 ILE 4 22.715 -45.392 8.524 36 1HD1 ILE 4 1HD1 ILE 4 22.380 -43.997 4.532 37 2HD1 ILE 4 2HD1 ILE 4 21.902 -45.241 5.688 38 3HD1 ILE 4 3HD1 ILE 4 23.505 -45.287 4.956 39 H LYS 5 H LYS 5 24.061 -41.344 7.923 40 HA LYS 5 HA LYS 5 22.467 -41.206 10.406 41 1HB LYS 5 2HB LYS 5 21.991 -38.846 9.504 42 2HB LYS 5 1HB LYS 5 23.662 -39.200 9.942 43 1HG LYS 5 2HG LYS 5 24.364 -39.315 7.729 44 2HG LYS 5 1HG LYS 5 22.756 -39.730 7.133 45 1HD LYS 5 2HD LYS 5 21.969 -37.461 7.539 46 2HD LYS 5 1HD LYS 5 23.511 -37.025 8.277 47 1HE LYS 5 2HE LYS 5 24.269 -36.443 6.241 48 2HE LYS 5 1HE LYS 5 24.139 -38.133 5.754 49 1HZ LYS 5 1HZ LYS 5 22.851 -36.400 4.421 50 2HZ LYS 5 2HZ LYS 5 21.782 -36.355 5.740 51 3HZ LYS 5 3HZ LYS 5 22.026 -37.806 4.889 52 HA PRO 6 HA PRO 6 18.662 -42.133 8.416 53 1HB PRO 6 2HB PRO 6 16.966 -40.850 10.158 54 2HB PRO 6 1HB PRO 6 17.781 -42.378 10.534 55 1HG PRO 6 2HG PRO 6 18.380 -39.635 11.539 56 2HG PRO 6 1HG PRO 6 18.697 -41.203 12.300 57 1HD PRO 6 2HD PRO 6 20.603 -39.595 10.959 58 2HD PRO 6 1HD PRO 6 20.818 -41.293 11.435 59 H SER 7 H SER 7 18.362 -38.812 9.730 60 HA SER 7 HA SER 7 17.837 -37.833 6.966 61 1HB SER 7 2HB SER 7 15.779 -38.278 8.725 62 2HB SER 7 1HB SER 7 16.171 -36.595 9.063 63 HG SER 7 HG SER 7 15.567 -37.766 6.546 64 H SER 8 H SER 8 17.083 -35.194 8.077 65 HA SER 8 HA SER 8 19.579 -34.375 9.465 66 1HB SER 8 2HB SER 8 18.595 -33.270 6.824 67 2HB SER 8 1HB SER 8 19.767 -32.437 7.840 68 HG SER 8 HG SER 8 20.356 -34.156 6.068 69 H ARG 9 H ARG 9 19.318 -32.462 10.698 70 HA ARG 9 HA ARG 9 16.650 -31.917 11.610 71 1HB ARG 9 2HB ARG 9 19.284 -31.283 12.430 72 2HB ARG 9 1HB ARG 9 18.449 -29.745 12.211 73 1HG ARG 9 2HG ARG 9 16.525 -31.239 13.475 74 2HG ARG 9 1HG ARG 9 18.002 -31.852 14.222 75 1HD ARG 9 2HD ARG 9 18.656 -29.665 14.941 76 2HD ARG 9 1HD ARG 9 17.421 -28.896 13.944 77 HE ARG 9 HE ARG 9 15.799 -30.249 15.526 78 1HH1 ARG 9 1HH2 ARG 9 18.665 -30.543 16.987 79 2HH1 ARG 9 2HH2 ARG 9 18.342 -29.528 18.354 80 1HH2 ARG 9 2HH1 ARG 9 15.439 -28.190 17.009 81 2HH2 ARG 9 1HH1 ARG 9 16.516 -28.196 18.366 82 HA PRO 10 HA PRO 10 17.040 -27.877 9.091 83 1HB PRO 10 2HB PRO 10 19.224 -27.613 7.443 84 2HB PRO 10 1HB PRO 10 19.196 -27.071 9.130 85 1HG PRO 10 2HG PRO 10 20.547 -29.449 7.945 86 2HG PRO 10 1HG PRO 10 20.956 -28.538 9.409 87 1HD PRO 10 2HD PRO 10 19.613 -31.032 9.315 88 2HD PRO 10 1HD PRO 10 19.761 -29.975 10.735 89 H ARG 11 H ARG 11 15.381 -28.404 7.690 90 HA ARG 11 HA ARG 11 14.321 -29.070 5.706 91 1HB ARG 11 2HB ARG 11 17.046 -28.343 4.964 92 2HB ARG 11 1HB ARG 11 16.386 -29.586 3.901 93 1HG ARG 11 2HG ARG 11 15.163 -28.020 2.850 94 2HG ARG 11 1HG ARG 11 14.318 -27.684 4.362 95 1HD ARG 11 2HD ARG 11 16.095 -26.103 5.011 96 2HD ARG 11 1HD ARG 11 16.951 -26.442 3.508 97 HE ARG 11 HE ARG 11 14.230 -25.567 3.017 98 1HH1 ARG 11 1HH2 ARG 11 17.483 -24.899 2.587 99 2HH1 ARG 11 2HH2 ARG 11 17.296 -23.185 2.439 100 1HH2 ARG 11 2HH1 ARG 11 13.953 -23.202 3.351 101 2HH2 ARG 11 1HH1 ARG 11 15.299 -22.223 2.874 102 HA PRO 12 HA PRO 12 15.182 -33.460 6.539 103 1HB PRO 12 2HB PRO 12 12.527 -34.115 6.820 104 2HB PRO 12 1HB PRO 12 13.531 -33.507 8.149 105 1HG PRO 12 2HG PRO 12 11.417 -32.091 6.595 106 2HG PRO 12 1HG PRO 12 11.980 -31.797 8.248 107 1HD PRO 12 2HD PRO 12 12.685 -30.282 5.960 108 2HD PRO 12 1HD PRO 12 13.483 -30.213 7.547 109 H ARG 13 H ARG 13 13.801 -35.409 5.423 110 HA ARG 13 HA ARG 13 12.656 -34.724 2.827 111 1HB ARG 13 2HB ARG 13 15.422 -34.894 2.908 112 2HB ARG 13 1HB ARG 13 14.939 -36.510 2.391 113 1HG ARG 13 2HG ARG 13 13.274 -34.942 0.883 114 2HG ARG 13 1HG ARG 13 14.722 -33.938 0.962 115 1HD ARG 13 2HD ARG 13 15.806 -35.287 -0.478 116 2HD ARG 13 1HD ARG 13 15.443 -36.704 0.508 117 HE ARG 13 HE ARG 13 13.146 -36.625 -0.698 118 1HH1 ARG 13 1HH2 ARG 13 15.105 -38.046 -2.337 119 2HH1 ARG 13 2HH2 ARG 13 15.092 -37.173 -3.833 120 1HH2 ARG 13 2HH1 ARG 13 13.554 -34.371 -2.486 121 2HH2 ARG 13 1HH1 ARG 13 14.212 -35.091 -3.917 122 H LYS 14 H LYS 14 11.398 -36.084 4.770 123 HA LYS 14 HA LYS 14 11.741 -38.821 5.115 124 1HB LYS 14 2HB LYS 14 9.124 -37.359 4.645 125 2HB LYS 14 1HB LYS 14 9.273 -38.969 5.349 126 1HG LYS 14 2HG LYS 14 11.031 -37.078 6.683 127 2HG LYS 14 1HG LYS 14 9.353 -36.536 6.735 128 1HD LYS 14 2HD LYS 14 8.647 -38.677 7.666 129 2HD LYS 14 1HD LYS 14 10.288 -39.311 7.522 130 1HE LYS 14 2HE LYS 14 10.982 -38.259 9.405 131 2HE LYS 14 1HE LYS 14 10.144 -36.765 8.982 132 1HZ LYS 14 1HZ LYS 14 8.896 -37.412 10.745 133 2HZ LYS 14 2HZ LYS 14 9.192 -39.069 10.508 134 3HZ LYS 14 3HZ LYS 14 8.063 -38.256 9.533 135 H ASN 15 H ASN 15 10.017 -37.242 2.405 136 HA ASN 15 HA ASN 15 10.628 -39.659 0.769 137 1HB ASN 15 2HB ASN 15 7.949 -38.237 0.760 138 2HB ASN 15 1HB ASN 15 8.382 -39.683 -0.152 139 1HD2 ASN 15 1HD2 ASN 15 7.092 -38.575 2.837 140 2HD2 ASN 15 2HD2 ASN 15 7.125 -40.059 3.660 141 H LYS 16 H LYS 16 9.975 -39.057 -1.653 142 HA LYS 16 HA LYS 16 11.366 -36.506 -2.211 143 1HB LYS 16 2HB LYS 16 10.372 -38.517 -4.240 144 2HB LYS 16 1HB LYS 16 11.658 -37.325 -4.432 145 1HG LYS 16 2HG LYS 16 12.855 -38.551 -2.516 146 2HG LYS 16 1HG LYS 16 11.688 -39.849 -2.772 147 1HD LYS 16 2HD LYS 16 12.419 -39.558 -5.305 148 2HD LYS 16 1HD LYS 16 13.877 -38.886 -4.575 149 1HE LYS 16 2HE LYS 16 14.314 -40.902 -3.364 150 2HE LYS 16 1HE LYS 16 12.715 -41.549 -3.732 151 1HZ LYS 16 1HZ LYS 16 13.287 -41.971 -5.907 152 2HZ LYS 16 2HZ LYS 16 14.741 -42.325 -5.102 153 3HZ LYS 16 3HZ LYS 16 14.557 -40.846 -5.918 154 H ASN 17 H ASN 17 8.194 -37.595 -1.864 155 HA ASN 17 HA ASN 17 7.160 -35.091 -2.998 156 1HB ASN 17 2HB ASN 17 7.248 -36.751 -4.918 157 2HB ASN 17 1HB ASN 17 6.073 -37.722 -4.030 158 1HD2 ASN 17 1HD2 ASN 17 4.829 -37.098 -6.189 159 2HD2 ASN 17 2HD2 ASN 17 3.893 -35.684 -6.106 160 H ILE 18 H ILE 18 5.682 -34.392 -1.538 161 HA ILE 18 HA ILE 18 4.407 -36.409 0.245 162 HB ILE 18 HB ILE 18 4.422 -33.398 0.565 163 1HG1 ILE 18 2HG1 ILE 18 6.192 -34.873 2.338 164 2HG1 ILE 18 1HG1 ILE 18 6.648 -35.106 0.650 165 1HG2 ILE 18 1HG2 ILE 18 4.089 -34.100 2.985 166 2HG2 ILE 18 2HG2 ILE 18 3.839 -35.741 2.392 167 3HG2 ILE 18 3HG2 ILE 18 2.735 -34.453 1.912 168 1HD1 ILE 18 1HD1 ILE 18 7.732 -33.103 1.707 169 2HD1 ILE 18 2HD1 ILE 18 6.129 -32.398 1.907 170 3HD1 ILE 18 3HD1 ILE 18 6.758 -32.709 0.290 171 H LYS 19 H LYS 19 3.680 -33.797 -2.020 172 HA LYS 19 HA LYS 19 0.957 -33.408 -1.635 173 1HB LYS 19 2HB LYS 19 2.816 -33.044 -3.789 174 2HB LYS 19 1HB LYS 19 1.322 -33.716 -4.443 175 1HG LYS 19 2HG LYS 19 1.257 -31.237 -4.372 176 2HG LYS 19 1HG LYS 19 0.020 -31.954 -3.339 177 1HD LYS 19 2HD LYS 19 0.853 -30.697 -1.660 178 2HD LYS 19 1HD LYS 19 2.260 -31.759 -1.685 179 1HE LYS 19 2HE LYS 19 1.931 -29.233 -3.331 180 2HE LYS 19 1HE LYS 19 2.941 -29.398 -1.894 181 1HZ LYS 19 1HZ LYS 19 3.796 -31.448 -3.373 182 2HZ LYS 19 2HZ LYS 19 4.514 -29.907 -3.389 183 3HZ LYS 19 3HZ LYS 19 3.397 -30.340 -4.593 184 H VAL 20 H VAL 20 -0.861 -34.359 -3.049 185 HA VAL 20 HA VAL 20 -0.481 -37.311 -3.342 186 HB VAL 20 HB VAL 20 -1.778 -36.949 -1.328 187 1HG1 VAL 20 1HG1 VAL 20 -3.562 -35.215 -3.066 188 2HG1 VAL 20 2HG1 VAL 20 -2.470 -34.629 -1.811 189 3HG1 VAL 20 3HG1 VAL 20 -3.861 -35.622 -1.376 190 1HG2 VAL 20 1HG2 VAL 20 -3.408 -38.466 -1.850 191 2HG2 VAL 20 2HG2 VAL 20 -2.596 -38.498 -3.414 192 3HG2 VAL 20 3HG2 VAL 20 -4.026 -37.493 -3.183 193 H ASN 21 H ASN 21 -1.175 -34.459 -4.904 194 HA ASN 21 HA ASN 21 -2.977 -35.802 -6.872 195 1HB ASN 21 2HB ASN 21 -3.147 -33.283 -5.673 196 2HB ASN 21 1HB ASN 21 -2.543 -32.952 -7.298 197 1HD2 ASN 21 1HD2 ASN 21 -4.123 -32.846 -8.900 198 2HD2 ASN 21 2HD2 ASN 21 -5.677 -33.520 -8.780 199 H THR 22 H THR 22 -2.227 -36.147 -8.936 200 HA THR 22 HA THR 22 0.598 -35.868 -9.465 201 HB THR 22 HB THR 22 -0.849 -37.652 -10.461 202 HG1 THR 22 HG1 THR 22 0.329 -37.673 -12.255 203 1HG2 THR 22 1HG2 THR 22 -2.866 -36.631 -11.045 204 2HG2 THR 22 2HG2 THR 22 -2.070 -36.779 -12.612 205 3HG2 THR 22 3HG2 THR 22 -2.065 -35.234 -11.762 206 H TYR 23 H TYR 23 1.413 -34.664 -11.442 207 HA TYR 23 HA TYR 23 0.791 -31.884 -11.241 208 1HB TYR 23 2HB TYR 23 2.315 -33.533 -13.254 209 2HB TYR 23 1HB TYR 23 2.069 -31.804 -13.499 210 HD1 TYR 23 HD1 TYR 23 3.242 -30.171 -12.189 211 HD2 TYR 23 HD2 TYR 23 3.524 -34.349 -11.220 212 HE1 TYR 23 HE1 TYR 23 5.098 -29.681 -10.616 213 HE2 TYR 23 HE2 TYR 23 5.380 -33.858 -9.648 214 HH TYR 23 HH TYR 23 7.174 -31.271 -9.672 215 H ARG 24 H ARG 24 -1.354 -31.368 -11.649 216 HA ARG 24 HA ARG 24 -2.832 -32.501 -13.878 217 1HB ARG 24 2HB ARG 24 -4.098 -31.779 -11.969 218 2HB ARG 24 1HB ARG 24 -3.368 -30.175 -12.016 219 1HG ARG 24 2HG ARG 24 -4.415 -29.792 -14.240 220 2HG ARG 24 1HG ARG 24 -5.204 -31.365 -14.114 221 1HD ARG 24 2HD ARG 24 -5.533 -29.176 -12.048 222 2HD ARG 24 1HD ARG 24 -6.640 -29.402 -13.402 223 HE ARG 24 HE ARG 24 -6.742 -31.862 -12.354 224 1HH1 ARG 24 1HH2 ARG 24 -8.916 -30.039 -11.558 225 2HH1 ARG 24 2HH2 ARG 24 -8.784 -30.004 -9.831 226 1HH2 ARG 24 2HH1 ARG 24 -5.562 -31.284 -9.786 227 2HH2 ARG 24 1HH1 ARG 24 -6.885 -30.706 -8.829 228 H THR 25 H THR 25 -2.393 -29.011 -13.323 229 HA THR 25 HA THR 25 -1.387 -28.782 -16.126 230 HB THR 25 HB THR 25 -3.542 -27.082 -14.833 231 HG1 THR 25 HG1 THR 25 -3.532 -28.885 -17.021 232 1HG2 THR 25 1HG2 THR 25 -2.207 -25.633 -16.184 233 2HG2 THR 25 2HG2 THR 25 -3.607 -26.061 -17.168 234 3HG2 THR 25 3HG2 THR 25 -2.054 -26.847 -17.454 235 H SER 26 H SER 26 -2.107 -26.617 -13.355 236 HA SER 26 HA SER 26 0.763 -25.881 -13.270 237 1HB SER 26 2HB SER 26 0.443 -23.603 -13.663 238 2HB SER 26 1HB SER 26 -0.707 -24.314 -14.792 239 HG SER 26 HG SER 26 -1.491 -22.585 -13.341 240 H ALA 27 H ALA 27 -2.468 -25.486 -11.860 241 HA ALA 27 HA ALA 27 -3.111 -25.105 -9.625 242 1HB ALA 27 1HB ALA 27 -2.685 -27.153 -8.778 243 2HB ALA 27 2HB ALA 27 -1.150 -26.510 -8.198 244 3HB ALA 27 3HB ALA 27 -1.232 -27.320 -9.762 245 H MET 28 H MET 28 -2.662 -22.899 -9.314 246 HA MET 28 HA MET 28 -1.591 -21.060 -8.327 247 1HB MET 28 2HB MET 28 0.231 -23.097 -7.026 248 2HB MET 28 1HB MET 28 -0.163 -21.478 -6.445 249 1HG MET 28 2HG MET 28 -2.174 -23.725 -6.761 250 2HG MET 28 1HG MET 28 -1.421 -23.262 -5.235 251 1HE MET 28 1HE MET 28 -3.048 -20.424 -3.903 252 2HE MET 28 2HE MET 28 -1.825 -21.691 -3.889 253 3HE MET 28 3HE MET 28 -3.525 -22.116 -3.709 254 H ASP 29 H ASP 29 -0.691 -20.282 -10.295 255 HA ASP 29 HA ASP 29 2.238 -20.487 -10.427 256 1HB ASP 29 2HB ASP 29 0.469 -21.939 -12.263 257 2HB ASP 29 1HB ASP 29 1.606 -20.878 -13.095 258 H LEU 30 H LEU 30 -0.125 -18.505 -10.160 259 HA LEU 30 HA LEU 30 -0.010 -16.816 -12.500 260 1HB LEU 30 2HB LEU 30 -1.874 -16.768 -10.835 261 2HB LEU 30 1HB LEU 30 -0.764 -16.057 -9.663 262 HG LEU 30 HG LEU 30 -0.399 -14.132 -11.125 263 1HD1 LEU 30 1HD1 LEU 30 -1.973 -15.832 -13.022 264 2HD1 LEU 30 2HD1 LEU 30 -0.550 -14.834 -13.328 265 3HD1 LEU 30 3HD1 LEU 30 -2.132 -14.079 -13.137 266 1HD2 LEU 30 1HD2 LEU 30 -2.744 -13.227 -11.134 267 2HD2 LEU 30 2HD2 LEU 30 -2.282 -13.959 -9.597 268 3HD2 LEU 30 3HD2 LEU 30 -3.320 -14.841 -10.717 269 H SER 31 H SER 31 2.257 -16.525 -12.903 270 HA SER 31 HA SER 31 3.949 -15.316 -10.841 271 1HB SER 31 2HB SER 31 4.953 -15.129 -13.573 272 2HB SER 31 1HB SER 31 5.644 -15.965 -12.185 273 HG SER 31 HG SER 31 4.398 -17.007 -14.269 274 HA PRO 32 HA PRO 32 3.448 -11.099 -11.952 275 1HB PRO 32 2HB PRO 32 6.031 -10.169 -12.114 276 2HB PRO 32 1HB PRO 32 5.230 -10.575 -10.587 277 1HG PRO 32 2HG PRO 32 7.331 -12.089 -12.064 278 2HG PRO 32 1HG PRO 32 6.959 -12.086 -10.332 279 1HD PRO 32 2HD PRO 32 6.213 -14.093 -12.187 280 2HD PRO 32 1HD PRO 32 5.583 -13.908 -10.535 281 H GLY 33 H GLY 33 4.037 -9.358 -13.627 282 1HA GLY 33 2HA GLY 33 4.142 -8.729 -15.885 283 2HA GLY 33 1HA GLY 33 5.457 -9.899 -16.014 284 H SER 34 H SER 34 2.020 -9.397 -16.472 285 HA SER 34 HA SER 34 1.925 -11.573 -18.406 286 1HB SER 34 2HB SER 34 1.487 -12.350 -15.798 287 2HB SER 34 1HB SER 34 -0.149 -12.027 -16.367 288 HG SER 34 HG SER 34 1.732 -13.556 -17.835 289 H VAL 35 H VAL 35 -0.405 -11.775 -19.262 290 HA VAL 35 HA VAL 35 -1.753 -9.109 -19.068 291 HB VAL 35 HB VAL 35 -2.412 -9.371 -21.405 292 1HG1 VAL 35 1HG1 VAL 35 0.527 -9.893 -20.878 293 2HG1 VAL 35 2HG1 VAL 35 -0.258 -8.326 -21.083 294 3HG1 VAL 35 3HG1 VAL 35 -0.115 -9.428 -22.453 295 1HG2 VAL 35 1HG2 VAL 35 -0.870 -11.543 -22.307 296 2HG2 VAL 35 2HG2 VAL 35 -2.630 -11.476 -22.194 297 3HG2 VAL 35 3HG2 VAL 35 -1.684 -12.130 -20.856 298 H HIS 36 H HIS 36 -4.024 -9.141 -18.855 299 HA HIS 36 HA HIS 36 -5.542 -11.605 -19.181 300 1HB HIS 36 2HB HIS 36 -6.208 -11.721 -16.746 301 2HB HIS 36 1HB HIS 36 -4.535 -12.183 -17.063 302 HD1 HIS 36 HD1 HIS 36 -6.243 -10.405 -14.627 303 HD2 HIS 36 HD2 HIS 36 -2.957 -9.408 -16.992 304 HE1 HIS 36 HE1 HIS 36 -5.044 -8.522 -13.430 305 H GLU 37 H GLU 37 -7.859 -11.253 -18.455 306 HA GLU 37 HA GLU 37 -8.596 -8.415 -18.959 307 1HB GLU 37 2HB GLU 37 -9.592 -10.805 -19.979 308 2HB GLU 37 1HB GLU 37 -10.796 -10.335 -18.779 309 1HG GLU 37 2HG GLU 37 -10.921 -8.082 -19.803 310 2HG GLU 37 1HG GLU 37 -9.749 -8.582 -21.022 311 H GLY 38 H GLY 38 -9.921 -7.280 -17.479 312 1HA GLY 38 2HA GLY 38 -10.804 -8.675 -15.029 313 2HA GLY 38 1HA GLY 38 -9.591 -7.414 -14.805 314 H ILE 39 H ILE 39 -11.831 -6.900 -13.512 315 HA ILE 39 HA ILE 39 -13.604 -5.263 -15.246 316 HB ILE 39 HB ILE 39 -13.798 -6.035 -12.315 317 1HG1 ILE 39 2HG1 ILE 39 -15.719 -6.909 -14.436 318 2HG1 ILE 39 1HG1 ILE 39 -14.150 -7.711 -14.357 319 1HG2 ILE 39 1HG2 ILE 39 -15.396 -4.467 -12.115 320 2HG2 ILE 39 2HG2 ILE 39 -16.277 -5.183 -13.464 321 3HG2 ILE 39 3HG2 ILE 39 -15.071 -3.933 -13.761 322 1HD1 ILE 39 1HD1 ILE 39 -14.968 -8.988 -12.694 323 2HD1 ILE 39 2HD1 ILE 39 -16.446 -8.027 -12.618 324 3HD1 ILE 39 3HD1 ILE 39 -15.027 -7.539 -11.691 325 H VAL 40 H VAL 40 -13.884 -2.989 -14.798 326 HA VAL 40 HA VAL 40 -11.493 -1.805 -13.492 327 HB VAL 40 HB VAL 40 -13.613 -0.367 -15.102 328 1HG1 VAL 40 1HG1 VAL 40 -12.290 1.446 -14.851 329 2HG1 VAL 40 2HG1 VAL 40 -10.837 0.526 -15.244 330 3HG1 VAL 40 3HG1 VAL 40 -11.454 0.537 -13.591 331 1HG2 VAL 40 1HG2 VAL 40 -12.716 -1.122 -17.045 332 2HG2 VAL 40 2HG2 VAL 40 -12.041 -2.425 -16.068 333 3HG2 VAL 40 3HG2 VAL 40 -11.068 -0.999 -16.428 334 H TYR 41 H TYR 41 -11.652 -0.385 -11.762 335 HA TYR 41 HA TYR 41 -14.360 0.259 -10.719 336 1HB TYR 41 2HB TYR 41 -13.473 -1.850 -9.616 337 2HB TYR 41 1HB TYR 41 -12.168 -0.864 -8.956 338 HD1 TYR 41 HD1 TYR 41 -12.482 -0.013 -6.815 339 HD2 TYR 41 HD2 TYR 41 -15.905 -0.692 -9.323 340 HE1 TYR 41 HE1 TYR 41 -13.974 0.733 -4.979 341 HE2 TYR 41 HE2 TYR 41 -17.398 0.055 -7.487 342 HH TYR 41 HH TYR 41 -16.554 0.214 -4.382 343 H PHE 42 H PHE 42 -14.341 2.126 -9.307 344 HA PHE 42 HA PHE 42 -11.964 3.853 -9.772 345 1HB PHE 42 2HB PHE 42 -14.149 4.769 -10.431 346 2HB PHE 42 1HB PHE 42 -14.753 4.533 -8.789 347 HD1 PHE 42 HD1 PHE 42 -12.913 6.708 -11.006 348 HD2 PHE 42 HD2 PHE 42 -13.584 5.744 -6.871 349 HE1 PHE 42 HE1 PHE 42 -11.979 8.908 -10.340 350 HE2 PHE 42 HE2 PHE 42 -12.650 7.944 -6.206 351 HZ PHE 42 HZ PHE 42 -11.847 9.526 -7.941 352 H LYS 43 H LYS 43 -10.530 4.090 -8.130 353 HA LYS 43 HA LYS 43 -11.500 3.568 -5.348 354 1HB LYS 43 2HB LYS 43 -9.412 2.354 -6.720 355 2HB LYS 43 1HB LYS 43 -8.597 3.565 -5.729 356 1HG LYS 43 2HG LYS 43 -10.698 2.185 -4.247 357 2HG LYS 43 1HG LYS 43 -9.481 1.066 -4.862 358 1HD LYS 43 2HD LYS 43 -8.068 3.319 -3.892 359 2HD LYS 43 1HD LYS 43 -9.271 2.922 -2.665 360 1HE LYS 43 2HE LYS 43 -8.508 0.512 -2.838 361 2HE LYS 43 1HE LYS 43 -7.175 1.082 -3.842 362 1HZ LYS 43 1HZ LYS 43 -6.687 2.668 -1.952 363 2HZ LYS 43 2HZ LYS 43 -6.339 1.028 -1.675 364 3HZ LYS 43 3HZ LYS 43 -7.739 1.726 -1.012 365 H ASP 44 H ASP 44 -10.371 4.892 -3.656 366 HA ASP 44 HA ASP 44 -10.430 7.691 -4.366 367 1HB ASP 44 2HB ASP 44 -10.947 6.609 -2.081 368 2HB ASP 44 1HB ASP 44 -9.199 6.576 -1.844 369 H GLY 45 H GLY 45 -8.052 5.336 -4.756 370 1HA GLY 45 2HA GLY 45 -5.817 7.278 -4.490 371 2HA GLY 45 1HA GLY 45 -5.638 5.538 -4.721 372 H ILE 46 H ILE 46 -6.784 4.805 -6.902 373 HA ILE 46 HA ILE 46 -6.583 6.791 -9.055 374 HB ILE 46 HB ILE 46 -4.584 4.551 -8.710 375 1HG1 ILE 46 2HG1 ILE 46 -3.237 6.683 -9.671 376 2HG1 ILE 46 1HG1 ILE 46 -4.572 7.523 -8.881 377 1HG2 ILE 46 1HG2 ILE 46 -4.838 4.115 -10.923 378 2HG2 ILE 46 2HG2 ILE 46 -4.064 5.678 -11.181 379 3HG2 ILE 46 3HG2 ILE 46 -5.824 5.555 -11.176 380 1HD1 ILE 46 1HD1 ILE 46 -3.853 5.593 -7.022 381 2HD1 ILE 46 2HD1 ILE 46 -3.389 7.294 -6.967 382 3HD1 ILE 46 3HD1 ILE 46 -2.304 6.106 -7.690 383 H PHE 47 H PHE 47 -5.986 3.388 -9.641 384 HA PHE 47 HA PHE 47 -8.867 3.080 -10.382 385 1HB PHE 47 2HB PHE 47 -6.476 2.859 -12.056 386 2HB PHE 47 1HB PHE 47 -7.478 1.408 -12.112 387 HD1 PHE 47 HD1 PHE 47 -7.063 4.720 -13.361 388 HD2 PHE 47 HD2 PHE 47 -10.051 1.783 -12.400 389 HE1 PHE 47 HE1 PHE 47 -8.686 5.887 -14.832 390 HE2 PHE 47 HE2 PHE 47 -11.672 2.950 -13.871 391 HZ PHE 47 HZ PHE 47 -10.990 5.003 -15.087 392 H LYS 48 H LYS 48 -9.543 0.758 -10.446 393 HA LYS 48 HA LYS 48 -7.807 -1.020 -8.805 394 1HB LYS 48 2HB LYS 48 -10.088 0.304 -7.810 395 2HB LYS 48 1HB LYS 48 -10.593 -1.362 -8.096 396 1HG LYS 48 2HG LYS 48 -8.334 -1.975 -6.930 397 2HG LYS 48 1HG LYS 48 -8.420 -0.332 -6.291 398 1HD LYS 48 2HD LYS 48 -9.760 -1.159 -4.675 399 2HD LYS 48 1HD LYS 48 -10.995 -1.336 -5.921 400 1HE LYS 48 2HE LYS 48 -8.894 -3.458 -5.512 401 2HE LYS 48 1HE LYS 48 -10.367 -3.439 -4.542 402 1HZ LYS 48 1HZ LYS 48 -11.062 -3.042 -7.224 403 2HZ LYS 48 2HZ LYS 48 -11.450 -4.356 -6.218 404 3HZ LYS 48 3HZ LYS 48 -10.028 -4.386 -7.150 405 H VAL 49 H VAL 49 -7.664 -2.981 -9.776 406 HA VAL 49 HA VAL 49 -9.708 -3.675 -11.830 407 HB VAL 49 HB VAL 49 -6.925 -4.772 -11.320 408 1HG1 VAL 49 1HG1 VAL 49 -7.872 -6.615 -12.302 409 2HG1 VAL 49 2HG1 VAL 49 -7.601 -5.679 -13.773 410 3HG1 VAL 49 3HG1 VAL 49 -9.192 -5.686 -13.013 411 1HG2 VAL 49 1HG2 VAL 49 -6.393 -3.679 -13.454 412 2HG2 VAL 49 2HG2 VAL 49 -7.032 -2.493 -12.316 413 3HG2 VAL 49 3HG2 VAL 49 -8.060 -3.123 -13.603 414 H ARG 50 H ARG 50 -11.260 -5.078 -11.176 415 HA ARG 50 HA ARG 50 -10.700 -6.835 -8.841 416 1HB ARG 50 2HB ARG 50 -12.785 -5.336 -9.008 417 2HB ARG 50 1HB ARG 50 -13.363 -6.475 -10.225 418 1HG ARG 50 2HG ARG 50 -12.586 -8.196 -8.264 419 2HG ARG 50 1HG ARG 50 -13.103 -6.815 -7.296 420 1HD ARG 50 2HD ARG 50 -15.190 -6.836 -8.896 421 2HD ARG 50 1HD ARG 50 -14.708 -8.506 -9.190 422 HE ARG 50 HE ARG 50 -16.065 -7.607 -6.860 423 1HH1 ARG 50 1HH2 ARG 50 -13.906 -9.929 -8.115 424 2HH1 ARG 50 2HH2 ARG 50 -13.694 -10.765 -6.613 425 1HH2 ARG 50 2HH1 ARG 50 -15.550 -8.484 -4.775 426 2HH2 ARG 50 1HH1 ARG 50 -14.625 -9.947 -4.722 427 H LEU 51 H LEU 51 -10.335 -8.994 -9.154 428 HA LEU 51 HA LEU 51 -10.679 -10.062 -11.899 429 1HB LEU 51 2HB LEU 51 -8.952 -10.658 -9.599 430 2HB LEU 51 1HB LEU 51 -9.607 -12.102 -10.375 431 HG LEU 51 HG LEU 51 -7.477 -11.443 -11.425 432 1HD1 LEU 51 1HD1 LEU 51 -9.107 -10.643 -13.660 433 2HD1 LEU 51 2HD1 LEU 51 -9.957 -11.878 -12.731 434 3HD1 LEU 51 3HD1 LEU 51 -8.341 -12.203 -13.359 435 1HD2 LEU 51 1HD2 LEU 51 -7.606 -9.262 -12.816 436 2HD2 LEU 51 2HD2 LEU 51 -7.353 -9.100 -11.078 437 3HD2 LEU 51 3HD2 LEU 51 -8.955 -8.830 -11.764 438 H LEU 52 H LEU 52 -13.122 -9.892 -11.386 439 HA LEU 52 HA LEU 52 -14.329 -11.693 -9.510 440 1HB LEU 52 2HB LEU 52 -15.469 -9.742 -10.640 441 2HB LEU 52 1HB LEU 52 -15.529 -10.711 -12.113 442 HG LEU 52 HG LEU 52 -16.512 -12.429 -10.157 443 1HD1 LEU 52 1HD1 LEU 52 -17.135 -11.073 -8.442 444 2HD1 LEU 52 2HD1 LEU 52 -18.460 -10.601 -9.507 445 3HD1 LEU 52 3HD1 LEU 52 -17.000 -9.616 -9.427 446 1HD2 LEU 52 1HD2 LEU 52 -18.353 -10.663 -11.746 447 2HD2 LEU 52 2HD2 LEU 52 -18.440 -12.402 -11.474 448 3HD2 LEU 52 3HD2 LEU 52 -17.250 -11.745 -12.596 449 H GLY 53 H GLY 53 -14.590 -13.875 -9.638 450 1HA GLY 53 2HA GLY 53 -15.208 -15.872 -10.934 451 2HA GLY 53 1HA GLY 53 -14.378 -15.166 -12.322 452 H TYR 54 H TYR 54 -12.094 -14.273 -10.662 453 HA TYR 54 HA TYR 54 -10.727 -16.911 -10.491 454 1HB TYR 54 2HB TYR 54 -9.947 -14.577 -11.703 455 2HB TYR 54 1HB TYR 54 -9.128 -14.454 -10.146 456 HD1 TYR 54 HD1 TYR 54 -9.449 -16.413 -13.252 457 HD2 TYR 54 HD2 TYR 54 -7.417 -16.061 -9.482 458 HE1 TYR 54 HE1 TYR 54 -7.751 -18.052 -14.015 459 HE2 TYR 54 HE2 TYR 54 -5.718 -17.700 -10.245 460 HH TYR 54 HH TYR 54 -4.971 -18.409 -13.033 461 H GLU 55 H GLU 55 -12.390 -16.566 -8.374 462 HA GLU 55 HA GLU 55 -12.305 -16.724 -6.028 463 1HB GLU 55 2HB GLU 55 -9.570 -16.988 -6.853 464 2HB GLU 55 1HB GLU 55 -9.635 -15.965 -5.417 465 1HG GLU 55 2HG GLU 55 -11.375 -18.359 -5.341 466 2HG GLU 55 1HG GLU 55 -9.642 -18.685 -5.325 467 H GLY 56 H GLY 56 -10.794 -15.086 -4.249 468 1HA GLY 56 2HA GLY 56 -12.219 -12.554 -4.655 469 2HA GLY 56 1HA GLY 56 -11.257 -12.988 -3.241 470 H HIS 57 H HIS 57 -9.617 -13.616 -6.144 471 HA HIS 57 HA HIS 57 -7.399 -12.036 -5.697 472 1HB HIS 57 2HB HIS 57 -8.524 -13.403 -7.962 473 2HB HIS 57 1HB HIS 57 -7.859 -11.859 -8.493 474 HD1 HIS 57 HD1 HIS 57 -6.406 -14.438 -9.305 475 HD2 HIS 57 HD2 HIS 57 -5.505 -12.304 -5.840 476 HE1 HIS 57 HE1 HIS 57 -4.035 -15.068 -8.672 477 H GLU 58 H GLU 58 -7.451 -9.913 -5.101 478 HA GLU 58 HA GLU 58 -9.147 -8.067 -6.734 479 1HB GLU 58 2HB GLU 58 -9.355 -8.421 -4.063 480 2HB GLU 58 1HB GLU 58 -8.109 -7.171 -4.095 481 1HG GLU 58 2HG GLU 58 -9.533 -5.718 -5.430 482 2HG GLU 58 1HG GLU 58 -10.753 -6.985 -5.568 483 H CYS 59 H CYS 59 -7.833 -7.108 -8.207 484 HA CYS 59 HA CYS 59 -5.052 -6.425 -7.395 485 1HB CYS 59 2HB CYS 59 -6.264 -6.301 -10.167 486 2HB CYS 59 1HB CYS 59 -4.552 -6.257 -9.745 487 HG CYS 59 HG CYS 59 -6.330 -8.805 -9.347 488 H ILE 60 H ILE 60 -4.245 -4.281 -7.903 489 HA ILE 60 HA ILE 60 -6.390 -2.209 -8.140 490 HB ILE 60 HB ILE 60 -4.872 -0.787 -6.675 491 1HG1 ILE 60 2HG1 ILE 60 -3.645 -3.254 -5.579 492 2HG1 ILE 60 1HG1 ILE 60 -3.025 -2.733 -7.146 493 1HG2 ILE 60 1HG2 ILE 60 -5.588 -1.905 -4.575 494 2HG2 ILE 60 2HG2 ILE 60 -5.999 -3.348 -5.502 495 3HG2 ILE 60 3HG2 ILE 60 -6.887 -1.847 -5.765 496 1HD1 ILE 60 1HD1 ILE 60 -2.969 -1.281 -4.514 497 2HD1 ILE 60 2HD1 ILE 60 -2.927 -0.366 -6.021 498 3HD1 ILE 60 3HD1 ILE 60 -1.660 -1.540 -5.667 499 H LEU 61 H LEU 61 -5.954 -0.641 -9.694 500 HA LEU 61 HA LEU 61 -3.410 -0.987 -11.188 501 1HB LEU 61 2HB LEU 61 -5.690 -0.966 -12.349 502 2HB LEU 61 1HB LEU 61 -5.742 0.759 -11.985 503 HG LEU 61 HG LEU 61 -3.166 0.048 -13.092 504 1HD1 LEU 61 1HD1 LEU 61 -3.733 -0.825 -15.193 505 2HD1 LEU 61 2HD1 LEU 61 -5.424 -0.348 -15.043 506 3HD1 LEU 61 3HD1 LEU 61 -4.808 -1.716 -14.116 507 1HD2 LEU 61 1HD2 LEU 61 -3.554 2.244 -13.504 508 2HD2 LEU 61 2HD2 LEU 61 -5.301 2.045 -13.366 509 3HD2 LEU 61 3HD2 LEU 61 -4.489 1.686 -14.890 510 H LEU 62 H LEU 62 -1.812 0.475 -11.035 511 HA LEU 62 HA LEU 62 -2.313 3.297 -10.514 512 1HB LEU 62 2HB LEU 62 -2.412 1.928 -8.237 513 2HB LEU 62 1HB LEU 62 -0.656 2.007 -8.379 514 HG LEU 62 HG LEU 62 -2.536 4.386 -8.460 515 1HD1 LEU 62 1HD1 LEU 62 -0.806 3.156 -6.326 516 2HD1 LEU 62 2HD1 LEU 62 -2.463 3.747 -6.205 517 3HD1 LEU 62 3HD1 LEU 62 -1.125 4.891 -6.315 518 1HD2 LEU 62 1HD2 LEU 62 -0.712 5.065 -9.743 519 2HD2 LEU 62 2HD2 LEU 62 0.416 4.022 -8.876 520 3HD2 LEU 62 3HD2 LEU 62 -0.167 5.508 -8.125 521 H ASP 63 H ASP 63 -0.013 0.608 -10.665 522 HA ASP 63 HA ASP 63 2.405 1.996 -10.889 523 1HB ASP 63 2HB ASP 63 1.541 -0.403 -12.535 524 2HB ASP 63 1HB ASP 63 3.205 0.111 -12.251 525 H TYR 64 H TYR 64 0.098 1.234 -13.525 526 HA TYR 64 HA TYR 64 1.617 2.977 -15.356 527 1HB TYR 64 2HB TYR 64 0.223 0.746 -15.856 528 2HB TYR 64 1HB TYR 64 -1.072 1.921 -16.095 529 HD1 TYR 64 HD1 TYR 64 2.383 1.012 -17.154 530 HD2 TYR 64 HD2 TYR 64 -1.141 3.312 -18.024 531 HE1 TYR 64 HE1 TYR 64 3.309 1.585 -19.383 532 HE2 TYR 64 HE2 TYR 64 -0.217 3.884 -20.254 533 HH TYR 64 HH TYR 64 3.060 2.903 -21.193 534 H LEU 65 H LEU 65 0.583 4.349 -13.094 535 HA LEU 65 HA LEU 65 -1.897 5.589 -13.288 536 1HB LEU 65 2HB LEU 65 -0.505 6.191 -11.449 537 2HB LEU 65 1HB LEU 65 0.801 6.716 -12.511 538 HG LEU 65 HG LEU 65 -1.753 8.112 -12.969 539 1HD1 LEU 65 1HD1 LEU 65 -0.283 9.052 -10.553 540 2HD1 LEU 65 2HD1 LEU 65 -1.345 7.659 -10.349 541 3HD1 LEU 65 3HD1 LEU 65 -1.996 9.184 -10.948 542 1HD2 LEU 65 1HD2 LEU 65 0.412 8.726 -14.014 543 2HD2 LEU 65 2HD2 LEU 65 1.082 9.045 -12.415 544 3HD2 LEU 65 3HD2 LEU 65 -0.230 10.046 -13.036 545 H ASN 66 H ASN 66 1.017 6.267 -15.193 546 HA ASN 66 HA ASN 66 1.250 7.402 -17.232 547 1HB ASN 66 2HB ASN 66 -0.976 6.055 -17.612 548 2HB ASN 66 1HB ASN 66 -1.738 7.637 -17.444 549 1HD2 ASN 66 1HD2 ASN 66 -2.205 8.258 -19.577 550 2HD2 ASN 66 2HD2 ASN 66 -1.072 8.269 -20.841 551 H TYR 67 H TYR 67 1.787 9.525 -17.402 552 HA TYR 67 HA TYR 67 0.748 11.463 -15.520 553 1HB TYR 67 2HB TYR 67 2.795 11.391 -17.645 554 2HB TYR 67 1HB TYR 67 2.027 12.963 -17.427 555 HD1 TYR 67 HD1 TYR 67 4.788 11.189 -16.465 556 HD2 TYR 67 HD2 TYR 67 1.523 13.357 -14.702 557 HE1 TYR 67 HE1 TYR 67 6.142 11.566 -14.420 558 HE2 TYR 67 HE2 TYR 67 2.878 13.735 -12.657 559 HH TYR 67 HH TYR 67 6.203 12.460 -12.395 560 H ARG 68 H ARG 68 0.052 13.712 -16.545 561 HA ARG 68 HA ARG 68 -1.444 13.696 -18.996 562 1HB ARG 68 2HB ARG 68 -2.802 12.202 -17.308 563 2HB ARG 68 1HB ARG 68 -3.267 13.755 -16.609 564 1HG ARG 68 2HG ARG 68 -4.703 14.162 -18.296 565 2HG ARG 68 1HG ARG 68 -3.459 13.833 -19.502 566 1HD ARG 68 2HD ARG 68 -4.123 11.327 -18.397 567 2HD ARG 68 1HD ARG 68 -5.659 12.154 -18.661 568 HE ARG 68 HE ARG 68 -3.975 12.445 -20.974 569 1HH1 ARG 68 1HH2 ARG 68 -6.560 10.775 -19.539 570 2HH1 ARG 68 2HH2 ARG 68 -6.673 9.568 -20.775 571 1HH2 ARG 68 2HH1 ARG 68 -3.832 10.637 -22.451 572 2HH2 ARG 68 1HH1 ARG 68 -5.131 9.490 -22.424 573 H GLN 69 H GLN 69 -2.312 15.797 -19.427 574 HA GLN 69 HA GLN 69 -1.556 17.844 -17.381 575 1HB GLN 69 2HB GLN 69 -0.909 17.600 -20.179 576 2HB GLN 69 1HB GLN 69 -1.843 19.073 -19.918 577 1HG GLN 69 2HG GLN 69 0.571 19.497 -19.627 578 2HG GLN 69 1HG GLN 69 -0.300 19.738 -18.112 579 1HE2 GLN 69 1HE2 GLN 69 0.484 16.545 -19.502 580 2HE2 GLN 69 2HE2 GLN 69 1.543 16.081 -18.259 581 H ASP 70 H ASP 70 -3.856 17.225 -20.056 582 HA ASP 70 HA ASP 70 -5.675 19.302 -19.133 583 1HB ASP 70 2HB ASP 70 -5.383 17.710 -21.459 584 2HB ASP 70 1HB ASP 70 -6.975 17.338 -20.795 585 H THR 71 H THR 71 -8.121 18.442 -18.885 586 HA THR 71 HA THR 71 -8.121 16.070 -17.078 587 HB THR 71 HB THR 71 -9.489 17.273 -15.446 588 HG1 THR 71 HG1 THR 71 -9.404 19.205 -17.460 589 1HG2 THR 71 1HG2 THR 71 -7.475 17.774 -14.570 590 2HG2 THR 71 2HG2 THR 71 -7.615 19.348 -15.352 591 3HG2 THR 71 3HG2 THR 71 -6.776 18.031 -16.169 592 H LEU 72 H LEU 72 -9.008 15.439 -19.390 593 HA LEU 72 HA LEU 72 -11.946 16.001 -19.448 594 1HB LEU 72 2HB LEU 72 -9.917 15.541 -21.609 595 2HB LEU 72 1HB LEU 72 -11.593 15.067 -21.895 596 HG LEU 72 HG LEU 72 -10.847 17.810 -20.865 597 1HD1 LEU 72 1HD1 LEU 72 -10.956 16.738 -23.676 598 2HD1 LEU 72 2HD1 LEU 72 -9.771 17.823 -22.950 599 3HD1 LEU 72 3HD1 LEU 72 -11.382 18.417 -23.353 600 1HD2 LEU 72 1HD2 LEU 72 -13.150 17.327 -20.506 601 2HD2 LEU 72 2HD2 LEU 72 -13.305 16.523 -22.069 602 3HD2 LEU 72 3HD2 LEU 72 -13.114 18.275 -21.993 603 H ASP 73 H ASP 73 -11.401 14.125 -17.653 604 HA ASP 73 HA ASP 73 -11.638 11.499 -19.057 605 1HB ASP 73 2HB ASP 73 -11.008 12.031 -16.138 606 2HB ASP 73 1HB ASP 73 -10.929 10.476 -16.966 607 H ARG 74 H ARG 74 -13.873 13.278 -18.914 608 HA ARG 74 HA ARG 74 -15.587 12.471 -16.699 609 1HB ARG 74 2HB ARG 74 -15.694 14.349 -18.917 610 2HB ARG 74 1HB ARG 74 -17.213 13.467 -18.752 611 1HG ARG 74 2HG ARG 74 -15.952 14.477 -16.248 612 2HG ARG 74 1HG ARG 74 -16.693 15.671 -17.315 613 1HD ARG 74 2HD ARG 74 -18.711 14.017 -17.366 614 2HD ARG 74 1HD ARG 74 -17.982 13.342 -15.910 615 HE ARG 74 HE ARG 74 -18.242 16.229 -15.755 616 1HH1 ARG 74 1HH2 ARG 74 -18.610 14.578 -13.367 617 2HH1 ARG 74 2HH2 ARG 74 -20.329 14.555 -13.154 618 1HH2 ARG 74 2HH1 ARG 74 -21.009 15.610 -16.387 619 2HH2 ARG 74 1HH1 ARG 74 -21.686 15.138 -14.864 620 H LEU 75 H LEU 75 -15.248 11.576 -20.118 621 HA LEU 75 HA LEU 75 -17.521 9.810 -20.169 622 1HB LEU 75 2HB LEU 75 -16.464 10.717 -22.217 623 2HB LEU 75 1HB LEU 75 -15.016 9.768 -21.879 624 HG LEU 75 HG LEU 75 -16.922 7.832 -21.723 625 1HD1 LEU 75 1HD1 LEU 75 -18.293 10.013 -22.811 626 2HD1 LEU 75 2HD1 LEU 75 -18.809 8.328 -22.862 627 3HD1 LEU 75 3HD1 LEU 75 -17.892 9.011 -24.205 628 1HD2 LEU 75 1HD2 LEU 75 -16.274 7.364 -24.155 629 2HD2 LEU 75 2HD2 LEU 75 -14.934 7.547 -23.023 630 3HD2 LEU 75 3HD2 LEU 75 -15.366 8.875 -24.101 631 H LYS 76 H LYS 76 -14.115 9.366 -19.321 632 HA LYS 76 HA LYS 76 -14.191 6.491 -19.227 633 1HB LYS 76 2HB LYS 76 -12.303 8.587 -18.621 634 2HB LYS 76 1HB LYS 76 -12.326 7.410 -17.306 635 1HG LYS 76 2HG LYS 76 -11.314 5.838 -18.574 636 2HG LYS 76 1HG LYS 76 -12.409 6.123 -19.925 637 1HD LYS 76 2HD LYS 76 -11.057 8.250 -20.381 638 2HD LYS 76 1HD LYS 76 -9.863 7.608 -19.254 639 1HE LYS 76 2HE LYS 76 -9.351 7.023 -21.626 640 2HE LYS 76 1HE LYS 76 -9.601 5.599 -20.615 641 1HZ LYS 76 1HZ LYS 76 -10.854 6.046 -22.941 642 2HZ LYS 76 2HZ LYS 76 -11.997 6.650 -21.839 643 3HZ LYS 76 3HZ LYS 76 -11.454 5.045 -21.711 644 H GLU 77 H GLU 77 -15.173 8.992 -16.972 645 HA GLU 77 HA GLU 77 -15.237 7.457 -14.582 646 1HB GLU 77 2HB GLU 77 -16.581 9.899 -15.592 647 2HB GLU 77 1HB GLU 77 -17.419 9.056 -14.290 648 1HG GLU 77 2HG GLU 77 -14.662 9.091 -13.607 649 2HG GLU 77 1HG GLU 77 -15.084 10.724 -14.124 650 H ARG 78 H ARG 78 -17.729 7.874 -17.109 651 HA ARG 78 HA ARG 78 -19.556 6.007 -15.827 652 1HB ARG 78 2HB ARG 78 -20.402 7.778 -17.306 653 2HB ARG 78 1HB ARG 78 -19.501 7.096 -18.659 654 1HG ARG 78 2HG ARG 78 -21.128 5.597 -19.067 655 2HG ARG 78 1HG ARG 78 -21.101 5.047 -17.391 656 1HD ARG 78 2HD ARG 78 -23.058 6.088 -17.019 657 2HD ARG 78 1HD ARG 78 -22.312 7.630 -17.436 658 HE ARG 78 HE ARG 78 -23.661 5.837 -19.413 659 1HH1 ARG 78 1HH2 ARG 78 -21.777 7.767 -20.642 660 2HH1 ARG 78 2HH2 ARG 78 -22.780 9.149 -20.929 661 1HH2 ARG 78 2HH1 ARG 78 -25.288 8.107 -18.772 662 2HH2 ARG 78 1HH1 ARG 78 -24.768 9.342 -19.871 663 H LEU 79 H LEU 79 -16.997 5.800 -18.219 664 HA LEU 79 HA LEU 79 -17.668 3.197 -19.245 665 1HB LEU 79 2HB LEU 79 -15.971 4.963 -20.151 666 2HB LEU 79 1HB LEU 79 -14.839 4.214 -19.023 667 HG LEU 79 HG LEU 79 -16.446 2.504 -20.907 668 1HD1 LEU 79 1HD1 LEU 79 -14.638 4.520 -21.740 669 2HD1 LEU 79 2HD1 LEU 79 -15.314 3.216 -22.717 670 3HD1 LEU 79 3HD1 LEU 79 -13.777 2.987 -21.884 671 1HD2 LEU 79 1HD2 LEU 79 -13.768 1.646 -20.515 672 2HD2 LEU 79 2HD2 LEU 79 -15.235 0.918 -19.862 673 3HD2 LEU 79 3HD2 LEU 79 -14.374 2.149 -18.938 674 H VAL 80 H VAL 80 -16.055 4.312 -16.355 675 HA VAL 80 HA VAL 80 -14.486 2.212 -15.516 676 HB VAL 80 HB VAL 80 -16.608 3.505 -13.784 677 1HG1 VAL 80 1HG1 VAL 80 -14.958 3.031 -11.977 678 2HG1 VAL 80 2HG1 VAL 80 -13.964 2.167 -13.149 679 3HG1 VAL 80 3HG1 VAL 80 -15.568 1.561 -12.737 680 1HG2 VAL 80 1HG2 VAL 80 -15.431 5.425 -13.919 681 2HG2 VAL 80 2HG2 VAL 80 -14.438 4.687 -15.175 682 3HG2 VAL 80 3HG2 VAL 80 -13.948 4.578 -13.485 683 H GLY 81 H GLY 81 -15.001 0.339 -14.086 684 1HA GLY 81 2HA GLY 81 -16.367 -1.502 -13.433 685 2HA GLY 81 1HA GLY 81 -17.719 -0.769 -14.298 686 H ARG 82 H ARG 82 -16.824 -0.460 -16.830 687 HA ARG 82 HA ARG 82 -17.170 -2.857 -18.131 688 1HB ARG 82 2HB ARG 82 -16.925 -0.605 -19.216 689 2HB ARG 82 1HB ARG 82 -15.177 -0.757 -19.025 690 1HG ARG 82 2HG ARG 82 -15.076 -2.635 -20.482 691 2HG ARG 82 1HG ARG 82 -16.825 -2.860 -20.435 692 1HD ARG 82 2HD ARG 82 -16.465 -0.221 -21.309 693 2HD ARG 82 1HD ARG 82 -15.249 -1.156 -22.179 694 HE ARG 82 HE ARG 82 -17.088 -1.794 -23.509 695 1HH1 ARG 82 1HH2 ARG 82 -18.488 -0.677 -20.696 696 2HH1 ARG 82 2HH2 ARG 82 -19.802 -1.805 -20.679 697 1HH2 ARG 82 2HH1 ARG 82 -18.529 -3.729 -23.269 698 2HH2 ARG 82 1HH1 ARG 82 -19.824 -3.534 -22.134 699 H VAL 83 H VAL 83 -15.605 -4.311 -19.232 700 HA VAL 83 HA VAL 83 -13.310 -4.896 -17.432 701 HB VAL 83 HB VAL 83 -14.752 -6.543 -19.529 702 1HG1 VAL 83 1HG1 VAL 83 -13.008 -8.211 -18.137 703 2HG1 VAL 83 2HG1 VAL 83 -12.039 -6.774 -18.471 704 3HG1 VAL 83 3HG1 VAL 83 -12.801 -7.651 -19.798 705 1HG2 VAL 83 1HG2 VAL 83 -15.264 -7.973 -17.573 706 2HG2 VAL 83 2HG2 VAL 83 -15.865 -6.332 -17.333 707 3HG2 VAL 83 3HG2 VAL 83 -14.384 -6.855 -16.530 708 H ILE 84 H ILE 84 -11.194 -4.877 -18.212 709 HA ILE 84 HA ILE 84 -10.802 -4.322 -21.112 710 HB ILE 84 HB ILE 84 -9.360 -2.455 -20.704 711 1HG1 ILE 84 2HG1 ILE 84 -8.295 -3.431 -18.662 712 2HG1 ILE 84 1HG1 ILE 84 -8.716 -1.730 -18.469 713 1HG2 ILE 84 1HG2 ILE 84 -11.076 -1.036 -20.380 714 2HG2 ILE 84 2HG2 ILE 84 -11.254 -1.541 -18.701 715 3HG2 ILE 84 3HG2 ILE 84 -12.068 -2.436 -19.982 716 1HD1 ILE 84 1HD1 ILE 84 -11.018 -3.052 -17.655 717 2HD1 ILE 84 2HD1 ILE 84 -9.797 -2.361 -16.587 718 3HD1 ILE 84 3HD1 ILE 84 -9.722 -4.067 -17.026 719 H LYS 85 H LYS 85 -8.290 -4.337 -21.534 720 HA LYS 85 HA LYS 85 -7.241 -6.773 -20.187 721 1HB LYS 85 2HB LYS 85 -7.207 -5.793 -22.887 722 2HB LYS 85 1HB LYS 85 -5.545 -5.944 -22.317 723 1HG LYS 85 2HG LYS 85 -6.188 -8.264 -21.466 724 2HG LYS 85 1HG LYS 85 -7.675 -8.088 -22.399 725 1HD LYS 85 2HD LYS 85 -6.097 -9.243 -23.804 726 2HD LYS 85 1HD LYS 85 -6.229 -7.596 -24.421 727 1HE LYS 85 2HE LYS 85 -4.098 -7.047 -23.799 728 2HE LYS 85 1HE LYS 85 -4.164 -8.031 -22.336 729 1HZ LYS 85 1HZ LYS 85 -3.710 -9.966 -23.532 730 2HZ LYS 85 2HZ LYS 85 -2.651 -8.815 -24.195 731 3HZ LYS 85 3HZ LYS 85 -4.066 -9.249 -25.028 732 H THR 86 H THR 86 -5.588 -6.573 -18.745 733 HA THR 86 HA THR 86 -3.806 -4.197 -18.949 734 HB THR 86 HB THR 86 -3.967 -3.819 -16.526 735 HG1 THR 86 HG1 THR 86 -5.979 -5.039 -15.683 736 1HG2 THR 86 1HG2 THR 86 -5.687 -2.430 -16.928 737 2HG2 THR 86 2HG2 THR 86 -6.819 -3.781 -16.975 738 3HG2 THR 86 3HG2 THR 86 -5.969 -3.292 -18.440 739 H ARG 87 H ARG 87 -1.904 -4.534 -17.297 740 HA ARG 87 HA ARG 87 -1.050 -7.379 -17.573 741 1HB ARG 87 2HB ARG 87 0.783 -5.087 -16.891 742 2HB ARG 87 1HB ARG 87 1.175 -6.619 -17.671 743 1HG ARG 87 2HG ARG 87 -0.514 -4.415 -18.891 744 2HG ARG 87 1HG ARG 87 1.164 -4.764 -19.306 745 1HD ARG 87 2HD ARG 87 -0.176 -7.230 -19.498 746 2HD ARG 87 1HD ARG 87 -1.253 -6.055 -20.252 747 HE ARG 87 HE ARG 87 0.398 -5.675 -21.936 748 1HH1 ARG 87 1HH2 ARG 87 2.516 -6.073 -19.559 749 2HH1 ARG 87 2HH2 ARG 87 3.495 -7.296 -20.299 750 1HH2 ARG 87 2HH1 ARG 87 1.218 -7.962 -22.827 751 2HH2 ARG 87 1HH1 ARG 87 2.761 -8.365 -22.150 752 H VAL 88 H VAL 88 0.232 -8.274 -15.749 753 HA VAL 88 HA VAL 88 -0.907 -7.368 -13.158 754 HB VAL 88 HB VAL 88 0.515 -9.911 -13.997 755 1HG1 VAL 88 1HG1 VAL 88 1.035 -10.225 -11.828 756 2HG1 VAL 88 2HG1 VAL 88 -0.689 -10.200 -11.453 757 3HG1 VAL 88 3HG1 VAL 88 0.249 -8.708 -11.386 758 1HG2 VAL 88 1HG2 VAL 88 -2.328 -9.176 -13.275 759 2HG2 VAL 88 2HG2 VAL 88 -1.760 -10.845 -13.244 760 3HG2 VAL 88 3HG2 VAL 88 -1.743 -9.936 -14.755 761 H VAL 89 H VAL 89 0.340 -5.964 -12.051 762 HA VAL 89 HA VAL 89 3.155 -5.614 -12.625 763 HB VAL 89 HB VAL 89 1.339 -4.503 -10.482 764 1HG1 VAL 89 1HG1 VAL 89 3.450 -4.382 -9.451 765 2HG1 VAL 89 2HG1 VAL 89 3.327 -2.829 -10.278 766 3HG1 VAL 89 3HG1 VAL 89 4.285 -4.130 -10.983 767 1HG2 VAL 89 1HG2 VAL 89 2.693 -3.009 -12.718 768 2HG2 VAL 89 2HG2 VAL 89 1.233 -2.580 -11.827 769 3HG2 VAL 89 3HG2 VAL 89 1.191 -3.885 -13.012 770 H ARG 90 H ARG 90 1.330 -7.153 -9.978 771 HA ARG 90 HA ARG 90 3.409 -8.999 -9.372 772 1HB ARG 90 2HB ARG 90 4.104 -6.481 -8.501 773 2HB ARG 90 1HB ARG 90 3.352 -7.175 -7.065 774 1HG ARG 90 2HG ARG 90 5.296 -8.855 -8.599 775 2HG ARG 90 1HG ARG 90 5.928 -7.569 -7.571 776 1HD ARG 90 2HD ARG 90 4.069 -9.797 -6.693 777 2HD ARG 90 1HD ARG 90 5.781 -9.657 -6.296 778 HE ARG 90 HE ARG 90 3.634 -8.270 -4.960 779 1HH1 ARG 90 2HH1 ARG 90 6.560 -8.951 -4.111 780 2HH1 ARG 90 1HH1 ARG 90 7.159 -7.355 -3.805 781 1HH2 ARG 90 1HH2 ARG 90 4.531 -5.773 -5.424 782 2HH2 ARG 90 2HH2 ARG 90 6.009 -5.555 -4.548 783 H ALA 91 H ALA 91 1.790 -10.506 -9.003 784 HA ALA 91 HA ALA 91 -0.386 -9.857 -7.108 785 1HB ALA 91 1HB ALA 91 0.177 -12.427 -8.621 786 2HB ALA 91 2HB ALA 91 -0.880 -11.136 -9.191 787 3HB ALA 91 3HB ALA 91 -1.299 -12.043 -7.738 788 H ASP 92 H ASP 92 -0.147 -10.279 -4.965 789 HA ASP 92 HA ASP 92 1.884 -12.333 -4.183 790 1HB ASP 92 2HB ASP 92 1.850 -9.667 -3.496 791 2HB ASP 92 1HB ASP 92 1.049 -10.417 -2.113 792 H GLY 93 H GLY 93 -1.404 -11.770 -4.343 793 1HA GLY 93 2HA GLY 93 -2.358 -14.062 -3.248 794 2HA GLY 93 1HA GLY 93 -2.092 -13.089 -1.802 795 H LEU 94 H LEU 94 -3.785 -11.847 -1.175 796 HA LEU 94 HA LEU 94 -6.157 -11.665 -2.854 797 1HB LEU 94 2HB LEU 94 -5.438 -11.103 -0.070 798 2HB LEU 94 1HB LEU 94 -6.538 -9.902 -0.749 799 HG LEU 94 HG LEU 94 -7.443 -12.447 -1.630 800 1HD1 LEU 94 1HD1 LEU 94 -7.459 -12.480 1.353 801 2HD1 LEU 94 2HD1 LEU 94 -5.976 -12.991 0.548 802 3HD1 LEU 94 3HD1 LEU 94 -7.492 -13.826 0.214 803 1HD2 LEU 94 1HD2 LEU 94 -9.229 -11.695 0.269 804 2HD2 LEU 94 2HD2 LEU 94 -9.157 -10.956 -1.330 805 3HD2 LEU 94 3HD2 LEU 94 -8.369 -10.172 0.040 806 H TYR 95 H TYR 95 -3.660 -9.402 -1.741 807 HA TYR 95 HA TYR 95 -4.865 -7.288 -3.453 808 1HB TYR 95 2HB TYR 95 -2.729 -7.239 -1.308 809 2HB TYR 95 1HB TYR 95 -3.072 -5.850 -2.339 810 HD1 TYR 95 HD1 TYR 95 -5.037 -8.399 -0.394 811 HD2 TYR 95 HD2 TYR 95 -4.511 -4.265 -1.445 812 HE1 TYR 95 HE1 TYR 95 -6.949 -7.786 1.063 813 HE2 TYR 95 HE2 TYR 95 -6.422 -3.652 0.014 814 HH TYR 95 HH TYR 95 -7.769 -4.418 1.699 815 H VAL 96 H VAL 96 -3.996 -6.900 -5.435 816 HA VAL 96 HA VAL 96 -1.173 -7.775 -5.910 817 HB VAL 96 HB VAL 96 -3.559 -8.078 -7.757 818 1HG1 VAL 96 1HG1 VAL 96 -0.591 -8.359 -8.189 819 2HG1 VAL 96 2HG1 VAL 96 -1.786 -7.563 -9.211 820 3HG1 VAL 96 3HG1 VAL 96 -1.726 -9.324 -9.133 821 1HG2 VAL 96 1HG2 VAL 96 -3.683 -9.938 -6.389 822 2HG2 VAL 96 2HG2 VAL 96 -1.959 -9.908 -6.018 823 3HG2 VAL 96 3HG2 VAL 96 -2.516 -10.531 -7.570 824 H ASP 97 H ASP 97 -0.162 -6.599 -7.770 825 HA ASP 97 HA ASP 97 -1.113 -3.780 -7.818 826 1HB ASP 97 2HB ASP 97 1.535 -5.108 -8.415 827 2HB ASP 97 1HB ASP 97 1.202 -3.457 -8.939 828 H LEU 98 H LEU 98 -1.286 -2.692 -9.927 829 HA LEU 98 HA LEU 98 -1.444 -4.571 -12.236 830 1HB LEU 98 2HB LEU 98 -3.670 -3.543 -10.853 831 2HB LEU 98 1HB LEU 98 -3.566 -2.609 -12.345 832 HG LEU 98 HG LEU 98 -4.923 -4.743 -12.520 833 1HD1 LEU 98 1HD1 LEU 98 -2.565 -4.045 -14.227 834 2HD1 LEU 98 2HD1 LEU 98 -4.283 -3.964 -14.608 835 3HD1 LEU 98 3HD1 LEU 98 -3.455 -5.522 -14.594 836 1HD2 LEU 98 1HD2 LEU 98 -2.302 -6.203 -12.630 837 2HD2 LEU 98 2HD2 LEU 98 -3.916 -6.833 -12.302 838 3HD2 LEU 98 3HD2 LEU 98 -3.054 -5.926 -11.060 839 H ARG 99 H ARG 99 -0.749 -3.752 -14.127 840 HA ARG 99 HA ARG 99 -0.327 -0.804 -14.343 841 1HB ARG 99 2HB ARG 99 1.858 -1.696 -13.855 842 2HB ARG 99 1HB ARG 99 1.634 -3.025 -14.993 843 1HG ARG 99 2HG ARG 99 1.201 -0.702 -16.506 844 2HG ARG 99 1HG ARG 99 2.590 -0.327 -15.488 845 1HD ARG 99 2HD ARG 99 2.522 -3.002 -16.815 846 2HD ARG 99 1HD ARG 99 2.880 -1.596 -17.818 847 HE ARG 99 HE ARG 99 4.691 -2.792 -15.941 848 1HH1 ARG 99 1HH2 ARG 99 3.954 -0.057 -17.818 849 2HH1 ARG 99 2HH2 ARG 99 5.216 0.929 -17.158 850 1HH2 ARG 99 2HH1 ARG 99 6.148 -1.400 -14.765 851 2HH2 ARG 99 1HH1 ARG 99 6.457 0.170 -15.429 852 H ARG 100 H ARG 100 -1.781 -0.288 -15.934 853 HA ARG 100 HA ARG 100 -2.574 -2.156 -17.997 854 1HB ARG 100 2HB ARG 100 -3.762 -0.197 -18.969 855 2HB ARG 100 1HB ARG 100 -4.101 -0.391 -17.250 856 1HG ARG 100 2HG ARG 100 -3.084 1.561 -16.707 857 2HG ARG 100 1HG ARG 100 -1.741 1.274 -17.815 858 1HD ARG 100 2HD ARG 100 -2.702 2.976 -18.999 859 2HD ARG 100 1HD ARG 100 -3.751 1.690 -19.593 860 HE ARG 100 HE ARG 100 -4.997 2.556 -17.270 861 1HH1 ARG 100 2HH1 ARG 100 -5.953 2.946 -20.174 862 2HH1 ARG 100 1HH1 ARG 100 -6.212 4.659 -20.194 863 1HH2 ARG 100 1HH2 ARG 100 -4.425 5.233 -17.280 864 2HH2 ARG 100 2HH2 ARG 100 -5.349 5.953 -18.556 865 H PHE 101 H PHE 101 -2.357 -1.480 -20.391 866 HA PHE 101 HA PHE 101 0.193 -0.082 -20.965 867 1HB PHE 101 2HB PHE 101 0.712 -2.524 -20.662 868 2HB PHE 101 1HB PHE 101 -0.380 -2.871 -22.004 869 HD1 PHE 101 HD1 PHE 101 2.947 -1.876 -21.064 870 HD2 PHE 101 HD2 PHE 101 0.074 -1.722 -24.257 871 HE1 PHE 101 HE1 PHE 101 4.765 -1.374 -22.676 872 HE2 PHE 101 HE2 PHE 101 1.893 -1.220 -25.869 873 HZ PHE 101 HZ PHE 101 4.238 -1.046 -25.078 874 H PHE 102 HN PHE 102 -0.854 1.510 -22.164 875 HA PHE 102 HA PHE 102 -2.147 2.445 -23.900 876 1HB PHE 102 2HB PHE 102 -0.527 0.222 -25.045 877 2HB PHE 102 1HB PHE 102 -1.796 0.894 -26.070 878 HD1 PHE 102 HD1 PHE 102 1.408 1.536 -24.406 879 HD2 PHE 102 HD2 PHE 102 -1.766 3.274 -26.723 880 HE1 PHE 102 HE1 PHE 102 2.847 3.494 -24.910 881 HE2 PHE 102 HE2 PHE 102 -0.327 5.232 -27.227 882 HZ PHE 102 HZ PHE 102 1.979 5.342 -26.320 Start of MODEL 19 1 1H MET 1 1H MET 1 -20.557 -19.482 -34.672 2 2H MET 1 2H MET 1 -20.758 -18.028 -35.527 3 3H MET 1 3H MET 1 -20.173 -18.005 -33.933 4 HA MET 1 HA MET 1 -18.434 -17.664 -35.660 5 1HB MET 1 2HB MET 1 -18.460 -19.386 -33.354 6 2HB MET 1 1HB MET 1 -17.361 -20.052 -34.564 7 1HG MET 1 2HG MET 1 -17.304 -17.123 -33.842 8 2HG MET 1 1HG MET 1 -16.395 -18.315 -32.912 9 1HE MET 1 1HE MET 1 -15.435 -15.828 -35.948 10 2HE MET 1 2HE MET 1 -14.068 -16.193 -34.898 11 3HE MET 1 3HE MET 1 -15.653 -15.879 -34.194 12 H THR 2 H THR 2 -18.506 -18.124 -37.826 13 HA THR 2 HA THR 2 -19.349 -20.700 -38.860 14 HB THR 2 HB THR 2 -17.974 -19.511 -40.927 15 HG1 THR 2 HG1 THR 2 -17.738 -17.477 -40.529 16 1HG2 THR 2 1HG2 THR 2 -20.768 -18.714 -40.094 17 2HG2 THR 2 2HG2 THR 2 -20.386 -20.306 -40.748 18 3HG2 THR 2 3HG2 THR 2 -20.130 -18.865 -41.731 19 H VAL 3 H VAL 3 -18.080 -22.464 -39.362 20 HA VAL 3 HA VAL 3 -15.173 -22.188 -39.643 21 HB VAL 3 HB VAL 3 -15.408 -22.271 -37.198 22 1HG1 VAL 3 1HG1 VAL 3 -17.414 -23.328 -36.695 23 2HG1 VAL 3 2HG1 VAL 3 -16.280 -24.643 -36.389 24 3HG1 VAL 3 3HG1 VAL 3 -17.174 -24.586 -37.907 25 1HG2 VAL 3 1HG2 VAL 3 -13.854 -24.029 -36.812 26 2HG2 VAL 3 2HG2 VAL 3 -13.577 -23.551 -38.486 27 3HG2 VAL 3 3HG2 VAL 3 -14.509 -25.004 -38.126 28 H ILE 4 H ILE 4 -14.252 -24.019 -40.647 29 HA ILE 4 HA ILE 4 -16.096 -26.288 -41.236 30 HB ILE 4 HB ILE 4 -16.108 -24.709 -43.163 31 1HG1 ILE 4 2HG1 ILE 4 -14.605 -27.296 -43.682 32 2HG1 ILE 4 1HG1 ILE 4 -16.355 -27.152 -43.521 33 1HG2 ILE 4 1HG2 ILE 4 -13.233 -25.415 -43.664 34 2HG2 ILE 4 2HG2 ILE 4 -13.617 -24.069 -42.592 35 3HG2 ILE 4 3HG2 ILE 4 -14.165 -24.046 -44.269 36 1HD1 ILE 4 1HD1 ILE 4 -15.432 -25.209 -45.425 37 2HD1 ILE 4 2HD1 ILE 4 -16.533 -26.561 -45.683 38 3HD1 ILE 4 3HD1 ILE 4 -14.795 -26.793 -45.867 39 H LYS 5 H LYS 5 -14.954 -27.749 -39.953 40 HA LYS 5 HA LYS 5 -12.026 -27.993 -40.442 41 1HB LYS 5 2HB LYS 5 -13.406 -27.923 -38.079 42 2HB LYS 5 1HB LYS 5 -13.260 -29.660 -38.342 43 1HG LYS 5 2HG LYS 5 -10.884 -29.552 -38.440 44 2HG LYS 5 1HG LYS 5 -10.897 -27.794 -38.598 45 1HD LYS 5 2HD LYS 5 -12.207 -27.992 -36.267 46 2HD LYS 5 1HD LYS 5 -11.269 -29.483 -36.169 47 1HE LYS 5 2HE LYS 5 -9.254 -28.375 -36.055 48 2HE LYS 5 1HE LYS 5 -9.826 -27.018 -37.027 49 1HZ LYS 5 1HZ LYS 5 -10.876 -27.530 -34.313 50 2HZ LYS 5 2HZ LYS 5 -10.935 -26.094 -35.218 51 3HZ LYS 5 3HZ LYS 5 -9.463 -26.625 -34.556 52 HA PRO 6 HA PRO 6 -12.839 -31.733 -42.668 53 1HB PRO 6 2HB PRO 6 -10.230 -32.585 -42.808 54 2HB PRO 6 1HB PRO 6 -10.886 -31.284 -43.817 55 1HG PRO 6 2HG PRO 6 -9.057 -31.096 -41.473 56 2HG PRO 6 1HG PRO 6 -9.258 -29.977 -42.831 57 1HD PRO 6 2HD PRO 6 -10.327 -29.656 -40.218 58 2HD PRO 6 1HD PRO 6 -10.744 -28.692 -41.651 59 H SER 7 H SER 7 -10.486 -31.945 -39.975 60 HA SER 7 HA SER 7 -11.872 -33.747 -38.355 61 1HB SER 7 2HB SER 7 -10.645 -35.908 -38.994 62 2HB SER 7 1HB SER 7 -11.942 -35.399 -40.071 63 HG SER 7 HG SER 7 -9.826 -35.996 -41.035 64 H SER 8 H SER 8 -10.684 -33.988 -36.467 65 HA SER 8 HA SER 8 -7.802 -34.157 -36.424 66 1HB SER 8 2HB SER 8 -8.910 -31.533 -36.626 67 2HB SER 8 1HB SER 8 -8.264 -31.719 -34.999 68 HG SER 8 HG SER 8 -6.404 -32.728 -36.280 69 H ARG 9 H ARG 9 -7.831 -35.674 -34.808 70 HA ARG 9 HA ARG 9 -8.211 -36.631 -32.700 71 1HB ARG 9 2HB ARG 9 -7.936 -33.703 -32.240 72 2HB ARG 9 1HB ARG 9 -8.567 -34.667 -30.904 73 1HG ARG 9 2HG ARG 9 -6.393 -35.106 -30.431 74 2HG ARG 9 1HG ARG 9 -6.467 -36.212 -31.803 75 1HD ARG 9 2HD ARG 9 -6.059 -33.745 -33.003 76 2HD ARG 9 1HD ARG 9 -5.061 -33.657 -31.552 77 HE ARG 9 HE ARG 9 -4.650 -35.481 -33.824 78 1HH1 ARG 9 1HH2 ARG 9 -4.471 -37.135 -31.347 79 2HH1 ARG 9 2HH2 ARG 9 -2.805 -36.960 -30.905 80 1HH2 ARG 9 2HH1 ARG 9 -2.287 -34.181 -32.914 81 2HH2 ARG 9 1HH1 ARG 9 -1.569 -35.289 -31.794 82 HA PRO 10 HA PRO 10 -12.723 -36.406 -32.873 83 1HB PRO 10 2HB PRO 10 -13.071 -39.053 -32.217 84 2HB PRO 10 1HB PRO 10 -12.749 -38.488 -33.866 85 1HG PRO 10 2HG PRO 10 -10.910 -39.859 -31.959 86 2HG PRO 10 1HG PRO 10 -10.884 -39.847 -33.731 87 1HD PRO 10 2HD PRO 10 -9.210 -38.315 -32.041 88 2HD PRO 10 1HD PRO 10 -9.436 -38.071 -33.785 89 H ARG 11 H ARG 11 -14.182 -37.952 -31.051 90 HA ARG 11 HA ARG 11 -13.925 -36.469 -28.629 91 1HB ARG 11 2HB ARG 11 -15.605 -38.620 -29.656 92 2HB ARG 11 1HB ARG 11 -15.245 -38.833 -27.942 93 1HG ARG 11 2HG ARG 11 -16.588 -37.116 -27.362 94 2HG ARG 11 1HG ARG 11 -15.848 -36.055 -28.561 95 1HD ARG 11 2HD ARG 11 -17.245 -37.079 -30.326 96 2HD ARG 11 1HD ARG 11 -17.999 -38.120 -29.118 97 HE ARG 11 HE ARG 11 -18.182 -35.171 -28.767 98 1HH1 ARG 11 2HH1 ARG 11 -19.665 -37.838 -30.247 99 2HH1 ARG 11 1HH1 ARG 11 -21.251 -37.493 -29.645 100 1HH2 ARG 11 1HH2 ARG 11 -20.203 -34.884 -27.615 101 2HH2 ARG 11 2HH2 ARG 11 -21.557 -35.820 -28.156 102 HA PRO 12 HA PRO 12 -10.927 -38.714 -26.349 103 1HB PRO 12 2HB PRO 12 -11.961 -38.531 -23.808 104 2HB PRO 12 1HB PRO 12 -11.207 -37.171 -24.659 105 1HG PRO 12 2HG PRO 12 -14.097 -37.679 -24.126 106 2HG PRO 12 1HG PRO 12 -13.256 -36.141 -24.376 107 1HD PRO 12 2HD PRO 12 -14.828 -37.502 -26.297 108 2HD PRO 12 1HD PRO 12 -13.719 -36.152 -26.622 109 H ARG 13 H ARG 13 -10.727 -40.922 -26.503 110 HA ARG 13 HA ARG 13 -11.250 -43.205 -26.331 111 1HB ARG 13 2HB ARG 13 -11.672 -41.949 -23.789 112 2HB ARG 13 1HB ARG 13 -12.907 -43.189 -24.010 113 1HG ARG 13 2HG ARG 13 -11.313 -44.905 -24.278 114 2HG ARG 13 1HG ARG 13 -10.013 -43.764 -24.627 115 1HD ARG 13 2HD ARG 13 -9.654 -43.280 -22.412 116 2HD ARG 13 1HD ARG 13 -11.350 -43.496 -21.981 117 HE ARG 13 HE ARG 13 -9.319 -45.641 -22.144 118 1HH1 ARG 13 2HH1 ARG 13 -10.994 -45.279 -19.726 119 2HH1 ARG 13 1HH1 ARG 13 -12.221 -46.485 -19.926 120 1HH2 ARG 13 1HH2 ARG 13 -11.596 -46.937 -23.307 121 2HH2 ARG 13 2HH2 ARG 13 -12.563 -47.422 -21.955 122 H LYS 14 H LYS 14 -13.330 -44.714 -25.817 123 HA LYS 14 HA LYS 14 -15.453 -43.629 -27.578 124 1HB LYS 14 2HB LYS 14 -14.261 -46.154 -27.324 125 2HB LYS 14 1HB LYS 14 -15.880 -46.351 -26.653 126 1HG LYS 14 2HG LYS 14 -16.604 -44.987 -28.793 127 2HG LYS 14 1HG LYS 14 -15.066 -45.567 -29.432 128 1HD LYS 14 2HD LYS 14 -16.908 -47.517 -28.089 129 2HD LYS 14 1HD LYS 14 -17.255 -47.012 -29.745 130 1HE LYS 14 2HE LYS 14 -14.439 -47.762 -29.164 131 2HE LYS 14 1HE LYS 14 -15.613 -49.078 -29.165 132 1HZ LYS 14 1HZ LYS 14 -16.107 -48.766 -31.358 133 2HZ LYS 14 2HZ LYS 14 -14.469 -48.314 -31.365 134 3HZ LYS 14 3HZ LYS 14 -15.681 -47.124 -31.350 135 H ASN 15 H ASN 15 -15.560 -42.343 -25.189 136 HA ASN 15 HA ASN 15 -17.736 -43.727 -23.674 137 1HB ASN 15 2HB ASN 15 -15.709 -41.635 -22.861 138 2HB ASN 15 1HB ASN 15 -17.150 -41.963 -21.898 139 1HD2 ASN 15 1HD2 ASN 15 -16.363 -43.165 -20.136 140 2HD2 ASN 15 2HD2 ASN 15 -15.412 -44.563 -20.281 141 H LYS 16 H LYS 16 -19.659 -42.544 -23.243 142 HA LYS 16 HA LYS 16 -20.012 -40.155 -25.001 143 1HB LYS 16 2HB LYS 16 -21.733 -42.447 -24.259 144 2HB LYS 16 1HB LYS 16 -22.545 -40.882 -24.311 145 1HG LYS 16 2HG LYS 16 -22.730 -41.687 -26.525 146 2HG LYS 16 1HG LYS 16 -21.366 -40.570 -26.594 147 1HD LYS 16 2HD LYS 16 -19.795 -42.282 -26.745 148 2HD LYS 16 1HD LYS 16 -20.856 -43.460 -25.971 149 1HE LYS 16 2HE LYS 16 -22.137 -43.773 -27.926 150 2HE LYS 16 1HE LYS 16 -21.558 -42.272 -28.651 151 1HZ LYS 16 1HZ LYS 16 -19.264 -43.474 -28.424 152 2HZ LYS 16 2HZ LYS 16 -20.282 -43.791 -29.747 153 3HZ LYS 16 3HZ LYS 16 -20.222 -44.873 -28.438 154 H ASN 17 H ASN 17 -22.261 -40.980 -22.450 155 HA ASN 17 HA ASN 17 -22.392 -38.391 -21.364 156 1HB ASN 17 2HB ASN 17 -23.010 -41.120 -20.263 157 2HB ASN 17 1HB ASN 17 -23.116 -39.709 -19.210 158 1HD2 ASN 17 1HD2 ASN 17 -25.501 -40.022 -19.135 159 2HD2 ASN 17 2HD2 ASN 17 -26.462 -39.539 -20.447 160 H ILE 18 H ILE 18 -20.558 -37.315 -20.726 161 HA ILE 18 HA ILE 18 -18.180 -38.425 -19.729 162 HB ILE 18 HB ILE 18 -19.459 -35.752 -19.085 163 1HG1 ILE 18 2HG1 ILE 18 -17.076 -35.946 -20.818 164 2HG1 ILE 18 1HG1 ILE 18 -18.525 -36.702 -21.485 165 1HG2 ILE 18 1HG2 ILE 18 -16.846 -35.294 -18.747 166 2HG2 ILE 18 2HG2 ILE 18 -16.863 -37.000 -18.299 167 3HG2 ILE 18 3HG2 ILE 18 -17.866 -35.848 -17.418 168 1HD1 ILE 18 1HD1 ILE 18 -19.466 -34.309 -20.419 169 2HD1 ILE 18 2HD1 ILE 18 -19.154 -34.629 -22.125 170 3HD1 ILE 18 3HD1 ILE 18 -17.913 -33.868 -21.130 171 H LYS 19 H LYS 19 -17.852 -39.628 -17.922 172 HA LYS 19 HA LYS 19 -19.558 -39.043 -15.534 173 1HB LYS 19 2HB LYS 19 -19.845 -41.312 -16.862 174 2HB LYS 19 1HB LYS 19 -18.383 -41.767 -15.987 175 1HG LYS 19 2HG LYS 19 -19.466 -41.248 -13.850 176 2HG LYS 19 1HG LYS 19 -20.918 -40.713 -14.698 177 1HD LYS 19 2HD LYS 19 -21.027 -43.080 -13.798 178 2HD LYS 19 1HD LYS 19 -21.351 -42.928 -15.525 179 1HE LYS 19 2HE LYS 19 -19.038 -43.565 -16.039 180 2HE LYS 19 1HE LYS 19 -18.668 -43.666 -14.317 181 1HZ LYS 19 1HZ LYS 19 -20.762 -45.257 -14.406 182 2HZ LYS 19 2HZ LYS 19 -19.184 -45.820 -14.689 183 3HZ LYS 19 3HZ LYS 19 -20.215 -45.480 -15.996 184 H VAL 20 H VAL 20 -16.815 -38.094 -16.375 185 HA VAL 20 HA VAL 20 -15.373 -39.039 -13.932 186 HB VAL 20 HB VAL 20 -13.247 -38.717 -15.228 187 1HG1 VAL 20 1HG1 VAL 20 -15.331 -40.755 -15.899 188 2HG1 VAL 20 2HG1 VAL 20 -13.764 -40.969 -15.118 189 3HG1 VAL 20 3HG1 VAL 20 -13.854 -40.734 -16.863 190 1HG2 VAL 20 1HG2 VAL 20 -15.261 -38.240 -17.432 191 2HG2 VAL 20 2HG2 VAL 20 -13.621 -38.789 -17.783 192 3HG2 VAL 20 3HG2 VAL 20 -13.880 -37.240 -16.979 193 H ASN 21 H ASN 21 -15.563 -37.285 -12.593 194 HA ASN 21 HA ASN 21 -15.831 -34.580 -13.456 195 1HB ASN 21 2HB ASN 21 -14.641 -35.447 -10.814 196 2HB ASN 21 1HB ASN 21 -15.556 -33.980 -11.159 197 1HD2 ASN 21 1HD2 ASN 21 -17.487 -35.592 -12.891 198 2HD2 ASN 21 2HD2 ASN 21 -18.486 -36.396 -11.779 199 H THR 22 H THR 22 -12.999 -35.788 -11.633 200 HA THR 22 HA THR 22 -10.765 -35.038 -11.738 201 HB THR 22 HB THR 22 -11.358 -35.252 -14.706 202 HG1 THR 22 HG1 THR 22 -10.907 -37.105 -12.675 203 1HG2 THR 22 1HG2 THR 22 -8.729 -36.079 -13.920 204 2HG2 THR 22 2HG2 THR 22 -9.031 -34.467 -13.271 205 3HG2 THR 22 3HG2 THR 22 -9.188 -34.764 -15.003 206 H TYR 23 H TYR 23 -11.673 -32.869 -10.960 207 HA TYR 23 HA TYR 23 -11.272 -30.788 -13.073 208 1HB TYR 23 2HB TYR 23 -13.122 -30.916 -10.702 209 2HB TYR 23 1HB TYR 23 -12.623 -29.357 -11.355 210 HD1 TYR 23 HD1 TYR 23 -14.885 -32.109 -11.702 211 HD2 TYR 23 HD2 TYR 23 -12.908 -28.995 -13.909 212 HE1 TYR 23 HE1 TYR 23 -16.564 -32.329 -13.516 213 HE2 TYR 23 HE2 TYR 23 -14.588 -29.215 -15.723 214 HH TYR 23 HH TYR 23 -16.767 -30.037 -16.119 215 H ARG 24 H ARG 24 -9.611 -32.231 -10.719 216 HA ARG 24 HA ARG 24 -8.503 -29.693 -9.600 217 1HB ARG 24 2HB ARG 24 -8.010 -32.512 -8.605 218 2HB ARG 24 1HB ARG 24 -7.632 -31.001 -7.776 219 1HG ARG 24 2HG ARG 24 -10.461 -31.335 -8.593 220 2HG ARG 24 1HG ARG 24 -9.902 -32.424 -7.322 221 1HD ARG 24 2HD ARG 24 -8.840 -29.914 -6.646 222 2HD ARG 24 1HD ARG 24 -10.494 -29.587 -7.166 223 HE ARG 24 HE ARG 24 -10.197 -31.825 -5.277 224 1HH1 ARG 24 2HH1 ARG 24 -9.296 -29.149 -4.074 225 2HH1 ARG 24 1HH1 ARG 24 -10.769 -28.614 -3.337 226 1HH2 ARG 24 1HH2 ARG 24 -12.765 -30.851 -5.077 227 2HH2 ARG 24 2HH2 ARG 24 -12.733 -29.577 -3.905 228 H THR 25 H THR 25 -7.513 -29.639 -11.915 229 HA THR 25 HA THR 25 -4.864 -31.015 -11.779 230 HB THR 25 HB THR 25 -4.956 -31.111 -14.306 231 HG1 THR 25 HG1 THR 25 -7.723 -30.949 -14.135 232 1HG2 THR 25 1HG2 THR 25 -5.349 -33.137 -13.071 233 2HG2 THR 25 2HG2 THR 25 -6.582 -33.049 -14.331 234 3HG2 THR 25 3HG2 THR 25 -6.991 -32.636 -12.666 235 H SER 26 H SER 26 -3.529 -29.315 -11.288 236 HA SER 26 HA SER 26 -2.617 -27.140 -11.357 237 1HB SER 26 2HB SER 26 -2.412 -28.400 -13.844 238 2HB SER 26 1HB SER 26 -3.013 -26.789 -14.225 239 HG SER 26 HG SER 26 -0.733 -26.838 -14.100 240 H ALA 27 H ALA 27 -4.789 -26.473 -10.320 241 HA ALA 27 HA ALA 27 -6.612 -25.021 -12.122 242 1HB ALA 27 1HB ALA 27 -7.606 -24.379 -9.763 243 2HB ALA 27 2HB ALA 27 -6.576 -25.694 -9.198 244 3HB ALA 27 3HB ALA 27 -7.828 -26.010 -10.399 245 H MET 28 H MET 28 -3.661 -24.255 -11.321 246 HA MET 28 HA MET 28 -4.327 -21.379 -10.860 247 1HB MET 28 2HB MET 28 -2.246 -23.083 -9.494 248 2HB MET 28 1HB MET 28 -2.046 -21.335 -9.620 249 1HG MET 28 2HG MET 28 -3.465 -21.024 -7.906 250 2HG MET 28 1HG MET 28 -4.731 -21.895 -8.773 251 1HE MET 28 1HE MET 28 -4.865 -24.843 -8.578 252 2HE MET 28 2HE MET 28 -5.819 -23.479 -8.001 253 3HE MET 28 3HE MET 28 -5.409 -24.787 -6.895 254 H ASP 29 H ASP 29 -2.929 -19.901 -11.949 255 HA ASP 29 HA ASP 29 -0.628 -20.817 -13.463 256 1HB ASP 29 2HB ASP 29 -2.622 -21.675 -14.801 257 2HB ASP 29 1HB ASP 29 -3.039 -19.987 -15.095 258 H LEU 30 H LEU 30 -0.290 -18.877 -11.851 259 HA LEU 30 HA LEU 30 -0.838 -16.314 -13.290 260 1HB LEU 30 2HB LEU 30 -1.182 -17.056 -10.569 261 2HB LEU 30 1HB LEU 30 0.162 -15.915 -10.621 262 HG LEU 30 HG LEU 30 -1.245 -14.363 -11.967 263 1HD1 LEU 30 1HD1 LEU 30 -3.757 -15.713 -11.264 264 2HD1 LEU 30 2HD1 LEU 30 -2.785 -16.613 -12.428 265 3HD1 LEU 30 3HD1 LEU 30 -3.276 -14.956 -12.783 266 1HD2 LEU 30 1HD2 LEU 30 -1.191 -13.959 -9.603 267 2HD2 LEU 30 2HD2 LEU 30 -2.287 -15.304 -9.283 268 3HD2 LEU 30 3HD2 LEU 30 -2.885 -13.849 -10.080 269 H SER 31 H SER 31 0.908 -15.274 -14.145 270 HA SER 31 HA SER 31 3.615 -16.099 -13.170 271 1HB SER 31 2HB SER 31 4.201 -15.263 -15.639 272 2HB SER 31 1HB SER 31 3.694 -16.920 -15.326 273 HG SER 31 HG SER 31 1.536 -16.207 -15.784 274 HA PRO 32 HA PRO 32 4.468 -11.851 -12.502 275 1HB PRO 32 2HB PRO 32 7.136 -11.744 -13.169 276 2HB PRO 32 1HB PRO 32 6.525 -12.488 -11.681 277 1HG PRO 32 2HG PRO 32 7.545 -13.804 -14.158 278 2HG PRO 32 1HG PRO 32 7.541 -14.401 -12.490 279 1HD PRO 32 2HD PRO 32 5.733 -15.175 -14.518 280 2HD PRO 32 1HD PRO 32 5.531 -15.470 -12.777 281 H GLY 33 H GLY 33 3.610 -10.334 -13.888 282 1HA GLY 33 2HA GLY 33 3.662 -8.775 -15.669 283 2HA GLY 33 1HA GLY 33 5.112 -9.572 -16.280 284 H SER 34 H SER 34 1.728 -10.604 -15.705 285 HA SER 34 HA SER 34 1.778 -11.785 -18.452 286 1HB SER 34 2HB SER 34 0.743 -13.633 -17.635 287 2HB SER 34 1HB SER 34 1.265 -13.054 -16.056 288 HG SER 34 HG SER 34 -0.909 -13.307 -15.905 289 H VAL 35 H VAL 35 -0.375 -11.740 -19.573 290 HA VAL 35 HA VAL 35 -1.787 -9.190 -18.925 291 HB VAL 35 HB VAL 35 -2.309 -8.983 -21.238 292 1HG1 VAL 35 1HG1 VAL 35 0.188 -10.092 -22.043 293 2HG1 VAL 35 2HG1 VAL 35 0.386 -9.489 -20.398 294 3HG1 VAL 35 3HG1 VAL 35 -0.178 -8.407 -21.672 295 1HG2 VAL 35 1HG2 VAL 35 -1.501 -11.901 -21.425 296 2HG2 VAL 35 2HG2 VAL 35 -1.778 -10.880 -22.837 297 3HG2 VAL 35 3HG2 VAL 35 -3.099 -11.213 -21.717 298 H HIS 36 H HIS 36 -4.102 -9.185 -18.910 299 HA HIS 36 HA HIS 36 -5.627 -11.596 -19.449 300 1HB HIS 36 2HB HIS 36 -6.294 -12.122 -17.173 301 2HB HIS 36 1HB HIS 36 -4.534 -12.172 -17.265 302 HD1 HIS 36 HD1 HIS 36 -6.397 -11.440 -14.691 303 HD2 HIS 36 HD2 HIS 36 -4.176 -8.799 -17.030 304 HE1 HIS 36 HE1 HIS 36 -5.962 -9.401 -13.253 305 H GLU 37 H GLU 37 -7.973 -11.261 -18.723 306 HA GLU 37 HA GLU 37 -8.647 -8.386 -19.085 307 1HB GLU 37 2HB GLU 37 -10.223 -10.942 -19.464 308 2HB GLU 37 1HB GLU 37 -10.978 -9.348 -19.510 309 1HG GLU 37 2HG GLU 37 -9.945 -8.760 -21.490 310 2HG GLU 37 1HG GLU 37 -8.538 -9.777 -21.179 311 H GLY 38 H GLY 38 -9.948 -7.293 -17.574 312 1HA GLY 38 2HA GLY 38 -11.034 -8.769 -15.265 313 2HA GLY 38 1HA GLY 38 -9.731 -7.640 -14.894 314 H ILE 39 H ILE 39 -11.989 -6.998 -13.666 315 HA ILE 39 HA ILE 39 -13.507 -5.108 -15.387 316 HB ILE 39 HB ILE 39 -14.030 -5.632 -12.461 317 1HG1 ILE 39 2HG1 ILE 39 -15.033 -7.279 -14.807 318 2HG1 ILE 39 1HG1 ILE 39 -13.851 -7.827 -13.618 319 1HG2 ILE 39 1HG2 ILE 39 -15.188 -3.796 -13.812 320 2HG2 ILE 39 2HG2 ILE 39 -16.255 -4.946 -13.007 321 3HG2 ILE 39 3HG2 ILE 39 -15.948 -5.090 -14.737 322 1HD1 ILE 39 1HD1 ILE 39 -16.272 -8.533 -13.195 323 2HD1 ILE 39 2HD1 ILE 39 -16.599 -6.838 -12.831 324 3HD1 ILE 39 3HD1 ILE 39 -15.450 -7.746 -11.848 325 H VAL 40 H VAL 40 -13.665 -2.847 -14.761 326 HA VAL 40 HA VAL 40 -11.271 -1.974 -13.202 327 HB VAL 40 HB VAL 40 -12.967 -0.459 -15.205 328 1HG1 VAL 40 1HG1 VAL 40 -10.397 0.307 -13.784 329 2HG1 VAL 40 2HG1 VAL 40 -11.988 1.001 -13.468 330 3HG1 VAL 40 3HG1 VAL 40 -11.206 1.261 -15.028 331 1HG2 VAL 40 1HG2 VAL 40 -10.645 -2.229 -15.421 332 2HG2 VAL 40 2HG2 VAL 40 -10.343 -0.634 -16.111 333 3HG2 VAL 40 3HG2 VAL 40 -11.697 -1.603 -16.690 334 H TYR 41 H TYR 41 -11.473 -0.346 -11.616 335 HA TYR 41 HA TYR 41 -14.183 0.579 -10.869 336 1HB TYR 41 2HB TYR 41 -13.134 -1.673 -9.631 337 2HB TYR 41 1HB TYR 41 -12.690 -0.369 -8.531 338 HD1 TYR 41 HD1 TYR 41 -14.381 0.964 -7.389 339 HD2 TYR 41 HD2 TYR 41 -15.492 -2.168 -10.115 340 HE1 TYR 41 HE1 TYR 41 -16.713 1.057 -6.546 341 HE2 TYR 41 HE2 TYR 41 -17.824 -2.075 -9.272 342 HH TYR 41 HH TYR 41 -19.130 -1.299 -7.563 343 H PHE 42 H PHE 42 -13.872 2.087 -8.815 344 HA PHE 42 HA PHE 42 -11.299 3.575 -9.168 345 1HB PHE 42 2HB PHE 42 -13.279 4.758 -10.153 346 2HB PHE 42 1HB PHE 42 -14.013 4.781 -8.550 347 HD1 PHE 42 HD1 PHE 42 -13.668 6.664 -7.224 348 HD2 PHE 42 HD2 PHE 42 -10.739 5.627 -10.194 349 HE1 PHE 42 HE1 PHE 42 -12.370 8.701 -6.656 350 HE2 PHE 42 HE2 PHE 42 -9.441 7.664 -9.625 351 HZ PHE 42 HZ PHE 42 -10.258 9.201 -7.856 352 H LYS 43 H LYS 43 -10.145 3.696 -7.302 353 HA LYS 43 HA LYS 43 -11.487 4.071 -4.725 354 1HB LYS 43 2HB LYS 43 -10.608 1.422 -5.621 355 2HB LYS 43 1HB LYS 43 -9.883 1.901 -4.086 356 1HG LYS 43 2HG LYS 43 -12.071 2.339 -3.126 357 2HG LYS 43 1HG LYS 43 -12.853 2.039 -4.680 358 1HD LYS 43 2HD LYS 43 -11.380 -0.260 -4.324 359 2HD LYS 43 1HD LYS 43 -11.874 0.120 -2.674 360 1HE LYS 43 2HE LYS 43 -13.984 0.406 -4.734 361 2HE LYS 43 1HE LYS 43 -13.443 -1.244 -4.424 362 1HZ LYS 43 1HZ LYS 43 -15.294 -0.485 -2.980 363 2HZ LYS 43 2HZ LYS 43 -14.244 0.660 -2.295 364 3HZ LYS 43 3HZ LYS 43 -13.924 -1.000 -2.123 365 H ASP 44 H ASP 44 -10.045 4.889 -3.164 366 HA ASP 44 HA ASP 44 -8.089 5.922 -2.383 367 1HB ASP 44 2HB ASP 44 -7.023 3.663 -4.059 368 2HB ASP 44 1HB ASP 44 -5.915 4.840 -3.354 369 H GLY 45 H GLY 45 -9.361 6.473 -5.236 370 1HA GLY 45 2HA GLY 45 -9.025 8.406 -6.593 371 2HA GLY 45 1HA GLY 45 -7.428 8.603 -5.871 372 H ILE 46 H ILE 46 -7.051 5.577 -6.461 373 HA ILE 46 HA ILE 46 -6.012 6.026 -9.203 374 HB ILE 46 HB ILE 46 -4.649 4.059 -8.825 375 1HG1 ILE 46 2HG1 ILE 46 -5.866 3.688 -6.097 376 2HG1 ILE 46 1HG1 ILE 46 -6.635 2.948 -7.501 377 1HG2 ILE 46 1HG2 ILE 46 -3.490 4.740 -6.698 378 2HG2 ILE 46 2HG2 ILE 46 -4.816 5.862 -6.393 379 3HG2 ILE 46 3HG2 ILE 46 -3.783 6.079 -7.807 380 1HD1 ILE 46 1HD1 ILE 46 -3.721 2.582 -6.748 381 2HD1 ILE 46 2HD1 ILE 46 -4.573 1.773 -8.065 382 3HD1 ILE 46 3HD1 ILE 46 -5.000 1.423 -6.389 383 H PHE 47 H PHE 47 -5.991 3.157 -9.825 384 HA PHE 47 HA PHE 47 -8.902 2.853 -10.445 385 1HB PHE 47 2HB PHE 47 -6.428 2.413 -12.000 386 2HB PHE 47 1HB PHE 47 -7.632 1.132 -12.149 387 HD1 PHE 47 HD1 PHE 47 -7.928 4.846 -11.703 388 HD2 PHE 47 HD2 PHE 47 -8.827 1.420 -14.138 389 HE1 PHE 47 HE1 PHE 47 -9.268 6.277 -13.224 390 HE2 PHE 47 HE2 PHE 47 -10.166 2.851 -15.659 391 HZ PHE 47 HZ PHE 47 -10.387 5.279 -15.201 392 H LYS 48 H LYS 48 -9.624 0.522 -10.590 393 HA LYS 48 HA LYS 48 -8.059 -1.259 -8.780 394 1HB LYS 48 2HB LYS 48 -10.131 0.039 -7.753 395 2HB LYS 48 1HB LYS 48 -11.044 -1.225 -8.577 396 1HG LYS 48 2HG LYS 48 -8.739 -2.304 -7.154 397 2HG LYS 48 1HG LYS 48 -9.841 -1.450 -6.074 398 1HD LYS 48 2HD LYS 48 -10.596 -3.659 -8.011 399 2HD LYS 48 1HD LYS 48 -10.515 -3.798 -6.255 400 1HE LYS 48 2HE LYS 48 -12.147 -1.577 -6.677 401 2HE LYS 48 1HE LYS 48 -12.648 -2.717 -7.925 402 1HZ LYS 48 1HZ LYS 48 -13.594 -2.804 -5.472 403 2HZ LYS 48 2HZ LYS 48 -12.222 -3.780 -5.242 404 3HZ LYS 48 3HZ LYS 48 -13.383 -4.203 -6.407 405 H VAL 49 H VAL 49 -7.689 -3.127 -9.867 406 HA VAL 49 HA VAL 49 -9.616 -3.913 -12.002 407 HB VAL 49 HB VAL 49 -6.909 -5.168 -11.553 408 1HG1 VAL 49 1HG1 VAL 49 -7.190 -6.006 -13.678 409 2HG1 VAL 49 2HG1 VAL 49 -8.105 -4.600 -14.223 410 3HG1 VAL 49 3HG1 VAL 49 -8.890 -5.839 -13.242 411 1HG2 VAL 49 1HG2 VAL 49 -6.740 -2.633 -11.650 412 2HG2 VAL 49 2HG2 VAL 49 -7.434 -2.726 -13.268 413 3HG2 VAL 49 3HG2 VAL 49 -5.879 -3.485 -12.931 414 H ARG 50 H ARG 50 -11.146 -5.277 -11.157 415 HA ARG 50 HA ARG 50 -10.314 -7.222 -9.066 416 1HB ARG 50 2HB ARG 50 -12.534 -5.648 -9.214 417 2HB ARG 50 1HB ARG 50 -13.144 -7.139 -9.934 418 1HG ARG 50 2HG ARG 50 -11.848 -8.209 -7.844 419 2HG ARG 50 1HG ARG 50 -12.205 -6.625 -7.152 420 1HD ARG 50 2HD ARG 50 -14.411 -7.091 -6.958 421 2HD ARG 50 1HD ARG 50 -14.487 -7.785 -8.578 422 HE ARG 50 HE ARG 50 -13.113 -9.640 -6.941 423 1HH1 ARG 50 2HH1 ARG 50 -16.203 -8.528 -7.874 424 2HH1 ARG 50 1HH1 ARG 50 -17.071 -9.696 -6.933 425 1HH2 ARG 50 1HH2 ARG 50 -14.226 -10.996 -5.435 426 2HH2 ARG 50 2HH2 ARG 50 -15.952 -11.090 -5.550 427 H LEU 51 H LEU 51 -10.233 -9.400 -9.474 428 HA LEU 51 HA LEU 51 -10.665 -10.246 -12.283 429 1HB LEU 51 2HB LEU 51 -8.644 -10.820 -10.587 430 2HB LEU 51 1HB LEU 51 -9.710 -12.180 -10.233 431 HG LEU 51 HG LEU 51 -8.269 -12.868 -12.034 432 1HD1 LEU 51 1HD1 LEU 51 -11.006 -12.047 -13.046 433 2HD1 LEU 51 2HD1 LEU 51 -10.575 -13.585 -12.301 434 3HD1 LEU 51 3HD1 LEU 51 -9.933 -13.165 -13.889 435 1HD2 LEU 51 1HD2 LEU 51 -7.413 -10.828 -12.891 436 2HD2 LEU 51 2HD2 LEU 51 -9.026 -10.184 -13.196 437 3HD2 LEU 51 3HD2 LEU 51 -8.385 -11.477 -14.211 438 H LEU 52 H LEU 52 -12.775 -10.792 -12.669 439 HA LEU 52 HA LEU 52 -14.442 -11.961 -10.563 440 1HB LEU 52 2HB LEU 52 -15.506 -10.459 -12.138 441 2HB LEU 52 1HB LEU 52 -14.947 -11.424 -13.504 442 HG LEU 52 HG LEU 52 -16.265 -13.360 -12.595 443 1HD1 LEU 52 1HD1 LEU 52 -17.651 -13.148 -10.736 444 2HD1 LEU 52 2HD1 LEU 52 -17.747 -11.393 -10.880 445 3HD1 LEU 52 3HD1 LEU 52 -16.284 -12.148 -10.248 446 1HD2 LEU 52 1HD2 LEU 52 -17.149 -11.062 -13.985 447 2HD2 LEU 52 2HD2 LEU 52 -18.429 -11.458 -12.838 448 3HD2 LEU 52 3HD2 LEU 52 -17.884 -12.665 -14.002 449 H GLY 53 H GLY 53 -15.269 -14.101 -10.575 450 1HA GLY 53 2HA GLY 53 -15.448 -16.352 -11.384 451 2HA GLY 53 1HA GLY 53 -14.238 -15.981 -12.613 452 H TYR 54 H TYR 54 -12.575 -14.680 -10.388 453 HA TYR 54 HA TYR 54 -11.323 -17.227 -9.498 454 1HB TYR 54 2HB TYR 54 -10.313 -14.692 -10.393 455 2HB TYR 54 1HB TYR 54 -9.748 -14.981 -8.747 456 HD1 TYR 54 HD1 TYR 54 -8.987 -15.538 -12.109 457 HD2 TYR 54 HD2 TYR 54 -9.051 -17.566 -8.321 458 HE1 TYR 54 HE1 TYR 54 -7.336 -17.184 -12.961 459 HE2 TYR 54 HE2 TYR 54 -7.401 -19.210 -9.173 460 HH TYR 54 HH TYR 54 -6.125 -18.980 -12.499 461 H GLU 55 H GLU 55 -12.839 -14.304 -8.281 462 HA GLU 55 HA GLU 55 -13.543 -13.742 -6.115 463 1HB GLU 55 2HB GLU 55 -13.463 -16.705 -6.164 464 2HB GLU 55 1HB GLU 55 -13.428 -15.973 -4.559 465 1HG GLU 55 2HG GLU 55 -15.490 -14.862 -4.892 466 2HG GLU 55 1HG GLU 55 -15.428 -15.095 -6.640 467 H GLY 56 H GLY 56 -12.604 -13.157 -4.093 468 1HA GLY 56 2HA GLY 56 -10.805 -12.588 -2.701 469 2HA GLY 56 1HA GLY 56 -10.269 -14.251 -2.944 470 H HIS 57 H HIS 57 -10.595 -11.695 -5.399 471 HA HIS 57 HA HIS 57 -7.630 -11.597 -5.625 472 1HB HIS 57 2HB HIS 57 -9.197 -13.117 -7.363 473 2HB HIS 57 1HB HIS 57 -8.916 -11.613 -8.243 474 HD1 HIS 57 HD1 HIS 57 -7.518 -14.221 -9.157 475 HD2 HIS 57 HD2 HIS 57 -5.799 -11.461 -6.548 476 HE1 HIS 57 HE1 HIS 57 -5.013 -14.567 -9.296 477 H GLU 58 H GLU 58 -7.869 -9.448 -4.751 478 HA GLU 58 HA GLU 58 -9.275 -7.518 -6.540 479 1HB GLU 58 2HB GLU 58 -9.288 -7.791 -3.752 480 2HB GLU 58 1HB GLU 58 -8.253 -6.395 -4.059 481 1HG GLU 58 2HG GLU 58 -10.013 -5.120 -4.664 482 2HG GLU 58 1HG GLU 58 -10.610 -6.361 -5.766 483 H CYS 59 H CYS 59 -7.984 -6.409 -7.896 484 HA CYS 59 HA CYS 59 -5.140 -5.964 -7.085 485 1HB CYS 59 2HB CYS 59 -6.055 -5.886 -9.948 486 2HB CYS 59 1HB CYS 59 -4.455 -6.250 -9.303 487 HG CYS 59 HG CYS 59 -6.191 -8.381 -10.078 488 H ILE 60 H ILE 60 -4.225 -3.948 -8.258 489 HA ILE 60 HA ILE 60 -6.317 -1.836 -8.509 490 HB ILE 60 HB ILE 60 -4.891 -0.289 -7.220 491 1HG1 ILE 60 2HG1 ILE 60 -3.152 -2.061 -5.878 492 2HG1 ILE 60 1HG1 ILE 60 -2.983 -2.436 -7.593 493 1HG2 ILE 60 1HG2 ILE 60 -5.309 -1.236 -5.023 494 2HG2 ILE 60 2HG2 ILE 60 -5.372 -2.865 -5.695 495 3HG2 ILE 60 3HG2 ILE 60 -6.636 -1.700 -6.089 496 1HD1 ILE 60 1HD1 ILE 60 -2.355 0.095 -6.133 497 2HD1 ILE 60 2HD1 ILE 60 -2.939 0.226 -7.792 498 3HD1 ILE 60 3HD1 ILE 60 -1.474 -0.693 -7.443 499 H LEU 61 H LEU 61 -5.973 -0.524 -10.272 500 HA LEU 61 HA LEU 61 -3.476 -1.008 -11.810 501 1HB LEU 61 2HB LEU 61 -5.734 -1.232 -12.925 502 2HB LEU 61 1HB LEU 61 -5.950 0.504 -12.692 503 HG LEU 61 HG LEU 61 -3.350 0.041 -13.820 504 1HD1 LEU 61 1HD1 LEU 61 -4.407 -2.087 -14.625 505 2HD1 LEU 61 2HD1 LEU 61 -3.959 -0.996 -15.937 506 3HD1 LEU 61 3HD1 LEU 61 -5.644 -1.122 -15.431 507 1HD2 LEU 61 1HD2 LEU 61 -5.716 1.682 -14.187 508 2HD2 LEU 61 2HD2 LEU 61 -5.066 1.172 -15.745 509 3HD2 LEU 61 3HD2 LEU 61 -4.041 2.042 -14.605 510 H LEU 62 H LEU 62 -1.937 0.537 -11.971 511 HA LEU 62 HA LEU 62 -2.438 3.360 -11.892 512 1HB LEU 62 2HB LEU 62 -2.904 2.778 -9.486 513 2HB LEU 62 1HB LEU 62 -1.233 2.234 -9.347 514 HG LEU 62 HG LEU 62 -0.536 4.537 -10.171 515 1HD1 LEU 62 1HD1 LEU 62 -3.472 4.782 -10.194 516 2HD1 LEU 62 2HD1 LEU 62 -2.258 5.722 -11.062 517 3HD1 LEU 62 3HD1 LEU 62 -2.648 6.115 -9.386 518 1HD2 LEU 62 1HD2 LEU 62 -1.209 3.609 -7.622 519 2HD2 LEU 62 2HD2 LEU 62 -1.983 5.192 -7.722 520 3HD2 LEU 62 3HD2 LEU 62 -0.245 5.041 -7.985 521 H ASP 63 H ASP 63 -0.191 0.688 -11.396 522 HA ASP 63 HA ASP 63 2.278 1.993 -11.578 523 1HB ASP 63 2HB ASP 63 2.181 -0.404 -11.244 524 2HB ASP 63 1HB ASP 63 1.406 -0.636 -12.811 525 H TYR 64 H TYR 64 0.152 0.961 -14.264 526 HA TYR 64 HA TYR 64 1.708 2.828 -16.016 527 1HB TYR 64 2HB TYR 64 0.869 0.050 -16.401 528 2HB TYR 64 1HB TYR 64 0.353 1.103 -17.719 529 HD1 TYR 64 HD1 TYR 64 1.879 1.713 -19.397 530 HD2 TYR 64 HD2 TYR 64 3.348 0.284 -15.620 531 HE1 TYR 64 HE1 TYR 64 4.193 1.726 -20.292 532 HE2 TYR 64 HE2 TYR 64 5.661 0.299 -16.515 533 HH TYR 64 HH TYR 64 6.880 1.640 -18.440 534 H LEU 65 H LEU 65 -0.375 3.828 -14.471 535 HA LEU 65 HA LEU 65 -2.890 3.775 -15.932 536 1HB LEU 65 2HB LEU 65 -2.842 4.213 -13.514 537 2HB LEU 65 1HB LEU 65 -1.886 5.670 -13.787 538 HG LEU 65 HG LEU 65 -3.884 6.284 -15.414 539 1HD1 LEU 65 1HD1 LEU 65 -4.791 3.860 -14.335 540 2HD1 LEU 65 2HD1 LEU 65 -5.752 5.031 -15.239 541 3HD1 LEU 65 3HD1 LEU 65 -5.702 5.103 -13.477 542 1HD2 LEU 65 1HD2 LEU 65 -3.949 6.451 -12.386 543 2HD2 LEU 65 2HD2 LEU 65 -5.020 7.373 -13.440 544 3HD2 LEU 65 3HD2 LEU 65 -3.279 7.642 -13.501 545 H ASN 66 H ASN 66 -0.361 6.276 -15.474 546 HA ASN 66 HA ASN 66 0.237 8.079 -16.854 547 1HB ASN 66 2HB ASN 66 -0.314 5.911 -18.567 548 2HB ASN 66 1HB ASN 66 -1.156 7.293 -19.268 549 1HD2 ASN 66 1HD2 ASN 66 1.944 5.830 -18.857 550 2HD2 ASN 66 2HD2 ASN 66 2.872 7.104 -19.487 551 H TYR 67 H TYR 67 -0.739 9.976 -17.951 552 HA TYR 67 HA TYR 67 -2.452 11.559 -18.234 553 1HB TYR 67 2HB TYR 67 -3.546 9.478 -19.351 554 2HB TYR 67 1HB TYR 67 -4.469 9.350 -17.855 555 HD1 TYR 67 HD1 TYR 67 -3.296 12.426 -19.634 556 HD2 TYR 67 HD2 TYR 67 -6.653 10.014 -18.455 557 HE1 TYR 67 HE1 TYR 67 -4.844 14.189 -20.435 558 HE2 TYR 67 HE2 TYR 67 -8.202 11.780 -19.257 559 HH TYR 67 HH TYR 67 -7.107 14.470 -21.136 560 H ARG 68 H ARG 68 -1.347 11.184 -15.685 561 HA ARG 68 HA ARG 68 -3.631 11.144 -13.795 562 1HB ARG 68 2HB ARG 68 -1.105 10.157 -13.561 563 2HB ARG 68 1HB ARG 68 -0.906 11.734 -12.795 564 1HG ARG 68 2HG ARG 68 -3.230 10.997 -11.651 565 2HG ARG 68 1HG ARG 68 -2.536 9.399 -11.930 566 1HD ARG 68 2HD ARG 68 -1.309 9.705 -10.064 567 2HD ARG 68 1HD ARG 68 -0.412 10.941 -10.944 568 HE ARG 68 HE ARG 68 -2.822 11.541 -9.272 569 1HH1 ARG 68 2HH1 ARG 68 -1.186 13.268 -11.439 570 2HH1 ARG 68 1HH1 ARG 68 -0.440 14.388 -10.349 571 1HH2 ARG 68 1HH2 ARG 68 -1.248 12.567 -7.509 572 2HH2 ARG 68 2HH2 ARG 68 -0.475 13.991 -8.123 573 H GLN 69 H GLN 69 -4.534 13.012 -13.071 574 HA GLN 69 HA GLN 69 -3.152 15.389 -12.416 575 1HB GLN 69 2HB GLN 69 -4.236 16.701 -14.488 576 2HB GLN 69 1HB GLN 69 -2.610 16.026 -14.564 577 1HG GLN 69 2HG GLN 69 -3.298 14.178 -15.839 578 2HG GLN 69 1HG GLN 69 -4.984 14.352 -15.354 579 1HE2 GLN 69 1HE2 GLN 69 -2.488 15.620 -17.527 580 2HE2 GLN 69 2HE2 GLN 69 -3.544 16.527 -18.497 581 H ASP 70 H ASP 70 -4.863 17.353 -12.535 582 HA ASP 70 HA ASP 70 -7.285 16.283 -11.236 583 1HB ASP 70 2HB ASP 70 -5.760 18.395 -10.593 584 2HB ASP 70 1HB ASP 70 -6.903 19.212 -11.661 585 H THR 71 H THR 71 -8.534 15.470 -12.964 586 HA THR 71 HA THR 71 -9.622 17.573 -14.785 587 HB THR 71 HB THR 71 -9.389 14.769 -15.794 588 HG1 THR 71 HG1 THR 71 -7.268 16.645 -15.654 589 1HG2 THR 71 1HG2 THR 71 -10.021 17.382 -16.789 590 2HG2 THR 71 2HG2 THR 71 -10.087 15.839 -17.641 591 3HG2 THR 71 3HG2 THR 71 -8.597 16.783 -17.641 592 H LEU 72 H LEU 72 -11.811 17.667 -14.640 593 HA LEU 72 HA LEU 72 -13.400 16.237 -12.878 594 1HB LEU 72 2HB LEU 72 -15.320 16.748 -14.490 595 2HB LEU 72 1HB LEU 72 -14.357 18.133 -13.971 596 HG LEU 72 HG LEU 72 -12.987 17.205 -16.200 597 1HD1 LEU 72 1HD1 LEU 72 -14.421 16.038 -17.486 598 2HD1 LEU 72 2HD1 LEU 72 -15.429 17.479 -17.596 599 3HD1 LEU 72 3HD1 LEU 72 -15.726 16.292 -16.327 600 1HD2 LEU 72 1HD2 LEU 72 -13.363 19.548 -15.674 601 2HD2 LEU 72 2HD2 LEU 72 -15.099 19.365 -15.923 602 3HD2 LEU 72 3HD2 LEU 72 -13.994 19.234 -17.291 603 H ASP 73 H ASP 73 -12.573 15.329 -16.214 604 HA ASP 73 HA ASP 73 -12.932 13.313 -17.369 605 1HB ASP 73 2HB ASP 73 -12.406 12.392 -14.535 606 2HB ASP 73 1HB ASP 73 -12.560 11.269 -15.888 607 H ARG 74 H ARG 74 -15.272 14.151 -17.531 608 HA ARG 74 HA ARG 74 -17.253 12.884 -15.805 609 1HB ARG 74 2HB ARG 74 -17.223 14.928 -17.824 610 2HB ARG 74 1HB ARG 74 -18.444 13.729 -18.248 611 1HG ARG 74 2HG ARG 74 -19.059 13.911 -15.681 612 2HG ARG 74 1HG ARG 74 -18.279 15.486 -15.828 613 1HD ARG 74 2HD ARG 74 -20.189 16.288 -16.706 614 2HD ARG 74 1HD ARG 74 -19.931 15.238 -18.100 615 HE ARG 74 HE ARG 74 -21.899 14.823 -16.026 616 1HH1 ARG 74 1HH2 ARG 74 -21.265 13.784 -19.010 617 2HH1 ARG 74 2HH2 ARG 74 -21.467 12.088 -18.724 618 1HH2 ARG 74 2HH1 ARG 74 -21.486 12.399 -15.272 619 2HH2 ARG 74 1HH1 ARG 74 -21.597 11.305 -16.610 620 H LEU 75 H LEU 75 -15.870 12.271 -19.000 621 HA LEU 75 HA LEU 75 -17.694 10.113 -19.654 622 1HB LEU 75 2HB LEU 75 -15.321 11.382 -20.840 623 2HB LEU 75 1HB LEU 75 -15.410 9.644 -21.135 624 HG LEU 75 HG LEU 75 -17.762 11.491 -21.586 625 1HD1 LEU 75 1HD1 LEU 75 -17.004 11.000 -24.076 626 2HD1 LEU 75 2HD1 LEU 75 -15.415 10.831 -23.330 627 3HD1 LEU 75 3HD1 LEU 75 -16.304 12.347 -23.180 628 1HD2 LEU 75 1HD2 LEU 75 -17.797 9.272 -23.303 629 2HD2 LEU 75 2HD2 LEU 75 -18.788 9.496 -21.861 630 3HD2 LEU 75 3HD2 LEU 75 -17.254 8.630 -21.753 631 H LYS 76 H LYS 76 -14.452 10.307 -18.223 632 HA LYS 76 HA LYS 76 -13.771 7.582 -18.176 633 1HB LYS 76 2HB LYS 76 -12.592 9.803 -17.221 634 2HB LYS 76 1HB LYS 76 -13.222 9.155 -15.707 635 1HG LYS 76 2HG LYS 76 -11.431 7.786 -15.663 636 2HG LYS 76 1HG LYS 76 -12.151 6.932 -17.029 637 1HD LYS 76 2HD LYS 76 -11.051 8.951 -18.389 638 2HD LYS 76 1HD LYS 76 -9.960 8.961 -17.004 639 1HE LYS 76 2HE LYS 76 -10.524 6.266 -18.030 640 2HE LYS 76 1HE LYS 76 -9.708 7.307 -19.196 641 1HZ LYS 76 1HZ LYS 76 -8.296 5.983 -17.539 642 2HZ LYS 76 2HZ LYS 76 -8.777 7.149 -16.401 643 3HZ LYS 76 3HZ LYS 76 -7.915 7.616 -17.790 644 H GLU 77 H GLU 77 -16.173 9.288 -16.300 645 HA GLU 77 HA GLU 77 -16.459 7.411 -14.165 646 1HB GLU 77 2HB GLU 77 -17.782 9.767 -15.069 647 2HB GLU 77 1HB GLU 77 -19.011 8.519 -14.861 648 1HG GLU 77 2HG GLU 77 -16.959 8.718 -12.719 649 2HG GLU 77 1HG GLU 77 -18.122 10.040 -12.816 650 H ARG 78 H ARG 78 -18.005 7.580 -17.374 651 HA ARG 78 HA ARG 78 -19.619 5.205 -16.880 652 1HB ARG 78 2HB ARG 78 -19.207 7.122 -19.089 653 2HB ARG 78 1HB ARG 78 -19.598 5.479 -19.599 654 1HG ARG 78 2HG ARG 78 -21.180 7.098 -17.580 655 2HG ARG 78 1HG ARG 78 -21.643 6.841 -19.262 656 1HD ARG 78 2HD ARG 78 -21.135 4.271 -18.364 657 2HD ARG 78 1HD ARG 78 -21.896 5.036 -16.968 658 HE ARG 78 HE ARG 78 -23.323 5.565 -19.451 659 1HH1 ARG 78 1HH2 ARG 78 -24.545 5.161 -16.708 660 2HH1 ARG 78 2HH2 ARG 78 -25.328 3.628 -16.901 661 1HH2 ARG 78 2HH1 ARG 78 -23.582 2.799 -19.779 662 2HH2 ARG 78 1HH1 ARG 78 -24.784 2.293 -18.641 663 H LEU 79 H LEU 79 -16.451 5.852 -18.262 664 HA LEU 79 HA LEU 79 -16.135 3.338 -19.619 665 1HB LEU 79 2HB LEU 79 -14.058 5.195 -18.419 666 2HB LEU 79 1HB LEU 79 -13.699 3.849 -19.501 667 HG LEU 79 HG LEU 79 -15.589 6.100 -20.228 668 1HD1 LEU 79 1HD1 LEU 79 -12.736 5.778 -21.178 669 2HD1 LEU 79 2HD1 LEU 79 -13.156 6.792 -19.798 670 3HD1 LEU 79 3HD1 LEU 79 -13.805 7.164 -21.395 671 1HD2 LEU 79 1HD2 LEU 79 -14.572 5.054 -22.537 672 2HD2 LEU 79 2HD2 LEU 79 -16.082 4.518 -21.800 673 3HD2 LEU 79 3HD2 LEU 79 -14.592 3.622 -21.507 674 H VAL 80 H VAL 80 -15.034 4.422 -16.390 675 HA VAL 80 HA VAL 80 -13.741 2.201 -15.427 676 HB VAL 80 HB VAL 80 -15.929 3.541 -13.833 677 1HG1 VAL 80 1HG1 VAL 80 -13.225 2.401 -13.065 678 2HG1 VAL 80 2HG1 VAL 80 -14.774 1.599 -12.810 679 3HG1 VAL 80 3HG1 VAL 80 -14.407 3.097 -11.957 680 1HG2 VAL 80 1HG2 VAL 80 -14.864 5.493 -14.263 681 2HG2 VAL 80 2HG2 VAL 80 -13.519 4.667 -15.050 682 3HG2 VAL 80 3HG2 VAL 80 -13.534 4.856 -13.297 683 H GLY 81 H GLY 81 -14.482 0.318 -14.176 684 1HA GLY 81 2HA GLY 81 -16.038 -1.414 -13.655 685 2HA GLY 81 1HA GLY 81 -17.275 -0.531 -14.551 686 H ARG 82 H ARG 82 -16.304 -0.233 -17.029 687 HA ARG 82 HA ARG 82 -16.796 -2.527 -18.438 688 1HB ARG 82 2HB ARG 82 -15.077 -0.159 -18.960 689 2HB ARG 82 1HB ARG 82 -14.831 -1.553 -20.012 690 1HG ARG 82 2HG ARG 82 -17.189 -1.581 -20.609 691 2HG ARG 82 1HG ARG 82 -17.530 -0.289 -19.458 692 1HD ARG 82 2HD ARG 82 -16.189 1.280 -20.718 693 2HD ARG 82 1HD ARG 82 -15.612 0.000 -21.786 694 HE ARG 82 HE ARG 82 -17.594 0.262 -23.020 695 1HH1 ARG 82 1HH2 ARG 82 -17.883 1.597 -19.853 696 2HH1 ARG 82 2HH2 ARG 82 -19.528 2.093 -20.071 697 1HH2 ARG 82 2HH1 ARG 82 -19.771 0.816 -23.284 698 2HH2 ARG 82 1HH1 ARG 82 -20.596 1.650 -22.011 699 H VAL 83 H VAL 83 -15.376 -4.108 -19.517 700 HA VAL 83 HA VAL 83 -13.197 -4.987 -17.691 701 HB VAL 83 HB VAL 83 -14.716 -6.415 -19.896 702 1HG1 VAL 83 1HG1 VAL 83 -12.457 -7.252 -19.939 703 2HG1 VAL 83 2HG1 VAL 83 -13.431 -8.431 -19.063 704 3HG1 VAL 83 3HG1 VAL 83 -12.389 -7.317 -18.177 705 1HG2 VAL 83 1HG2 VAL 83 -15.784 -7.604 -18.169 706 2HG2 VAL 83 2HG2 VAL 83 -15.708 -5.964 -17.524 707 3HG2 VAL 83 3HG2 VAL 83 -14.548 -7.179 -16.985 708 H ILE 84 H ILE 84 -11.069 -5.154 -18.446 709 HA ILE 84 HA ILE 84 -10.564 -4.655 -21.323 710 HB ILE 84 HB ILE 84 -9.180 -2.760 -20.989 711 1HG1 ILE 84 2HG1 ILE 84 -7.939 -3.494 -19.035 712 2HG1 ILE 84 1HG1 ILE 84 -8.647 -1.920 -18.679 713 1HG2 ILE 84 1HG2 ILE 84 -11.753 -2.510 -20.632 714 2HG2 ILE 84 2HG2 ILE 84 -10.703 -1.155 -20.225 715 3HG2 ILE 84 3HG2 ILE 84 -11.322 -2.203 -18.951 716 1HD1 ILE 84 1HD1 ILE 84 -10.651 -3.444 -17.781 717 2HD1 ILE 84 2HD1 ILE 84 -9.268 -3.045 -16.764 718 3HD1 ILE 84 3HD1 ILE 84 -9.342 -4.607 -17.580 719 H LYS 85 H LYS 85 -8.056 -4.719 -21.668 720 HA LYS 85 HA LYS 85 -7.056 -7.080 -20.154 721 1HB LYS 85 2HB LYS 85 -7.051 -7.415 -22.545 722 2HB LYS 85 1HB LYS 85 -6.252 -5.864 -22.813 723 1HG LYS 85 2HG LYS 85 -4.883 -7.812 -21.017 724 2HG LYS 85 1HG LYS 85 -4.878 -8.163 -22.745 725 1HD LYS 85 2HD LYS 85 -4.229 -5.370 -21.930 726 2HD LYS 85 1HD LYS 85 -3.012 -6.606 -21.607 727 1HE LYS 85 2HE LYS 85 -4.332 -6.213 -24.306 728 2HE LYS 85 1HE LYS 85 -2.776 -5.511 -23.864 729 1HZ LYS 85 1HZ LYS 85 -2.933 -8.303 -23.262 730 2HZ LYS 85 2HZ LYS 85 -1.757 -7.451 -24.143 731 3HZ LYS 85 3HZ LYS 85 -3.171 -7.993 -24.913 732 H THR 86 H THR 86 -4.987 -6.997 -19.157 733 HA THR 86 HA THR 86 -3.387 -4.548 -19.314 734 HB THR 86 HB THR 86 -3.560 -4.040 -16.900 735 HG1 THR 86 HG1 THR 86 -5.141 -6.320 -17.027 736 1HG2 THR 86 1HG2 THR 86 -5.695 -2.958 -16.981 737 2HG2 THR 86 2HG2 THR 86 -6.326 -4.148 -18.117 738 3HG2 THR 86 3HG2 THR 86 -5.097 -2.997 -18.640 739 H ARG 87 H ARG 87 -1.512 -4.773 -17.612 740 HA ARG 87 HA ARG 87 -0.627 -7.618 -17.726 741 1HB ARG 87 2HB ARG 87 1.186 -5.319 -17.048 742 2HB ARG 87 1HB ARG 87 1.574 -6.844 -17.846 743 1HG ARG 87 2HG ARG 87 -0.189 -4.710 -19.080 744 2HG ARG 87 1HG ARG 87 1.541 -4.848 -19.393 745 1HD ARG 87 2HD ARG 87 -0.411 -7.121 -19.832 746 2HD ARG 87 1HD ARG 87 0.067 -5.995 -21.103 747 HE ARG 87 HE ARG 87 1.674 -8.181 -20.097 748 1HH1 ARG 87 2HH1 ARG 87 3.331 -5.792 -19.413 749 2HH1 ARG 87 1HH1 ARG 87 4.236 -5.542 -20.868 750 1HH2 ARG 87 1HH2 ARG 87 2.153 -7.516 -22.814 751 2HH2 ARG 87 2HH2 ARG 87 3.569 -6.519 -22.795 752 H VAL 88 H VAL 88 0.644 -8.395 -15.821 753 HA VAL 88 HA VAL 88 -0.643 -7.445 -13.320 754 HB VAL 88 HB VAL 88 1.124 -9.876 -13.691 755 1HG1 VAL 88 1HG1 VAL 88 -0.605 -8.753 -11.538 756 2HG1 VAL 88 2HG1 VAL 88 0.898 -9.666 -11.411 757 3HG1 VAL 88 3HG1 VAL 88 -0.618 -10.505 -11.745 758 1HG2 VAL 88 1HG2 VAL 88 -0.561 -10.940 -14.746 759 2HG2 VAL 88 2HG2 VAL 88 -1.395 -9.392 -14.876 760 3HG2 VAL 88 3HG2 VAL 88 -1.705 -10.448 -13.498 761 H VAL 89 H VAL 89 0.468 -6.110 -12.014 762 HA VAL 89 HA VAL 89 3.293 -5.572 -12.516 763 HB VAL 89 HB VAL 89 1.276 -4.486 -10.547 764 1HG1 VAL 89 1HG1 VAL 89 3.155 -4.136 -9.260 765 2HG1 VAL 89 2HG1 VAL 89 3.305 -2.743 -10.332 766 3HG1 VAL 89 3HG1 VAL 89 4.243 -4.203 -10.647 767 1HG2 VAL 89 1HG2 VAL 89 1.479 -3.925 -13.136 768 2HG2 VAL 89 2HG2 VAL 89 2.795 -2.892 -12.576 769 3HG2 VAL 89 3HG2 VAL 89 1.160 -2.651 -11.960 770 H ARG 90 H ARG 90 1.381 -7.076 -9.906 771 HA ARG 90 HA ARG 90 3.441 -8.881 -9.161 772 1HB ARG 90 2HB ARG 90 4.044 -6.296 -8.321 773 2HB ARG 90 1HB ARG 90 3.345 -7.050 -6.887 774 1HG ARG 90 2HG ARG 90 4.941 -8.823 -6.917 775 2HG ARG 90 1HG ARG 90 5.476 -8.409 -8.547 776 1HD ARG 90 2HD ARG 90 5.765 -6.539 -6.184 777 2HD ARG 90 1HD ARG 90 7.033 -7.653 -6.696 778 HE ARG 90 HE ARG 90 6.026 -5.910 -8.830 779 1HH1 ARG 90 2HH1 ARG 90 8.739 -7.158 -7.378 780 2HH1 ARG 90 1HH1 ARG 90 9.708 -5.728 -7.514 781 1HH2 ARG 90 1HH2 ARG 90 7.072 -3.720 -8.535 782 2HH2 ARG 90 2HH2 ARG 90 8.764 -3.782 -8.169 783 H ALA 91 H ALA 91 1.839 -10.379 -8.775 784 HA ALA 91 HA ALA 91 -0.577 -9.770 -7.297 785 1HB ALA 91 1HB ALA 91 0.154 -12.590 -7.306 786 2HB ALA 91 2HB ALA 91 0.319 -11.873 -8.909 787 3HB ALA 91 3HB ALA 91 -1.226 -11.794 -8.062 788 H ASP 92 H ASP 92 -0.944 -9.944 -5.114 789 HA ASP 92 HA ASP 92 1.229 -11.150 -3.450 790 1HB ASP 92 2HB ASP 92 1.043 -8.544 -3.499 791 2HB ASP 92 1HB ASP 92 -0.391 -8.796 -2.502 792 H GLY 93 H GLY 93 -1.297 -12.320 -4.393 793 1HA GLY 93 2HA GLY 93 -2.663 -13.923 -3.226 794 2HA GLY 93 1HA GLY 93 -2.400 -13.020 -1.732 795 H LEU 94 H LEU 94 -3.991 -11.631 -1.097 796 HA LEU 94 HA LEU 94 -6.399 -11.417 -2.739 797 1HB LEU 94 2HB LEU 94 -5.586 -10.577 0.017 798 2HB LEU 94 1HB LEU 94 -6.976 -9.785 -0.725 799 HG LEU 94 HG LEU 94 -8.149 -11.843 -0.971 800 1HD1 LEU 94 1HD1 LEU 94 -5.430 -13.040 -0.538 801 2HD1 LEU 94 2HD1 LEU 94 -6.624 -13.410 -1.781 802 3HD1 LEU 94 3HD1 LEU 94 -6.860 -13.986 -0.131 803 1HD2 LEU 94 1HD2 LEU 94 -8.641 -11.790 1.226 804 2HD2 LEU 94 2HD2 LEU 94 -7.083 -11.040 1.572 805 3HD2 LEU 94 3HD2 LEU 94 -7.230 -12.797 1.550 806 H TYR 95 H TYR 95 -3.713 -9.333 -1.809 807 HA TYR 95 HA TYR 95 -4.913 -7.107 -3.384 808 1HB TYR 95 2HB TYR 95 -3.432 -7.190 -0.968 809 2HB TYR 95 1HB TYR 95 -2.382 -6.443 -2.172 810 HD1 TYR 95 HD1 TYR 95 -6.107 -6.356 -2.065 811 HD2 TYR 95 HD2 TYR 95 -2.455 -4.153 -1.538 812 HE1 TYR 95 HE1 TYR 95 -7.404 -4.247 -1.891 813 HE2 TYR 95 HE2 TYR 95 -3.751 -2.045 -1.362 814 HH TYR 95 HH TYR 95 -7.213 -2.035 -1.081 815 H VAL 96 H VAL 96 -4.063 -6.597 -5.368 816 HA VAL 96 HA VAL 96 -1.363 -7.669 -6.049 817 HB VAL 96 HB VAL 96 -3.854 -7.924 -7.759 818 1HG1 VAL 96 1HG1 VAL 96 -2.011 -9.410 -9.023 819 2HG1 VAL 96 2HG1 VAL 96 -0.935 -8.214 -8.299 820 3HG1 VAL 96 3HG1 VAL 96 -2.231 -7.695 -9.377 821 1HG2 VAL 96 1HG2 VAL 96 -2.451 -10.379 -7.272 822 2HG2 VAL 96 2HG2 VAL 96 -4.097 -9.950 -6.805 823 3HG2 VAL 96 3HG2 VAL 96 -2.751 -9.590 -5.723 824 H ASP 97 H ASP 97 -0.326 -6.510 -7.803 825 HA ASP 97 HA ASP 97 -1.335 -3.720 -8.056 826 1HB ASP 97 2HB ASP 97 1.374 -5.005 -8.440 827 2HB ASP 97 1HB ASP 97 1.029 -3.387 -9.053 828 H LEU 98 H LEU 98 -1.322 -2.737 -10.234 829 HA LEU 98 HA LEU 98 -1.303 -4.698 -12.475 830 1HB LEU 98 2HB LEU 98 -3.656 -3.701 -11.283 831 2HB LEU 98 1HB LEU 98 -3.469 -2.802 -12.786 832 HG LEU 98 HG LEU 98 -4.766 -4.990 -12.963 833 1HD1 LEU 98 1HD1 LEU 98 -3.156 -5.733 -14.964 834 2HD1 LEU 98 2HD1 LEU 98 -2.407 -4.179 -14.601 835 3HD1 LEU 98 3HD1 LEU 98 -4.110 -4.253 -15.047 836 1HD2 LEU 98 1HD2 LEU 98 -2.099 -6.358 -12.979 837 2HD2 LEU 98 2HD2 LEU 98 -3.700 -7.037 -12.684 838 3HD2 LEU 98 3HD2 LEU 98 -2.899 -6.088 -11.432 839 H ARG 99 H ARG 99 -0.600 -3.834 -14.406 840 HA ARG 99 HA ARG 99 -0.102 -0.886 -14.442 841 1HB ARG 99 2HB ARG 99 1.954 -1.404 -15.807 842 2HB ARG 99 1HB ARG 99 2.045 -1.954 -14.135 843 1HG ARG 99 2HG ARG 99 1.035 -4.182 -15.154 844 2HG ARG 99 1HG ARG 99 1.742 -3.560 -16.645 845 1HD ARG 99 2HD ARG 99 3.691 -3.176 -14.635 846 2HD ARG 99 1HD ARG 99 3.062 -4.808 -14.402 847 HE ARG 99 HE ARG 99 3.718 -5.309 -16.727 848 1HH1 ARG 99 1HH2 ARG 99 3.889 -2.077 -16.910 849 2HH1 ARG 99 2HH2 ARG 99 5.558 -1.956 -17.359 850 1HH2 ARG 99 2HH1 ARG 99 6.265 -5.275 -16.644 851 2HH2 ARG 99 1HH1 ARG 99 6.902 -3.766 -17.207 852 H ARG 100 H ARG 100 -1.230 0.041 -16.055 853 HA ARG 100 HA ARG 100 -2.651 -1.439 -18.047 854 1HB ARG 100 2HB ARG 100 -2.814 1.101 -17.131 855 2HB ARG 100 1HB ARG 100 -1.943 1.386 -18.638 856 1HG ARG 100 2HG ARG 100 -3.697 0.041 -19.833 857 2HG ARG 100 1HG ARG 100 -4.601 -0.033 -18.321 858 1HD ARG 100 2HD ARG 100 -4.625 2.462 -18.258 859 2HD ARG 100 1HD ARG 100 -3.829 2.479 -19.831 860 HE ARG 100 HE ARG 100 -6.643 1.838 -19.337 861 1HH1 ARG 100 2HH1 ARG 100 -5.364 3.400 -21.658 862 2HH1 ARG 100 1HH1 ARG 100 -5.652 2.309 -22.973 863 1HH2 ARG 100 1HH2 ARG 100 -6.394 -0.389 -20.924 864 2HH2 ARG 100 2HH2 ARG 100 -6.233 0.165 -22.558 865 H PHE 101 H PHE 101 -2.294 -1.048 -20.469 866 HA PHE 101 HA PHE 101 0.633 -1.250 -21.046 867 1HB PHE 101 2HB PHE 101 -0.834 -3.279 -21.499 868 2HB PHE 101 1HB PHE 101 -1.628 -2.322 -22.751 869 HD1 PHE 101 HD1 PHE 101 1.951 -2.657 -21.657 870 HD2 PHE 101 HD2 PHE 101 -0.893 -2.990 -24.863 871 HE1 PHE 101 HE1 PHE 101 3.790 -3.192 -23.234 872 HE2 PHE 101 HE2 PHE 101 0.947 -3.525 -26.440 873 HZ PHE 101 HZ PHE 101 3.288 -3.627 -25.625 874 H PHE 102 HN PHE 102 1.496 0.193 -22.492 875 HA PHE 102 HA PHE 102 1.577 2.190 -23.742 876 1HB PHE 102 2HB PHE 102 -0.497 0.447 -25.033 877 2HB PHE 102 1HB PHE 102 -0.254 2.084 -25.645 878 HD1 PHE 102 HD1 PHE 102 0.662 -1.164 -26.247 879 HD2 PHE 102 HD2 PHE 102 2.472 2.681 -25.611 880 HE1 PHE 102 HE1 PHE 102 2.688 -1.917 -27.464 881 HE2 PHE 102 HE2 PHE 102 4.499 1.929 -26.829 882 HZ PHE 102 HZ PHE 102 4.607 -0.370 -27.756 Start of MODEL 20 1 1H MET 1 1H MET 1 -1.016 -59.605 13.553 2 2H MET 1 2H MET 1 -2.252 -58.650 12.883 3 3H MET 1 3H MET 1 -2.275 -59.037 14.538 4 HA MET 1 HA MET 1 -0.773 -56.993 13.125 5 1HB MET 1 2HB MET 1 -2.222 -57.411 15.689 6 2HB MET 1 1HB MET 1 -0.873 -56.274 15.728 7 1HG MET 1 2HG MET 1 -2.015 -54.726 14.538 8 2HG MET 1 1HG MET 1 -2.564 -55.925 13.366 9 1HE MET 1 1HE MET 1 -5.966 -54.964 13.848 10 2HE MET 1 2HE MET 1 -5.351 -56.522 13.304 11 3HE MET 1 3HE MET 1 -4.475 -55.047 12.902 12 H THR 2 H THR 2 1.054 -56.081 14.763 13 HA THR 2 HA THR 2 3.319 -56.461 15.314 14 HB THR 2 HB THR 2 2.963 -58.830 16.888 15 HG1 THR 2 HG1 THR 2 0.964 -58.668 17.444 16 1HG2 THR 2 1HG2 THR 2 3.917 -56.152 17.108 17 2HG2 THR 2 2HG2 THR 2 4.193 -57.499 18.214 18 3HG2 THR 2 3HG2 THR 2 2.803 -56.437 18.445 19 H VAL 3 H VAL 3 3.434 -57.255 12.921 20 HA VAL 3 HA VAL 3 3.743 -60.148 12.579 21 HB VAL 3 HB VAL 3 4.337 -59.596 10.274 22 1HG1 VAL 3 1HG1 VAL 3 1.928 -59.471 11.064 23 2HG1 VAL 3 2HG1 VAL 3 2.283 -58.536 9.612 24 3HG1 VAL 3 3HG1 VAL 3 2.132 -57.723 11.169 25 1HG2 VAL 3 1HG2 VAL 3 4.146 -56.947 9.864 26 2HG2 VAL 3 2HG2 VAL 3 5.686 -57.726 10.225 27 3HG2 VAL 3 3HG2 VAL 3 4.786 -56.916 11.506 28 H ILE 4 H ILE 4 5.877 -60.929 11.545 29 HA ILE 4 HA ILE 4 8.143 -59.712 13.067 30 HB ILE 4 HB ILE 4 7.657 -62.553 12.133 31 1HG1 ILE 4 2HG1 ILE 4 6.555 -61.743 14.251 32 2HG1 ILE 4 1HG1 ILE 4 7.695 -63.066 14.504 33 1HG2 ILE 4 1HG2 ILE 4 9.927 -62.566 11.872 34 2HG2 ILE 4 2HG2 ILE 4 9.922 -62.673 13.632 35 3HG2 ILE 4 3HG2 ILE 4 10.148 -61.112 12.844 36 1HD1 ILE 4 1HD1 ILE 4 7.722 -60.546 15.763 37 2HD1 ILE 4 2HD1 ILE 4 9.067 -60.519 14.624 38 3HD1 ILE 4 3HD1 ILE 4 8.972 -61.786 15.847 39 H LYS 5 H LYS 5 8.031 -58.238 11.009 40 HA LYS 5 HA LYS 5 9.717 -59.503 8.884 41 1HB LYS 5 2HB LYS 5 7.214 -58.270 8.601 42 2HB LYS 5 1HB LYS 5 8.377 -57.067 8.041 43 1HG LYS 5 2HG LYS 5 7.832 -58.414 6.134 44 2HG LYS 5 1HG LYS 5 9.442 -58.914 6.653 45 1HD LYS 5 2HD LYS 5 7.557 -60.462 8.124 46 2HD LYS 5 1HD LYS 5 7.075 -60.514 6.429 47 1HE LYS 5 2HE LYS 5 9.977 -60.795 6.874 48 2HE LYS 5 1HE LYS 5 9.008 -62.113 7.533 49 1HZ LYS 5 1HZ LYS 5 8.074 -61.384 4.963 50 2HZ LYS 5 2HZ LYS 5 8.648 -62.887 5.507 51 3HZ LYS 5 3HZ LYS 5 9.733 -61.730 4.897 52 HA PRO 6 HA PRO 6 12.147 -56.135 10.850 53 1HB PRO 6 2HB PRO 6 14.428 -57.647 11.117 54 2HB PRO 6 1HB PRO 6 13.147 -57.581 12.341 55 1HG PRO 6 2HG PRO 6 13.791 -59.764 10.414 56 2HG PRO 6 1HG PRO 6 13.003 -59.861 11.997 57 1HD PRO 6 2HD PRO 6 11.698 -59.958 9.486 58 2HD PRO 6 1HD PRO 6 10.914 -59.721 11.063 59 H SER 7 H SER 7 14.854 -56.046 10.126 60 HA SER 7 HA SER 7 15.078 -56.505 7.230 61 1HB SER 7 2HB SER 7 14.797 -53.758 8.442 62 2HB SER 7 1HB SER 7 15.693 -54.000 6.945 63 HG SER 7 HG SER 7 13.854 -54.815 6.001 64 H SER 8 H SER 8 16.943 -57.722 7.724 65 HA SER 8 HA SER 8 19.086 -56.469 9.316 66 1HB SER 8 2HB SER 8 18.336 -59.047 9.099 67 2HB SER 8 1HB SER 8 19.560 -59.006 7.832 68 HG SER 8 HG SER 8 20.113 -57.823 10.313 69 H ARG 9 H ARG 9 18.499 -55.019 6.974 70 HA ARG 9 HA ARG 9 21.119 -54.907 5.759 71 1HB ARG 9 2HB ARG 9 20.330 -55.438 3.424 72 2HB ARG 9 1HB ARG 9 20.370 -56.835 4.501 73 1HG ARG 9 2HG ARG 9 17.822 -55.464 4.695 74 2HG ARG 9 1HG ARG 9 18.162 -55.920 3.025 75 1HD ARG 9 2HD ARG 9 18.958 -58.154 4.462 76 2HD ARG 9 1HD ARG 9 17.512 -57.619 5.319 77 HE ARG 9 HE ARG 9 17.489 -58.075 2.363 78 1HH1 ARG 9 1HH2 ARG 9 16.682 -59.374 5.374 79 2HH1 ARG 9 2HH2 ARG 9 15.052 -59.777 4.950 80 1HH2 ARG 9 2HH1 ARG 9 15.180 -58.188 1.871 81 2HH2 ARG 9 1HH1 ARG 9 14.201 -59.104 2.966 82 HA PRO 10 HA PRO 10 19.584 -50.881 4.908 83 1HB PRO 10 2HB PRO 10 21.430 -50.120 3.017 84 2HB PRO 10 1HB PRO 10 21.788 -50.223 4.749 85 1HG PRO 10 2HG PRO 10 22.602 -52.069 2.552 86 2HG PRO 10 1HG PRO 10 23.396 -51.753 4.104 87 1HD PRO 10 2HD PRO 10 21.796 -54.006 3.488 88 2HD PRO 10 1HD PRO 10 22.320 -53.509 5.111 89 H ARG 11 H ARG 11 17.578 -51.701 3.846 90 HA ARG 11 HA ARG 11 17.640 -51.160 0.918 91 1HB ARG 11 2HB ARG 11 17.510 -53.726 1.840 92 2HB ARG 11 1HB ARG 11 15.796 -53.311 1.770 93 1HG ARG 11 2HG ARG 11 17.283 -52.392 -0.582 94 2HG ARG 11 1HG ARG 11 17.335 -54.144 -0.380 95 1HD ARG 11 2HD ARG 11 14.676 -53.010 0.117 96 2HD ARG 11 1HD ARG 11 15.251 -52.731 -1.527 97 HE ARG 11 HE ARG 11 15.108 -55.459 -0.303 98 1HH1 ARG 11 2HH1 ARG 11 16.625 -55.204 -2.856 99 2HH1 ARG 11 1HH1 ARG 11 15.410 -55.530 -4.046 100 1HH2 ARG 11 1HH2 ARG 11 12.762 -55.038 -1.861 101 2HH2 ARG 11 2HH2 ARG 11 13.223 -55.439 -3.483 102 HA PRO 12 HA PRO 12 14.229 -48.927 3.026 103 1HB PRO 12 2HB PRO 12 14.787 -46.518 1.824 104 2HB PRO 12 1HB PRO 12 15.527 -47.049 3.345 105 1HG PRO 12 2HG PRO 12 16.727 -46.924 0.617 106 2HG PRO 12 1HG PRO 12 17.520 -46.826 2.198 107 1HD PRO 12 2HD PRO 12 17.448 -49.104 0.519 108 2HD PRO 12 1HD PRO 12 17.935 -49.081 2.227 109 H ARG 13 H ARG 13 12.206 -48.782 2.075 110 HA ARG 13 HA ARG 13 12.108 -48.742 -0.915 111 1HB ARG 13 2HB ARG 13 9.748 -49.856 -0.333 112 2HB ARG 13 1HB ARG 13 11.213 -50.826 -0.479 113 1HG ARG 13 2HG ARG 13 11.485 -50.986 1.862 114 2HG ARG 13 1HG ARG 13 10.401 -49.630 2.168 115 1HD ARG 13 2HD ARG 13 8.747 -51.339 0.812 116 2HD ARG 13 1HD ARG 13 9.767 -52.474 1.698 117 HE ARG 13 HE ARG 13 8.884 -51.611 3.752 118 1HH1 ARG 13 2HH1 ARG 13 6.916 -50.973 1.155 119 2HH1 ARG 13 1HH1 ARG 13 6.054 -49.658 1.883 120 1HH2 ARG 13 1HH2 ARG 13 8.166 -49.444 4.625 121 2HH2 ARG 13 2HH2 ARG 13 6.762 -48.793 3.848 122 H LYS 14 H LYS 14 12.025 -46.355 -0.683 123 HA LYS 14 HA LYS 14 9.415 -45.302 -0.914 124 1HB LYS 14 2HB LYS 14 10.041 -45.820 1.774 125 2HB LYS 14 1HB LYS 14 10.263 -44.081 1.580 126 1HG LYS 14 2HG LYS 14 7.847 -45.188 0.279 127 2HG LYS 14 1HG LYS 14 7.846 -45.253 2.042 128 1HD LYS 14 2HD LYS 14 8.503 -42.813 2.044 129 2HD LYS 14 1HD LYS 14 8.229 -42.804 0.302 130 1HE LYS 14 2HE LYS 14 5.998 -44.022 1.717 131 2HE LYS 14 1HE LYS 14 6.299 -42.379 2.283 132 1HZ LYS 14 1HZ LYS 14 6.443 -42.715 -0.583 133 2HZ LYS 14 2HZ LYS 14 5.680 -41.506 0.335 134 3HZ LYS 14 3HZ LYS 14 4.905 -42.996 0.076 135 H ASN 15 H ASN 15 11.519 -44.820 -2.459 136 HA ASN 15 HA ASN 15 12.958 -42.406 -1.573 137 1HB ASN 15 2HB ASN 15 13.104 -44.281 -3.884 138 2HB ASN 15 1HB ASN 15 13.639 -42.625 -4.169 139 1HD2 ASN 15 1HD2 ASN 15 15.769 -42.185 -3.571 140 2HD2 ASN 15 2HD2 ASN 15 16.686 -43.118 -2.490 141 H LYS 16 H LYS 16 9.905 -42.681 -2.271 142 HA LYS 16 HA LYS 16 8.284 -41.237 -3.157 143 1HB LYS 16 2HB LYS 16 10.709 -39.425 -3.179 144 2HB LYS 16 1HB LYS 16 9.111 -38.879 -3.687 145 1HG LYS 16 2HG LYS 16 8.279 -38.894 -1.558 146 2HG LYS 16 1HG LYS 16 9.219 -40.311 -1.092 147 1HD LYS 16 2HD LYS 16 10.476 -38.816 0.075 148 2HD LYS 16 1HD LYS 16 11.201 -38.467 -1.495 149 1HE LYS 16 2HE LYS 16 8.876 -36.939 -1.497 150 2HE LYS 16 1HE LYS 16 9.467 -36.792 0.158 151 1HZ LYS 16 1HZ LYS 16 11.642 -36.607 -1.606 152 2HZ LYS 16 2HZ LYS 16 11.038 -35.426 -0.544 153 3HZ LYS 16 3HZ LYS 16 10.441 -35.531 -2.132 154 H ASN 17 H ASN 17 9.550 -43.108 -4.913 155 HA ASN 17 HA ASN 17 10.183 -41.716 -7.410 156 1HB ASN 17 2HB ASN 17 11.245 -43.876 -6.906 157 2HB ASN 17 1HB ASN 17 9.661 -44.652 -6.847 158 1HD2 ASN 17 1HD2 ASN 17 11.558 -45.576 -8.724 159 2HD2 ASN 17 2HD2 ASN 17 11.058 -45.141 -10.287 160 H ILE 18 H ILE 18 8.064 -40.500 -7.371 161 HA ILE 18 HA ILE 18 5.990 -42.113 -8.780 162 HB ILE 18 HB ILE 18 5.262 -39.963 -6.785 163 1HG1 ILE 18 2HG1 ILE 18 5.124 -42.903 -6.150 164 2HG1 ILE 18 1HG1 ILE 18 6.612 -42.007 -5.845 165 1HG2 ILE 18 1HG2 ILE 18 3.660 -40.812 -8.591 166 2HG2 ILE 18 2HG2 ILE 18 3.078 -40.918 -6.928 167 3HG2 ILE 18 3HG2 ILE 18 3.685 -42.359 -7.744 168 1HD1 ILE 18 1HD1 ILE 18 4.919 -42.136 -3.910 169 2HD1 ILE 18 2HD1 ILE 18 3.935 -41.018 -4.856 170 3HD1 ILE 18 3HD1 ILE 18 5.544 -40.538 -4.316 171 H LYS 19 H LYS 19 6.868 -41.113 -10.719 172 HA LYS 19 HA LYS 19 6.912 -38.209 -10.966 173 1HB LYS 19 2HB LYS 19 8.108 -40.241 -12.350 174 2HB LYS 19 1HB LYS 19 6.786 -39.819 -13.440 175 1HG LYS 19 2HG LYS 19 8.475 -38.346 -14.123 176 2HG LYS 19 1HG LYS 19 7.548 -37.355 -12.996 177 1HD LYS 19 2HD LYS 19 9.884 -37.095 -12.440 178 2HD LYS 19 1HD LYS 19 9.141 -38.077 -11.177 179 1HE LYS 19 2HE LYS 19 10.134 -40.054 -11.949 180 2HE LYS 19 1HE LYS 19 10.404 -39.401 -13.565 181 1HZ LYS 19 1HZ LYS 19 11.998 -37.822 -12.528 182 2HZ LYS 19 2HZ LYS 19 12.478 -39.449 -12.441 183 3HZ LYS 19 3HZ LYS 19 11.836 -38.675 -11.071 184 H VAL 20 H VAL 20 4.488 -40.631 -11.222 185 HA VAL 20 HA VAL 20 2.741 -38.759 -12.764 186 HB VAL 20 HB VAL 20 2.230 -41.690 -12.194 187 1HG1 VAL 20 1HG1 VAL 20 0.370 -41.452 -13.497 188 2HG1 VAL 20 2HG1 VAL 20 1.165 -40.320 -14.592 189 3HG1 VAL 20 3HG1 VAL 20 0.515 -39.750 -13.054 190 1HG2 VAL 20 1HG2 VAL 20 3.895 -40.328 -14.265 191 2HG2 VAL 20 2HG2 VAL 20 2.884 -41.672 -14.796 192 3HG2 VAL 20 3HG2 VAL 20 4.093 -41.923 -13.536 193 H ASN 21 H ASN 21 2.980 -37.857 -10.283 194 HA ASN 21 HA ASN 21 0.525 -38.846 -8.889 195 1HB ASN 21 2HB ASN 21 3.100 -38.952 -7.883 196 2HB ASN 21 1HB ASN 21 2.475 -37.451 -7.196 197 1HD2 ASN 21 1HD2 ASN 21 1.631 -37.878 -5.155 198 2HD2 ASN 21 2HD2 ASN 21 0.709 -39.243 -4.747 199 H THR 22 H THR 22 0.287 -36.814 -7.018 200 HA THR 22 HA THR 22 -0.339 -34.557 -6.760 201 HB THR 22 HB THR 22 0.628 -33.700 -9.420 202 HG1 THR 22 HG1 THR 22 2.839 -33.866 -8.364 203 1HG2 THR 22 1HG2 THR 22 0.294 -31.886 -8.059 204 2HG2 THR 22 2HG2 THR 22 1.960 -32.235 -7.598 205 3HG2 THR 22 3HG2 THR 22 0.628 -32.797 -6.587 206 H TYR 23 H TYR 23 -2.191 -33.369 -7.368 207 HA TYR 23 HA TYR 23 -3.796 -34.638 -9.532 208 1HB TYR 23 2HB TYR 23 -4.481 -34.019 -6.948 209 2HB TYR 23 1HB TYR 23 -5.080 -32.607 -7.817 210 HD1 TYR 23 HD1 TYR 23 -5.667 -33.938 -10.472 211 HD2 TYR 23 HD2 TYR 23 -6.537 -35.127 -6.435 212 HE1 TYR 23 HE1 TYR 23 -7.609 -35.256 -11.278 213 HE2 TYR 23 HE2 TYR 23 -8.478 -36.445 -7.242 214 HH TYR 23 HH TYR 23 -10.005 -36.079 -9.817 215 H ARG 24 H ARG 24 -3.534 -31.320 -8.202 216 HA ARG 24 HA ARG 24 -3.934 -30.268 -10.943 217 1HB ARG 24 2HB ARG 24 -3.842 -28.910 -8.232 218 2HB ARG 24 1HB ARG 24 -4.089 -28.058 -9.757 219 1HG ARG 24 2HG ARG 24 -6.260 -28.666 -9.844 220 2HG ARG 24 1HG ARG 24 -5.867 -30.352 -9.511 221 1HD ARG 24 2HD ARG 24 -5.860 -29.983 -7.148 222 2HD ARG 24 1HD ARG 24 -5.890 -28.232 -7.354 223 HE ARG 24 HE ARG 24 -8.201 -29.970 -7.388 224 1HH1 ARG 24 2HH1 ARG 24 -7.789 -26.901 -6.852 225 2HH1 ARG 24 1HH1 ARG 24 -8.855 -26.257 -8.056 226 1HH2 ARG 24 1HH2 ARG 24 -9.153 -29.253 -9.775 227 2HH2 ARG 24 2HH2 ARG 24 -9.626 -27.588 -9.712 228 H THR 25 H THR 25 -2.365 -28.998 -11.995 229 HA THR 25 HA THR 25 0.392 -29.507 -11.206 230 HB THR 25 HB THR 25 -0.193 -29.434 -13.576 231 HG1 THR 25 HG1 THR 25 1.806 -28.298 -12.529 232 1HG2 THR 25 1HG2 THR 25 -1.018 -26.585 -12.961 233 2HG2 THR 25 2HG2 THR 25 -2.067 -27.896 -13.500 234 3HG2 THR 25 3HG2 THR 25 -0.847 -27.237 -14.590 235 H SER 26 H SER 26 1.889 -28.004 -10.411 236 HA SER 26 HA SER 26 0.684 -25.548 -9.233 237 1HB SER 26 2HB SER 26 3.236 -25.732 -8.215 238 2HB SER 26 1HB SER 26 1.795 -26.379 -7.436 239 HG SER 26 HG SER 26 2.247 -28.361 -8.239 240 H ALA 27 H ALA 27 1.671 -23.500 -9.596 241 HA ALA 27 HA ALA 27 3.935 -23.388 -11.505 242 1HB ALA 27 1HB ALA 27 1.171 -22.284 -12.010 243 2HB ALA 27 2HB ALA 27 2.162 -23.285 -13.072 244 3HB ALA 27 3HB ALA 27 2.592 -21.597 -12.796 245 H MET 28 H MET 28 3.933 -22.750 -8.762 246 HA MET 28 HA MET 28 4.615 -21.018 -7.335 247 1HB MET 28 2HB MET 28 5.324 -20.102 -10.060 248 2HB MET 28 1HB MET 28 5.195 -18.827 -8.847 249 1HG MET 28 2HG MET 28 6.573 -20.916 -7.569 250 2HG MET 28 1HG MET 28 7.274 -20.819 -9.185 251 1HE MET 28 1HE MET 28 8.874 -19.734 -6.132 252 2HE MET 28 2HE MET 28 7.141 -19.940 -5.899 253 3HE MET 28 3HE MET 28 7.880 -18.369 -5.605 254 H ASP 29 H ASP 29 4.162 -18.299 -7.357 255 HA ASP 29 HA ASP 29 1.208 -18.223 -7.165 256 1HB ASP 29 2HB ASP 29 3.471 -16.636 -6.029 257 2HB ASP 29 1HB ASP 29 1.921 -15.819 -6.237 258 H LEU 30 H LEU 30 1.947 -18.317 -9.799 259 HA LEU 30 HA LEU 30 1.562 -17.182 -11.817 260 1HB LEU 30 2HB LEU 30 0.016 -15.787 -9.830 261 2HB LEU 30 1HB LEU 30 0.697 -14.619 -10.963 262 HG LEU 30 HG LEU 30 -1.463 -15.419 -11.796 263 1HD1 LEU 30 1HD1 LEU 30 -0.303 -16.775 -13.872 264 2HD1 LEU 30 2HD1 LEU 30 1.091 -15.944 -13.182 265 3HD1 LEU 30 3HD1 LEU 30 -0.310 -15.018 -13.719 266 1HD2 LEU 30 1HD2 LEU 30 -1.693 -17.559 -10.779 267 2HD2 LEU 30 2HD2 LEU 30 -0.148 -18.116 -11.422 268 3HD2 LEU 30 3HD2 LEU 30 -1.525 -17.896 -12.501 269 H SER 31 H SER 31 3.097 -16.211 -13.063 270 HA SER 31 HA SER 31 5.308 -14.813 -11.757 271 1HB SER 31 2HB SER 31 6.141 -14.618 -14.157 272 2HB SER 31 1HB SER 31 5.899 -16.261 -13.572 273 HG SER 31 HG SER 31 4.870 -15.237 -15.704 274 HA PRO 32 HA PRO 32 3.674 -10.766 -12.400 275 1HB PRO 32 2HB PRO 32 6.015 -9.384 -11.993 276 2HB PRO 32 1HB PRO 32 5.058 -10.095 -10.682 277 1HG PRO 32 2HG PRO 32 7.636 -11.038 -11.847 278 2HG PRO 32 1HG PRO 32 6.977 -11.297 -10.223 279 1HD PRO 32 2HD PRO 32 6.966 -13.180 -12.339 280 2HD PRO 32 1HD PRO 32 6.038 -13.297 -10.829 281 H GLY 33 H GLY 33 3.229 -9.888 -14.388 282 1HA GLY 33 2HA GLY 33 4.193 -8.489 -16.238 283 2HA GLY 33 1HA GLY 33 5.467 -9.702 -16.366 284 H SER 34 H SER 34 2.131 -10.610 -15.798 285 HA SER 34 HA SER 34 2.112 -11.865 -18.508 286 1HB SER 34 2HB SER 34 0.385 -12.529 -16.107 287 2HB SER 34 1HB SER 34 0.487 -13.437 -17.612 288 HG SER 34 HG SER 34 2.895 -13.392 -16.964 289 H VAL 35 H VAL 35 -0.100 -11.947 -19.551 290 HA VAL 35 HA VAL 35 -1.505 -9.354 -19.075 291 HB VAL 35 HB VAL 35 -2.391 -9.829 -21.453 292 1HG1 VAL 35 1HG1 VAL 35 0.244 -8.900 -20.537 293 2HG1 VAL 35 2HG1 VAL 35 -0.885 -8.144 -21.661 294 3HG1 VAL 35 3HG1 VAL 35 0.222 -9.394 -22.230 295 1HG2 VAL 35 1HG2 VAL 35 0.062 -11.529 -21.745 296 2HG2 VAL 35 2HG2 VAL 35 -1.398 -11.498 -22.732 297 3HG2 VAL 35 3HG2 VAL 35 -1.419 -12.282 -21.152 298 H HIS 36 H HIS 36 -3.729 -9.372 -18.701 299 HA HIS 36 HA HIS 36 -5.276 -11.840 -19.090 300 1HB HIS 36 2HB HIS 36 -4.375 -10.884 -16.403 301 2HB HIS 36 1HB HIS 36 -6.007 -11.535 -16.546 302 HD1 HIS 36 HD1 HIS 36 -5.981 -13.941 -18.055 303 HD2 HIS 36 HD2 HIS 36 -2.563 -12.897 -15.909 304 HE1 HIS 36 HE1 HIS 36 -4.635 -16.067 -17.773 305 H GLU 37 H GLU 37 -7.614 -11.444 -18.386 306 HA GLU 37 HA GLU 37 -8.315 -8.622 -19.034 307 1HB GLU 37 2HB GLU 37 -10.619 -9.623 -19.414 308 2HB GLU 37 1HB GLU 37 -9.367 -10.209 -20.508 309 1HG GLU 37 2HG GLU 37 -9.130 -12.257 -19.296 310 2HG GLU 37 1HG GLU 37 -10.084 -11.644 -17.944 311 H GLY 38 H GLY 38 -9.626 -7.405 -17.624 312 1HA GLY 38 2HA GLY 38 -10.720 -8.691 -15.208 313 2HA GLY 38 1HA GLY 38 -9.431 -7.523 -14.924 314 H ILE 39 H ILE 39 -11.718 -6.836 -13.772 315 HA ILE 39 HA ILE 39 -13.229 -5.072 -15.630 316 HB ILE 39 HB ILE 39 -13.717 -5.812 -12.726 317 1HG1 ILE 39 2HG1 ILE 39 -15.829 -6.765 -14.157 318 2HG1 ILE 39 1HG1 ILE 39 -14.531 -6.951 -15.337 319 1HG2 ILE 39 1HG2 ILE 39 -15.748 -4.591 -12.854 320 2HG2 ILE 39 2HG2 ILE 39 -15.636 -4.434 -14.605 321 3HG2 ILE 39 3HG2 ILE 39 -14.543 -3.520 -13.566 322 1HD1 ILE 39 1HD1 ILE 39 -13.232 -8.288 -13.817 323 2HD1 ILE 39 2HD1 ILE 39 -14.868 -8.945 -13.808 324 3HD1 ILE 39 3HD1 ILE 39 -14.320 -7.926 -12.478 325 H VAL 40 H VAL 40 -13.448 -2.778 -15.107 326 HA VAL 40 HA VAL 40 -11.086 -1.787 -13.576 327 HB VAL 40 HB VAL 40 -12.808 -0.482 -15.697 328 1HG1 VAL 40 1HG1 VAL 40 -12.211 1.490 -14.780 329 2HG1 VAL 40 2HG1 VAL 40 -10.544 1.096 -15.199 330 3HG1 VAL 40 3HG1 VAL 40 -11.172 0.691 -13.602 331 1HG2 VAL 40 1HG2 VAL 40 -10.003 -0.437 -16.224 332 2HG2 VAL 40 2HG2 VAL 40 -11.255 -1.319 -17.098 333 3HG2 VAL 40 3HG2 VAL 40 -10.427 -2.078 -15.738 334 H TYR 41 H TYR 41 -11.337 -0.221 -11.956 335 HA TYR 41 HA TYR 41 -14.068 0.703 -11.286 336 1HB TYR 41 2HB TYR 41 -13.270 -1.552 -10.065 337 2HB TYR 41 1HB TYR 41 -12.476 -0.384 -9.008 338 HD1 TYR 41 HD1 TYR 41 -13.696 0.470 -7.215 339 HD2 TYR 41 HD2 TYR 41 -15.788 -0.901 -10.711 340 HE1 TYR 41 HE1 TYR 41 -15.864 0.937 -6.102 341 HE2 TYR 41 HE2 TYR 41 -17.956 -0.432 -9.597 342 HH TYR 41 HH TYR 41 -18.586 1.379 -7.494 343 H PHE 42 H PHE 42 -13.621 2.016 -8.967 344 HA PHE 42 HA PHE 42 -11.124 3.596 -9.379 345 1HB PHE 42 2HB PHE 42 -13.309 4.640 -10.357 346 2HB PHE 42 1HB PHE 42 -13.715 4.953 -8.669 347 HD1 PHE 42 HD1 PHE 42 -12.789 6.802 -7.534 348 HD2 PHE 42 HD2 PHE 42 -11.010 5.449 -11.205 349 HE1 PHE 42 HE1 PHE 42 -11.296 8.783 -7.541 350 HE2 PHE 42 HE2 PHE 42 -9.518 7.430 -11.212 351 HZ PHE 42 HZ PHE 42 -9.661 9.098 -9.381 352 H LYS 43 H LYS 43 -10.252 4.466 -7.450 353 HA LYS 43 HA LYS 43 -11.626 4.540 -4.943 354 1HB LYS 43 2HB LYS 43 -10.970 1.931 -5.714 355 2HB LYS 43 1HB LYS 43 -9.714 2.381 -4.560 356 1HG LYS 43 2HG LYS 43 -11.816 3.339 -3.217 357 2HG LYS 43 1HG LYS 43 -12.656 2.094 -4.143 358 1HD LYS 43 2HD LYS 43 -11.969 0.657 -2.536 359 2HD LYS 43 1HD LYS 43 -10.375 0.784 -3.280 360 1HE LYS 43 2HE LYS 43 -9.622 1.654 -1.344 361 2HE LYS 43 1HE LYS 43 -10.621 3.072 -1.663 362 1HZ LYS 43 1HZ LYS 43 -11.986 2.499 -0.034 363 2HZ LYS 43 2HZ LYS 43 -10.913 1.253 0.392 364 3HZ LYS 43 3HZ LYS 43 -12.201 0.942 -0.672 365 H ASP 44 H ASP 44 -10.376 5.614 -3.434 366 HA ASP 44 HA ASP 44 -8.571 6.863 -2.615 367 1HB ASP 44 2HB ASP 44 -7.289 4.410 -3.772 368 2HB ASP 44 1HB ASP 44 -6.266 5.727 -3.199 369 H GLY 45 H GLY 45 -9.541 7.101 -5.571 370 1HA GLY 45 2HA GLY 45 -9.037 8.877 -7.091 371 2HA GLY 45 1HA GLY 45 -7.469 9.069 -6.304 372 H ILE 46 H ILE 46 -6.787 6.225 -6.457 373 HA ILE 46 HA ILE 46 -5.728 6.224 -9.176 374 HB ILE 46 HB ILE 46 -4.568 4.197 -8.505 375 1HG1 ILE 46 2HG1 ILE 46 -6.070 4.241 -5.887 376 2HG1 ILE 46 1HG1 ILE 46 -6.689 3.341 -7.272 377 1HG2 ILE 46 1HG2 ILE 46 -3.498 5.014 -6.381 378 2HG2 ILE 46 2HG2 ILE 46 -4.748 6.255 -6.285 379 3HG2 ILE 46 3HG2 ILE 46 -3.612 6.250 -7.634 380 1HD1 ILE 46 1HD1 ILE 46 -5.201 2.030 -5.651 381 2HD1 ILE 46 2HD1 ILE 46 -3.860 2.998 -6.263 382 3HD1 ILE 46 3HD1 ILE 46 -4.757 1.944 -7.355 383 H PHE 47 H PHE 47 -5.898 3.301 -9.529 384 HA PHE 47 HA PHE 47 -8.809 3.115 -10.208 385 1HB PHE 47 2HB PHE 47 -6.366 2.607 -11.808 386 2HB PHE 47 1HB PHE 47 -7.650 1.410 -11.974 387 HD1 PHE 47 HD1 PHE 47 -7.694 5.124 -11.437 388 HD2 PHE 47 HD2 PHE 47 -8.855 1.820 -13.929 389 HE1 PHE 47 HE1 PHE 47 -8.958 6.675 -12.905 390 HE2 PHE 47 HE2 PHE 47 -10.119 3.371 -15.397 391 HZ PHE 47 HZ PHE 47 -10.171 5.798 -14.885 392 H LYS 48 H LYS 48 -9.636 0.861 -10.276 393 HA LYS 48 HA LYS 48 -8.056 -0.989 -8.542 394 1HB LYS 48 2HB LYS 48 -10.317 0.362 -7.703 395 2HB LYS 48 1HB LYS 48 -10.970 -1.188 -8.235 396 1HG LYS 48 2HG LYS 48 -8.675 -1.911 -6.853 397 2HG LYS 48 1HG LYS 48 -9.319 -0.574 -5.898 398 1HD LYS 48 2HD LYS 48 -11.547 -1.696 -5.898 399 2HD LYS 48 1HD LYS 48 -10.825 -3.065 -6.743 400 1HE LYS 48 2HE LYS 48 -10.933 -3.461 -4.300 401 2HE LYS 48 1HE LYS 48 -9.266 -3.419 -4.878 402 1HZ LYS 48 1HZ LYS 48 -9.753 -2.098 -2.813 403 2HZ LYS 48 2HZ LYS 48 -10.640 -1.030 -3.793 404 3HZ LYS 48 3HZ LYS 48 -8.977 -1.251 -4.061 405 H VAL 49 H VAL 49 -7.727 -2.865 -9.629 406 HA VAL 49 HA VAL 49 -9.608 -3.577 -11.826 407 HB VAL 49 HB VAL 49 -6.951 -4.884 -11.208 408 1HG1 VAL 49 1HG1 VAL 49 -7.133 -5.832 -13.324 409 2HG1 VAL 49 2HG1 VAL 49 -8.196 -4.557 -13.917 410 3HG1 VAL 49 3HG1 VAL 49 -8.826 -5.797 -12.832 411 1HG2 VAL 49 1HG2 VAL 49 -7.592 -2.295 -12.568 412 2HG2 VAL 49 2HG2 VAL 49 -6.310 -3.297 -13.246 413 3HG2 VAL 49 3HG2 VAL 49 -6.194 -2.724 -11.582 414 H ARG 50 H ARG 50 -11.036 -5.222 -11.499 415 HA ARG 50 HA ARG 50 -10.627 -6.932 -9.088 416 1HB ARG 50 2HB ARG 50 -12.849 -5.506 -9.932 417 2HB ARG 50 1HB ARG 50 -13.212 -7.154 -10.445 418 1HG ARG 50 2HG ARG 50 -13.820 -7.581 -8.317 419 2HG ARG 50 1HG ARG 50 -12.116 -7.436 -7.883 420 1HD ARG 50 2HD ARG 50 -12.596 -5.597 -6.682 421 2HD ARG 50 1HD ARG 50 -13.136 -4.795 -8.157 422 HE ARG 50 HE ARG 50 -15.417 -5.619 -7.672 423 1HH1 ARG 50 1HH2 ARG 50 -14.263 -7.770 -5.735 424 2HH1 ARG 50 2HH2 ARG 50 -14.840 -7.151 -4.224 425 1HH2 ARG 50 2HH1 ARG 50 -15.630 -4.026 -5.504 426 2HH2 ARG 50 1HH1 ARG 50 -15.613 -5.031 -4.093 427 H LEU 51 H LEU 51 -10.509 -9.161 -9.299 428 HA LEU 51 HA LEU 51 -10.358 -10.186 -12.095 429 1HB LEU 51 2HB LEU 51 -8.776 -10.604 -9.739 430 2HB LEU 51 1HB LEU 51 -9.501 -12.142 -10.208 431 HG LEU 51 HG LEU 51 -8.601 -11.970 -12.439 432 1HD1 LEU 51 1HD1 LEU 51 -6.939 -9.671 -12.306 433 2HD1 LEU 51 2HD1 LEU 51 -8.548 -9.167 -11.791 434 3HD1 LEU 51 3HD1 LEU 51 -8.327 -9.936 -13.363 435 1HD2 LEU 51 1HD2 LEU 51 -7.046 -12.782 -10.698 436 2HD2 LEU 51 2HD2 LEU 51 -6.506 -11.128 -10.408 437 3HD2 LEU 51 3HD2 LEU 51 -6.177 -11.905 -11.957 438 H LEU 52 H LEU 52 -12.824 -10.147 -12.003 439 HA LEU 52 HA LEU 52 -14.365 -11.744 -10.268 440 1HB LEU 52 2HB LEU 52 -14.992 -10.177 -12.349 441 2HB LEU 52 1HB LEU 52 -15.092 -11.739 -13.163 442 HG LEU 52 HG LEU 52 -16.363 -11.845 -10.555 443 1HD1 LEU 52 1HD1 LEU 52 -18.104 -10.270 -10.825 444 2HD1 LEU 52 2HD1 LEU 52 -17.714 -9.999 -12.522 445 3HD1 LEU 52 3HD1 LEU 52 -16.653 -9.369 -11.262 446 1HD2 LEU 52 1HD2 LEU 52 -18.319 -12.325 -12.343 447 2HD2 LEU 52 2HD2 LEU 52 -17.077 -13.519 -11.965 448 3HD2 LEU 52 3HD2 LEU 52 -16.924 -12.513 -13.406 449 H GLY 53 H GLY 53 -15.453 -13.875 -10.939 450 1HA GLY 53 2HA GLY 53 -15.320 -16.058 -11.913 451 2HA GLY 53 1HA GLY 53 -13.759 -15.624 -12.613 452 H TYR 54 H TYR 54 -12.588 -14.629 -10.167 453 HA TYR 54 HA TYR 54 -12.066 -17.246 -8.855 454 1HB TYR 54 2HB TYR 54 -10.259 -15.549 -9.788 455 2HB TYR 54 1HB TYR 54 -10.515 -14.755 -8.234 456 HD1 TYR 54 HD1 TYR 54 -9.039 -17.590 -9.949 457 HD2 TYR 54 HD2 TYR 54 -10.206 -16.075 -6.100 458 HE1 TYR 54 HE1 TYR 54 -7.606 -19.288 -8.846 459 HE2 TYR 54 HE2 TYR 54 -8.772 -17.773 -4.997 460 HH TYR 54 HH TYR 54 -7.550 -19.629 -5.311 461 H GLU 55 H GLU 55 -13.407 -14.076 -8.262 462 HA GLU 55 HA GLU 55 -14.441 -13.166 -6.363 463 1HB GLU 55 2HB GLU 55 -14.789 -16.124 -5.796 464 2HB GLU 55 1HB GLU 55 -15.601 -14.841 -4.900 465 1HG GLU 55 2HG GLU 55 -17.190 -14.730 -6.486 466 2HG GLU 55 1HG GLU 55 -15.963 -14.336 -7.692 467 H GLY 56 H GLY 56 -11.516 -13.853 -6.315 468 1HA GLY 56 2HA GLY 56 -11.110 -13.332 -3.466 469 2HA GLY 56 1HA GLY 56 -10.492 -14.899 -3.992 470 H HIS 57 H HIS 57 -10.537 -12.213 -6.209 471 HA HIS 57 HA HIS 57 -7.597 -11.859 -5.809 472 1HB HIS 57 2HB HIS 57 -9.115 -12.412 -8.355 473 2HB HIS 57 1HB HIS 57 -7.563 -11.574 -8.388 474 HD1 HIS 57 HD1 HIS 57 -8.263 -14.612 -9.374 475 HD2 HIS 57 HD2 HIS 57 -6.172 -13.477 -5.951 476 HE1 HIS 57 HE1 HIS 57 -6.834 -16.598 -8.716 477 H GLU 58 H GLU 58 -7.731 -9.818 -4.879 478 HA GLU 58 HA GLU 58 -9.289 -7.742 -6.344 479 1HB GLU 58 2HB GLU 58 -9.728 -7.971 -3.911 480 2HB GLU 58 1HB GLU 58 -8.027 -7.639 -3.585 481 1HG GLU 58 2HG GLU 58 -8.248 -5.431 -4.667 482 2HG GLU 58 1HG GLU 58 -9.951 -5.761 -4.992 483 H CYS 59 H CYS 59 -8.005 -6.855 -7.909 484 HA CYS 59 HA CYS 59 -5.157 -6.285 -7.214 485 1HB CYS 59 2HB CYS 59 -6.340 -6.164 -9.987 486 2HB CYS 59 1HB CYS 59 -4.653 -6.381 -9.522 487 HG CYS 59 HG CYS 59 -6.608 -8.618 -9.914 488 H ILE 60 H ILE 60 -4.299 -4.195 -7.940 489 HA ILE 60 HA ILE 60 -6.405 -2.092 -8.214 490 HB ILE 60 HB ILE 60 -4.846 -0.622 -6.856 491 1HG1 ILE 60 2HG1 ILE 60 -3.615 -3.197 -5.895 492 2HG1 ILE 60 1HG1 ILE 60 -2.925 -2.352 -7.281 493 1HG2 ILE 60 1HG2 ILE 60 -6.550 -2.820 -5.959 494 2HG2 ILE 60 2HG2 ILE 60 -6.455 -1.162 -5.361 495 3HG2 ILE 60 3HG2 ILE 60 -5.338 -2.385 -4.754 496 1HD1 ILE 60 1HD1 ILE 60 -3.523 -0.552 -5.052 497 2HD1 ILE 60 2HD1 ILE 60 -2.035 -0.732 -5.981 498 3HD1 ILE 60 3HD1 ILE 60 -2.361 -1.807 -4.621 499 H LEU 61 H LEU 61 -5.966 -0.564 -9.792 500 HA LEU 61 HA LEU 61 -3.506 -1.038 -11.388 501 1HB LEU 61 2HB LEU 61 -5.668 -1.072 -12.582 502 2HB LEU 61 1HB LEU 61 -5.982 0.580 -12.050 503 HG LEU 61 HG LEU 61 -3.531 0.927 -13.124 504 1HD1 LEU 61 1HD1 LEU 61 -2.922 -0.645 -14.632 505 2HD1 LEU 61 2HD1 LEU 61 -4.555 -0.762 -15.286 506 3HD1 LEU 61 3HD1 LEU 61 -4.111 -1.689 -13.852 507 1HD2 LEU 61 1HD2 LEU 61 -4.833 1.516 -15.281 508 2HD2 LEU 61 2HD2 LEU 61 -5.338 2.317 -13.792 509 3HD2 LEU 61 3HD2 LEU 61 -6.263 0.952 -14.418 510 H LEU 62 H LEU 62 -1.886 0.426 -11.439 511 HA LEU 62 HA LEU 62 -2.293 3.261 -10.979 512 1HB LEU 62 2HB LEU 62 -2.427 2.512 -8.645 513 2HB LEU 62 1HB LEU 62 -0.904 1.639 -8.823 514 HG LEU 62 HG LEU 62 -0.430 4.286 -9.723 515 1HD1 LEU 62 1HD1 LEU 62 -1.914 4.144 -7.082 516 2HD1 LEU 62 2HD1 LEU 62 -2.416 5.025 -8.525 517 3HD1 LEU 62 3HD1 LEU 62 -0.988 5.542 -7.629 518 1HD2 LEU 62 1HD2 LEU 62 0.377 3.451 -6.977 519 2HD2 LEU 62 2HD2 LEU 62 1.360 4.108 -8.286 520 3HD2 LEU 62 3HD2 LEU 62 0.885 2.409 -8.307 521 H ASP 63 H ASP 63 -0.059 0.519 -11.106 522 HA ASP 63 HA ASP 63 2.376 1.815 -11.547 523 1HB ASP 63 2HB ASP 63 1.201 -0.779 -12.327 524 2HB ASP 63 1HB ASP 63 2.510 -0.226 -13.374 525 H TYR 64 H TYR 64 -0.048 0.938 -14.032 526 HA TYR 64 HA TYR 64 1.149 3.088 -15.738 527 1HB TYR 64 2HB TYR 64 0.504 0.300 -16.318 528 2HB TYR 64 1HB TYR 64 -0.288 1.409 -17.440 529 HD1 TYR 64 HD1 TYR 64 1.030 2.940 -18.847 530 HD2 TYR 64 HD2 TYR 64 2.926 0.119 -16.220 531 HE1 TYR 64 HE1 TYR 64 3.185 3.294 -20.024 532 HE2 TYR 64 HE2 TYR 64 5.082 0.472 -17.397 533 HH TYR 64 HH TYR 64 5.762 1.254 -19.789 534 H LEU 65 H LEU 65 -0.834 3.669 -13.831 535 HA LEU 65 HA LEU 65 -3.514 3.524 -14.715 536 1HB LEU 65 2HB LEU 65 -2.956 4.340 -12.487 537 2HB LEU 65 1HB LEU 65 -2.106 5.724 -13.172 538 HG LEU 65 HG LEU 65 -4.511 6.023 -14.378 539 1HD1 LEU 65 1HD1 LEU 65 -6.023 5.679 -12.164 540 2HD1 LEU 65 2HD1 LEU 65 -4.909 4.325 -11.971 541 3HD1 LEU 65 3HD1 LEU 65 -5.892 4.458 -13.430 542 1HD2 LEU 65 1HD2 LEU 65 -4.266 7.004 -11.556 543 2HD2 LEU 65 2HD2 LEU 65 -4.743 7.886 -13.007 544 3HD2 LEU 65 3HD2 LEU 65 -3.046 7.498 -12.729 545 H ASN 66 H ASN 66 -1.902 6.679 -14.790 546 HA ASN 66 HA ASN 66 -1.873 7.028 -17.619 547 1HB ASN 66 2HB ASN 66 -3.881 8.341 -17.987 548 2HB ASN 66 1HB ASN 66 -4.355 6.788 -17.296 549 1HD2 ASN 66 1HD2 ASN 66 -6.263 8.605 -16.860 550 2HD2 ASN 66 2HD2 ASN 66 -6.204 9.261 -15.295 551 H TYR 67 H TYR 67 -2.860 9.824 -17.484 552 HA TYR 67 HA TYR 67 -0.549 10.945 -15.972 553 1HB TYR 67 2HB TYR 67 -2.123 11.877 -18.367 554 2HB TYR 67 1HB TYR 67 -1.168 13.020 -17.422 555 HD1 TYR 67 HD1 TYR 67 1.259 12.920 -17.388 556 HD2 TYR 67 HD2 TYR 67 -1.041 10.024 -19.579 557 HE1 TYR 67 HE1 TYR 67 3.320 12.154 -18.540 558 HE2 TYR 67 HE2 TYR 67 1.020 9.261 -20.732 559 HH TYR 67 HH TYR 67 4.119 10.912 -20.243 560 H ARG 68 H ARG 68 -0.915 12.927 -14.732 561 HA ARG 68 HA ARG 68 -3.516 12.869 -13.362 562 1HB ARG 68 2HB ARG 68 -1.039 14.562 -12.912 563 2HB ARG 68 1HB ARG 68 -2.465 14.570 -11.875 564 1HG ARG 68 2HG ARG 68 -2.133 12.299 -11.227 565 2HG ARG 68 1HG ARG 68 -0.944 12.035 -12.503 566 1HD ARG 68 2HD ARG 68 0.662 13.451 -11.418 567 2HD ARG 68 1HD ARG 68 -0.540 14.035 -10.267 568 HE ARG 68 HE ARG 68 -0.399 11.927 -9.104 569 1HH1 ARG 68 2HH1 ARG 68 0.071 10.247 -11.607 570 2HH1 ARG 68 1HH1 ARG 68 1.697 9.710 -11.348 571 1HH2 ARG 68 1HH2 ARG 68 2.362 12.060 -8.885 572 2HH2 ARG 68 2HH2 ARG 68 2.994 10.736 -9.807 573 H GLN 69 H GLN 69 -3.870 13.661 -16.003 574 HA GLN 69 HA GLN 69 -3.716 16.409 -16.585 575 1HB GLN 69 2HB GLN 69 -5.392 14.142 -17.480 576 2HB GLN 69 1HB GLN 69 -6.110 15.736 -17.718 577 1HG GLN 69 2HG GLN 69 -4.483 16.401 -19.214 578 2HG GLN 69 1HG GLN 69 -3.245 15.381 -18.481 579 1HE2 GLN 69 1HE2 GLN 69 -4.567 15.626 -21.359 580 2HE2 GLN 69 2HE2 GLN 69 -4.824 13.999 -21.774 581 H ASP 70 H ASP 70 -5.026 18.188 -16.073 582 HA ASP 70 HA ASP 70 -6.623 17.909 -13.627 583 1HB ASP 70 2HB ASP 70 -5.695 20.214 -15.322 584 2HB ASP 70 1HB ASP 70 -6.968 20.457 -14.127 585 H THR 71 H THR 71 -8.276 16.502 -14.668 586 HA THR 71 HA THR 71 -10.532 18.115 -15.599 587 HB THR 71 HB THR 71 -9.658 15.866 -17.412 588 HG1 THR 71 HG1 THR 71 -8.765 17.522 -18.728 589 1HG2 THR 71 1HG2 THR 71 -11.027 18.109 -18.612 590 2HG2 THR 71 2HG2 THR 71 -11.933 17.521 -17.217 591 3HG2 THR 71 3HG2 THR 71 -11.526 16.419 -18.533 592 H LEU 72 H LEU 72 -12.244 17.260 -14.525 593 HA LEU 72 HA LEU 72 -12.141 14.832 -13.057 594 1HB LEU 72 2HB LEU 72 -14.031 16.924 -13.498 595 2HB LEU 72 1HB LEU 72 -14.859 15.390 -13.773 596 HG LEU 72 HG LEU 72 -13.064 15.520 -11.404 597 1HD1 LEU 72 1HD1 LEU 72 -15.830 16.726 -11.263 598 2HD1 LEU 72 2HD1 LEU 72 -14.402 17.724 -11.535 599 3HD1 LEU 72 3HD1 LEU 72 -14.549 16.781 -10.053 600 1HD2 LEU 72 1HD2 LEU 72 -14.245 13.662 -10.927 601 2HD2 LEU 72 2HD2 LEU 72 -15.114 13.862 -12.449 602 3HD2 LEU 72 3HD2 LEU 72 -15.754 14.575 -10.968 603 H ASP 73 H ASP 73 -13.160 15.501 -16.364 604 HA ASP 73 HA ASP 73 -13.752 14.043 -18.106 605 1HB ASP 73 2HB ASP 73 -11.894 12.467 -16.371 606 2HB ASP 73 1HB ASP 73 -12.780 11.603 -17.628 607 H ARG 74 H ARG 74 -16.017 14.242 -17.376 608 HA ARG 74 HA ARG 74 -17.185 12.357 -15.542 609 1HB ARG 74 2HB ARG 74 -18.166 14.591 -16.318 610 2HB ARG 74 1HB ARG 74 -18.639 13.752 -17.795 611 1HG ARG 74 2HG ARG 74 -19.681 11.996 -16.155 612 2HG ARG 74 1HG ARG 74 -19.606 13.312 -14.983 613 1HD ARG 74 2HD ARG 74 -20.653 14.262 -17.513 614 2HD ARG 74 1HD ARG 74 -21.601 12.896 -16.922 615 HE ARG 74 HE ARG 74 -22.104 14.183 -14.913 616 1HH1 ARG 74 1HH2 ARG 74 -22.226 15.993 -17.547 617 2HH1 ARG 74 2HH2 ARG 74 -21.703 17.490 -16.852 618 1HH2 ARG 74 2HH1 ARG 74 -20.584 16.039 -13.908 619 2HH2 ARG 74 1HH1 ARG 74 -20.774 17.517 -14.790 620 H LEU 75 H LEU 75 -16.726 12.367 -19.057 621 HA LEU 75 HA LEU 75 -18.352 10.168 -19.743 622 1HB LEU 75 2HB LEU 75 -17.070 11.647 -21.342 623 2HB LEU 75 1HB LEU 75 -15.618 10.742 -20.915 624 HG LEU 75 HG LEU 75 -17.353 8.706 -21.461 625 1HD1 LEU 75 1HD1 LEU 75 -18.610 11.026 -22.476 626 2HD1 LEU 75 2HD1 LEU 75 -19.056 9.348 -22.786 627 3HD1 LEU 75 3HD1 LEU 75 -17.946 10.180 -23.874 628 1HD2 LEU 75 1HD2 LEU 75 -15.671 10.171 -23.518 629 2HD2 LEU 75 2HD2 LEU 75 -16.117 8.465 -23.547 630 3HD2 LEU 75 3HD2 LEU 75 -15.019 9.070 -22.305 631 H LYS 76 H LYS 76 -14.934 10.154 -18.681 632 HA LYS 76 HA LYS 76 -14.612 7.317 -18.762 633 1HB LYS 76 2HB LYS 76 -13.073 9.569 -17.934 634 2HB LYS 76 1HB LYS 76 -13.087 8.418 -16.597 635 1HG LYS 76 2HG LYS 76 -12.317 7.819 -19.468 636 2HG LYS 76 1HG LYS 76 -11.220 7.908 -18.090 637 1HD LYS 76 2HD LYS 76 -13.464 6.092 -17.617 638 2HD LYS 76 1HD LYS 76 -12.482 5.609 -19.000 639 1HE LYS 76 2HE LYS 76 -10.854 6.485 -16.736 640 2HE LYS 76 1HE LYS 76 -11.878 5.108 -16.334 641 1HZ LYS 76 1HZ LYS 76 -9.859 5.323 -18.484 642 2HZ LYS 76 2HZ LYS 76 -11.052 4.114 -18.492 643 3HZ LYS 76 3HZ LYS 76 -9.932 4.197 -17.218 644 H GLU 77 H GLU 77 -16.145 9.434 -16.445 645 HA GLU 77 HA GLU 77 -16.126 7.804 -14.139 646 1HB GLU 77 2HB GLU 77 -17.140 10.198 -14.576 647 2HB GLU 77 1HB GLU 77 -18.616 9.293 -14.918 648 1HG GLU 77 2HG GLU 77 -18.942 8.790 -12.735 649 2HG GLU 77 1HG GLU 77 -17.243 8.383 -12.489 650 H ARG 78 H ARG 78 -18.512 7.846 -16.808 651 HA ARG 78 HA ARG 78 -19.911 5.521 -15.742 652 1HB ARG 78 2HB ARG 78 -20.440 7.509 -17.674 653 2HB ARG 78 1HB ARG 78 -20.412 5.979 -18.554 654 1HG ARG 78 2HG ARG 78 -21.920 5.048 -16.717 655 2HG ARG 78 1HG ARG 78 -22.122 6.712 -16.169 656 1HD ARG 78 2HD ARG 78 -22.642 5.881 -19.029 657 2HD ARG 78 1HD ARG 78 -23.898 5.843 -17.793 658 HE ARG 78 HE ARG 78 -22.600 8.418 -17.842 659 1HH1 ARG 78 2HH1 ARG 78 -23.338 7.648 -20.741 660 2HH1 ARG 78 1HH1 ARG 78 -24.894 8.395 -20.877 661 1HH2 ARG 78 1HH2 ARG 78 -25.269 8.846 -17.459 662 2HH2 ARG 78 2HH2 ARG 78 -25.989 9.073 -19.018 663 H LEU 79 H LEU 79 -17.332 6.083 -18.061 664 HA LEU 79 HA LEU 79 -17.431 3.551 -19.385 665 1HB LEU 79 2HB LEU 79 -15.806 5.839 -19.489 666 2HB LEU 79 1HB LEU 79 -14.717 4.522 -19.052 667 HG LEU 79 HG LEU 79 -16.323 3.389 -21.010 668 1HD1 LEU 79 1HD1 LEU 79 -17.274 5.557 -21.602 669 2HD1 LEU 79 2HD1 LEU 79 -16.186 5.034 -22.886 670 3HD1 LEU 79 3HD1 LEU 79 -15.663 6.261 -21.734 671 1HD2 LEU 79 1HD2 LEU 79 -13.862 4.706 -21.978 672 2HD2 LEU 79 2HD2 LEU 79 -14.292 2.997 -21.968 673 3HD2 LEU 79 3HD2 LEU 79 -13.652 3.754 -20.509 674 H VAL 80 H VAL 80 -16.096 4.543 -16.283 675 HA VAL 80 HA VAL 80 -14.288 2.534 -15.683 676 HB VAL 80 HB VAL 80 -16.506 3.494 -13.852 677 1HG1 VAL 80 1HG1 VAL 80 -14.778 2.936 -12.083 678 2HG1 VAL 80 2HG1 VAL 80 -13.858 2.117 -13.345 679 3HG1 VAL 80 3HG1 VAL 80 -15.466 1.539 -12.910 680 1HG2 VAL 80 1HG2 VAL 80 -13.772 4.579 -14.551 681 2HG2 VAL 80 2HG2 VAL 80 -14.576 4.999 -13.038 682 3HG2 VAL 80 3HG2 VAL 80 -15.319 5.425 -14.580 683 H GLY 81 H GLY 81 -14.674 0.495 -14.388 684 1HA GLY 81 2HA GLY 81 -15.895 -1.507 -13.952 685 2HA GLY 81 1HA GLY 81 -17.275 -0.815 -14.803 686 H ARG 82 H ARG 82 -16.124 -0.146 -17.242 687 HA ARG 82 HA ARG 82 -16.390 -2.287 -18.890 688 1HB ARG 82 2HB ARG 82 -15.727 0.114 -19.503 689 2HB ARG 82 1HB ARG 82 -14.056 -0.412 -19.291 690 1HG ARG 82 2HG ARG 82 -14.093 -1.247 -21.378 691 2HG ARG 82 1HG ARG 82 -15.328 -2.395 -20.863 692 1HD ARG 82 2HD ARG 82 -16.770 -0.057 -21.168 693 2HD ARG 82 1HD ARG 82 -15.602 0.033 -22.486 694 HE ARG 82 HE ARG 82 -16.780 -2.591 -22.378 695 1HH1 ARG 82 1HH2 ARG 82 -16.341 -0.343 -24.599 696 2HH1 ARG 82 2HH2 ARG 82 -17.959 -0.268 -25.215 697 1HH2 ARG 82 2HH1 ARG 82 -19.329 -2.059 -22.581 698 2HH2 ARG 82 1HH1 ARG 82 -19.649 -1.240 -24.073 699 H VAL 83 H VAL 83 -15.071 -3.961 -19.740 700 HA VAL 83 HA VAL 83 -12.900 -4.810 -17.895 701 HB VAL 83 HB VAL 83 -14.357 -6.338 -20.074 702 1HG1 VAL 83 1HG1 VAL 83 -13.203 -8.273 -19.318 703 2HG1 VAL 83 2HG1 VAL 83 -12.621 -7.455 -17.868 704 3HG1 VAL 83 3HG1 VAL 83 -11.960 -7.028 -19.447 705 1HG2 VAL 83 1HG2 VAL 83 -15.994 -6.532 -18.533 706 2HG2 VAL 83 2HG2 VAL 83 -15.025 -5.679 -17.330 707 3HG2 VAL 83 3HG2 VAL 83 -14.854 -7.423 -17.523 708 H ILE 84 H ILE 84 -10.797 -5.173 -18.644 709 HA ILE 84 HA ILE 84 -10.234 -4.868 -21.530 710 HB ILE 84 HB ILE 84 -8.712 -3.041 -21.277 711 1HG1 ILE 84 2HG1 ILE 84 -7.708 -3.738 -19.145 712 2HG1 ILE 84 1HG1 ILE 84 -8.216 -2.052 -19.053 713 1HG2 ILE 84 1HG2 ILE 84 -10.989 -2.267 -21.428 714 2HG2 ILE 84 2HG2 ILE 84 -10.172 -1.268 -20.226 715 3HG2 ILE 84 3HG2 ILE 84 -11.260 -2.556 -19.710 716 1HD1 ILE 84 1HD1 ILE 84 -9.331 -4.447 -17.676 717 2HD1 ILE 84 2HD1 ILE 84 -10.478 -3.206 -18.176 718 3HD1 ILE 84 3HD1 ILE 84 -9.153 -2.793 -17.089 719 H LYS 85 H LYS 85 -7.784 -5.207 -21.890 720 HA LYS 85 HA LYS 85 -6.916 -7.413 -20.091 721 1HB LYS 85 2HB LYS 85 -6.320 -6.655 -22.939 722 2HB LYS 85 1HB LYS 85 -5.178 -7.665 -22.051 723 1HG LYS 85 2HG LYS 85 -7.966 -8.516 -21.716 724 2HG LYS 85 1HG LYS 85 -7.416 -8.588 -23.390 725 1HD LYS 85 2HD LYS 85 -5.291 -9.591 -21.810 726 2HD LYS 85 1HD LYS 85 -6.764 -10.352 -21.207 727 1HE LYS 85 2HE LYS 85 -6.203 -11.794 -22.947 728 2HE LYS 85 1HE LYS 85 -7.286 -10.673 -23.774 729 1HZ LYS 85 1HZ LYS 85 -4.652 -9.652 -23.760 730 2HZ LYS 85 2HZ LYS 85 -5.641 -10.035 -25.087 731 3HZ LYS 85 3HZ LYS 85 -4.646 -11.225 -24.395 732 H THR 86 H THR 86 -5.581 -6.731 -18.484 733 HA THR 86 HA THR 86 -3.593 -4.590 -19.139 734 HB THR 86 HB THR 86 -3.620 -4.060 -16.715 735 HG1 THR 86 HG1 THR 86 -5.586 -6.098 -16.723 736 1HG2 THR 86 1HG2 THR 86 -6.317 -3.604 -16.800 737 2HG2 THR 86 2HG2 THR 86 -5.952 -3.852 -18.507 738 3HG2 THR 86 3HG2 THR 86 -5.113 -2.593 -17.600 739 H ARG 87 H ARG 87 -1.629 -4.791 -17.513 740 HA ARG 87 HA ARG 87 -0.740 -7.631 -17.662 741 1HB ARG 87 2HB ARG 87 0.701 -4.989 -17.621 742 2HB ARG 87 1HB ARG 87 1.546 -6.464 -17.155 743 1HG ARG 87 2HG ARG 87 1.836 -5.994 -19.566 744 2HG ARG 87 1HG ARG 87 0.952 -7.499 -19.311 745 1HD ARG 87 2HD ARG 87 -0.973 -6.668 -20.200 746 2HD ARG 87 1HD ARG 87 -0.738 -5.079 -19.472 747 HE ARG 87 HE ARG 87 0.805 -4.552 -21.343 748 1HH1 ARG 87 1HH2 ARG 87 -2.046 -5.804 -22.151 749 2HH1 ARG 87 2HH2 ARG 87 -1.559 -6.599 -23.611 750 1HH2 ARG 87 2HH1 ARG 87 1.833 -6.260 -22.983 751 2HH2 ARG 87 1HH1 ARG 87 0.635 -6.859 -24.080 752 H VAL 88 H VAL 88 0.574 -8.436 -15.811 753 HA VAL 88 HA VAL 88 -0.602 -7.496 -13.252 754 HB VAL 88 HB VAL 88 1.018 -9.981 -13.892 755 1HG1 VAL 88 1HG1 VAL 88 0.151 -8.734 -11.396 756 2HG1 VAL 88 2HG1 VAL 88 1.271 -10.074 -11.649 757 3HG1 VAL 88 3HG1 VAL 88 -0.464 -10.378 -11.567 758 1HG2 VAL 88 1HG2 VAL 88 -1.161 -11.137 -13.662 759 2HG2 VAL 88 2HG2 VAL 88 -1.198 -9.962 -14.977 760 3HG2 VAL 88 3HG2 VAL 88 -1.957 -9.580 -13.432 761 H VAL 89 H VAL 89 0.596 -6.238 -11.928 762 HA VAL 89 HA VAL 89 3.409 -5.754 -12.590 763 HB VAL 89 HB VAL 89 1.616 -4.602 -10.444 764 1HG1 VAL 89 1HG1 VAL 89 3.345 -3.125 -9.863 765 2HG1 VAL 89 2HG1 VAL 89 4.230 -3.424 -11.359 766 3HG1 VAL 89 3HG1 VAL 89 4.206 -4.648 -10.089 767 1HG2 VAL 89 1HG2 VAL 89 1.589 -2.626 -11.906 768 2HG2 VAL 89 2HG2 VAL 89 0.997 -4.038 -12.781 769 3HG2 VAL 89 3HG2 VAL 89 2.637 -3.453 -13.059 770 H ARG 90 H ARG 90 1.557 -7.232 -9.937 771 HA ARG 90 HA ARG 90 3.620 -9.030 -9.206 772 1HB ARG 90 2HB ARG 90 4.466 -6.573 -8.512 773 2HB ARG 90 1HB ARG 90 3.514 -6.949 -7.077 774 1HG ARG 90 2HG ARG 90 4.785 -8.940 -6.651 775 2HG ARG 90 1HG ARG 90 5.590 -8.832 -8.216 776 1HD ARG 90 2HD ARG 90 7.206 -7.573 -7.289 777 2HD ARG 90 1HD ARG 90 6.002 -6.355 -6.868 778 HE ARG 90 HE ARG 90 6.512 -8.680 -5.063 779 1HH1 ARG 90 2HH1 ARG 90 4.486 -6.396 -4.598 780 2HH1 ARG 90 1HH1 ARG 90 5.354 -5.439 -3.445 781 1HH2 ARG 90 1HH2 ARG 90 8.398 -6.979 -4.059 782 2HH2 ARG 90 2HH2 ARG 90 7.569 -5.767 -3.140 783 H ALA 91 H ALA 91 2.045 -10.523 -8.720 784 HA ALA 91 HA ALA 91 -0.108 -9.744 -6.819 785 1HB ALA 91 1HB ALA 91 -0.630 -10.953 -9.001 786 2HB ALA 91 2HB ALA 91 -1.272 -11.713 -7.545 787 3HB ALA 91 3HB ALA 91 0.176 -12.362 -8.312 788 H ASP 92 H ASP 92 0.133 -10.287 -4.702 789 HA ASP 92 HA ASP 92 2.051 -12.491 -4.051 790 1HB ASP 92 2HB ASP 92 1.363 -9.934 -2.594 791 2HB ASP 92 1HB ASP 92 2.164 -11.280 -1.784 792 H GLY 93 H GLY 93 -1.179 -11.259 -3.650 793 1HA GLY 93 2HA GLY 93 -2.182 -13.768 -2.712 794 2HA GLY 93 1HA GLY 93 -2.008 -12.671 -1.341 795 H LEU 94 H LEU 94 -4.125 -12.128 -0.917 796 HA LEU 94 HA LEU 94 -6.193 -11.794 -2.822 797 1HB LEU 94 2HB LEU 94 -5.759 -11.115 0.007 798 2HB LEU 94 1HB LEU 94 -6.875 -10.026 -0.820 799 HG LEU 94 HG LEU 94 -8.214 -11.928 -1.582 800 1HD1 LEU 94 1HD1 LEU 94 -7.622 -14.160 -1.252 801 2HD1 LEU 94 2HD1 LEU 94 -6.561 -13.783 0.105 802 3HD1 LEU 94 3HD1 LEU 94 -6.045 -13.424 -1.544 803 1HD2 LEU 94 1HD2 LEU 94 -8.041 -12.808 1.182 804 2HD2 LEU 94 2HD2 LEU 94 -9.325 -11.901 0.382 805 3HD2 LEU 94 3HD2 LEU 94 -7.944 -11.051 1.075 806 H TYR 95 H TYR 95 -3.718 -9.547 -1.710 807 HA TYR 95 HA TYR 95 -4.913 -7.393 -3.378 808 1HB TYR 95 2HB TYR 95 -2.851 -7.471 -1.191 809 2HB TYR 95 1HB TYR 95 -2.879 -6.113 -2.315 810 HD1 TYR 95 HD1 TYR 95 -3.529 -4.509 -0.567 811 HD2 TYR 95 HD2 TYR 95 -5.956 -7.938 -1.475 812 HE1 TYR 95 HE1 TYR 95 -5.417 -3.505 0.691 813 HE2 TYR 95 HE2 TYR 95 -7.844 -6.934 -0.218 814 HH TYR 95 HH TYR 95 -8.523 -5.231 1.029 815 H VAL 96 H VAL 96 -4.022 -6.869 -5.340 816 HA VAL 96 HA VAL 96 -1.269 -7.863 -5.928 817 HB VAL 96 HB VAL 96 -3.685 -8.142 -7.743 818 1HG1 VAL 96 1HG1 VAL 96 -1.902 -7.797 -9.213 819 2HG1 VAL 96 2HG1 VAL 96 -1.869 -9.549 -9.017 820 3HG1 VAL 96 3HG1 VAL 96 -0.730 -8.541 -8.125 821 1HG2 VAL 96 1HG2 VAL 96 -3.882 -9.908 -6.225 822 2HG2 VAL 96 2HG2 VAL 96 -2.139 -10.026 -5.983 823 3HG2 VAL 96 3HG2 VAL 96 -2.865 -10.633 -7.472 824 H ASP 97 H ASP 97 -0.238 -6.699 -7.722 825 HA ASP 97 HA ASP 97 -1.223 -3.894 -7.897 826 1HB ASP 97 2HB ASP 97 1.117 -4.298 -7.126 827 2HB ASP 97 1HB ASP 97 1.471 -5.057 -8.677 828 H LEU 98 H LEU 98 -1.376 -2.873 -10.020 829 HA LEU 98 HA LEU 98 -1.298 -4.765 -12.324 830 1HB LEU 98 2HB LEU 98 -3.656 -3.871 -11.045 831 2HB LEU 98 1HB LEU 98 -3.551 -2.983 -12.564 832 HG LEU 98 HG LEU 98 -4.750 -5.228 -12.684 833 1HD1 LEU 98 1HD1 LEU 98 -3.297 -5.920 -14.749 834 2HD1 LEU 98 2HD1 LEU 98 -2.392 -4.453 -14.379 835 3HD1 LEU 98 3HD1 LEU 98 -4.108 -4.354 -14.758 836 1HD2 LEU 98 1HD2 LEU 98 -3.562 -7.226 -12.442 837 2HD2 LEU 98 2HD2 LEU 98 -2.831 -6.235 -11.178 838 3HD2 LEU 98 3HD2 LEU 98 -2.005 -6.445 -12.720 839 H ARG 99 H ARG 99 -0.683 -3.842 -14.255 840 HA ARG 99 HA ARG 99 -0.362 -0.867 -14.286 841 1HB ARG 99 2HB ARG 99 1.717 -1.138 -15.547 842 2HB ARG 99 1HB ARG 99 1.839 -2.011 -14.020 843 1HG ARG 99 2HG ARG 99 0.996 -4.063 -15.335 844 2HG ARG 99 1HG ARG 99 1.381 -3.132 -16.783 845 1HD ARG 99 2HD ARG 99 3.508 -3.136 -14.742 846 2HD ARG 99 1HD ARG 99 3.173 -4.718 -15.449 847 HE ARG 99 HE ARG 99 3.762 -2.337 -17.161 848 1HH1 ARG 99 2HH1 ARG 99 2.979 -5.097 -18.244 849 2HH1 ARG 99 1HH1 ARG 99 4.534 -5.732 -18.667 850 1HH2 ARG 99 1HH2 ARG 99 6.291 -3.375 -16.830 851 2HH2 ARG 99 2HH2 ARG 99 6.408 -4.757 -17.868 852 H ARG 100 H ARG 100 -1.611 -0.031 -15.879 853 HA ARG 100 HA ARG 100 -2.834 -1.700 -17.902 854 1HB ARG 100 2HB ARG 100 -3.524 0.667 -16.821 855 2HB ARG 100 1HB ARG 100 -2.728 1.251 -18.283 856 1HG ARG 100 2HG ARG 100 -4.278 0.261 -19.693 857 2HG ARG 100 1HG ARG 100 -4.676 -1.008 -18.534 858 1HD ARG 100 2HD ARG 100 -5.841 0.647 -17.120 859 2HD ARG 100 1HD ARG 100 -5.450 1.914 -18.283 860 HE ARG 100 HE ARG 100 -7.237 -0.403 -18.905 861 1HH1 ARG 100 2HH1 ARG 100 -5.922 1.412 -21.057 862 2HH1 ARG 100 1HH1 ARG 100 -7.247 2.471 -21.411 863 1HH2 ARG 100 1HH2 ARG 100 -9.059 1.577 -18.593 864 2HH2 ARG 100 2HH2 ARG 100 -9.023 2.563 -20.016 865 H PHE 101 H PHE 101 -2.581 -1.241 -20.277 866 HA PHE 101 HA PHE 101 0.274 -1.180 -20.953 867 1HB PHE 101 2HB PHE 101 -0.455 -1.763 -23.202 868 2HB PHE 101 1HB PHE 101 -1.329 -2.766 -22.043 869 HD1 PHE 101 HD1 PHE 101 -1.578 0.102 -24.359 870 HD2 PHE 101 HD2 PHE 101 -3.706 -2.462 -21.645 871 HE1 PHE 101 HE1 PHE 101 -3.732 0.960 -25.238 872 HE2 PHE 101 HE2 PHE 101 -5.862 -1.605 -22.526 873 HZ PHE 101 HZ PHE 101 -5.874 0.107 -24.322 874 H PHE 102 HN PHE 102 0.880 0.184 -22.967 875 HA PHE 102 HA PHE 102 1.166 2.315 -23.906 876 1HB PHE 102 2HB PHE 102 -1.166 2.075 -24.619 877 2HB PHE 102 1HB PHE 102 -1.726 2.615 -23.035 878 HD1 PHE 102 HD1 PHE 102 0.939 3.818 -25.392 879 HD2 PHE 102 HD2 PHE 102 -2.601 4.772 -23.151 880 HE1 PHE 102 HE1 PHE 102 1.103 6.179 -26.138 881 HE2 PHE 102 HE2 PHE 102 -2.437 7.132 -23.897 882 HZ PHE 102 HZ PHE 102 -0.584 7.836 -25.391
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