NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
18015 | 2dc2 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HT1 PRO 9 HT2 PRO 9 -16.500 -1.497 3.909 2 HT2 PRO 9 HT1 PRO 9 -14.916 -1.076 3.777 3 HA PRO 9 HA PRO 9 -16.512 -1.844 1.890 4 1HB PRO 9 HB2 PRO 9 -16.053 0.826 0.867 5 2HB PRO 9 HB1 PRO 9 -17.560 -0.097 0.937 6 1HG PRO 9 HG2 PRO 9 -17.073 2.095 2.486 7 2HG PRO 9 HG1 PRO 9 -18.152 0.774 2.966 8 1HD PRO 9 HD2 PRO 9 -15.303 1.284 3.773 9 2HD PRO 9 HD1 PRO 9 -16.679 0.781 4.775 10 H ILE 10 HN ILE 10 -14.979 -2.912 0.811 11 HA ILE 10 HA ILE 10 -12.243 -2.015 0.797 12 HB ILE 10 HB ILE 10 -12.781 -4.410 0.986 13 1HG1 ILE 10 HG12 ILE 10 -11.380 -4.339 -1.619 14 2HG1 ILE 10 HG11 ILE 10 -10.722 -3.282 -0.375 15 1HG2 ILE 10 HG21 ILE 10 -14.681 -4.049 -0.851 16 2HG2 ILE 10 HG22 ILE 10 -13.953 -5.622 -0.528 17 3HG2 ILE 10 HG23 ILE 10 -13.399 -4.658 -1.896 18 1HD1 ILE 10 HD11 ILE 10 -10.852 -5.431 1.101 19 2HD1 ILE 10 HD12 ILE 10 -9.519 -5.193 -0.029 20 3HD1 ILE 10 HD13 ILE 10 -10.862 -6.250 -0.460 21 H ARG 11 HN ARG 11 -11.118 -1.062 -0.810 22 HA ARG 11 HA ARG 11 -12.537 -0.547 -3.343 23 1HB ARG 11 HB2 ARG 11 -11.481 1.300 -1.456 24 2HB ARG 11 HB1 ARG 11 -10.478 1.393 -2.897 25 1HG ARG 11 HG2 ARG 11 -13.479 1.571 -2.970 26 2HG ARG 11 HG1 ARG 11 -12.425 2.977 -2.808 27 1HD ARG 11 HD2 ARG 11 -11.268 2.147 -4.922 28 2HD ARG 11 HD1 ARG 11 -12.644 1.062 -5.113 29 HE ARG 11 HE ARG 11 -12.587 3.882 -5.607 30 1HH1 ARG 11 HH11 ARG 11 -14.661 1.210 -4.706 31 2HH1 ARG 11 HH12 ARG 11 -16.101 1.962 -5.304 32 1HH2 ARG 11 HH21 ARG 11 -14.489 4.876 -6.390 33 2HH2 ARG 11 HH22 ARG 11 -16.004 4.045 -6.262 34 H LYS 12 HN LYS 12 -11.591 -1.269 -5.132 35 HA LYS 12 HA LYS 12 -8.830 -2.250 -4.969 36 1HB LYS 12 HB2 LYS 12 -10.787 -2.753 -7.214 37 2HB LYS 12 HB1 LYS 12 -9.322 -3.647 -6.837 38 1HG LYS 12 HG2 LYS 12 -11.672 -3.552 -4.969 39 2HG LYS 12 HG1 LYS 12 -11.524 -4.750 -6.257 40 1HD LYS 12 HD2 LYS 12 -9.095 -4.981 -5.107 41 2HD LYS 12 HD1 LYS 12 -10.059 -4.509 -3.706 42 1HE LYS 12 HE2 LYS 12 -11.162 -6.621 -5.472 43 2HE LYS 12 HE1 LYS 12 -9.774 -7.049 -4.474 44 1HZ LYS 12 HZ1 LYS 12 -12.090 -7.407 -3.510 45 2HZ LYS 12 HZ2 LYS 12 -12.148 -5.729 -3.308 46 3HZ LYS 12 HZ3 LYS 12 -10.952 -6.634 -2.527 47 H VAL 13 HN VAL 13 -7.296 -0.902 -5.678 48 HA VAL 13 HA VAL 13 -7.864 0.728 -8.068 49 HB VAL 13 HB VAL 13 -6.171 1.680 -5.753 50 1HG1 VAL 13 HG11 VAL 13 -5.423 2.889 -7.551 51 2HG1 VAL 13 HG12 VAL 13 -6.763 3.907 -7.022 52 3HG1 VAL 13 HG13 VAL 13 -6.972 2.813 -8.389 53 1HG2 VAL 13 HG21 VAL 13 -9.083 1.886 -6.240 54 2HG2 VAL 13 HG22 VAL 13 -8.263 3.352 -5.704 55 3HG2 VAL 13 HG23 VAL 13 -8.180 1.888 -4.724 56 H LEU 14 HN LEU 14 -6.426 0.529 -9.664 57 HA LEU 14 HA LEU 14 -3.972 -0.992 -9.154 58 1HB LEU 14 HB2 LEU 14 -5.647 -0.465 -11.579 59 2HB LEU 14 HB1 LEU 14 -3.959 -0.896 -11.780 60 HG LEU 14 HG LEU 14 -4.594 -2.910 -10.211 61 1HD1 LEU 14 HD11 LEU 14 -7.210 -1.802 -11.049 62 2HD1 LEU 14 HD12 LEU 14 -6.763 -2.685 -9.590 63 3HD1 LEU 14 HD13 LEU 14 -7.018 -3.554 -11.102 64 1HD2 LEU 14 HD21 LEU 14 -4.487 -4.197 -12.066 65 2HD2 LEU 14 HD22 LEU 14 -4.065 -2.664 -12.829 66 3HD2 LEU 14 HD23 LEU 14 -5.720 -3.267 -12.918 67 H LEU 15 HN LEU 15 -2.108 0.054 -8.947 68 HA LEU 15 HA LEU 15 -1.835 2.721 -10.175 69 1HB LEU 15 HB2 LEU 15 -1.590 2.051 -7.530 70 2HB LEU 15 HB1 LEU 15 0.077 1.991 -8.068 71 HG LEU 15 HG LEU 15 -1.747 4.378 -8.391 72 1HD1 LEU 15 HD11 LEU 15 -0.972 3.648 -6.023 73 2HD1 LEU 15 HD12 LEU 15 -0.802 5.333 -6.515 74 3HD1 LEU 15 HD13 LEU 15 0.598 4.261 -6.543 75 1HD2 LEU 15 HD21 LEU 15 -0.219 4.795 -10.010 76 2HD2 LEU 15 HD22 LEU 15 0.995 3.735 -9.295 77 3HD2 LEU 15 HD23 LEU 15 0.734 5.348 -8.633 78 H LEU 16 HN LEU 16 -0.120 3.168 -11.468 79 HA LEU 16 HA LEU 16 1.577 0.905 -12.229 80 1HB LEU 16 HB2 LEU 16 0.236 2.867 -13.705 81 2HB LEU 16 HB1 LEU 16 1.928 3.312 -13.807 82 HG LEU 16 HG LEU 16 2.193 0.732 -14.413 83 1HD1 LEU 16 HD11 LEU 16 -0.066 0.053 -14.195 84 2HD1 LEU 16 HD12 LEU 16 0.277 0.118 -15.924 85 3HD1 LEU 16 HD13 LEU 16 -0.641 1.414 -15.158 86 1HD2 LEU 16 HD21 LEU 16 3.025 2.357 -15.883 87 2HD2 LEU 16 HD22 LEU 16 1.423 3.027 -16.191 88 3HD2 LEU 16 HD23 LEU 16 1.859 1.448 -16.842 89 H LYS 17 HN LYS 17 3.515 0.770 -11.306 90 HA LYS 17 HA LYS 17 4.869 3.252 -10.486 91 1HB LYS 17 HB2 LYS 17 4.320 0.976 -9.004 92 2HB LYS 17 HB1 LYS 17 6.007 0.765 -9.454 93 1HG LYS 17 HG2 LYS 17 5.534 3.459 -8.556 94 2HG LYS 17 HG1 LYS 17 4.977 2.293 -7.355 95 1HD LYS 17 HD2 LYS 17 7.585 1.647 -8.527 96 2HD LYS 17 HD1 LYS 17 7.555 3.170 -7.637 97 1HE LYS 17 HE2 LYS 17 8.018 1.770 -5.906 98 2HE LYS 17 HE1 LYS 17 6.258 1.669 -5.869 99 1HZ LYS 17 HZ1 LYS 17 7.988 -0.250 -7.335 100 2HZ LYS 17 HZ2 LYS 17 6.327 -0.381 -7.049 101 3HZ LYS 17 HZ3 LYS 17 7.417 -0.510 -5.764 102 H GLU 18 HN GLU 18 6.987 3.628 -11.065 103 HA GLU 18 HA GLU 18 8.062 1.858 -13.162 104 1HB GLU 18 HB2 GLU 18 7.808 4.790 -12.952 105 2HB GLU 18 HB1 GLU 18 9.357 4.220 -13.559 106 1HG GLU 18 HG2 GLU 18 6.893 3.062 -14.743 107 2HG GLU 18 HG1 GLU 18 7.313 4.723 -15.156 108 H ASP 19 HN ASP 19 10.403 1.745 -13.343 109 HA ASP 19 HA ASP 19 11.673 1.117 -10.926 110 1HB ASP 19 HB2 ASP 19 12.769 1.663 -13.687 111 2HB ASP 19 HB1 ASP 19 13.802 1.191 -12.344 112 H HIS 20 HN HIS 20 11.727 4.057 -12.872 113 HA HIS 20 HA HIS 20 13.711 5.353 -11.255 114 1HB HIS 20 HB2 HIS 20 13.183 7.355 -12.614 115 2HB HIS 20 HB1 HIS 20 13.536 5.943 -13.599 116 HD1 HIS 20 HD1 HIS 20 10.761 8.260 -12.649 117 HD2 HIS 20 HD2 HIS 20 11.407 5.016 -15.163 118 HE1 HIS 20 HE1 HIS 20 8.758 8.177 -14.167 119 HE2 HIS 20 HE2 HIS 20 9.098 6.106 -15.564 120 H GLU 21 HN GLU 21 10.213 5.149 -11.235 121 HA GLU 21 HA GLU 21 9.956 7.358 -9.354 122 1HB GLU 21 HB2 GLU 21 7.939 5.529 -10.656 123 2HB GLU 21 HB1 GLU 21 7.502 6.705 -9.424 124 1HG GLU 21 HG2 GLU 21 9.046 8.016 -11.420 125 2HG GLU 21 HG1 GLU 21 7.771 7.086 -12.206 126 H GLY 22 HN GLY 22 8.818 7.076 -7.307 127 1HA GLY 22 HA2 GLY 22 9.544 4.510 -6.044 128 2HA GLY 22 HA1 GLY 22 9.427 6.050 -5.206 129 H LEU 23 HN LEU 23 8.088 4.694 -3.724 130 HA LEU 23 HA LEU 23 5.568 3.687 -4.526 131 1HB LEU 23 HB2 LEU 23 7.078 3.807 -2.130 132 2HB LEU 23 HB1 LEU 23 5.518 4.521 -1.777 133 HG LEU 23 HG LEU 23 5.972 1.756 -2.909 134 1HD1 LEU 23 HD11 LEU 23 5.759 0.909 -0.825 135 2HD1 LEU 23 HD12 LEU 23 4.673 2.191 -0.293 136 3HD1 LEU 23 HD13 LEU 23 6.411 2.482 -0.368 137 1HD2 LEU 23 HD21 LEU 23 3.397 3.025 -1.989 138 2HD2 LEU 23 HD22 LEU 23 3.608 1.430 -2.711 139 3HD2 LEU 23 HD23 LEU 23 3.880 2.879 -3.678 140 H GLY 24 HN GLY 24 6.546 6.778 -3.070 141 1HA GLY 24 HA2 GLY 24 5.559 8.860 -3.364 142 2HA GLY 24 HA1 GLY 24 4.264 8.097 -4.266 143 H ILE 25 HN ILE 25 4.624 6.417 -1.403 144 HA ILE 25 HA ILE 25 2.984 8.209 0.203 145 HB ILE 25 HB ILE 25 1.363 6.357 0.707 146 1HG1 ILE 25 HG12 ILE 25 1.301 4.844 -1.569 147 2HG1 ILE 25 HG11 ILE 25 3.034 5.019 -1.319 148 1HG2 ILE 25 HG21 ILE 25 1.028 6.928 -2.176 149 2HG2 ILE 25 HG22 ILE 25 1.193 8.310 -1.094 150 3HG2 ILE 25 HG23 ILE 25 -0.098 7.138 -0.836 151 1HD1 ILE 25 HD11 ILE 25 2.724 3.173 -0.072 152 2HD1 ILE 25 HD12 ILE 25 1.031 3.544 0.253 153 3HD1 ILE 25 HD13 ILE 25 2.303 4.357 1.164 154 H SER 26 HN SER 26 3.040 7.762 2.419 155 HA SER 26 HA SER 26 5.088 5.799 3.212 156 1HB SER 26 HB2 SER 26 4.154 8.116 4.897 157 2HB SER 26 HB1 SER 26 5.635 7.179 5.056 158 HG SER 26 HG SER 26 5.015 9.245 3.282 159 H ILE 27 HN ILE 27 4.656 4.290 4.765 160 HA ILE 27 HA ILE 27 1.869 4.167 5.727 161 HB ILE 27 HB ILE 27 2.253 1.677 5.884 162 1HG1 ILE 27 HG12 ILE 27 4.571 2.249 4.026 163 2HG1 ILE 27 HG11 ILE 27 4.765 1.855 5.731 164 1HG2 ILE 27 HG21 ILE 27 0.865 2.107 4.151 165 2HG2 ILE 27 HG22 ILE 27 2.246 1.538 3.215 166 3HG2 ILE 27 HG23 ILE 27 1.966 3.268 3.409 167 1HD1 ILE 27 HD11 ILE 27 4.663 0.085 3.599 168 2HD1 ILE 27 HD12 ILE 27 3.103 -0.087 4.402 169 3HD1 ILE 27 HD13 ILE 27 4.595 -0.313 5.315 170 H THR 28 HN THR 28 1.490 3.192 7.804 171 HA THR 28 HA THR 28 3.792 2.978 9.587 172 HB THR 28 HB THR 28 3.126 5.322 9.749 173 HG1 THR 28 HG1 THR 28 3.770 4.781 11.699 174 1HG2 THR 28 HG21 THR 28 0.608 4.668 9.241 175 2HG2 THR 28 HG22 THR 28 1.047 6.128 10.127 176 3HG2 THR 28 HG23 THR 28 0.522 4.689 11.002 177 H GLY 29 HN GLY 29 3.322 1.924 11.618 178 1HA GLY 29 HA2 GLY 29 1.447 0.913 12.972 179 2HA GLY 29 HA1 GLY 29 0.924 0.201 11.453 180 H GLY 30 HN GLY 30 1.123 -1.931 12.241 181 1HA GLY 30 HA2 GLY 30 3.457 -3.285 11.693 182 2HA GLY 30 HA1 GLY 30 3.560 -2.890 13.399 183 H LYS 31 HN LYS 31 2.439 -5.104 11.131 184 HA LYS 31 HA LYS 31 0.134 -6.159 12.304 185 1HB LYS 31 HB2 LYS 31 1.382 -6.736 10.056 186 2HB LYS 31 HB1 LYS 31 2.137 -7.985 11.037 187 1HG LYS 31 HG2 LYS 31 -0.831 -7.716 11.059 188 2HG LYS 31 HG1 LYS 31 -0.037 -8.482 9.682 189 1HD LYS 31 HD2 LYS 31 0.458 -10.336 10.848 190 2HD LYS 31 HD1 LYS 31 0.927 -9.422 12.283 191 1HE LYS 31 HE2 LYS 31 -1.512 -9.060 12.736 192 2HE LYS 31 HE1 LYS 31 -1.859 -10.177 11.418 193 1HZ LYS 31 HZ1 LYS 31 -1.928 -11.346 13.493 194 2HZ LYS 31 HZ2 LYS 31 -0.384 -10.801 13.919 195 3HZ LYS 31 HZ3 LYS 31 -0.574 -11.875 12.626 196 H GLU 32 HN GLU 32 3.539 -6.729 13.031 197 HA GLU 32 HA GLU 32 3.278 -8.942 14.721 198 1HB GLU 32 HB2 GLU 32 5.401 -7.815 13.785 199 2HB GLU 32 HB1 GLU 32 5.288 -6.748 15.178 200 1HG GLU 32 HG2 GLU 32 5.693 -8.474 16.686 201 2HG GLU 32 HG1 GLU 32 5.300 -9.723 15.506 202 H HIS 33 HN HIS 33 2.698 -5.532 15.291 203 HA HIS 33 HA HIS 33 2.560 -5.741 18.149 204 1HB HIS 33 HB2 HIS 33 1.523 -3.578 16.303 205 2HB HIS 33 HB1 HIS 33 1.645 -3.453 18.053 206 HD1 HIS 33 HD1 HIS 33 3.662 -2.254 18.812 207 HD2 HIS 33 HD2 HIS 33 4.270 -4.106 15.142 208 HE1 HIS 33 HE1 HIS 33 5.992 -1.614 18.113 209 HE2 HIS 33 HE2 HIS 33 6.348 -2.768 15.902 210 H GLY 34 HN GLY 34 0.350 -6.250 15.523 211 1HA GLY 34 HA2 GLY 34 -1.604 -7.631 16.023 212 2HA GLY 34 HA1 GLY 34 -1.818 -6.680 17.482 213 H VAL 35 HN VAL 35 -0.964 -5.105 14.483 214 HA VAL 35 HA VAL 35 -3.735 -4.420 13.902 215 HB VAL 35 HB VAL 35 -3.085 -1.961 13.741 216 1HG1 VAL 35 HG11 VAL 35 -3.558 -1.541 16.105 217 2HG1 VAL 35 HG12 VAL 35 -3.217 -3.231 16.473 218 3HG1 VAL 35 HG13 VAL 35 -4.593 -2.812 15.452 219 1HG2 VAL 35 HG21 VAL 35 -1.154 -1.157 14.608 220 2HG2 VAL 35 HG22 VAL 35 -0.576 -2.774 14.208 221 3HG2 VAL 35 HG23 VAL 35 -1.069 -2.398 15.858 222 HA PRO 36 HA PRO 36 -2.126 -4.671 9.771 223 1HB PRO 36 HB2 PRO 36 -4.150 -3.433 8.442 224 2HB PRO 36 HB1 PRO 36 -4.284 -5.073 9.088 225 1HG PRO 36 HG2 PRO 36 -5.277 -2.494 10.240 226 2HG PRO 36 HG1 PRO 36 -6.087 -4.070 10.157 227 1HD PRO 36 HD2 PRO 36 -4.880 -3.163 12.406 228 2HD PRO 36 HD1 PRO 36 -4.962 -4.888 11.992 229 H ILE 37 HN ILE 37 -1.270 -3.346 8.072 230 HA ILE 37 HA ILE 37 -0.405 -0.745 9.001 231 HB ILE 37 HB ILE 37 0.198 -2.000 6.322 232 1HG1 ILE 37 HG12 ILE 37 0.884 -3.590 8.016 233 2HG1 ILE 37 HG11 ILE 37 2.312 -2.797 7.363 234 1HG2 ILE 37 HG21 ILE 37 0.823 0.242 6.240 235 2HG2 ILE 37 HG22 ILE 37 2.315 -0.595 6.666 236 3HG2 ILE 37 HG23 ILE 37 1.389 0.244 7.911 237 1HD1 ILE 37 HD11 ILE 37 1.083 -2.569 10.061 238 2HD1 ILE 37 HD12 ILE 37 2.003 -1.209 9.415 239 3HD1 ILE 37 HD13 ILE 37 2.771 -2.785 9.601 240 H LEU 38 HN LEU 38 -1.012 1.230 8.215 241 HA LEU 38 HA LEU 38 -2.962 1.287 6.009 242 1HB LEU 38 HB2 LEU 38 -3.187 2.992 8.485 243 2HB LEU 38 HB1 LEU 38 -4.341 2.866 7.173 244 HG LEU 38 HG LEU 38 -4.322 0.297 7.985 245 1HD1 LEU 38 HD11 LEU 38 -4.284 0.217 10.419 246 2HD1 LEU 38 HD12 LEU 38 -3.815 1.916 10.478 247 3HD1 LEU 38 HD13 LEU 38 -2.720 0.722 9.782 248 1HD2 LEU 38 HD21 LEU 38 -6.404 0.744 9.048 249 2HD2 LEU 38 HD22 LEU 38 -6.246 1.890 7.717 250 3HD2 LEU 38 HD23 LEU 38 -5.951 2.416 9.374 251 H ILE 39 HN ILE 39 -3.177 3.381 4.945 252 HA ILE 39 HA ILE 39 -0.603 4.692 4.658 253 HB ILE 39 HB ILE 39 -3.153 5.473 3.247 254 1HG1 ILE 39 HG12 ILE 39 -2.778 3.051 2.929 255 2HG1 ILE 39 HG11 ILE 39 -2.553 3.956 1.436 256 1HG2 ILE 39 HG21 ILE 39 -1.742 7.083 2.570 257 2HG2 ILE 39 HG22 ILE 39 -1.119 5.835 1.493 258 3HG2 ILE 39 HG23 ILE 39 -0.307 6.163 3.024 259 1HD1 ILE 39 HD11 ILE 39 -0.732 2.225 2.807 260 2HD1 ILE 39 HD12 ILE 39 -0.029 3.832 2.629 261 3HD1 ILE 39 HD13 ILE 39 -0.598 2.956 1.208 262 H SER 40 HN SER 40 -0.030 6.573 5.542 263 HA SER 40 HA SER 40 -2.138 8.275 6.705 264 1HB SER 40 HB2 SER 40 -0.648 6.942 8.345 265 2HB SER 40 HB1 SER 40 0.619 8.084 7.896 266 HG SER 40 HG SER 40 -0.361 9.009 9.607 267 H GLU 41 HN GLU 41 1.180 8.222 5.390 268 HA GLU 41 HA GLU 41 0.934 11.101 4.835 269 1HB GLU 41 HB2 GLU 41 2.981 9.784 6.029 270 2HB GLU 41 HB1 GLU 41 3.514 9.752 4.356 271 1HG GLU 41 HG2 GLU 41 4.455 11.704 4.934 272 2HG GLU 41 HG1 GLU 41 2.858 12.328 4.526 273 H ILE 42 HN ILE 42 1.241 11.928 2.787 274 HA ILE 42 HA ILE 42 1.513 10.002 0.577 275 HB ILE 42 HB ILE 42 -0.396 12.344 0.529 276 1HG1 ILE 42 HG12 ILE 42 -1.062 9.409 0.874 277 2HG1 ILE 42 HG11 ILE 42 -1.112 10.604 2.165 278 1HG2 ILE 42 HG21 ILE 42 -1.248 10.673 -1.396 279 2HG2 ILE 42 HG22 ILE 42 0.478 10.313 -1.426 280 3HG2 ILE 42 HG23 ILE 42 -0.081 11.967 -1.675 281 1HD1 ILE 42 HD11 ILE 42 -3.328 10.144 1.286 282 2HD1 ILE 42 HD12 ILE 42 -2.802 10.636 -0.323 283 3HD1 ILE 42 HD13 ILE 42 -2.861 11.818 0.985 284 H HIS 43 HN HIS 43 3.005 10.577 -0.899 285 HA HIS 43 HA HIS 43 4.348 13.130 -0.597 286 1HB HIS 43 HB2 HIS 43 4.921 10.641 -2.187 287 2HB HIS 43 HB1 HIS 43 5.806 12.132 -2.487 288 HD1 HIS 43 HD1 HIS 43 7.608 12.785 -0.823 289 HD2 HIS 43 HD2 HIS 43 5.425 9.450 0.355 290 HE1 HIS 43 HE1 HIS 43 8.849 11.830 1.144 291 HE2 HIS 43 HE2 HIS 43 7.513 9.808 1.839 292 HA PRO 44 HA PRO 44 1.775 14.843 -3.861 293 1HB PRO 44 HB2 PRO 44 2.800 17.357 -3.734 294 2HB PRO 44 HB1 PRO 44 1.603 16.746 -2.587 295 1HG PRO 44 HG2 PRO 44 4.567 17.001 -2.280 296 2HG PRO 44 HG1 PRO 44 3.285 17.352 -1.108 297 1HD PRO 44 HD2 PRO 44 4.754 15.067 -1.057 298 2HD PRO 44 HD1 PRO 44 3.073 15.148 -0.492 299 H GLY 45 HN GLY 45 2.220 14.463 -5.932 300 1HA GLY 45 HA2 GLY 45 3.294 15.061 -7.973 301 2HA GLY 45 HA1 GLY 45 4.741 15.465 -7.063 302 H GLN 46 HN GLN 46 2.875 12.506 -6.687 303 HA GLN 46 HA GLN 46 4.972 10.978 -8.056 304 1HB GLN 46 HB2 GLN 46 4.450 11.025 -5.213 305 2HB GLN 46 HB1 GLN 46 4.144 9.418 -5.858 306 1HG GLN 46 HG2 GLN 46 6.314 9.016 -5.790 307 2HG GLN 46 HG1 GLN 46 6.561 10.272 -7.002 308 1HE2 GLN 46 HE21 GLN 46 6.908 12.458 -6.231 309 2HE2 GLN 46 HE22 GLN 46 7.684 12.705 -4.707 310 HA PRO 47 HA PRO 47 1.932 8.298 -9.840 311 1HB PRO 47 HB2 PRO 47 2.636 6.094 -7.954 312 2HB PRO 47 HB1 PRO 47 2.505 6.068 -9.717 313 1HG PRO 47 HG2 PRO 47 4.887 6.105 -8.541 314 2HG PRO 47 HG1 PRO 47 4.589 7.041 -10.017 315 1HD PRO 47 HD2 PRO 47 4.823 7.973 -7.194 316 2HD PRO 47 HD1 PRO 47 5.322 8.779 -8.695 317 H ALA 48 HN ALA 48 2.031 8.214 -6.299 318 HA ALA 48 HA ALA 48 -0.507 7.133 -5.821 319 1HB ALA 48 HB1 ALA 48 0.789 9.209 -4.073 320 2HB ALA 48 HB2 ALA 48 1.349 7.539 -4.142 321 3HB ALA 48 HB3 ALA 48 -0.291 7.896 -3.601 322 H ASP 49 HN ASP 49 0.507 10.526 -6.189 323 HA ASP 49 HA ASP 49 -2.087 11.628 -5.799 324 1HB ASP 49 HB2 ASP 49 0.535 12.655 -6.806 325 2HB ASP 49 HB1 ASP 49 -0.911 13.603 -7.128 326 H ARG 50 HN ARG 50 -0.232 10.683 -8.656 327 HA ARG 50 HA ARG 50 -1.944 11.695 -10.629 328 1HB ARG 50 HB2 ARG 50 0.070 9.480 -10.549 329 2HB ARG 50 HB1 ARG 50 -0.943 9.683 -11.972 330 1HG ARG 50 HG2 ARG 50 -0.034 11.770 -12.471 331 2HG ARG 50 HG1 ARG 50 0.633 11.969 -10.849 332 1HD ARG 50 HD2 ARG 50 2.522 10.912 -11.395 333 2HD ARG 50 HD1 ARG 50 1.646 9.589 -12.163 334 HE ARG 50 HE ARG 50 2.889 11.805 -13.458 335 1HH1 ARG 50 HH11 ARG 50 0.220 9.553 -13.710 336 2HH1 ARG 50 HH12 ARG 50 0.126 9.663 -15.435 337 1HH2 ARG 50 HH21 ARG 50 2.763 11.948 -15.733 338 2HH2 ARG 50 HH22 ARG 50 1.572 11.023 -16.585 339 H CYS 51 HN CYS 51 -2.105 8.718 -8.739 340 HA CYS 51 HA CYS 51 -4.107 7.467 -10.336 341 1HB CYS 51 HB2 CYS 51 -2.475 6.447 -8.560 342 2HB CYS 51 HB1 CYS 51 -3.752 6.863 -7.421 343 HG CYS 51 HG CYS 51 -4.793 5.197 -9.730 344 H GLY 52 HN GLY 52 -4.191 9.792 -7.721 345 1HA GLY 52 HA2 GLY 52 -5.929 11.007 -6.842 346 2HA GLY 52 HA1 GLY 52 -6.896 10.462 -8.201 347 H GLY 53 HN GLY 53 -5.542 7.935 -6.310 348 1HA GLY 53 HA2 GLY 53 -8.148 7.550 -4.966 349 2HA GLY 53 HA1 GLY 53 -7.183 6.232 -5.608 350 H LEU 54 HN LEU 54 -4.643 7.332 -4.615 351 HA LEU 54 HA LEU 54 -4.648 6.110 -2.059 352 1HB LEU 54 HB2 LEU 54 -2.724 6.955 -3.920 353 2HB LEU 54 HB1 LEU 54 -2.384 7.863 -2.460 354 HG LEU 54 HG LEU 54 -1.064 5.826 -2.526 355 1HD1 LEU 54 HD11 LEU 54 -2.058 6.748 -0.369 356 2HD1 LEU 54 HD12 LEU 54 -1.451 5.093 -0.341 357 3HD1 LEU 54 HD13 LEU 54 -3.186 5.394 -0.449 358 1HD2 LEU 54 HD21 LEU 54 -2.083 4.190 -3.723 359 2HD2 LEU 54 HD22 LEU 54 -3.691 4.592 -3.122 360 3HD2 LEU 54 HD23 LEU 54 -2.576 3.671 -2.112 361 H HIS 55 HN HIS 55 -6.045 7.094 -0.663 362 HA HIS 55 HA HIS 55 -5.557 9.921 -0.002 363 1HB HIS 55 HB2 HIS 55 -7.817 9.917 0.977 364 2HB HIS 55 HB1 HIS 55 -7.854 9.431 -0.714 365 HD1 HIS 55 HD1 HIS 55 -7.723 7.694 2.680 366 HD2 HIS 55 HD2 HIS 55 -9.353 7.206 -1.112 367 HE1 HIS 55 HE1 HIS 55 -9.083 5.590 2.799 368 HE2 HIS 55 HE2 HIS 55 -9.892 5.214 0.445 369 H VAL 56 HN VAL 56 -5.635 10.543 2.259 370 HA VAL 56 HA VAL 56 -4.068 8.843 3.909 371 HB VAL 56 HB VAL 56 -5.656 11.254 4.810 372 1HG1 VAL 56 HG11 VAL 56 -4.900 10.464 6.787 373 2HG1 VAL 56 HG12 VAL 56 -3.413 11.271 6.289 374 3HG1 VAL 56 HG13 VAL 56 -3.597 9.535 6.044 375 1HG2 VAL 56 HG21 VAL 56 -4.333 12.000 2.981 376 2HG2 VAL 56 HG22 VAL 56 -2.929 11.091 3.541 377 3HG2 VAL 56 HG23 VAL 56 -3.496 12.490 4.453 378 H GLY 57 HN GLY 57 -4.643 7.401 5.450 379 1HA GLY 57 HA2 GLY 57 -6.026 6.442 7.098 380 2HA GLY 57 HA1 GLY 57 -7.379 7.378 6.481 381 H ASP 58 HN ASP 58 -5.142 5.169 4.826 382 HA ASP 58 HA ASP 58 -7.467 3.582 3.952 383 1HB ASP 58 HB2 ASP 58 -5.278 4.736 2.492 384 2HB ASP 58 HB1 ASP 58 -5.204 2.984 2.345 385 H ALA 59 HN ALA 59 -7.601 1.543 4.721 386 HA ALA 59 HA ALA 59 -5.302 0.439 6.140 387 1HB ALA 59 HB1 ALA 59 -6.761 -0.808 7.356 388 2HB ALA 59 HB2 ALA 59 -7.846 -1.073 5.990 389 3HB ALA 59 HB3 ALA 59 -7.869 0.466 6.849 390 H ILE 60 HN ILE 60 -3.933 -0.912 5.194 391 HA ILE 60 HA ILE 60 -4.442 -2.008 2.595 392 HB ILE 60 HB ILE 60 -2.158 -2.728 4.431 393 1HG1 ILE 60 HG12 ILE 60 -2.059 -0.596 2.303 394 2HG1 ILE 60 HG11 ILE 60 -2.493 -0.213 3.965 395 1HG2 ILE 60 HG21 ILE 60 -1.014 -3.056 2.185 396 2HG2 ILE 60 HG22 ILE 60 -2.626 -2.973 1.474 397 3HG2 ILE 60 HG23 ILE 60 -2.240 -4.243 2.635 398 1HD1 ILE 60 HD11 ILE 60 0.055 -1.622 3.242 399 2HD1 ILE 60 HD12 ILE 60 -0.371 -0.845 4.766 400 3HD1 ILE 60 HD13 ILE 60 -0.083 0.134 3.327 401 H LEU 61 HN LEU 61 -4.875 -4.068 1.990 402 HA LEU 61 HA LEU 61 -5.243 -6.074 4.112 403 1HB LEU 61 HB2 LEU 61 -7.152 -5.195 1.994 404 2HB LEU 61 HB1 LEU 61 -7.146 -6.885 2.461 405 HG LEU 61 HG LEU 61 -7.656 -4.541 4.301 406 1HD1 LEU 61 HD11 LEU 61 -9.429 -6.527 2.932 407 2HD1 LEU 61 HD12 LEU 61 -9.602 -4.777 3.063 408 3HD1 LEU 61 HD13 LEU 61 -9.907 -5.801 4.466 409 1HD2 LEU 61 HD21 LEU 61 -7.139 -7.416 4.793 410 2HD2 LEU 61 HD22 LEU 61 -8.440 -6.664 5.716 411 3HD2 LEU 61 HD23 LEU 61 -6.805 -6.011 5.805 412 H ALA 62 HN ALA 62 -5.021 -5.638 0.562 413 HA ALA 62 HA ALA 62 -3.123 -7.860 0.466 414 1HB ALA 62 HB1 ALA 62 -5.688 -8.451 -0.052 415 2HB ALA 62 HB2 ALA 62 -4.329 -9.254 -0.838 416 3HB ALA 62 HB3 ALA 62 -5.172 -7.941 -1.660 417 H VAL 63 HN VAL 63 -1.683 -7.797 -1.248 418 HA VAL 63 HA VAL 63 -1.907 -5.531 -3.115 419 HB VAL 63 HB VAL 63 0.689 -6.325 -1.788 420 1HG1 VAL 63 HG11 VAL 63 0.272 -3.684 -3.063 421 2HG1 VAL 63 HG12 VAL 63 0.407 -5.081 -4.131 422 3HG1 VAL 63 HG13 VAL 63 1.711 -4.703 -3.005 423 1HG2 VAL 63 HG21 VAL 63 0.254 -3.881 -0.799 424 2HG2 VAL 63 HG22 VAL 63 -0.264 -5.351 0.026 425 3HG2 VAL 63 HG23 VAL 63 -1.418 -4.427 -0.935 426 H ASN 64 HN ASN 64 -1.949 -6.331 -5.103 427 HA ASN 64 HA ASN 64 -1.612 -7.653 -6.917 428 1HB ASN 64 HB2 ASN 64 0.827 -6.862 -6.192 429 2HB ASN 64 HB1 ASN 64 1.036 -8.586 -5.901 430 1HD2 ASN 64 HD21 ASN 64 1.665 -6.332 -8.084 431 2HD2 ASN 64 HD22 ASN 64 1.522 -7.239 -9.547 432 H GLY 65 HN GLY 65 -3.023 -8.823 -4.763 433 1HA GLY 65 HA2 GLY 65 -3.982 -10.915 -4.464 434 2HA GLY 65 HA1 GLY 65 -2.718 -11.612 -5.462 435 H VAL 66 HN VAL 66 -0.844 -10.001 -3.449 436 HA VAL 66 HA VAL 66 -0.434 -12.294 -1.729 437 HB VAL 66 HB VAL 66 1.124 -9.704 -1.765 438 1HG1 VAL 66 HG11 VAL 66 2.826 -10.865 -0.621 439 2HG1 VAL 66 HG12 VAL 66 2.064 -12.429 -0.910 440 3HG1 VAL 66 HG13 VAL 66 1.329 -11.283 0.212 441 1HG2 VAL 66 HG21 VAL 66 0.895 -11.432 -3.888 442 2HG2 VAL 66 HG22 VAL 66 2.340 -12.020 -3.065 443 3HG2 VAL 66 HG23 VAL 66 2.249 -10.341 -3.594 444 H ASN 67 HN ASN 67 -1.089 -12.471 0.316 445 HA ASN 67 HA ASN 67 -2.727 -10.439 1.489 446 1HB ASN 67 HB2 ASN 67 -2.424 -13.203 1.814 447 2HB ASN 67 HB1 ASN 67 -1.917 -12.514 3.353 448 1HD2 ASN 67 HD21 ASN 67 -3.415 -11.081 4.443 449 2HD2 ASN 67 HD22 ASN 67 -5.113 -11.304 4.221 450 H LEU 68 HN LEU 68 -2.211 -8.902 2.928 451 HA LEU 68 HA LEU 68 0.561 -8.826 3.898 452 1HB LEU 68 HB2 LEU 68 -0.773 -6.905 2.587 453 2HB LEU 68 HB1 LEU 68 -1.209 -6.471 4.229 454 HG LEU 68 HG LEU 68 1.674 -6.948 3.675 455 1HD1 LEU 68 HD11 LEU 68 0.199 -4.489 2.747 456 2HD1 LEU 68 HD12 LEU 68 1.065 -5.648 1.738 457 3HD1 LEU 68 HD13 LEU 68 1.952 -4.634 2.875 458 1HD2 LEU 68 HD21 LEU 68 1.564 -4.712 5.119 459 2HD2 LEU 68 HD22 LEU 68 1.454 -6.315 5.845 460 3HD2 LEU 68 HD23 LEU 68 -0.011 -5.380 5.544 461 H ARG 69 HN ARG 69 -2.720 -9.138 4.998 462 HA ARG 69 HA ARG 69 -2.437 -8.225 7.638 463 1HB ARG 69 HB2 ARG 69 -4.330 -10.028 6.224 464 2HB ARG 69 HB1 ARG 69 -4.285 -10.133 7.978 465 1HG ARG 69 HG2 ARG 69 -4.528 -7.552 7.888 466 2HG ARG 69 HG1 ARG 69 -5.099 -7.844 6.244 467 1HD ARG 69 HD2 ARG 69 -6.908 -9.162 7.005 468 2HD ARG 69 HD1 ARG 69 -6.236 -9.283 8.630 469 HE ARG 69 HE ARG 69 -6.637 -6.605 8.239 470 1HH1 ARG 69 HH11 ARG 69 -8.678 -9.448 8.119 471 2HH1 ARG 69 HH12 ARG 69 -10.107 -8.594 8.592 472 1HH2 ARG 69 HH21 ARG 69 -8.523 -5.484 8.864 473 2HH2 ARG 69 HH22 ARG 69 -10.019 -6.343 9.015 474 H ASP 70 HN ASP 70 -1.505 -11.263 6.136 475 HA ASP 70 HA ASP 70 -0.845 -12.420 8.737 476 1HB ASP 70 HB2 ASP 70 -0.967 -13.532 5.944 477 2HB ASP 70 HB1 ASP 70 -0.205 -14.426 7.257 478 H THR 71 HN THR 71 0.684 -10.229 6.985 479 HA THR 71 HA THR 71 3.336 -11.443 7.403 480 HB THR 71 HB THR 71 4.207 -10.095 5.579 481 HG1 THR 71 HG1 THR 71 3.167 -8.433 4.880 482 1HG2 THR 71 HG21 THR 71 3.627 -11.922 4.427 483 2HG2 THR 71 HG22 THR 71 2.392 -10.865 3.744 484 3HG2 THR 71 HG23 THR 71 1.988 -11.945 5.078 485 H LYS 72 HN LYS 72 5.058 -9.899 7.962 486 HA LYS 72 HA LYS 72 4.095 -7.971 9.909 487 1HB LYS 72 HB2 LYS 72 6.719 -9.255 9.297 488 2HB LYS 72 HB1 LYS 72 6.728 -7.720 10.152 489 1HG LYS 72 HG2 LYS 72 6.796 -9.397 11.801 490 2HG LYS 72 HG1 LYS 72 5.149 -8.763 11.814 491 1HD LYS 72 HD2 LYS 72 4.847 -11.074 11.910 492 2HD LYS 72 HD1 LYS 72 4.616 -10.700 10.201 493 1HE LYS 72 HE2 LYS 72 7.384 -11.311 11.001 494 2HE LYS 72 HE1 LYS 72 6.248 -12.652 11.135 495 1HZ LYS 72 HZ1 LYS 72 7.101 -11.178 8.732 496 2HZ LYS 72 HZ2 LYS 72 5.595 -11.947 8.748 497 3HZ LYS 72 HZ3 LYS 72 7.005 -12.848 8.984 498 H HIS 73 HN HIS 73 5.054 -5.773 10.025 499 HA HIS 73 HA HIS 73 4.617 -4.286 7.720 500 1HB HIS 73 HB2 HIS 73 4.632 -3.309 9.985 501 2HB HIS 73 HB1 HIS 73 6.374 -3.536 10.070 502 HD1 HIS 73 HD1 HIS 73 7.833 -1.764 9.008 503 HD2 HIS 73 HD2 HIS 73 3.799 -1.266 8.147 504 HE1 HIS 73 HE1 HIS 73 7.651 0.498 7.927 505 HE2 HIS 73 HE2 HIS 73 5.185 0.829 7.535 506 H LYS 74 HN LYS 74 7.720 -5.372 9.090 507 HA LYS 74 HA LYS 74 9.385 -4.195 7.156 508 1HB LYS 74 HB2 LYS 74 9.941 -6.776 8.628 509 2HB LYS 74 HB1 LYS 74 11.120 -5.661 7.953 510 1HG LYS 74 HG2 LYS 74 9.907 -3.986 9.632 511 2HG LYS 74 HG1 LYS 74 9.576 -5.501 10.474 512 1HD LYS 74 HD2 LYS 74 12.069 -5.992 10.216 513 2HD LYS 74 HD1 LYS 74 12.240 -4.294 9.771 514 1HE LYS 74 HE2 LYS 74 11.114 -5.360 12.362 515 2HE LYS 74 HE1 LYS 74 12.700 -4.622 12.141 516 1HZ LYS 74 HZ1 LYS 74 11.562 -2.814 12.844 517 2HZ LYS 74 HZ2 LYS 74 10.069 -3.368 12.276 518 3HZ LYS 74 HZ3 LYS 74 11.180 -2.681 11.201 519 H GLU 75 HN GLU 75 7.851 -7.392 7.283 520 HA GLU 75 HA GLU 75 9.020 -8.432 4.936 521 1HB GLU 75 HB2 GLU 75 7.704 -9.649 6.805 522 2HB GLU 75 HB1 GLU 75 6.272 -9.192 5.894 523 1HG GLU 75 HG2 GLU 75 6.707 -11.311 5.111 524 2HG GLU 75 HG1 GLU 75 7.477 -10.294 3.894 525 H ALA 76 HN ALA 76 6.063 -6.576 5.512 526 HA ALA 76 HA ALA 76 4.962 -6.810 2.931 527 1HB ALA 76 HB1 ALA 76 4.580 -4.890 5.189 528 2HB ALA 76 HB2 ALA 76 3.447 -6.048 4.492 529 3HB ALA 76 HB3 ALA 76 3.838 -4.566 3.621 530 H VAL 77 HN VAL 77 7.365 -4.596 4.259 531 HA VAL 77 HA VAL 77 7.354 -2.703 2.171 532 HB VAL 77 HB VAL 77 9.746 -3.510 3.841 533 1HG1 VAL 77 HG11 VAL 77 10.802 -1.621 3.135 534 2HG1 VAL 77 HG12 VAL 77 9.298 -0.732 2.899 535 3HG1 VAL 77 HG13 VAL 77 9.816 -1.922 1.704 536 1HG2 VAL 77 HG21 VAL 77 8.375 -1.108 4.694 537 2HG2 VAL 77 HG22 VAL 77 8.855 -2.524 5.630 538 3HG2 VAL 77 HG23 VAL 77 7.317 -2.517 4.768 539 H THR 78 HN THR 78 9.186 -5.706 2.635 540 HA THR 78 HA THR 78 10.743 -5.467 0.279 541 HB THR 78 HB THR 78 10.010 -8.114 1.505 542 HG1 THR 78 HG1 THR 78 11.235 -7.730 3.219 543 1HG2 THR 78 HG21 THR 78 11.877 -7.344 -0.418 544 2HG2 THR 78 HG22 THR 78 11.755 -8.900 0.403 545 3HG2 THR 78 HG23 THR 78 12.803 -7.639 1.053 546 H ILE 79 HN ILE 79 7.711 -7.200 0.994 547 HA ILE 79 HA ILE 79 7.401 -8.409 -1.525 548 HB ILE 79 HB ILE 79 5.169 -7.516 0.314 549 1HG1 ILE 79 HG12 ILE 79 6.201 -10.322 0.251 550 2HG1 ILE 79 HG11 ILE 79 7.108 -9.121 1.164 551 1HG2 ILE 79 HG21 ILE 79 4.986 -8.498 -2.236 552 2HG2 ILE 79 HG22 ILE 79 3.724 -8.596 -1.009 553 3HG2 ILE 79 HG23 ILE 79 4.821 -9.955 -1.256 554 1HD1 ILE 79 HD11 ILE 79 5.710 -9.339 2.859 555 2HD1 ILE 79 HD12 ILE 79 4.826 -10.570 1.957 556 3HD1 ILE 79 HD13 ILE 79 4.354 -8.876 1.831 557 H LEU 80 HN LEU 80 6.251 -5.267 -0.299 558 HA LEU 80 HA LEU 80 4.765 -4.510 -2.553 559 1HB LEU 80 HB2 LEU 80 5.812 -3.219 -0.171 560 2HB LEU 80 HB1 LEU 80 5.873 -2.151 -1.560 561 HG LEU 80 HG LEU 80 3.357 -3.034 -1.830 562 1HD1 LEU 80 HD11 LEU 80 2.310 -3.676 0.077 563 2HD1 LEU 80 HD12 LEU 80 3.406 -2.771 1.120 564 3HD1 LEU 80 HD13 LEU 80 3.914 -4.314 0.435 565 1HD2 LEU 80 HD21 LEU 80 2.669 -0.980 -0.599 566 2HD2 LEU 80 HD22 LEU 80 3.954 -0.715 -1.777 567 3HD2 LEU 80 HD23 LEU 80 4.338 -0.801 -0.058 568 H SER 81 HN SER 81 8.204 -4.225 -1.832 569 HA SER 81 HA SER 81 8.871 -2.609 -4.066 570 1HB SER 81 HB2 SER 81 10.576 -4.454 -2.380 571 2HB SER 81 HB1 SER 81 11.211 -3.332 -3.584 572 HG SER 81 HG SER 81 9.958 -2.787 -1.122 573 H GLN 82 HN GLN 82 8.420 -6.059 -3.660 574 HA GLN 82 HA GLN 82 9.828 -6.938 -5.949 575 1HB GLN 82 HB2 GLN 82 7.484 -8.169 -4.484 576 2HB GLN 82 HB1 GLN 82 8.364 -8.974 -5.775 577 1HG GLN 82 HG2 GLN 82 9.628 -8.016 -3.220 578 2HG GLN 82 HG1 GLN 82 9.029 -9.653 -3.478 579 1HE2 GLN 82 HE21 GLN 82 11.735 -8.728 -2.899 580 2HE2 GLN 82 HE22 GLN 82 12.720 -9.291 -4.200 581 H GLN 83 HN GLN 83 6.621 -5.594 -5.506 582 HA GLN 83 HA GLN 83 5.510 -6.376 -7.991 583 1HB GLN 83 HB2 GLN 83 4.769 -3.848 -6.529 584 2HB GLN 83 HB1 GLN 83 3.753 -4.859 -7.544 585 1HG GLN 83 HG2 GLN 83 4.750 -5.447 -4.771 586 2HG GLN 83 HG1 GLN 83 3.088 -5.194 -5.295 587 1HE2 GLN 83 HE21 GLN 83 4.051 -7.431 -3.836 588 2HE2 GLN 83 HE22 GLN 83 3.828 -8.832 -4.820 589 H ARG 84 HN ARG 84 6.253 -5.834 -9.931 590 HA ARG 84 HA ARG 84 7.441 -3.160 -10.298 591 1HB ARG 84 HB2 ARG 84 8.023 -5.764 -11.709 592 2HB ARG 84 HB1 ARG 84 8.603 -4.207 -12.281 593 1HG ARG 84 HG2 ARG 84 10.245 -4.128 -10.770 594 2HG ARG 84 HG1 ARG 84 9.213 -4.729 -9.471 595 1HD ARG 84 HD2 ARG 84 9.654 -6.940 -9.962 596 2HD ARG 84 HD1 ARG 84 10.096 -6.590 -11.632 597 HE ARG 84 HE ARG 84 11.918 -5.430 -9.760 598 1HH1 ARG 84 HH11 ARG 84 11.094 -8.415 -11.391 599 2HH1 ARG 84 HH12 ARG 84 12.702 -9.050 -11.308 600 1HH2 ARG 84 HH21 ARG 84 14.037 -6.269 -9.653 601 2HH2 ARG 84 HH22 ARG 84 14.374 -7.831 -10.321 602 H GLY 85 HN GLY 85 7.008 -2.031 -12.237 603 1HA GLY 85 HA2 GLY 85 5.673 -1.236 -13.922 604 2HA GLY 85 HA1 GLY 85 5.309 -2.915 -14.292 605 H GLU 86 HN GLU 86 3.343 -3.733 -13.774 606 HA GLU 86 HA GLU 86 1.362 -1.851 -12.781 607 1HB GLU 86 HB2 GLU 86 0.917 -3.266 -14.791 608 2HB GLU 86 HB1 GLU 86 0.973 -4.688 -13.758 609 1HG GLU 86 HG2 GLU 86 -0.928 -3.816 -12.474 610 2HG GLU 86 HG1 GLU 86 -0.998 -2.421 -13.549 611 H ILE 87 HN ILE 87 0.753 -1.777 -10.725 612 HA ILE 87 HA ILE 87 1.103 -4.193 -9.069 613 HB ILE 87 HB ILE 87 1.397 -1.371 -8.040 614 1HG1 ILE 87 HG12 ILE 87 3.581 -3.325 -8.807 615 2HG1 ILE 87 HG11 ILE 87 3.178 -1.852 -9.680 616 1HG2 ILE 87 HG21 ILE 87 2.511 -2.567 -6.145 617 2HG2 ILE 87 HG22 ILE 87 1.986 -4.086 -6.872 618 3HG2 ILE 87 HG23 ILE 87 0.790 -2.913 -6.321 619 1HD1 ILE 87 HD11 ILE 87 4.161 -1.954 -6.839 620 2HD1 ILE 87 HD12 ILE 87 3.862 -0.507 -7.801 621 3HD1 ILE 87 HD13 ILE 87 5.159 -1.614 -8.252 622 H GLU 88 HN GLU 88 -0.704 -4.898 -8.130 623 HA GLU 88 HA GLU 88 -3.089 -3.212 -8.191 624 1HB GLU 88 HB2 GLU 88 -2.571 -6.144 -7.973 625 2HB GLU 88 HB1 GLU 88 -4.058 -5.514 -7.278 626 1HG GLU 88 HG2 GLU 88 -5.007 -5.228 -9.272 627 2HG GLU 88 HG1 GLU 88 -3.545 -4.537 -9.974 628 H PHE 89 HN PHE 89 -3.773 -2.157 -6.437 629 HA PHE 89 HA PHE 89 -2.816 -3.075 -3.805 630 1HB PHE 89 HB2 PHE 89 -2.368 -0.620 -5.029 631 2HB PHE 89 HB1 PHE 89 -3.669 -0.293 -3.888 632 HD1 PHE 89 HD1 PHE 89 -0.188 -1.395 -4.245 633 HD2 PHE 89 HD2 PHE 89 -3.302 -0.388 -1.523 634 HE1 PHE 89 HE1 PHE 89 1.449 -1.299 -2.412 635 HE2 PHE 89 HE2 PHE 89 -1.670 -0.288 0.313 636 HZ PHE 89 HZ PHE 89 0.710 -0.745 -0.129 637 H GLU 90 HN GLU 90 -4.274 -3.555 -2.299 638 HA GLU 90 HA GLU 90 -7.066 -2.725 -2.746 639 1HB GLU 90 HB2 GLU 90 -5.974 -5.352 -1.736 640 2HB GLU 90 HB1 GLU 90 -7.653 -4.878 -1.519 641 1HG GLU 90 HG2 GLU 90 -7.958 -5.967 -3.449 642 2HG GLU 90 HG1 GLU 90 -7.368 -4.471 -4.172 643 H VAL 91 HN VAL 91 -7.675 -1.305 -1.267 644 HA VAL 91 HA VAL 91 -6.905 -1.731 1.535 645 HB VAL 91 HB VAL 91 -6.697 0.797 1.761 646 1HG1 VAL 91 HG11 VAL 91 -4.346 0.600 0.414 647 2HG1 VAL 91 HG12 VAL 91 -4.763 -1.099 0.633 648 3HG1 VAL 91 HG13 VAL 91 -4.631 -0.036 2.034 649 1HG2 VAL 91 HG21 VAL 91 -7.682 1.048 -0.646 650 2HG2 VAL 91 HG22 VAL 91 -6.003 0.838 -1.142 651 3HG2 VAL 91 HG23 VAL 91 -6.446 2.166 -0.072 652 H VAL 92 HN VAL 92 -8.214 -0.204 3.005 653 HA VAL 92 HA VAL 92 -10.948 0.148 1.958 654 HB VAL 92 HB VAL 92 -10.272 -0.905 4.714 655 1HG1 VAL 92 HG11 VAL 92 -12.913 -1.505 4.073 656 2HG1 VAL 92 HG12 VAL 92 -12.688 0.162 3.545 657 3HG1 VAL 92 HG13 VAL 92 -12.348 -0.288 5.216 658 1HG2 VAL 92 HG21 VAL 92 -10.502 -2.275 2.181 659 2HG2 VAL 92 HG22 VAL 92 -11.712 -2.844 3.331 660 3HG2 VAL 92 HG23 VAL 92 -10.001 -2.892 3.755 661 H TYR 93 HN TYR 93 -11.907 2.055 2.458 662 HA TYR 93 HA TYR 93 -10.388 4.167 3.572 663 1HB TYR 93 HB2 TYR 93 -12.580 4.068 1.984 664 2HB TYR 93 HB1 TYR 93 -13.339 4.465 3.519 665 HD1 TYR 93 HD1 TYR 93 -12.798 6.044 0.756 666 HD2 TYR 93 HD2 TYR 93 -11.222 6.229 4.708 667 HE1 TYR 93 HE1 TYR 93 -12.235 8.411 0.416 668 HE2 TYR 93 HE2 TYR 93 -10.658 8.596 4.376 669 HH TYR 93 HH TYR 93 -11.274 10.474 2.982 670 H VAL 94 HN VAL 94 -10.045 4.700 5.633 671 HA VAL 94 HA VAL 94 -11.921 3.698 7.682 672 HB VAL 94 HB VAL 94 -8.980 4.251 8.103 673 1HG1 VAL 94 HG11 VAL 94 -9.227 3.275 10.217 674 2HG1 VAL 94 HG12 VAL 94 -10.791 2.570 9.810 675 3HG1 VAL 94 HG13 VAL 94 -10.643 4.312 10.045 676 1HG2 VAL 94 HG21 VAL 94 -8.725 2.410 6.805 677 2HG2 VAL 94 HG22 VAL 94 -10.369 1.840 7.093 678 3HG2 VAL 94 HG23 VAL 94 -9.121 1.586 8.313 679 H ALA 95 HN ALA 95 -12.790 5.150 9.054 680 HA ALA 95 HA ALA 95 -11.537 7.741 9.465 681 1HB ALA 95 HB1 ALA 95 -12.907 8.084 7.461 682 2HB ALA 95 HB2 ALA 95 -13.512 9.015 8.831 683 3HB ALA 95 HB3 ALA 95 -14.330 7.530 8.342 Start of MODEL 2 1 HT1 PRO 9 HT2 PRO 9 -17.744 -1.914 1.494 2 HT2 PRO 9 HT1 PRO 9 -16.203 -2.448 1.702 3 HA PRO 9 HA PRO 9 -16.991 -0.357 0.394 4 1HB PRO 9 HB2 PRO 9 -15.492 1.077 2.418 5 2HB PRO 9 HB1 PRO 9 -17.069 1.462 1.718 6 1HG PRO 9 HG2 PRO 9 -16.738 0.619 4.291 7 2HG PRO 9 HG1 PRO 9 -18.213 0.342 3.350 8 1HD PRO 9 HD2 PRO 9 -15.933 -1.537 3.897 9 2HD PRO 9 HD1 PRO 9 -17.679 -1.851 3.938 10 H ILE 10 HN ILE 10 -15.449 -2.230 -0.380 11 HA ILE 10 HA ILE 10 -12.642 -1.725 0.154 12 HB ILE 10 HB ILE 10 -13.920 -3.673 -1.777 13 1HG1 ILE 10 HG12 ILE 10 -12.798 -5.182 0.183 14 2HG1 ILE 10 HG11 ILE 10 -13.300 -3.773 1.112 15 1HG2 ILE 10 HG21 ILE 10 -11.508 -4.717 -1.317 16 2HG2 ILE 10 HG22 ILE 10 -11.107 -3.011 -1.120 17 3HG2 ILE 10 HG23 ILE 10 -11.818 -3.580 -2.630 18 1HD1 ILE 10 HD11 ILE 10 -15.520 -4.183 0.785 19 2HD1 ILE 10 HD12 ILE 10 -14.891 -5.829 0.778 20 3HD1 ILE 10 HD13 ILE 10 -15.257 -5.018 -0.745 21 H ARG 11 HN ARG 11 -11.180 -0.843 -1.246 22 HA ARG 11 HA ARG 11 -12.269 0.319 -3.727 23 1HB ARG 11 HB2 ARG 11 -10.998 1.609 -1.484 24 2HB ARG 11 HB1 ARG 11 -10.033 1.847 -2.935 25 1HG ARG 11 HG2 ARG 11 -11.388 3.535 -3.417 26 2HG ARG 11 HG1 ARG 11 -12.620 2.326 -3.785 27 1HD ARG 11 HD2 ARG 11 -13.235 2.389 -1.335 28 2HD ARG 11 HD1 ARG 11 -12.182 3.797 -1.195 29 HE ARG 11 HE ARG 11 -14.160 4.029 -3.269 30 1HH1 ARG 11 HH11 ARG 11 -13.528 4.510 0.142 31 2HH1 ARG 11 HH12 ARG 11 -14.754 5.719 0.323 32 1HH2 ARG 11 HH21 ARG 11 -15.774 5.618 -3.023 33 2HH2 ARG 11 HH22 ARG 11 -16.029 6.348 -1.473 34 H LYS 12 HN LYS 12 -11.347 -0.399 -5.517 35 HA LYS 12 HA LYS 12 -8.748 -1.747 -5.344 36 1HB LYS 12 HB2 LYS 12 -10.785 -1.782 -7.584 37 2HB LYS 12 HB1 LYS 12 -9.317 -2.747 -7.508 38 1HG LYS 12 HG2 LYS 12 -11.591 -2.941 -5.543 39 2HG LYS 12 HG1 LYS 12 -11.369 -4.002 -6.936 40 1HD LYS 12 HD2 LYS 12 -9.020 -3.733 -5.185 41 2HD LYS 12 HD1 LYS 12 -10.419 -4.513 -4.443 42 1HE LYS 12 HE2 LYS 12 -9.688 -5.399 -7.172 43 2HE LYS 12 HE1 LYS 12 -8.578 -5.837 -5.874 44 1HZ LYS 12 HZ1 LYS 12 -10.285 -6.989 -4.741 45 2HZ LYS 12 HZ2 LYS 12 -10.373 -7.489 -6.356 46 3HZ LYS 12 HZ3 LYS 12 -11.492 -6.372 -5.752 47 H VAL 13 HN VAL 13 -7.033 -0.532 -5.819 48 HA VAL 13 HA VAL 13 -7.243 1.361 -8.068 49 HB VAL 13 HB VAL 13 -5.553 2.796 -6.850 50 1HG1 VAL 13 HG11 VAL 13 -8.415 2.479 -6.209 51 2HG1 VAL 13 HG12 VAL 13 -7.536 3.874 -6.832 52 3HG1 VAL 13 HG13 VAL 13 -7.480 3.495 -5.111 53 1HG2 VAL 13 HG21 VAL 13 -4.901 2.396 -4.728 54 2HG2 VAL 13 HG22 VAL 13 -5.320 0.730 -5.128 55 3HG2 VAL 13 HG23 VAL 13 -6.469 1.741 -4.255 56 H LEU 14 HN LEU 14 -5.545 1.447 -9.477 57 HA LEU 14 HA LEU 14 -3.424 -0.556 -9.076 58 1HB LEU 14 HB2 LEU 14 -4.459 0.675 -11.634 59 2HB LEU 14 HB1 LEU 14 -3.168 -0.506 -11.530 60 HG LEU 14 HG LEU 14 -5.089 -1.893 -10.277 61 1HD1 LEU 14 HD11 LEU 14 -7.219 -1.378 -10.813 62 2HD1 LEU 14 HD12 LEU 14 -6.784 -0.727 -12.392 63 3HD1 LEU 14 HD13 LEU 14 -6.560 0.253 -10.943 64 1HD2 LEU 14 HD21 LEU 14 -3.916 -2.838 -12.081 65 2HD2 LEU 14 HD22 LEU 14 -4.521 -1.632 -13.216 66 3HD2 LEU 14 HD23 LEU 14 -5.610 -2.860 -12.571 67 H LEU 15 HN LEU 15 -1.389 0.101 -8.816 68 HA LEU 15 HA LEU 15 -0.727 2.904 -9.449 69 1HB LEU 15 HB2 LEU 15 0.198 1.059 -7.266 70 2HB LEU 15 HB1 LEU 15 1.159 2.449 -7.734 71 HG LEU 15 HG LEU 15 -0.747 3.930 -7.184 72 1HD1 LEU 15 HD11 LEU 15 -2.077 1.325 -6.774 73 2HD1 LEU 15 HD12 LEU 15 -2.739 2.870 -7.306 74 3HD1 LEU 15 HD13 LEU 15 -2.434 2.585 -5.593 75 1HD2 LEU 15 HD21 LEU 15 -0.236 4.018 -4.958 76 2HD2 LEU 15 HD22 LEU 15 1.082 2.995 -5.527 77 3HD2 LEU 15 HD23 LEU 15 -0.326 2.269 -4.752 78 H LEU 16 HN LEU 16 1.022 3.361 -10.693 79 HA LEU 16 HA LEU 16 2.437 1.068 -11.868 80 1HB LEU 16 HB2 LEU 16 1.139 3.135 -13.102 81 2HB LEU 16 HB1 LEU 16 2.793 3.717 -13.099 82 HG LEU 16 HG LEU 16 3.338 1.355 -14.087 83 1HD1 LEU 16 HD11 LEU 16 0.938 0.616 -13.708 84 2HD1 LEU 16 HD12 LEU 16 1.627 0.295 -15.299 85 3HD1 LEU 16 HD13 LEU 16 0.517 1.647 -15.075 86 1HD2 LEU 16 HD21 LEU 16 3.887 2.996 -15.545 87 2HD2 LEU 16 HD22 LEU 16 2.343 3.829 -15.364 88 3HD2 LEU 16 HD23 LEU 16 2.460 2.402 -16.392 89 H LYS 17 HN LYS 17 4.388 0.678 -11.043 90 HA LYS 17 HA LYS 17 5.918 2.890 -9.874 91 1HB LYS 17 HB2 LYS 17 5.426 0.684 -8.630 92 2HB LYS 17 HB1 LYS 17 6.648 -0.024 -9.678 93 1HG LYS 17 HG2 LYS 17 8.271 1.649 -8.847 94 2HG LYS 17 HG1 LYS 17 7.039 2.241 -7.732 95 1HD LYS 17 HD2 LYS 17 8.262 0.773 -6.414 96 2HD LYS 17 HD1 LYS 17 6.903 -0.220 -6.945 97 1HE LYS 17 HE2 LYS 17 8.940 -1.491 -7.153 98 2HE LYS 17 HE1 LYS 17 8.320 -1.123 -8.761 99 1HZ LYS 17 HZ1 LYS 17 10.359 0.598 -7.490 100 2HZ LYS 17 HZ2 LYS 17 9.986 0.432 -9.132 101 3HZ LYS 17 HZ3 LYS 17 10.804 -0.807 -8.322 102 H GLU 18 HN GLU 18 7.804 3.584 -10.692 103 HA GLU 18 HA GLU 18 8.861 2.192 -13.067 104 1HB GLU 18 HB2 GLU 18 9.142 5.136 -12.447 105 2HB GLU 18 HB1 GLU 18 9.570 4.314 -13.940 106 1HG GLU 18 HG2 GLU 18 6.751 4.214 -13.012 107 2HG GLU 18 HG1 GLU 18 7.359 5.702 -13.730 108 H ASP 19 HN ASP 19 11.138 2.139 -13.355 109 HA ASP 19 HA ASP 19 12.639 1.637 -11.032 110 1HB ASP 19 HB2 ASP 19 13.242 1.892 -13.936 111 2HB ASP 19 HB1 ASP 19 14.600 2.023 -12.825 112 H HIS 20 HN HIS 20 12.235 4.536 -12.973 113 HA HIS 20 HA HIS 20 14.326 5.981 -11.613 114 1HB HIS 20 HB2 HIS 20 13.638 7.882 -12.977 115 2HB HIS 20 HB1 HIS 20 13.824 6.444 -13.971 116 HD1 HIS 20 HD1 HIS 20 11.406 9.031 -13.008 117 HD2 HIS 20 HD2 HIS 20 11.311 5.304 -14.841 118 HE1 HIS 20 HE1 HIS 20 9.155 8.883 -14.118 119 HE2 HIS 20 HE2 HIS 20 9.070 6.561 -15.093 120 H GLU 21 HN GLU 21 10.876 5.559 -11.235 121 HA GLU 21 HA GLU 21 10.734 7.780 -9.336 122 1HB GLU 21 HB2 GLU 21 8.686 6.108 -10.749 123 2HB GLU 21 HB1 GLU 21 8.244 6.984 -9.290 124 1HG GLU 21 HG2 GLU 21 9.599 8.402 -11.543 125 2HG GLU 21 HG1 GLU 21 7.869 8.075 -11.606 126 H GLY 22 HN GLY 22 9.469 7.379 -7.295 127 1HA GLY 22 HA2 GLY 22 10.441 4.882 -6.068 128 2HA GLY 22 HA1 GLY 22 10.109 6.376 -5.205 129 H LEU 23 HN LEU 23 8.763 5.337 -3.713 130 HA LEU 23 HA LEU 23 6.470 3.834 -4.584 131 1HB LEU 23 HB2 LEU 23 7.860 3.711 -2.342 132 2HB LEU 23 HB1 LEU 23 6.713 4.926 -1.814 133 HG LEU 23 HG LEU 23 4.887 3.278 -2.540 134 1HD1 LEU 23 HD11 LEU 23 5.832 1.614 -3.775 135 2HD1 LEU 23 HD12 LEU 23 5.899 0.864 -2.181 136 3HD1 LEU 23 HD13 LEU 23 7.337 1.629 -2.856 137 1HD2 LEU 23 HD21 LEU 23 5.938 3.798 -0.164 138 2HD2 LEU 23 HD22 LEU 23 6.433 2.111 -0.291 139 3HD2 LEU 23 HD23 LEU 23 4.725 2.539 -0.393 140 H GLY 24 HN GLY 24 6.813 6.900 -2.771 141 1HA GLY 24 HA2 GLY 24 5.641 8.887 -3.146 142 2HA GLY 24 HA1 GLY 24 4.599 8.042 -4.274 143 H ILE 25 HN ILE 25 4.785 6.223 -1.463 144 HA ILE 25 HA ILE 25 2.608 7.660 -0.129 145 HB ILE 25 HB ILE 25 1.380 5.481 0.172 146 1HG1 ILE 25 HG12 ILE 25 3.099 4.588 -2.153 147 2HG1 ILE 25 HG11 ILE 25 3.300 4.029 -0.496 148 1HG2 ILE 25 HG21 ILE 25 0.189 6.742 -1.270 149 2HG2 ILE 25 HG22 ILE 25 0.713 5.525 -2.432 150 3HG2 ILE 25 HG23 ILE 25 1.576 7.057 -2.311 151 1HD1 ILE 25 HD11 ILE 25 1.895 2.391 -0.973 152 2HD1 ILE 25 HD12 ILE 25 1.499 3.112 -2.533 153 3HD1 ILE 25 HD13 ILE 25 0.614 3.598 -1.088 154 H SER 26 HN SER 26 2.485 7.334 2.076 155 HA SER 26 HA SER 26 4.666 5.735 3.248 156 1HB SER 26 HB2 SER 26 4.457 8.359 3.533 157 2HB SER 26 HB1 SER 26 3.307 7.907 4.791 158 HG SER 26 HG SER 26 5.399 8.082 5.645 159 H ILE 27 HN ILE 27 4.216 4.230 4.777 160 HA ILE 27 HA ILE 27 1.410 3.968 5.642 161 HB ILE 27 HB ILE 27 1.745 1.494 5.628 162 1HG1 ILE 27 HG12 ILE 27 4.152 2.054 3.890 163 2HG1 ILE 27 HG11 ILE 27 4.288 1.684 5.606 164 1HG2 ILE 27 HG21 ILE 27 2.068 2.831 2.945 165 2HG2 ILE 27 HG22 ILE 27 0.552 2.669 3.831 166 3HG2 ILE 27 HG23 ILE 27 1.387 1.232 3.244 167 1HD1 ILE 27 HD11 ILE 27 3.143 -0.466 5.182 168 2HD1 ILE 27 HD12 ILE 27 4.679 -0.304 4.332 169 3HD1 ILE 27 HD13 ILE 27 3.162 -0.093 3.458 170 H THR 28 HN THR 28 1.052 2.958 7.685 171 HA THR 28 HA THR 28 3.393 2.700 9.431 172 HB THR 28 HB THR 28 2.486 4.110 11.130 173 HG1 THR 28 HG1 THR 28 0.344 3.804 11.126 174 1HG2 THR 28 HG21 THR 28 1.803 5.732 8.720 175 2HG2 THR 28 HG22 THR 28 3.469 5.247 9.029 176 3HG2 THR 28 HG23 THR 28 2.602 6.223 10.215 177 H GLY 29 HN GLY 29 3.155 1.269 11.153 178 1HA GLY 29 HA2 GLY 29 1.544 0.064 12.620 179 2HA GLY 29 HA1 GLY 29 0.640 -0.292 11.155 180 H GLY 30 HN GLY 30 0.792 -2.540 11.676 181 1HA GLY 30 HA2 GLY 30 2.366 -4.147 10.295 182 2HA GLY 30 HA1 GLY 30 3.460 -3.742 11.607 183 H LYS 31 HN LYS 31 1.558 -6.111 10.578 184 HA LYS 31 HA LYS 31 -0.136 -6.841 12.654 185 1HB LYS 31 HB2 LYS 31 0.037 -7.951 10.410 186 2HB LYS 31 HB1 LYS 31 1.502 -8.745 10.964 187 1HG LYS 31 HG2 LYS 31 -0.329 -10.273 11.142 188 2HG LYS 31 HG1 LYS 31 0.186 -9.821 12.768 189 1HD LYS 31 HD2 LYS 31 -1.658 -8.126 12.786 190 2HD LYS 31 HD1 LYS 31 -2.214 -8.802 11.254 191 1HE LYS 31 HE2 LYS 31 -2.295 -11.044 12.451 192 2HE LYS 31 HE1 LYS 31 -2.102 -10.133 13.948 193 1HZ LYS 31 HZ1 LYS 31 -4.121 -8.906 13.410 194 2HZ LYS 31 HZ2 LYS 31 -4.426 -10.568 13.487 195 3HZ LYS 31 HZ3 LYS 31 -4.307 -9.800 11.985 196 H GLU 32 HN GLU 32 3.357 -7.254 12.357 197 HA GLU 32 HA GLU 32 3.730 -9.023 14.513 198 1HB GLU 32 HB2 GLU 32 5.361 -7.834 12.630 199 2HB GLU 32 HB1 GLU 32 5.901 -7.100 14.134 200 1HG GLU 32 HG2 GLU 32 5.555 -10.055 13.962 201 2HG GLU 32 HG1 GLU 32 6.996 -9.292 13.296 202 H HIS 33 HN HIS 33 3.279 -5.560 14.382 203 HA HIS 33 HA HIS 33 4.098 -5.104 17.105 204 1HB HIS 33 HB2 HIS 33 2.873 -3.429 14.943 205 2HB HIS 33 HB1 HIS 33 2.878 -2.843 16.600 206 HD1 HIS 33 HD1 HIS 33 5.768 -3.903 17.322 207 HD2 HIS 33 HD2 HIS 33 4.745 -1.701 13.950 208 HE1 HIS 33 HE1 HIS 33 7.887 -2.757 16.599 209 HE2 HIS 33 HE2 HIS 33 7.219 -1.356 14.615 210 H GLY 34 HN GLY 34 1.062 -5.643 15.391 211 1HA GLY 34 HA2 GLY 34 -0.555 -6.827 16.982 212 2HA GLY 34 HA1 GLY 34 -0.392 -5.367 17.942 213 H VAL 35 HN VAL 35 -0.260 -3.815 15.289 214 HA VAL 35 HA VAL 35 -3.143 -3.915 14.683 215 HB VAL 35 HB VAL 35 -3.057 -1.461 14.297 216 1HG1 VAL 35 HG11 VAL 35 -3.609 -1.006 16.447 217 2HG1 VAL 35 HG12 VAL 35 -2.164 -1.776 17.101 218 3HG1 VAL 35 HG13 VAL 35 -3.528 -2.763 16.574 219 1HG2 VAL 35 HG21 VAL 35 -0.247 -1.875 14.652 220 2HG2 VAL 35 HG22 VAL 35 -0.828 -0.745 15.876 221 3HG2 VAL 35 HG23 VAL 35 -1.102 -0.411 14.167 222 HA PRO 36 HA PRO 36 -2.048 -4.470 10.434 223 1HB PRO 36 HB2 PRO 36 -4.385 -2.774 9.777 224 2HB PRO 36 HB1 PRO 36 -4.042 -4.445 9.318 225 1HG PRO 36 HG2 PRO 36 -5.904 -3.870 11.147 226 2HG PRO 36 HG1 PRO 36 -4.867 -5.300 11.303 227 1HD PRO 36 HD2 PRO 36 -4.690 -2.664 12.712 228 2HD PRO 36 HD1 PRO 36 -4.438 -4.303 13.349 229 H ILE 37 HN ILE 37 -1.253 -3.349 8.597 230 HA ILE 37 HA ILE 37 -0.197 -0.730 9.229 231 HB ILE 37 HB ILE 37 0.192 -2.289 6.671 232 1HG1 ILE 37 HG12 ILE 37 2.454 -2.380 8.450 233 2HG1 ILE 37 HG11 ILE 37 1.032 -3.005 9.276 234 1HG2 ILE 37 HG21 ILE 37 2.463 -0.884 7.071 235 2HG2 ILE 37 HG22 ILE 37 1.278 0.207 7.786 236 3HG2 ILE 37 HG23 ILE 37 1.102 -0.309 6.110 237 1HD1 ILE 37 HD11 ILE 37 2.665 -4.233 7.262 238 2HD1 ILE 37 HD12 ILE 37 0.979 -4.173 6.748 239 3HD1 ILE 37 HD13 ILE 37 1.408 -4.939 8.277 240 H LEU 38 HN LEU 38 -0.915 1.173 8.479 241 HA LEU 38 HA LEU 38 -2.830 1.191 6.244 242 1HB LEU 38 HB2 LEU 38 -3.162 3.027 8.595 243 2HB LEU 38 HB1 LEU 38 -4.336 2.592 7.367 244 HG LEU 38 HG LEU 38 -3.790 0.174 8.604 245 1HD1 LEU 38 HD11 LEU 38 -3.965 0.540 10.970 246 2HD1 LEU 38 HD12 LEU 38 -4.050 2.286 10.735 247 3HD1 LEU 38 HD13 LEU 38 -2.562 1.417 10.359 248 1HD2 LEU 38 HD21 LEU 38 -6.024 0.172 9.072 249 2HD2 LEU 38 HD22 LEU 38 -5.969 1.477 7.887 250 3HD2 LEU 38 HD23 LEU 38 -6.029 1.851 9.609 251 H ILE 39 HN ILE 39 -2.994 3.243 5.116 252 HA ILE 39 HA ILE 39 -0.426 4.549 4.888 253 HB ILE 39 HB ILE 39 -2.972 5.256 3.421 254 1HG1 ILE 39 HG12 ILE 39 -0.789 3.421 2.424 255 2HG1 ILE 39 HG11 ILE 39 -2.246 2.820 3.206 256 1HG2 ILE 39 HG21 ILE 39 -1.603 6.359 1.852 257 2HG2 ILE 39 HG22 ILE 39 -0.132 5.642 2.509 258 3HG2 ILE 39 HG23 ILE 39 -1.007 6.862 3.433 259 1HD1 ILE 39 HD11 ILE 39 -3.257 2.840 1.244 260 2HD1 ILE 39 HD12 ILE 39 -1.838 3.565 0.489 261 3HD1 ILE 39 HD13 ILE 39 -3.084 4.595 1.192 262 H SER 40 HN SER 40 0.163 6.310 5.969 263 HA SER 40 HA SER 40 -1.926 7.977 7.199 264 1HB SER 40 HB2 SER 40 0.941 7.440 7.947 265 2HB SER 40 HB1 SER 40 0.050 8.809 8.613 266 HG SER 40 HG SER 40 -0.772 7.448 9.968 267 H GLU 41 HN GLU 41 0.835 8.064 5.024 268 HA GLU 41 HA GLU 41 0.167 10.858 4.406 269 1HB GLU 41 HB2 GLU 41 2.686 9.833 5.470 270 2HB GLU 41 HB1 GLU 41 2.898 10.724 3.969 271 1HG GLU 41 HG2 GLU 41 1.137 12.218 5.604 272 2HG GLU 41 HG1 GLU 41 2.501 11.718 6.601 273 H ILE 42 HN ILE 42 0.572 11.517 2.264 274 HA ILE 42 HA ILE 42 1.369 9.408 0.378 275 HB ILE 42 HB ILE 42 -0.965 11.256 -0.139 276 1HG1 ILE 42 HG12 ILE 42 -2.051 8.752 -0.001 277 2HG1 ILE 42 HG11 ILE 42 -0.839 8.667 1.274 278 1HG2 ILE 42 HG21 ILE 42 -1.414 9.723 -2.002 279 2HG2 ILE 42 HG22 ILE 42 0.036 8.808 -1.588 280 3HG2 ILE 42 HG23 ILE 42 0.174 10.479 -2.136 281 1HD1 ILE 42 HD11 ILE 42 -2.109 11.112 1.651 282 2HD1 ILE 42 HD12 ILE 42 -2.310 9.643 2.605 283 3HD1 ILE 42 HD13 ILE 42 -3.396 9.974 1.257 284 H HIS 43 HN HIS 43 3.109 10.137 -0.661 285 HA HIS 43 HA HIS 43 3.792 12.901 -0.792 286 1HB HIS 43 HB2 HIS 43 4.987 10.400 -1.966 287 2HB HIS 43 HB1 HIS 43 5.621 11.991 -2.375 288 HD1 HIS 43 HD1 HIS 43 7.454 12.762 -0.905 289 HD2 HIS 43 HD2 HIS 43 4.990 10.023 1.017 290 HE1 HIS 43 HE1 HIS 43 8.496 12.388 1.352 291 HE2 HIS 43 HE2 HIS 43 6.919 10.824 2.541 292 HA PRO 44 HA PRO 44 1.565 13.857 -4.531 293 1HB PRO 44 HB2 PRO 44 2.461 16.367 -4.878 294 2HB PRO 44 HB1 PRO 44 1.337 15.947 -3.579 295 1HG PRO 44 HG2 PRO 44 4.305 16.340 -3.465 296 2HG PRO 44 HG1 PRO 44 3.057 16.909 -2.341 297 1HD PRO 44 HD2 PRO 44 4.586 14.692 -1.893 298 2HD PRO 44 HD1 PRO 44 2.944 14.893 -1.252 299 H GLY 45 HN GLY 45 2.050 14.780 -6.738 300 1HA GLY 45 HA2 GLY 45 3.215 14.718 -8.716 301 2HA GLY 45 HA1 GLY 45 4.673 14.924 -7.761 302 H GLN 46 HN GLN 46 2.727 12.198 -6.983 303 HA GLN 46 HA GLN 46 4.496 10.438 -8.541 304 1HB GLN 46 HB2 GLN 46 3.944 10.515 -5.649 305 2HB GLN 46 HB1 GLN 46 3.805 8.917 -6.369 306 1HG GLN 46 HG2 GLN 46 6.007 8.921 -5.781 307 2HG GLN 46 HG1 GLN 46 6.117 9.531 -7.432 308 1HE2 GLN 46 HE21 GLN 46 6.544 10.233 -4.090 309 2HE2 GLN 46 HE22 GLN 46 7.223 11.808 -4.284 310 HA PRO 47 HA PRO 47 1.078 8.134 -10.113 311 1HB PRO 47 HB2 PRO 47 1.372 5.622 -8.906 312 2HB PRO 47 HB1 PRO 47 2.098 6.134 -10.431 313 1HG PRO 47 HG2 PRO 47 3.287 6.027 -7.703 314 2HG PRO 47 HG1 PRO 47 4.044 5.716 -9.274 315 1HD PRO 47 HD2 PRO 47 4.490 7.992 -7.938 316 2HD PRO 47 HD1 PRO 47 4.359 7.973 -9.710 317 H ALA 48 HN ALA 48 1.591 7.921 -6.630 318 HA ALA 48 HA ALA 48 -0.926 6.895 -5.902 319 1HB ALA 48 HB1 ALA 48 0.869 6.883 -4.316 320 2HB ALA 48 HB2 ALA 48 -0.431 7.885 -3.670 321 3HB ALA 48 HB3 ALA 48 0.998 8.640 -4.374 322 H ASP 49 HN ASP 49 0.230 10.252 -6.192 323 HA ASP 49 HA ASP 49 -2.196 11.469 -5.395 324 1HB ASP 49 HB2 ASP 49 0.272 12.429 -5.783 325 2HB ASP 49 HB1 ASP 49 -0.429 12.880 -7.334 326 H ARG 50 HN ARG 50 -0.902 10.514 -8.537 327 HA ARG 50 HA ARG 50 -2.999 11.652 -10.085 328 1HB ARG 50 HB2 ARG 50 -1.282 9.316 -10.910 329 2HB ARG 50 HB1 ARG 50 -2.050 10.513 -11.943 330 1HG ARG 50 HG2 ARG 50 -0.323 11.872 -10.136 331 2HG ARG 50 HG1 ARG 50 0.564 10.530 -10.861 332 1HD ARG 50 HD2 ARG 50 -1.081 12.107 -12.725 333 2HD ARG 50 HD1 ARG 50 0.271 12.973 -11.995 334 HE ARG 50 HE ARG 50 0.979 10.398 -13.069 335 1HH1 ARG 50 HH11 ARG 50 0.573 13.798 -13.803 336 2HH1 ARG 50 HH12 ARG 50 1.658 13.762 -15.152 337 1HH2 ARG 50 HH21 ARG 50 2.403 10.357 -14.852 338 2HH2 ARG 50 HH22 ARG 50 2.696 11.810 -15.748 339 H CYS 51 HN CYS 51 -2.624 8.615 -8.394 340 HA CYS 51 HA CYS 51 -4.674 7.195 -9.761 341 1HB CYS 51 HB2 CYS 51 -3.181 6.808 -7.194 342 2HB CYS 51 HB1 CYS 51 -4.613 5.835 -7.511 343 HG CYS 51 HG CYS 51 -3.052 5.370 -9.869 344 H GLY 52 HN GLY 52 -4.689 9.478 -7.100 345 1HA GLY 52 HA2 GLY 52 -6.516 10.626 -6.235 346 2HA GLY 52 HA1 GLY 52 -7.571 9.630 -7.226 347 H GLY 53 HN GLY 53 -7.254 7.128 -6.428 348 1HA GLY 53 HA2 GLY 53 -8.703 6.878 -4.088 349 2HA GLY 53 HA1 GLY 53 -7.741 5.591 -4.796 350 H LEU 54 HN LEU 54 -5.225 7.190 -4.420 351 HA LEU 54 HA LEU 54 -4.544 6.184 -1.852 352 1HB LEU 54 HB2 LEU 54 -3.159 7.788 -3.950 353 2HB LEU 54 HB1 LEU 54 -2.487 7.813 -2.332 354 HG LEU 54 HG LEU 54 -1.368 6.144 -3.691 355 1HD1 LEU 54 HD11 LEU 54 -3.100 4.625 -1.775 356 2HD1 LEU 54 HD12 LEU 54 -1.893 5.784 -1.219 357 3HD1 LEU 54 HD13 LEU 54 -1.397 4.381 -2.166 358 1HD2 LEU 54 HD21 LEU 54 -3.693 5.763 -4.964 359 2HD2 LEU 54 HD22 LEU 54 -3.734 4.385 -3.865 360 3HD2 LEU 54 HD23 LEU 54 -2.380 4.587 -4.976 361 H HIS 55 HN HIS 55 -5.960 7.117 -0.364 362 HA HIS 55 HA HIS 55 -5.532 9.986 0.158 363 1HB HIS 55 HB2 HIS 55 -7.794 9.955 1.231 364 2HB HIS 55 HB1 HIS 55 -7.823 9.644 -0.500 365 HD1 HIS 55 HD1 HIS 55 -7.602 7.459 2.625 366 HD2 HIS 55 HD2 HIS 55 -9.530 7.621 -1.054 367 HE1 HIS 55 HE1 HIS 55 -9.070 5.424 2.545 368 HE2 HIS 55 HE2 HIS 55 -10.145 5.487 0.270 369 H VAL 56 HN VAL 56 -5.600 10.658 2.400 370 HA VAL 56 HA VAL 56 -4.005 9.053 4.083 371 HB VAL 56 HB VAL 56 -5.731 11.394 4.918 372 1HG1 VAL 56 HG11 VAL 56 -4.035 11.656 6.700 373 2HG1 VAL 56 HG12 VAL 56 -3.289 10.148 6.174 374 3HG1 VAL 56 HG13 VAL 56 -4.931 10.141 6.817 375 1HG2 VAL 56 HG21 VAL 56 -2.829 11.707 4.361 376 2HG2 VAL 56 HG22 VAL 56 -4.146 12.870 4.207 377 3HG2 VAL 56 HG23 VAL 56 -3.928 11.618 2.985 378 H GLY 57 HN GLY 57 -4.508 7.521 5.545 379 1HA GLY 57 HA2 GLY 57 -5.812 6.474 7.204 380 2HA GLY 57 HA1 GLY 57 -7.207 7.390 6.658 381 H ASP 58 HN ASP 58 -4.961 5.285 4.877 382 HA ASP 58 HA ASP 58 -7.281 3.735 3.952 383 1HB ASP 58 HB2 ASP 58 -4.967 4.812 2.603 384 2HB ASP 58 HB1 ASP 58 -5.026 3.064 2.397 385 H ALA 59 HN ALA 59 -7.506 1.691 4.623 386 HA ALA 59 HA ALA 59 -5.369 0.493 6.204 387 1HB ALA 59 HB1 ALA 59 -7.901 -0.977 5.827 388 2HB ALA 59 HB2 ALA 59 -8.017 0.583 6.641 389 3HB ALA 59 HB3 ALA 59 -6.968 -0.676 7.293 390 H ILE 60 HN ILE 60 -3.981 -0.918 5.384 391 HA ILE 60 HA ILE 60 -4.312 -1.975 2.729 392 HB ILE 60 HB ILE 60 -2.172 -2.694 4.733 393 1HG1 ILE 60 HG12 ILE 60 -1.866 -0.637 2.558 394 2HG1 ILE 60 HG11 ILE 60 -2.463 -0.186 4.152 395 1HG2 ILE 60 HG21 ILE 60 -2.485 -4.165 2.729 396 2HG2 ILE 60 HG22 ILE 60 -0.890 -3.426 2.868 397 3HG2 ILE 60 HG23 ILE 60 -2.067 -2.776 1.726 398 1HD1 ILE 60 HD11 ILE 60 -0.380 -1.211 5.104 399 2HD1 ILE 60 HD12 ILE 60 -0.140 0.239 4.129 400 3HD1 ILE 60 HD13 ILE 60 0.213 -1.350 3.449 401 H LEU 61 HN LEU 61 -5.034 -3.921 2.136 402 HA LEU 61 HA LEU 61 -5.394 -5.977 4.217 403 1HB LEU 61 HB2 LEU 61 -7.275 -5.148 2.018 404 2HB LEU 61 HB1 LEU 61 -7.397 -6.712 2.801 405 HG LEU 61 HG LEU 61 -7.632 -4.046 4.205 406 1HD1 LEU 61 HD11 LEU 61 -9.486 -5.041 2.556 407 2HD1 LEU 61 HD12 LEU 61 -9.884 -4.160 4.031 408 3HD1 LEU 61 HD13 LEU 61 -9.908 -5.923 4.024 409 1HD2 LEU 61 HD21 LEU 61 -8.687 -5.792 5.917 410 2HD2 LEU 61 HD22 LEU 61 -6.974 -5.375 5.926 411 3HD2 LEU 61 HD23 LEU 61 -7.517 -6.857 5.138 412 H ALA 62 HN ALA 62 -5.223 -5.472 0.680 413 HA ALA 62 HA ALA 62 -3.410 -7.755 0.488 414 1HB ALA 62 HB1 ALA 62 -4.748 -8.553 -1.539 415 2HB ALA 62 HB2 ALA 62 -6.071 -7.582 -0.893 416 3HB ALA 62 HB3 ALA 62 -5.400 -8.906 0.060 417 H VAL 63 HN VAL 63 -2.072 -7.745 -1.334 418 HA VAL 63 HA VAL 63 -2.268 -5.428 -3.129 419 HB VAL 63 HB VAL 63 0.342 -6.272 -1.858 420 1HG1 VAL 63 HG11 VAL 63 -0.011 -4.984 -4.196 421 2HG1 VAL 63 HG12 VAL 63 1.372 -4.719 -3.134 422 3HG1 VAL 63 HG13 VAL 63 0.001 -3.612 -3.088 423 1HG2 VAL 63 HG21 VAL 63 0.230 -4.350 -0.442 424 2HG2 VAL 63 HG22 VAL 63 -1.257 -5.271 -0.217 425 3HG2 VAL 63 HG23 VAL 63 -1.266 -3.808 -1.203 426 H ASN 64 HN ASN 64 -2.364 -6.212 -5.126 427 HA ASN 64 HA ASN 64 -2.045 -7.498 -6.971 428 1HB ASN 64 HB2 ASN 64 0.434 -6.838 -6.099 429 2HB ASN 64 HB1 ASN 64 0.551 -8.594 -6.059 430 1HD2 ASN 64 HD21 ASN 64 1.628 -6.337 -7.834 431 2HD2 ASN 64 HD22 ASN 64 1.325 -6.910 -9.435 432 H GLY 65 HN GLY 65 -3.394 -8.688 -4.697 433 1HA GLY 65 HA2 GLY 65 -4.433 -10.782 -4.534 434 2HA GLY 65 HA1 GLY 65 -3.147 -11.474 -5.507 435 H VAL 66 HN VAL 66 -1.271 -9.941 -3.488 436 HA VAL 66 HA VAL 66 -1.003 -12.221 -1.707 437 HB VAL 66 HB VAL 66 0.748 -9.761 -1.835 438 1HG1 VAL 66 HG11 VAL 66 1.000 -12.459 -0.557 439 2HG1 VAL 66 HG12 VAL 66 1.265 -10.864 0.146 440 3HG1 VAL 66 HG13 VAL 66 2.433 -11.531 -0.995 441 1HG2 VAL 66 HG21 VAL 66 1.101 -10.504 -3.955 442 2HG2 VAL 66 HG22 VAL 66 0.611 -12.156 -3.577 443 3HG2 VAL 66 HG23 VAL 66 2.214 -11.583 -3.114 444 H ASN 67 HN ASN 67 -1.474 -12.236 0.427 445 HA ASN 67 HA ASN 67 -2.993 -10.039 1.496 446 1HB ASN 67 HB2 ASN 67 -3.170 -12.692 1.894 447 2HB ASN 67 HB1 ASN 67 -2.168 -12.270 3.279 448 1HD2 ASN 67 HD21 ASN 67 -4.987 -10.874 1.608 449 2HD2 ASN 67 HD22 ASN 67 -5.912 -10.613 3.044 450 H LEU 68 HN LEU 68 -2.319 -8.462 2.805 451 HA LEU 68 HA LEU 68 0.461 -8.568 3.760 452 1HB LEU 68 HB2 LEU 68 -0.719 -6.662 2.252 453 2HB LEU 68 HB1 LEU 68 -1.010 -6.010 3.853 454 HG LEU 68 HG LEU 68 1.753 -6.890 3.450 455 1HD1 LEU 68 HD11 LEU 68 1.542 -6.169 1.223 456 2HD1 LEU 68 HD12 LEU 68 2.276 -4.820 2.089 457 3HD1 LEU 68 HD13 LEU 68 0.561 -4.777 1.681 458 1HD2 LEU 68 HD21 LEU 68 1.455 -5.644 5.357 459 2HD2 LEU 68 HD22 LEU 68 0.288 -4.559 4.600 460 3HD2 LEU 68 HD23 LEU 68 2.004 -4.406 4.228 461 H ARG 69 HN ARG 69 -2.821 -8.466 4.840 462 HA ARG 69 HA ARG 69 -2.504 -7.284 7.367 463 1HB ARG 69 HB2 ARG 69 -4.700 -7.715 6.359 464 2HB ARG 69 HB1 ARG 69 -4.436 -9.447 6.501 465 1HG ARG 69 HG2 ARG 69 -4.087 -8.642 9.076 466 2HG ARG 69 HG1 ARG 69 -5.305 -7.499 8.506 467 1HD ARG 69 HD2 ARG 69 -6.851 -9.160 8.068 468 2HD ARG 69 HD1 ARG 69 -5.621 -10.411 7.914 469 HE ARG 69 HE ARG 69 -5.751 -10.773 10.169 470 1HH1 ARG 69 HH11 ARG 69 -7.291 -7.708 9.453 471 2HH1 ARG 69 HH12 ARG 69 -7.968 -7.537 11.038 472 1HH2 ARG 69 HH21 ARG 69 -6.647 -10.544 12.255 473 2HH2 ARG 69 HH22 ARG 69 -7.602 -9.149 12.631 474 H ASP 70 HN ASP 70 -1.900 -10.560 6.227 475 HA ASP 70 HA ASP 70 -1.401 -11.579 8.892 476 1HB ASP 70 HB2 ASP 70 -1.246 -12.783 6.134 477 2HB ASP 70 HB1 ASP 70 -0.657 -13.645 7.551 478 H THR 71 HN THR 71 0.466 -10.234 6.276 479 HA THR 71 HA THR 71 2.990 -11.264 7.191 480 HB THR 71 HB THR 71 3.997 -9.934 5.462 481 HG1 THR 71 HG1 THR 71 1.690 -8.419 5.708 482 1HG2 THR 71 HG21 THR 71 1.581 -11.448 4.790 483 2HG2 THR 71 HG22 THR 71 3.224 -11.577 4.164 484 3HG2 THR 71 HG23 THR 71 2.144 -10.327 3.550 485 H LYS 72 HN LYS 72 4.809 -9.707 7.677 486 HA LYS 72 HA LYS 72 3.921 -7.883 9.779 487 1HB LYS 72 HB2 LYS 72 6.629 -9.033 9.084 488 2HB LYS 72 HB1 LYS 72 6.380 -7.851 10.360 489 1HG LYS 72 HG2 LYS 72 6.313 -9.753 11.596 490 2HG LYS 72 HG1 LYS 72 4.603 -9.633 11.176 491 1HD LYS 72 HD2 LYS 72 5.011 -11.825 10.635 492 2HD LYS 72 HD1 LYS 72 5.357 -11.052 9.089 493 1HE LYS 72 HE2 LYS 72 7.234 -12.323 9.270 494 2HE LYS 72 HE1 LYS 72 7.789 -10.896 10.143 495 1HZ LYS 72 HZ1 LYS 72 7.405 -11.944 12.203 496 2HZ LYS 72 HZ2 LYS 72 8.201 -13.095 11.253 497 3HZ LYS 72 HZ3 LYS 72 6.532 -13.213 11.501 498 H HIS 73 HN HIS 73 5.022 -5.769 10.008 499 HA HIS 73 HA HIS 73 4.743 -4.159 7.760 500 1HB HIS 73 HB2 HIS 73 4.861 -3.446 10.211 501 2HB HIS 73 HB1 HIS 73 6.611 -3.508 10.042 502 HD1 HIS 73 HD1 HIS 73 7.199 -1.083 10.141 503 HD2 HIS 73 HD2 HIS 73 4.135 -1.851 7.443 504 HE1 HIS 73 HE1 HIS 73 6.794 1.092 8.946 505 HE2 HIS 73 HE2 HIS 73 4.871 0.626 7.386 506 H LYS 74 HN LYS 74 7.728 -5.514 9.160 507 HA LYS 74 HA LYS 74 9.485 -4.376 7.264 508 1HB LYS 74 HB2 LYS 74 9.972 -5.521 9.561 509 2HB LYS 74 HB1 LYS 74 10.072 -6.993 8.604 510 1HG LYS 74 HG2 LYS 74 11.937 -6.241 7.420 511 2HG LYS 74 HG1 LYS 74 11.663 -4.559 7.880 512 1HD LYS 74 HD2 LYS 74 13.546 -5.471 9.114 513 2HD LYS 74 HD1 LYS 74 12.209 -5.125 10.212 514 1HE LYS 74 HE2 LYS 74 13.323 -7.294 10.669 515 2HE LYS 74 HE1 LYS 74 11.606 -7.451 10.301 516 1HZ LYS 74 HZ1 LYS 74 13.740 -7.839 8.275 517 2HZ LYS 74 HZ2 LYS 74 12.100 -8.231 8.136 518 3HZ LYS 74 HZ3 LYS 74 13.092 -9.105 9.191 519 H GLU 75 HN GLU 75 7.769 -7.468 7.359 520 HA GLU 75 HA GLU 75 8.994 -8.601 5.075 521 1HB GLU 75 HB2 GLU 75 6.254 -9.153 6.233 522 2HB GLU 75 HB1 GLU 75 7.099 -10.171 5.075 523 1HG GLU 75 HG2 GLU 75 8.346 -9.523 7.714 524 2HG GLU 75 HG1 GLU 75 7.132 -10.793 7.579 525 H ALA 76 HN ALA 76 6.151 -6.555 5.511 526 HA ALA 76 HA ALA 76 5.124 -6.771 2.896 527 1HB ALA 76 HB1 ALA 76 3.713 -5.892 4.590 528 2HB ALA 76 HB2 ALA 76 3.993 -4.593 3.430 529 3HB ALA 76 HB3 ALA 76 4.858 -4.603 4.967 530 H VAL 77 HN VAL 77 7.698 -4.811 4.254 531 HA VAL 77 HA VAL 77 7.906 -2.882 2.214 532 HB VAL 77 HB VAL 77 10.207 -4.007 3.822 533 1HG1 VAL 77 HG11 VAL 77 10.852 -1.469 3.553 534 2HG1 VAL 77 HG12 VAL 77 9.808 -1.585 2.137 535 3HG1 VAL 77 HG13 VAL 77 11.213 -2.640 2.284 536 1HG2 VAL 77 HG21 VAL 77 7.952 -2.262 4.602 537 2HG2 VAL 77 HG22 VAL 77 9.555 -1.771 5.151 538 3HG2 VAL 77 HG23 VAL 77 8.927 -3.363 5.574 539 H THR 78 HN THR 78 9.386 -6.080 2.589 540 HA THR 78 HA THR 78 10.977 -5.973 0.254 541 HB THR 78 HB THR 78 9.850 -8.432 1.610 542 HG1 THR 78 HG1 THR 78 10.964 -7.595 3.211 543 1HG2 THR 78 HG21 THR 78 12.117 -9.357 0.877 544 2HG2 THR 78 HG22 THR 78 12.149 -8.006 -0.257 545 3HG2 THR 78 HG23 THR 78 10.852 -9.197 -0.341 546 H ILE 79 HN ILE 79 7.729 -7.271 0.890 547 HA ILE 79 HA ILE 79 7.279 -8.324 -1.690 548 HB ILE 79 HB ILE 79 5.167 -7.279 0.204 549 1HG1 ILE 79 HG12 ILE 79 5.823 -10.177 0.078 550 2HG1 ILE 79 HG11 ILE 79 6.967 -9.143 0.927 551 1HG2 ILE 79 HG21 ILE 79 5.080 -9.221 -2.097 552 2HG2 ILE 79 HG22 ILE 79 4.235 -7.680 -1.948 553 3HG2 ILE 79 HG23 ILE 79 3.777 -9.039 -0.923 554 1HD1 ILE 79 HD11 ILE 79 4.439 -8.393 1.853 555 2HD1 ILE 79 HD12 ILE 79 5.680 -9.301 2.714 556 3HD1 ILE 79 HD13 ILE 79 4.438 -10.155 1.799 557 H LEU 80 HN LEU 80 6.512 -5.159 -0.261 558 HA LEU 80 HA LEU 80 5.072 -4.071 -2.385 559 1HB LEU 80 HB2 LEU 80 6.814 -2.846 -0.269 560 2HB LEU 80 HB1 LEU 80 6.073 -1.849 -1.505 561 HG LEU 80 HG LEU 80 4.345 -3.687 0.096 562 1HD1 LEU 80 HD11 LEU 80 4.867 -0.922 1.082 563 2HD1 LEU 80 HD12 LEU 80 5.960 -2.226 1.544 564 3HD1 LEU 80 HD13 LEU 80 4.247 -2.330 1.945 565 1HD2 LEU 80 HD21 LEU 80 3.864 -0.918 -0.993 566 2HD2 LEU 80 HD22 LEU 80 2.664 -2.049 -0.365 567 3HD2 LEU 80 HD23 LEU 80 3.504 -2.403 -1.874 568 H SER 81 HN SER 81 8.579 -4.141 -1.819 569 HA SER 81 HA SER 81 9.254 -2.595 -4.106 570 1HB SER 81 HB2 SER 81 10.810 -2.869 -2.222 571 2HB SER 81 HB1 SER 81 10.946 -4.592 -2.580 572 HG SER 81 HG SER 81 12.502 -2.815 -3.503 573 H GLN 82 HN GLN 82 8.639 -6.007 -3.587 574 HA GLN 82 HA GLN 82 9.788 -6.999 -5.969 575 1HB GLN 82 HB2 GLN 82 7.527 -8.091 -4.284 576 2HB GLN 82 HB1 GLN 82 8.298 -8.968 -5.598 577 1HG GLN 82 HG2 GLN 82 10.199 -7.930 -3.654 578 2HG GLN 82 HG1 GLN 82 9.024 -9.041 -2.953 579 1HE2 GLN 82 HE21 GLN 82 10.916 -10.389 -2.592 580 2HE2 GLN 82 HE22 GLN 82 11.481 -11.406 -3.869 581 H GLN 83 HN GLN 83 6.808 -5.317 -5.362 582 HA GLN 83 HA GLN 83 5.309 -6.210 -7.571 583 1HB GLN 83 HB2 GLN 83 5.171 -3.446 -6.362 584 2HB GLN 83 HB1 GLN 83 3.899 -4.307 -7.216 585 1HG GLN 83 HG2 GLN 83 5.021 -4.942 -4.499 586 2HG GLN 83 HG1 GLN 83 3.411 -4.337 -4.879 587 1HE2 GLN 83 HE21 GLN 83 5.390 -7.082 -4.513 588 2HE2 GLN 83 HE22 GLN 83 4.217 -8.274 -4.947 589 H ARG 84 HN ARG 84 6.375 -6.278 -9.488 590 HA ARG 84 HA ARG 84 7.709 -3.860 -10.464 591 1HB ARG 84 HB2 ARG 84 8.421 -6.525 -10.588 592 2HB ARG 84 HB1 ARG 84 7.786 -6.215 -12.197 593 1HG ARG 84 HG2 ARG 84 9.614 -4.151 -11.222 594 2HG ARG 84 HG1 ARG 84 10.343 -5.750 -11.394 595 1HD ARG 84 HD2 ARG 84 9.584 -5.869 -13.701 596 2HD ARG 84 HD1 ARG 84 8.785 -4.306 -13.539 597 HE ARG 84 HE ARG 84 11.375 -3.785 -12.899 598 1HH1 ARG 84 HH11 ARG 84 9.815 -5.261 -15.666 599 2HH1 ARG 84 HH12 ARG 84 11.037 -4.751 -16.780 600 1HH2 ARG 84 HH21 ARG 84 12.978 -3.113 -14.375 601 2HH2 ARG 84 HH22 ARG 84 12.832 -3.534 -16.048 602 H GLY 85 HN GLY 85 7.184 -2.889 -12.428 603 1HA GLY 85 HA2 GLY 85 5.835 -2.194 -14.149 604 2HA GLY 85 HA1 GLY 85 5.233 -3.843 -14.231 605 H GLU 86 HN GLU 86 3.202 -4.244 -13.592 606 HA GLU 86 HA GLU 86 1.606 -2.002 -12.661 607 1HB GLU 86 HB2 GLU 86 0.886 -3.589 -14.516 608 2HB GLU 86 HB1 GLU 86 0.639 -4.798 -13.263 609 1HG GLU 86 HG2 GLU 86 -1.147 -3.656 -12.328 610 2HG GLU 86 HG1 GLU 86 -0.680 -2.123 -13.062 611 H ILE 87 HN ILE 87 0.497 -1.920 -10.729 612 HA ILE 87 HA ILE 87 0.934 -4.108 -8.820 613 HB ILE 87 HB ILE 87 1.252 -1.228 -7.993 614 1HG1 ILE 87 HG12 ILE 87 3.450 -3.182 -8.721 615 2HG1 ILE 87 HG11 ILE 87 3.002 -1.754 -9.647 616 1HG2 ILE 87 HG21 ILE 87 2.701 -2.885 -6.312 617 2HG2 ILE 87 HG22 ILE 87 1.230 -3.797 -6.653 618 3HG2 ILE 87 HG23 ILE 87 1.124 -2.170 -5.981 619 1HD1 ILE 87 HD11 ILE 87 5.038 -1.562 -8.169 620 2HD1 ILE 87 HD12 ILE 87 3.928 -1.594 -6.799 621 3HD1 ILE 87 HD13 ILE 87 3.819 -0.301 -7.994 622 H GLU 88 HN GLU 88 -0.933 -4.716 -7.948 623 HA GLU 88 HA GLU 88 -3.231 -2.905 -8.072 624 1HB GLU 88 HB2 GLU 88 -2.909 -5.872 -7.796 625 2HB GLU 88 HB1 GLU 88 -4.400 -5.110 -7.261 626 1HG GLU 88 HG2 GLU 88 -4.942 -4.391 -9.421 627 2HG GLU 88 HG1 GLU 88 -3.305 -4.666 -10.016 628 H PHE 89 HN PHE 89 -3.924 -1.858 -6.313 629 HA PHE 89 HA PHE 89 -3.004 -2.816 -3.682 630 1HB PHE 89 HB2 PHE 89 -3.063 -0.171 -4.914 631 2HB PHE 89 HB1 PHE 89 -3.832 -0.192 -3.331 632 HD1 PHE 89 HD1 PHE 89 -2.547 -0.140 -1.391 633 HD2 PHE 89 HD2 PHE 89 -0.703 -1.135 -5.097 634 HE1 PHE 89 HE1 PHE 89 -0.338 -0.049 -0.313 635 HE2 PHE 89 HE2 PHE 89 1.509 -1.046 -4.024 636 HZ PHE 89 HZ PHE 89 1.694 -0.502 -1.629 637 H GLU 90 HN GLU 90 -4.471 -3.400 -2.213 638 HA GLU 90 HA GLU 90 -7.289 -2.686 -2.701 639 1HB GLU 90 HB2 GLU 90 -6.009 -5.278 -2.117 640 2HB GLU 90 HB1 GLU 90 -7.445 -4.940 -1.161 641 1HG GLU 90 HG2 GLU 90 -8.785 -4.709 -3.112 642 2HG GLU 90 HG1 GLU 90 -7.368 -4.747 -4.160 643 H VAL 91 HN VAL 91 -7.995 -1.291 -1.248 644 HA VAL 91 HA VAL 91 -7.333 -1.675 1.576 645 HB VAL 91 HB VAL 91 -6.919 0.767 1.860 646 1HG1 VAL 91 HG11 VAL 91 -4.806 0.058 -0.041 647 2HG1 VAL 91 HG12 VAL 91 -5.158 -1.190 1.154 648 3HG1 VAL 91 HG13 VAL 91 -4.710 0.431 1.680 649 1HG2 VAL 91 HG21 VAL 91 -8.005 1.599 -0.138 650 2HG2 VAL 91 HG22 VAL 91 -6.838 0.757 -1.157 651 3HG2 VAL 91 HG23 VAL 91 -6.312 2.092 -0.131 652 H VAL 92 HN VAL 92 -8.649 -0.134 2.973 653 HA VAL 92 HA VAL 92 -11.251 0.505 1.764 654 HB VAL 92 HB VAL 92 -12.348 -0.315 3.887 655 1HG1 VAL 92 HG11 VAL 92 -11.841 -2.839 3.146 656 2HG1 VAL 92 HG12 VAL 92 -11.184 -1.987 1.749 657 3HG1 VAL 92 HG13 VAL 92 -12.866 -1.746 2.217 658 1HG2 VAL 92 HG21 VAL 92 -10.092 -2.168 4.353 659 2HG2 VAL 92 HG22 VAL 92 -11.240 -1.468 5.493 660 3HG2 VAL 92 HG23 VAL 92 -9.879 -0.509 4.913 661 H TYR 93 HN TYR 93 -12.202 2.363 2.499 662 HA TYR 93 HA TYR 93 -10.589 4.227 3.916 663 1HB TYR 93 HB2 TYR 93 -12.755 4.418 2.230 664 2HB TYR 93 HB1 TYR 93 -13.451 4.865 3.782 665 HD1 TYR 93 HD1 TYR 93 -11.019 6.229 4.976 666 HD2 TYR 93 HD2 TYR 93 -12.788 6.488 1.112 667 HE1 TYR 93 HE1 TYR 93 -10.122 8.503 4.721 668 HE2 TYR 93 HE2 TYR 93 -11.896 8.760 0.849 669 HH TYR 93 HH TYR 93 -11.092 10.679 2.955 670 H VAL 94 HN VAL 94 -10.361 4.500 6.038 671 HA VAL 94 HA VAL 94 -12.414 3.364 7.822 672 HB VAL 94 HB VAL 94 -10.582 3.242 9.541 673 1HG1 VAL 94 HG11 VAL 94 -9.409 1.280 8.284 674 2HG1 VAL 94 HG12 VAL 94 -10.614 1.610 7.039 675 3HG1 VAL 94 HG13 VAL 94 -11.126 1.177 8.671 676 1HG2 VAL 94 HG21 VAL 94 -8.420 3.764 9.111 677 2HG2 VAL 94 HG22 VAL 94 -9.149 4.835 7.915 678 3HG2 VAL 94 HG23 VAL 94 -8.521 3.263 7.423 679 H ALA 95 HN ALA 95 -13.141 4.544 9.564 680 HA ALA 95 HA ALA 95 -12.079 7.233 9.990 681 1HB ALA 95 HB1 ALA 95 -13.707 7.997 8.612 682 2HB ALA 95 HB2 ALA 95 -14.669 7.871 10.084 683 3HB ALA 95 HB3 ALA 95 -14.742 6.592 8.871 Start of MODEL 3 1 HT1 PRO 9 HT2 PRO 9 -16.712 -2.415 3.195 2 HT2 PRO 9 HT1 PRO 9 -15.466 -1.427 3.620 3 HA PRO 9 HA PRO 9 -16.927 -1.626 1.281 4 1HB PRO 9 HB2 PRO 9 -16.260 1.124 1.360 5 2HB PRO 9 HB1 PRO 9 -17.875 0.412 1.244 6 1HG PRO 9 HG2 PRO 9 -16.398 1.381 3.634 7 2HG PRO 9 HG1 PRO 9 -18.140 1.390 3.306 8 1HD PRO 9 HD2 PRO 9 -17.092 -0.353 5.032 9 2HD PRO 9 HD1 PRO 9 -18.395 -0.845 3.933 10 H ILE 10 HN ILE 10 -15.062 -2.826 0.770 11 HA ILE 10 HA ILE 10 -12.437 -1.663 1.025 12 HB ILE 10 HB ILE 10 -13.291 -4.162 -0.450 13 1HG1 ILE 10 HG12 ILE 10 -12.052 -3.879 2.295 14 2HG1 ILE 10 HG11 ILE 10 -13.762 -4.173 2.004 15 1HG2 ILE 10 HG21 ILE 10 -11.227 -3.850 -1.342 16 2HG2 ILE 10 HG22 ILE 10 -10.734 -4.617 0.167 17 3HG2 ILE 10 HG23 ILE 10 -10.669 -2.862 0.008 18 1HD1 ILE 10 HD11 ILE 10 -13.138 -6.311 2.307 19 2HD1 ILE 10 HD12 ILE 10 -11.467 -6.005 1.831 20 3HD1 ILE 10 HD13 ILE 10 -12.714 -6.198 0.599 21 H ARG 11 HN ARG 11 -11.126 -0.868 -0.585 22 HA ARG 11 HA ARG 11 -12.430 -0.353 -3.181 23 1HB ARG 11 HB2 ARG 11 -11.634 1.534 -1.357 24 2HB ARG 11 HB1 ARG 11 -10.236 1.449 -2.419 25 1HG ARG 11 HG2 ARG 11 -11.268 2.700 -3.921 26 2HG ARG 11 HG1 ARG 11 -12.589 1.535 -4.023 27 1HD ARG 11 HD2 ARG 11 -13.859 2.645 -2.420 28 2HD ARG 11 HD1 ARG 11 -12.460 3.491 -1.761 29 HE ARG 11 HE ARG 11 -13.065 4.206 -4.478 30 1HH1 ARG 11 HH11 ARG 11 -13.792 4.884 -1.120 31 2HH1 ARG 11 HH12 ARG 11 -14.321 6.502 -1.434 32 1HH2 ARG 11 HH21 ARG 11 -13.768 6.338 -4.884 33 2HH2 ARG 11 HH22 ARG 11 -14.308 7.327 -3.569 34 H LYS 12 HN LYS 12 -11.315 -0.762 -5.034 35 HA LYS 12 HA LYS 12 -8.627 -1.941 -4.737 36 1HB LYS 12 HB2 LYS 12 -11.028 -2.871 -6.105 37 2HB LYS 12 HB1 LYS 12 -9.637 -2.816 -7.179 38 1HG LYS 12 HG2 LYS 12 -9.338 -4.901 -6.378 39 2HG LYS 12 HG1 LYS 12 -8.495 -4.029 -5.097 40 1HD LYS 12 HD2 LYS 12 -10.218 -4.314 -3.587 41 2HD LYS 12 HD1 LYS 12 -11.432 -4.515 -4.852 42 1HE LYS 12 HE2 LYS 12 -9.297 -6.560 -4.728 43 2HE LYS 12 HE1 LYS 12 -10.451 -6.551 -3.397 44 1HZ LYS 12 HZ1 LYS 12 -12.143 -6.419 -5.397 45 2HZ LYS 12 HZ2 LYS 12 -11.542 -7.898 -4.841 46 3HZ LYS 12 HZ3 LYS 12 -10.875 -7.181 -6.220 47 H VAL 13 HN VAL 13 -7.059 -0.709 -5.551 48 HA VAL 13 HA VAL 13 -7.583 0.817 -8.014 49 HB VAL 13 HB VAL 13 -5.943 1.891 -5.712 50 1HG1 VAL 13 HG11 VAL 13 -5.883 3.941 -6.910 51 2HG1 VAL 13 HG12 VAL 13 -7.048 3.358 -8.098 52 3HG1 VAL 13 HG13 VAL 13 -5.424 2.672 -8.047 53 1HG2 VAL 13 HG21 VAL 13 -7.980 2.133 -4.744 54 2HG2 VAL 13 HG22 VAL 13 -8.842 2.079 -6.281 55 3HG2 VAL 13 HG23 VAL 13 -8.028 3.561 -5.778 56 H LEU 14 HN LEU 14 -5.920 0.886 -9.488 57 HA LEU 14 HA LEU 14 -3.658 -0.898 -8.947 58 1HB LEU 14 HB2 LEU 14 -5.339 -0.664 -11.121 59 2HB LEU 14 HB1 LEU 14 -3.903 0.187 -11.655 60 HG LEU 14 HG LEU 14 -3.755 -2.596 -10.516 61 1HD1 LEU 14 HD11 LEU 14 -4.294 -3.574 -12.478 62 2HD1 LEU 14 HD12 LEU 14 -3.673 -2.237 -13.445 63 3HD1 LEU 14 HD13 LEU 14 -5.259 -2.113 -12.683 64 1HD2 LEU 14 HD21 LEU 14 -1.591 -2.585 -11.154 65 2HD2 LEU 14 HD22 LEU 14 -1.779 -0.837 -11.022 66 3HD2 LEU 14 HD23 LEU 14 -1.907 -1.620 -12.596 67 H LEU 15 HN LEU 15 -1.604 -0.205 -8.813 68 HA LEU 15 HA LEU 15 -1.090 2.652 -9.326 69 1HB LEU 15 HB2 LEU 15 -0.743 1.193 -6.988 70 2HB LEU 15 HB1 LEU 15 0.874 1.289 -7.660 71 HG LEU 15 HG LEU 15 0.206 3.864 -7.892 72 1HD1 LEU 15 HD11 LEU 15 -1.210 3.140 -5.352 73 2HD1 LEU 15 HD12 LEU 15 -2.075 3.258 -6.884 74 3HD1 LEU 15 HD13 LEU 15 -1.228 4.664 -6.239 75 1HD2 LEU 15 HD21 LEU 15 1.082 3.955 -5.372 76 2HD2 LEU 15 HD22 LEU 15 2.131 3.561 -6.733 77 3HD2 LEU 15 HD23 LEU 15 1.459 2.271 -5.735 78 H LEU 16 HN LEU 16 0.150 3.054 -11.034 79 HA LEU 16 HA LEU 16 2.030 0.972 -11.936 80 1HB LEU 16 HB2 LEU 16 0.490 3.083 -13.422 81 2HB LEU 16 HB1 LEU 16 1.921 2.350 -14.122 82 HG LEU 16 HG LEU 16 0.716 0.098 -13.662 83 1HD1 LEU 16 HD11 LEU 16 -1.662 1.947 -13.713 84 2HD1 LEU 16 HD12 LEU 16 -1.074 1.104 -12.281 85 3HD1 LEU 16 HD13 LEU 16 -1.687 0.185 -13.655 86 1HD2 LEU 16 HD21 LEU 16 -0.769 0.670 -15.800 87 2HD2 LEU 16 HD22 LEU 16 0.979 0.453 -15.885 88 3HD2 LEU 16 HD23 LEU 16 0.295 2.078 -15.822 89 H LYS 17 HN LYS 17 4.063 1.380 -11.387 90 HA LYS 17 HA LYS 17 5.022 4.161 -11.518 91 1HB LYS 17 HB2 LYS 17 6.480 3.683 -9.573 92 2HB LYS 17 HB1 LYS 17 4.769 3.589 -9.182 93 1HG LYS 17 HG2 LYS 17 4.899 1.127 -9.377 94 2HG LYS 17 HG1 LYS 17 6.637 1.273 -9.645 95 1HD LYS 17 HD2 LYS 17 5.652 2.690 -7.274 96 2HD LYS 17 HD1 LYS 17 5.447 0.939 -7.213 97 1HE LYS 17 HE2 LYS 17 8.055 2.242 -7.951 98 2HE LYS 17 HE1 LYS 17 7.620 1.869 -6.284 99 1HZ LYS 17 HZ1 LYS 17 8.981 0.163 -7.593 100 2HZ LYS 17 HZ2 LYS 17 7.530 -0.217 -8.373 101 3HZ LYS 17 HZ3 LYS 17 7.662 -0.400 -6.697 102 H GLU 18 HN GLU 18 7.120 4.487 -12.234 103 HA GLU 18 HA GLU 18 8.145 2.471 -13.997 104 1HB GLU 18 HB2 GLU 18 8.737 5.307 -13.392 105 2HB GLU 18 HB1 GLU 18 10.088 4.355 -13.989 106 1HG GLU 18 HG2 GLU 18 7.873 3.770 -15.635 107 2HG GLU 18 HG1 GLU 18 7.930 5.520 -15.434 108 H ASP 19 HN ASP 19 10.495 1.892 -14.001 109 HA ASP 19 HA ASP 19 11.208 0.510 -11.682 110 1HB ASP 19 HB2 ASP 19 12.890 1.402 -14.032 111 2HB ASP 19 HB1 ASP 19 13.482 0.328 -12.768 112 H HIS 20 HN HIS 20 12.085 3.737 -12.786 113 HA HIS 20 HA HIS 20 13.995 4.173 -10.673 114 1HB HIS 20 HB2 HIS 20 14.145 6.451 -11.558 115 2HB HIS 20 HB1 HIS 20 14.269 5.268 -12.854 116 HD1 HIS 20 HD1 HIS 20 12.062 7.970 -11.524 117 HD2 HIS 20 HD2 HIS 20 12.155 5.294 -14.701 118 HE1 HIS 20 HE1 HIS 20 10.278 8.752 -13.113 119 HE2 HIS 20 HE2 HIS 20 10.253 7.027 -14.951 120 H GLU 21 HN GLU 21 10.583 4.790 -11.186 121 HA GLU 21 HA GLU 21 10.245 6.702 -9.108 122 1HB GLU 21 HB2 GLU 21 8.331 4.938 -10.619 123 2HB GLU 21 HB1 GLU 21 7.789 5.994 -9.321 124 1HG GLU 21 HG2 GLU 21 9.221 7.734 -10.807 125 2HG GLU 21 HG1 GLU 21 8.630 6.640 -12.057 126 H GLY 22 HN GLY 22 8.732 6.302 -7.230 127 1HA GLY 22 HA2 GLY 22 9.370 3.706 -5.965 128 2HA GLY 22 HA1 GLY 22 9.407 5.227 -5.089 129 H LEU 23 HN LEU 23 7.941 4.249 -3.577 130 HA LEU 23 HA LEU 23 5.400 3.246 -4.240 131 1HB LEU 23 HB2 LEU 23 6.871 3.430 -1.952 132 2HB LEU 23 HB1 LEU 23 5.617 4.613 -1.640 133 HG LEU 23 HG LEU 23 4.870 1.859 -2.554 134 1HD1 LEU 23 HD11 LEU 23 5.179 0.877 -0.541 135 2HD1 LEU 23 HD12 LEU 23 4.946 2.380 0.353 136 3HD1 LEU 23 HD13 LEU 23 6.489 2.053 -0.437 137 1HD2 LEU 23 HD21 LEU 23 2.784 2.417 -1.901 138 2HD2 LEU 23 HD22 LEU 23 3.382 4.060 -2.129 139 3HD2 LEU 23 HD23 LEU 23 3.350 3.350 -0.515 140 H GLY 24 HN GLY 24 6.127 6.430 -2.753 141 1HA GLY 24 HA2 GLY 24 5.221 8.451 -3.760 142 2HA GLY 24 HA1 GLY 24 3.823 7.513 -4.249 143 H ILE 25 HN ILE 25 4.104 6.286 -1.350 144 HA ILE 25 HA ILE 25 3.071 8.551 0.185 145 HB ILE 25 HB ILE 25 1.164 7.132 1.008 146 1HG1 ILE 25 HG12 ILE 25 1.200 5.540 -1.481 147 2HG1 ILE 25 HG11 ILE 25 2.407 5.088 -0.283 148 1HG2 ILE 25 HG21 ILE 25 -0.208 8.145 -0.453 149 2HG2 ILE 25 HG22 ILE 25 0.594 7.439 -1.855 150 3HG2 ILE 25 HG23 ILE 25 1.279 8.862 -1.073 151 1HD1 ILE 25 HD11 ILE 25 0.013 4.010 -0.312 152 2HD1 ILE 25 HD12 ILE 25 -0.391 5.449 0.622 153 3HD1 ILE 25 HD13 ILE 25 0.855 4.344 1.201 154 H SER 26 HN SER 26 2.764 7.997 2.507 155 HA SER 26 HA SER 26 4.811 6.061 3.360 156 1HB SER 26 HB2 SER 26 5.192 8.439 3.995 157 2HB SER 26 HB1 SER 26 3.684 8.410 4.908 158 HG SER 26 HG SER 26 5.009 7.813 6.451 159 H ILE 27 HN ILE 27 4.311 4.429 4.738 160 HA ILE 27 HA ILE 27 1.514 4.261 5.658 161 HB ILE 27 HB ILE 27 1.821 1.760 5.584 162 1HG1 ILE 27 HG12 ILE 27 4.114 2.351 3.716 163 2HG1 ILE 27 HG11 ILE 27 4.367 1.968 5.415 164 1HG2 ILE 27 HG21 ILE 27 1.227 1.584 3.284 165 2HG2 ILE 27 HG22 ILE 27 2.047 3.096 2.895 166 3HG2 ILE 27 HG23 ILE 27 0.586 3.115 3.882 167 1HD1 ILE 27 HD11 ILE 27 2.637 0.024 4.212 168 2HD1 ILE 27 HD12 ILE 27 4.199 -0.198 4.998 169 3HD1 ILE 27 HD13 ILE 27 4.124 0.190 3.280 170 H THR 28 HN THR 28 1.117 3.203 7.664 171 HA THR 28 HA THR 28 3.431 2.722 9.380 172 HB THR 28 HB THR 28 2.974 5.042 9.804 173 HG1 THR 28 HG1 THR 28 3.208 4.630 11.829 174 1HG2 THR 28 HG21 THR 28 0.615 5.044 8.973 175 2HG2 THR 28 HG22 THR 28 0.890 5.947 10.463 176 3HG2 THR 28 HG23 THR 28 0.141 4.351 10.524 177 H GLY 29 HN GLY 29 3.079 1.295 11.061 178 1HA GLY 29 HA2 GLY 29 0.970 0.406 12.387 179 2HA GLY 29 HA1 GLY 29 0.650 -0.311 10.815 180 H GLY 30 HN GLY 30 0.769 -2.332 12.150 181 1HA GLY 30 HA2 GLY 30 3.139 -3.726 11.639 182 2HA GLY 30 HA1 GLY 30 3.199 -3.194 13.310 183 H LYS 31 HN LYS 31 2.230 -5.638 11.257 184 HA LYS 31 HA LYS 31 -0.127 -6.606 12.400 185 1HB LYS 31 HB2 LYS 31 0.998 -7.405 10.280 186 2HB LYS 31 HB1 LYS 31 2.096 -8.324 11.300 187 1HG LYS 31 HG2 LYS 31 0.380 -9.783 10.516 188 2HG LYS 31 HG1 LYS 31 0.140 -9.520 12.244 189 1HD LYS 31 HD2 LYS 31 -1.439 -7.596 11.412 190 2HD LYS 31 HD1 LYS 31 -1.469 -8.547 9.926 191 1HE LYS 31 HE2 LYS 31 -2.690 -10.201 10.851 192 2HE LYS 31 HE1 LYS 31 -1.870 -10.076 12.407 193 1HZ LYS 31 HZ1 LYS 31 -3.899 -9.284 12.990 194 2HZ LYS 31 HZ2 LYS 31 -4.253 -8.683 11.450 195 3HZ LYS 31 HZ3 LYS 31 -3.219 -7.823 12.475 196 H GLU 32 HN GLU 32 3.242 -7.056 13.378 197 HA GLU 32 HA GLU 32 2.765 -9.046 15.330 198 1HB GLU 32 HB2 GLU 32 4.999 -7.195 14.678 199 2HB GLU 32 HB1 GLU 32 4.985 -7.898 16.291 200 1HG GLU 32 HG2 GLU 32 4.513 -10.082 14.736 201 2HG GLU 32 HG1 GLU 32 5.572 -9.124 13.703 202 H HIS 33 HN HIS 33 2.513 -5.552 15.386 203 HA HIS 33 HA HIS 33 2.381 -5.311 18.232 204 1HB HIS 33 HB2 HIS 33 1.723 -3.466 15.947 205 2HB HIS 33 HB1 HIS 33 1.334 -3.028 17.606 206 HD1 HIS 33 HD1 HIS 33 3.697 -3.537 19.214 207 HD2 HIS 33 HD2 HIS 33 4.055 -2.306 15.260 208 HE1 HIS 33 HE1 HIS 33 5.990 -2.521 19.031 209 HE2 HIS 33 HE2 HIS 33 6.158 -1.720 16.648 210 H GLY 34 HN GLY 34 0.063 -5.963 15.699 211 1HA GLY 34 HA2 GLY 34 -1.966 -7.149 16.348 212 2HA GLY 34 HA1 GLY 34 -2.049 -6.109 17.759 213 H VAL 35 HN VAL 35 -1.193 -4.672 14.714 214 HA VAL 35 HA VAL 35 -3.930 -3.914 14.115 215 HB VAL 35 HB VAL 35 -3.262 -2.219 15.753 216 1HG1 VAL 35 HG11 VAL 35 -0.830 -2.330 15.341 217 2HG1 VAL 35 HG12 VAL 35 -1.450 -0.680 15.349 218 3HG1 VAL 35 HG13 VAL 35 -1.073 -1.473 13.819 219 1HG2 VAL 35 HG21 VAL 35 -4.033 -0.361 14.575 220 2HG2 VAL 35 HG22 VAL 35 -4.672 -1.725 13.659 221 3HG2 VAL 35 HG23 VAL 35 -3.247 -0.863 13.078 222 HA PRO 36 HA PRO 36 -2.245 -4.409 10.028 223 1HB PRO 36 HB2 PRO 36 -4.584 -2.798 9.183 224 2HB PRO 36 HB1 PRO 36 -4.105 -4.427 8.694 225 1HG PRO 36 HG2 PRO 36 -6.187 -4.033 10.321 226 2HG PRO 36 HG1 PRO 36 -5.097 -5.416 10.538 227 1HD PRO 36 HD2 PRO 36 -5.218 -2.839 12.057 228 2HD PRO 36 HD1 PRO 36 -4.958 -4.491 12.658 229 H ILE 37 HN ILE 37 -1.301 -3.151 8.355 230 HA ILE 37 HA ILE 37 -0.461 -0.524 9.224 231 HB ILE 37 HB ILE 37 0.269 -1.949 6.660 232 1HG1 ILE 37 HG12 ILE 37 2.458 -2.160 8.293 233 2HG1 ILE 37 HG11 ILE 37 1.144 -2.369 9.444 234 1HG2 ILE 37 HG21 ILE 37 0.675 0.639 7.239 235 2HG2 ILE 37 HG22 ILE 37 1.790 -0.323 6.271 236 3HG2 ILE 37 HG23 ILE 37 2.113 -0.060 7.984 237 1HD1 ILE 37 HD11 ILE 37 1.166 -3.939 6.908 238 2HD1 ILE 37 HD12 ILE 37 0.421 -4.321 8.459 239 3HD1 ILE 37 HD13 ILE 37 2.170 -4.431 8.271 240 H LEU 38 HN LEU 38 -1.115 1.404 8.426 241 HA LEU 38 HA LEU 38 -2.839 1.415 6.046 242 1HB LEU 38 HB2 LEU 38 -4.260 3.141 7.176 243 2HB LEU 38 HB1 LEU 38 -4.385 1.524 7.839 244 HG LEU 38 HG LEU 38 -2.455 3.368 9.144 245 1HD1 LEU 38 HD11 LEU 38 -4.609 4.016 10.562 246 2HD1 LEU 38 HD12 LEU 38 -5.377 3.833 8.985 247 3HD1 LEU 38 HD13 LEU 38 -4.053 4.979 9.193 248 1HD2 LEU 38 HD21 LEU 38 -4.482 1.698 10.545 249 2HD2 LEU 38 HD22 LEU 38 -2.809 2.049 10.978 250 3HD2 LEU 38 HD23 LEU 38 -3.163 0.885 9.702 251 H ILE 39 HN ILE 39 -3.052 3.531 5.011 252 HA ILE 39 HA ILE 39 -0.506 4.880 4.882 253 HB ILE 39 HB ILE 39 -3.046 5.628 3.426 254 1HG1 ILE 39 HG12 ILE 39 -0.849 3.883 2.322 255 2HG1 ILE 39 HG11 ILE 39 -2.251 3.199 3.137 256 1HG2 ILE 39 HG21 ILE 39 -0.154 6.122 2.724 257 2HG2 ILE 39 HG22 ILE 39 -1.241 7.311 3.444 258 3HG2 ILE 39 HG23 ILE 39 -1.567 6.682 1.829 259 1HD1 ILE 39 HD11 ILE 39 -2.308 4.917 0.668 260 2HD1 ILE 39 HD12 ILE 39 -3.715 4.237 1.484 261 3HD1 ILE 39 HD13 ILE 39 -2.531 3.169 0.730 262 H SER 40 HN SER 40 0.051 6.616 6.020 263 HA SER 40 HA SER 40 -2.069 8.212 7.291 264 1HB SER 40 HB2 SER 40 0.565 7.267 8.176 265 2HB SER 40 HB1 SER 40 0.259 8.966 8.535 266 HG SER 40 HG SER 40 -1.366 8.422 9.834 267 H GLU 41 HN GLU 41 0.748 8.405 5.190 268 HA GLU 41 HA GLU 41 0.120 11.246 4.742 269 1HB GLU 41 HB2 GLU 41 2.696 10.008 5.485 270 2HB GLU 41 HB1 GLU 41 2.773 11.185 4.182 271 1HG GLU 41 HG2 GLU 41 2.175 12.933 5.531 272 2HG GLU 41 HG1 GLU 41 1.296 11.905 6.661 273 H ILE 42 HN ILE 42 0.670 12.071 2.651 274 HA ILE 42 HA ILE 42 1.064 10.019 0.577 275 HB ILE 42 HB ILE 42 -0.865 12.335 0.343 276 1HG1 ILE 42 HG12 ILE 42 -1.479 9.391 0.714 277 2HG1 ILE 42 HG11 ILE 42 -1.636 10.616 1.968 278 1HG2 ILE 42 HG21 ILE 42 -0.630 11.948 -1.838 279 2HG2 ILE 42 HG22 ILE 42 -1.487 10.432 -1.562 280 3HG2 ILE 42 HG23 ILE 42 0.276 10.461 -1.559 281 1HD1 ILE 42 HD11 ILE 42 -3.495 11.553 1.007 282 2HD1 ILE 42 HD12 ILE 42 -3.711 9.850 0.606 283 3HD1 ILE 42 HD13 ILE 42 -3.089 10.969 -0.606 284 H HIS 43 HN HIS 43 2.916 10.466 -0.428 285 HA HIS 43 HA HIS 43 4.024 13.130 -0.429 286 1HB HIS 43 HB2 HIS 43 5.116 10.725 -1.891 287 2HB HIS 43 HB1 HIS 43 5.990 12.160 -1.375 288 HD1 HIS 43 HD1 HIS 43 5.467 12.389 1.527 289 HD2 HIS 43 HD2 HIS 43 5.934 8.694 -0.317 290 HE1 HIS 43 HE1 HIS 43 6.140 10.804 3.359 291 HE2 HIS 43 HE2 HIS 43 6.536 8.604 2.197 292 HA PRO 44 HA PRO 44 2.184 14.208 -4.347 293 1HB PRO 44 HB2 PRO 44 3.394 16.601 -4.671 294 2HB PRO 44 HB1 PRO 44 2.087 16.349 -3.508 295 1HG PRO 44 HG2 PRO 44 5.041 16.458 -3.048 296 2HG PRO 44 HG1 PRO 44 3.731 17.160 -2.084 297 1HD PRO 44 HD2 PRO 44 4.998 14.833 -1.435 298 2HD PRO 44 HD1 PRO 44 3.319 15.190 -0.985 299 H GLY 45 HN GLY 45 2.801 14.592 -6.547 300 1HA GLY 45 HA2 GLY 45 4.146 14.451 -8.415 301 2HA GLY 45 HA1 GLY 45 5.545 14.596 -7.364 302 H GLN 46 HN GLN 46 3.080 12.113 -7.030 303 HA GLN 46 HA GLN 46 4.866 10.117 -8.207 304 1HB GLN 46 HB2 GLN 46 4.353 10.457 -5.374 305 2HB GLN 46 HB1 GLN 46 3.820 8.874 -5.924 306 1HG GLN 46 HG2 GLN 46 5.903 8.144 -5.906 307 2HG GLN 46 HG1 GLN 46 6.372 9.397 -7.055 308 1HE2 GLN 46 HE21 GLN 46 6.126 11.679 -5.643 309 2HE2 GLN 46 HE22 GLN 46 7.208 11.681 -4.297 310 HA PRO 47 HA PRO 47 1.355 7.989 -9.827 311 1HB PRO 47 HB2 PRO 47 1.822 5.673 -8.014 312 2HB PRO 47 HB1 PRO 47 1.648 5.711 -9.772 313 1HG PRO 47 HG2 PRO 47 4.038 5.387 -8.651 314 2HG PRO 47 HG1 PRO 47 3.841 6.382 -10.106 315 1HD PRO 47 HD2 PRO 47 4.241 7.225 -7.268 316 2HD PRO 47 HD1 PRO 47 4.855 7.963 -8.763 317 H ALA 48 HN ALA 48 1.630 7.895 -6.302 318 HA ALA 48 HA ALA 48 -0.957 7.099 -5.637 319 1HB ALA 48 HB1 ALA 48 -0.578 8.225 -3.492 320 2HB ALA 48 HB2 ALA 48 0.833 9.036 -4.170 321 3HB ALA 48 HB3 ALA 48 0.826 7.281 -3.990 322 H ASP 49 HN ASP 49 0.312 10.366 -6.243 323 HA ASP 49 HA ASP 49 -2.174 11.683 -5.787 324 1HB ASP 49 HB2 ASP 49 0.092 12.770 -5.649 325 2HB ASP 49 HB1 ASP 49 0.169 12.702 -7.407 326 H ARG 50 HN ARG 50 -0.485 10.528 -8.675 327 HA ARG 50 HA ARG 50 -2.268 11.595 -10.583 328 1HB ARG 50 HB2 ARG 50 -0.453 9.185 -10.735 329 2HB ARG 50 HB1 ARG 50 -1.295 9.882 -12.112 330 1HG ARG 50 HG2 ARG 50 -0.066 11.956 -11.849 331 2HG ARG 50 HG1 ARG 50 0.735 11.321 -10.411 332 1HD ARG 50 HD2 ARG 50 2.350 10.840 -11.934 333 2HD ARG 50 HD1 ARG 50 1.380 9.378 -12.110 334 HE ARG 50 HE ARG 50 0.596 11.495 -13.888 335 1HH1 ARG 50 HH11 ARG 50 2.793 8.806 -13.450 336 2HH1 ARG 50 HH12 ARG 50 3.041 8.572 -15.147 337 1HH2 ARG 50 HH21 ARG 50 0.930 11.181 -16.127 338 2HH2 ARG 50 HH22 ARG 50 1.986 9.918 -16.665 339 H CYS 51 HN CYS 51 -2.417 8.707 -8.602 340 HA CYS 51 HA CYS 51 -4.387 7.348 -10.145 341 1HB CYS 51 HB2 CYS 51 -2.825 6.779 -7.873 342 2HB CYS 51 HB1 CYS 51 -4.498 6.659 -7.342 343 HG CYS 51 HG CYS 51 -3.330 4.937 -9.656 344 H GLY 52 HN GLY 52 -4.525 9.828 -7.676 345 1HA GLY 52 HA2 GLY 52 -6.282 11.049 -6.842 346 2HA GLY 52 HA1 GLY 52 -7.189 10.522 -8.248 347 H GLY 53 HN GLY 53 -5.971 7.995 -6.265 348 1HA GLY 53 HA2 GLY 53 -8.636 7.675 -5.023 349 2HA GLY 53 HA1 GLY 53 -7.719 6.327 -5.677 350 H LEU 54 HN LEU 54 -5.155 7.316 -4.614 351 HA LEU 54 HA LEU 54 -5.279 6.041 -2.078 352 1HB LEU 54 HB2 LEU 54 -3.273 6.815 -3.895 353 2HB LEU 54 HB1 LEU 54 -2.904 7.647 -2.397 354 HG LEU 54 HG LEU 54 -3.036 5.412 -1.232 355 1HD1 LEU 54 HD11 LEU 54 -2.782 4.235 -3.980 356 2HD1 LEU 54 HD12 LEU 54 -4.342 4.384 -3.173 357 3HD1 LEU 54 HD13 LEU 54 -3.063 3.412 -2.446 358 1HD2 LEU 54 HD21 LEU 54 -0.872 6.114 -1.486 359 2HD2 LEU 54 HD22 LEU 54 -0.984 6.189 -3.244 360 3HD2 LEU 54 HD23 LEU 54 -0.833 4.630 -2.436 361 H HIS 55 HN HIS 55 -6.677 7.123 -0.724 362 HA HIS 55 HA HIS 55 -6.122 9.931 -0.112 363 1HB HIS 55 HB2 HIS 55 -8.282 9.856 1.121 364 2HB HIS 55 HB1 HIS 55 -8.447 9.440 -0.581 365 HD1 HIS 55 HD1 HIS 55 -7.942 7.519 2.680 366 HD2 HIS 55 HD2 HIS 55 -10.010 7.262 -0.917 367 HE1 HIS 55 HE1 HIS 55 -9.287 5.404 2.827 368 HE2 HIS 55 HE2 HIS 55 -10.459 5.221 0.607 369 H VAL 56 HN VAL 56 -6.025 10.649 2.106 370 HA VAL 56 HA VAL 56 -4.239 9.133 3.684 371 HB VAL 56 HB VAL 56 -5.945 11.418 4.682 372 1HG1 VAL 56 HG11 VAL 56 -3.147 11.044 5.551 373 2HG1 VAL 56 HG12 VAL 56 -4.307 9.841 6.115 374 3HG1 VAL 56 HG13 VAL 56 -4.564 11.550 6.468 375 1HG2 VAL 56 HG21 VAL 56 -4.951 12.278 2.725 376 2HG2 VAL 56 HG22 VAL 56 -3.421 11.460 3.046 377 3HG2 VAL 56 HG23 VAL 56 -3.922 12.820 4.052 378 H GLY 57 HN GLY 57 -4.547 7.760 5.361 379 1HA GLY 57 HA2 GLY 57 -5.678 6.670 7.087 380 2HA GLY 57 HA1 GLY 57 -7.136 7.554 6.661 381 H ASP 58 HN ASP 58 -4.995 5.379 4.828 382 HA ASP 58 HA ASP 58 -7.370 3.798 4.094 383 1HB ASP 58 HB2 ASP 58 -5.305 4.948 2.501 384 2HB ASP 58 HB1 ASP 58 -5.148 3.197 2.400 385 H ALA 59 HN ALA 59 -7.495 1.780 4.858 386 HA ALA 59 HA ALA 59 -5.175 0.647 6.215 387 1HB ALA 59 HB1 ALA 59 -8.100 0.205 6.305 388 2HB ALA 59 HB2 ALA 59 -6.927 0.315 7.617 389 3HB ALA 59 HB3 ALA 59 -7.067 -1.174 6.681 390 H ILE 60 HN ILE 60 -3.860 -0.728 5.248 391 HA ILE 60 HA ILE 60 -4.413 -1.797 2.657 392 HB ILE 60 HB ILE 60 -2.161 -2.619 4.486 393 1HG1 ILE 60 HG12 ILE 60 -1.965 -0.456 2.399 394 2HG1 ILE 60 HG11 ILE 60 -2.429 -0.080 4.054 395 1HG2 ILE 60 HG21 ILE 60 -2.802 -2.985 1.612 396 2HG2 ILE 60 HG22 ILE 60 -2.032 -4.087 2.753 397 3HG2 ILE 60 HG23 ILE 60 -1.111 -2.754 2.057 398 1HD1 ILE 60 HD11 ILE 60 -0.286 -1.267 4.747 399 2HD1 ILE 60 HD12 ILE 60 -0.132 0.308 3.966 400 3HD1 ILE 60 HD13 ILE 60 0.172 -1.166 3.047 401 H LEU 61 HN LEU 61 -4.757 -3.890 2.016 402 HA LEU 61 HA LEU 61 -5.274 -5.881 4.117 403 1HB LEU 61 HB2 LEU 61 -7.021 -5.166 1.771 404 2HB LEU 61 HB1 LEU 61 -7.147 -6.713 2.587 405 HG LEU 61 HG LEU 61 -7.605 -4.006 3.850 406 1HD1 LEU 61 HD11 LEU 61 -9.940 -4.853 4.063 407 2HD1 LEU 61 HD12 LEU 61 -9.493 -6.202 3.018 408 3HD1 LEU 61 HD13 LEU 61 -9.427 -4.549 2.403 409 1HD2 LEU 61 HD21 LEU 61 -7.676 -6.794 4.979 410 2HD2 LEU 61 HD22 LEU 61 -8.465 -5.419 5.754 411 3HD2 LEU 61 HD23 LEU 61 -6.716 -5.420 5.527 412 H ALA 62 HN ALA 62 -4.910 -5.473 0.570 413 HA ALA 62 HA ALA 62 -3.005 -7.695 0.581 414 1HB ALA 62 HB1 ALA 62 -5.489 -7.624 -1.119 415 2HB ALA 62 HB2 ALA 62 -5.029 -8.838 0.074 416 3HB ALA 62 HB3 ALA 62 -4.117 -8.687 -1.427 417 H VAL 63 HN VAL 63 -1.486 -7.665 -1.056 418 HA VAL 63 HA VAL 63 -1.568 -5.391 -2.927 419 HB VAL 63 HB VAL 63 0.944 -6.297 -1.511 420 1HG1 VAL 63 HG11 VAL 63 0.405 -3.799 -3.112 421 2HG1 VAL 63 HG12 VAL 63 1.191 -5.242 -3.750 422 3HG1 VAL 63 HG13 VAL 63 1.950 -4.327 -2.447 423 1HG2 VAL 63 HG21 VAL 63 -0.440 -5.342 0.177 424 2HG2 VAL 63 HG22 VAL 63 -0.903 -4.003 -0.873 425 3HG2 VAL 63 HG23 VAL 63 0.752 -4.122 -0.275 426 H ASN 64 HN ASN 64 -1.537 -6.154 -4.934 427 HA ASN 64 HA ASN 64 -1.172 -7.465 -6.752 428 1HB ASN 64 HB2 ASN 64 1.253 -6.785 -5.937 429 2HB ASN 64 HB1 ASN 64 1.381 -8.505 -5.585 430 1HD2 ASN 64 HD21 ASN 64 1.672 -6.130 -7.949 431 2HD2 ASN 64 HD22 ASN 64 1.799 -7.161 -9.329 432 H GLY 65 HN GLY 65 -2.714 -8.599 -4.643 433 1HA GLY 65 HA2 GLY 65 -3.800 -10.659 -4.499 434 2HA GLY 65 HA1 GLY 65 -2.472 -11.400 -5.372 435 H VAL 66 HN VAL 66 -0.676 -9.931 -3.251 436 HA VAL 66 HA VAL 66 -0.595 -12.201 -1.455 437 HB VAL 66 HB VAL 66 1.179 -9.757 -1.429 438 1HG1 VAL 66 HG11 VAL 66 2.720 -11.753 -0.537 439 2HG1 VAL 66 HG12 VAL 66 1.150 -12.343 0.007 440 3HG1 VAL 66 HG13 VAL 66 1.726 -10.760 0.528 441 1HG2 VAL 66 HG21 VAL 66 1.108 -11.006 -3.634 442 2HG2 VAL 66 HG22 VAL 66 1.801 -12.378 -2.770 443 3HG2 VAL 66 HG23 VAL 66 2.692 -10.860 -2.873 444 H ASN 67 HN ASN 67 -1.183 -12.233 0.645 445 HA ASN 67 HA ASN 67 -2.813 -10.083 1.640 446 1HB ASN 67 HB2 ASN 67 -3.063 -12.682 1.984 447 2HB ASN 67 HB1 ASN 67 -1.973 -12.407 3.340 448 1HD2 ASN 67 HD21 ASN 67 -4.557 -13.366 3.665 449 2HD2 ASN 67 HD22 ASN 67 -5.495 -12.173 4.490 450 H LEU 68 HN LEU 68 -2.277 -8.521 3.046 451 HA LEU 68 HA LEU 68 0.491 -8.370 3.939 452 1HB LEU 68 HB2 LEU 68 -1.202 -6.467 3.002 453 2HB LEU 68 HB1 LEU 68 -1.388 -6.241 4.731 454 HG LEU 68 HG LEU 68 1.279 -6.266 4.637 455 1HD1 LEU 68 HD11 LEU 68 2.096 -5.123 2.658 456 2HD1 LEU 68 HD12 LEU 68 0.482 -5.161 1.949 457 3HD1 LEU 68 HD13 LEU 68 1.360 -6.665 2.221 458 1HD2 LEU 68 HD21 LEU 68 1.219 -3.941 4.878 459 2HD2 LEU 68 HD22 LEU 68 -0.375 -4.472 5.414 460 3HD2 LEU 68 HD23 LEU 68 -0.172 -3.774 3.808 461 H ARG 69 HN ARG 69 -2.690 -8.957 5.242 462 HA ARG 69 HA ARG 69 -2.114 -8.434 7.967 463 1HB ARG 69 HB2 ARG 69 -4.401 -8.797 6.746 464 2HB ARG 69 HB1 ARG 69 -4.125 -10.490 7.128 465 1HG ARG 69 HG2 ARG 69 -4.483 -10.199 9.340 466 2HG ARG 69 HG1 ARG 69 -3.816 -8.565 9.349 467 1HD ARG 69 HD2 ARG 69 -5.808 -7.631 8.530 468 2HD ARG 69 HD1 ARG 69 -6.429 -9.197 8.009 469 HE ARG 69 HE ARG 69 -6.232 -9.519 10.670 470 1HH1 ARG 69 HH11 ARG 69 -7.701 -7.000 8.726 471 2HH1 ARG 69 HH12 ARG 69 -8.893 -6.609 9.919 472 1HH2 ARG 69 HH21 ARG 69 -7.807 -8.998 12.231 473 2HH2 ARG 69 HH22 ARG 69 -8.953 -7.740 11.907 474 H ASP 70 HN ASP 70 -1.481 -11.175 5.897 475 HA ASP 70 HA ASP 70 -0.863 -12.894 8.167 476 1HB ASP 70 HB2 ASP 70 -1.988 -13.535 5.847 477 2HB ASP 70 HB1 ASP 70 -0.311 -13.735 5.354 478 H THR 71 HN THR 71 0.776 -10.434 7.040 479 HA THR 71 HA THR 71 3.371 -11.735 7.429 480 HB THR 71 HB THR 71 3.146 -11.526 5.022 481 HG1 THR 71 HG1 THR 71 4.998 -10.372 4.646 482 1HG2 THR 71 HG21 THR 71 2.467 -8.660 5.581 483 2HG2 THR 71 HG22 THR 71 1.555 -9.849 4.653 484 3HG2 THR 71 HG23 THR 71 3.069 -9.211 4.016 485 H LYS 72 HN LYS 72 5.132 -9.911 7.620 486 HA LYS 72 HA LYS 72 4.103 -8.005 9.588 487 1HB LYS 72 HB2 LYS 72 6.635 -9.434 9.182 488 2HB LYS 72 HB1 LYS 72 6.840 -7.747 9.632 489 1HG LYS 72 HG2 LYS 72 6.853 -8.951 11.645 490 2HG LYS 72 HG1 LYS 72 5.258 -8.203 11.554 491 1HD LYS 72 HD2 LYS 72 4.517 -10.273 12.040 492 2HD LYS 72 HD1 LYS 72 4.786 -10.578 10.323 493 1HE LYS 72 HE2 LYS 72 7.196 -10.906 11.931 494 2HE LYS 72 HE1 LYS 72 5.893 -11.986 12.423 495 1HZ LYS 72 HZ1 LYS 72 7.499 -12.760 10.605 496 2HZ LYS 72 HZ2 LYS 72 6.644 -11.723 9.579 497 3HZ LYS 72 HZ3 LYS 72 5.842 -12.997 10.351 498 H HIS 73 HN HIS 73 5.015 -5.796 9.622 499 HA HIS 73 HA HIS 73 4.578 -4.428 7.236 500 1HB HIS 73 HB2 HIS 73 4.429 -3.327 9.409 501 2HB HIS 73 HB1 HIS 73 6.157 -3.540 9.661 502 HD1 HIS 73 HD1 HIS 73 7.574 -1.614 9.003 503 HD2 HIS 73 HD2 HIS 73 3.881 -1.545 7.099 504 HE1 HIS 73 HE1 HIS 73 7.516 0.552 7.728 505 HE2 HIS 73 HE2 HIS 73 5.219 0.633 6.700 506 H LYS 74 HN LYS 74 7.702 -5.180 8.802 507 HA LYS 74 HA LYS 74 9.362 -4.044 6.864 508 1HB LYS 74 HB2 LYS 74 9.793 -5.284 9.237 509 2HB LYS 74 HB1 LYS 74 10.337 -6.535 8.130 510 1HG LYS 74 HG2 LYS 74 12.083 -5.260 7.329 511 2HG LYS 74 HG1 LYS 74 11.325 -3.737 7.797 512 1HD LYS 74 HD2 LYS 74 12.572 -3.756 9.640 513 2HD LYS 74 HD1 LYS 74 11.669 -5.171 10.179 514 1HE LYS 74 HE2 LYS 74 13.644 -6.222 10.171 515 2HE LYS 74 HE1 LYS 74 13.462 -6.259 8.418 516 1HZ LYS 74 HZ1 LYS 74 14.680 -3.898 9.679 517 2HZ LYS 74 HZ2 LYS 74 14.937 -4.545 8.138 518 3HZ LYS 74 HZ3 LYS 74 15.609 -5.300 9.492 519 H GLU 75 HN GLU 75 8.020 -7.323 7.078 520 HA GLU 75 HA GLU 75 9.360 -8.339 4.796 521 1HB GLU 75 HB2 GLU 75 7.878 -9.464 6.772 522 2HB GLU 75 HB1 GLU 75 6.715 -9.483 5.454 523 1HG GLU 75 HG2 GLU 75 7.715 -11.512 5.172 524 2HG GLU 75 HG1 GLU 75 8.704 -10.513 4.108 525 H ALA 76 HN ALA 76 6.256 -6.728 5.267 526 HA ALA 76 HA ALA 76 5.201 -7.168 2.691 527 1HB ALA 76 HB1 ALA 76 4.605 -5.329 4.935 528 2HB ALA 76 HB2 ALA 76 3.548 -6.437 4.059 529 3HB ALA 76 HB3 ALA 76 3.988 -4.887 3.343 530 H VAL 77 HN VAL 77 7.413 -4.736 3.947 531 HA VAL 77 HA VAL 77 7.285 -2.911 1.807 532 HB VAL 77 HB VAL 77 9.741 -3.501 3.470 533 1HG1 VAL 77 HG11 VAL 77 10.313 -1.175 3.020 534 2HG1 VAL 77 HG12 VAL 77 8.840 -0.985 2.068 535 3HG1 VAL 77 HG13 VAL 77 10.113 -2.072 1.514 536 1HG2 VAL 77 HG21 VAL 77 7.171 -2.377 4.241 537 2HG2 VAL 77 HG22 VAL 77 8.513 -1.280 4.563 538 3HG2 VAL 77 HG23 VAL 77 8.521 -2.906 5.244 539 H THR 78 HN THR 78 9.198 -5.834 2.314 540 HA THR 78 HA THR 78 10.856 -5.568 0.040 541 HB THR 78 HB THR 78 9.972 -8.097 1.450 542 HG1 THR 78 HG1 THR 78 11.108 -7.308 3.016 543 1HG2 THR 78 HG21 THR 78 12.290 -7.538 -0.374 544 2HG2 THR 78 HG22 THR 78 11.024 -8.752 -0.558 545 3HG2 THR 78 HG23 THR 78 12.227 -8.920 0.721 546 H ILE 79 HN ILE 79 7.765 -7.236 0.579 547 HA ILE 79 HA ILE 79 7.529 -8.397 -1.973 548 HB ILE 79 HB ILE 79 5.254 -7.492 -0.201 549 1HG1 ILE 79 HG12 ILE 79 6.260 -10.307 -0.249 550 2HG1 ILE 79 HG11 ILE 79 7.142 -9.121 0.703 551 1HG2 ILE 79 HG21 ILE 79 4.164 -9.524 -1.346 552 2HG2 ILE 79 HG22 ILE 79 5.446 -9.351 -2.545 553 3HG2 ILE 79 HG23 ILE 79 4.317 -8.026 -2.264 554 1HD1 ILE 79 HD11 ILE 79 4.581 -8.654 1.486 555 2HD1 ILE 79 HD12 ILE 79 5.729 -9.694 2.329 556 3HD1 ILE 79 HD13 ILE 79 4.566 -10.395 1.204 557 H LEU 80 HN LEU 80 6.494 -5.245 -0.725 558 HA LEU 80 HA LEU 80 5.052 -4.385 -2.974 559 1HB LEU 80 HB2 LEU 80 6.584 -2.851 -0.878 560 2HB LEU 80 HB1 LEU 80 5.633 -2.067 -2.125 561 HG LEU 80 HG LEU 80 4.257 -4.113 -0.469 562 1HD1 LEU 80 HD11 LEU 80 5.042 -3.145 1.417 563 2HD1 LEU 80 HD12 LEU 80 3.792 -1.956 1.053 564 3HD1 LEU 80 HD13 LEU 80 5.468 -1.640 0.603 565 1HD2 LEU 80 HD21 LEU 80 2.370 -2.743 -0.848 566 2HD2 LEU 80 HD22 LEU 80 3.250 -2.787 -2.376 567 3HD2 LEU 80 HD23 LEU 80 3.369 -1.371 -1.331 568 H SER 81 HN SER 81 8.495 -4.200 -2.185 569 HA SER 81 HA SER 81 9.255 -2.580 -4.377 570 1HB SER 81 HB2 SER 81 10.765 -2.757 -2.526 571 2HB SER 81 HB1 SER 81 10.825 -4.514 -2.662 572 HG SER 81 HG SER 81 12.613 -3.918 -3.701 573 H GLN 82 HN GLN 82 8.728 -6.031 -4.032 574 HA GLN 82 HA GLN 82 10.075 -6.878 -6.366 575 1HB GLN 82 HB2 GLN 82 7.691 -8.153 -5.012 576 2HB GLN 82 HB1 GLN 82 8.761 -8.933 -6.166 577 1HG GLN 82 HG2 GLN 82 10.569 -8.158 -4.349 578 2HG GLN 82 HG1 GLN 82 9.159 -8.338 -3.307 579 1HE2 GLN 82 HE21 GLN 82 10.357 -10.063 -2.297 580 2HE2 GLN 82 HE22 GLN 82 10.368 -11.634 -3.017 581 H GLN 83 HN GLN 83 6.917 -5.463 -5.854 582 HA GLN 83 HA GLN 83 5.760 -6.236 -8.329 583 1HB GLN 83 HB2 GLN 83 5.026 -3.735 -6.824 584 2HB GLN 83 HB1 GLN 83 4.001 -4.745 -7.830 585 1HG GLN 83 HG2 GLN 83 5.042 -5.330 -5.076 586 2HG GLN 83 HG1 GLN 83 3.371 -5.122 -5.585 587 1HE2 GLN 83 HE21 GLN 83 3.945 -7.283 -4.131 588 2HE2 GLN 83 HE22 GLN 83 3.935 -8.714 -5.100 589 H ARG 84 HN ARG 84 6.557 -5.707 -10.243 590 HA ARG 84 HA ARG 84 7.836 -3.085 -10.605 591 1HB ARG 84 HB2 ARG 84 8.365 -5.770 -11.590 592 2HB ARG 84 HB1 ARG 84 8.300 -4.594 -12.894 593 1HG ARG 84 HG2 ARG 84 10.097 -3.370 -12.044 594 2HG ARG 84 HG1 ARG 84 9.955 -4.103 -10.444 595 1HD ARG 84 HD2 ARG 84 10.443 -6.014 -12.614 596 2HD ARG 84 HD1 ARG 84 11.744 -4.850 -12.368 597 HE ARG 84 HE ARG 84 10.983 -7.001 -10.619 598 1HH1 ARG 84 HH11 ARG 84 12.558 -3.877 -10.786 599 2HH1 ARG 84 HH12 ARG 84 13.523 -4.151 -9.375 600 1HH2 ARG 84 HH21 ARG 84 12.257 -7.357 -8.760 601 2HH2 ARG 84 HH22 ARG 84 13.354 -6.127 -8.224 602 H GLY 85 HN GLY 85 7.318 -1.767 -12.376 603 1HA GLY 85 HA2 GLY 85 5.939 -0.770 -13.914 604 2HA GLY 85 HA1 GLY 85 5.466 -2.394 -14.392 605 H GLU 86 HN GLU 86 3.494 -3.153 -13.834 606 HA GLU 86 HA GLU 86 1.687 -1.269 -12.543 607 1HB GLU 86 HB2 GLU 86 -0.083 -2.924 -13.243 608 2HB GLU 86 HB1 GLU 86 0.813 -2.184 -14.561 609 1HG GLU 86 HG2 GLU 86 1.922 -4.136 -15.080 610 2HG GLU 86 HG1 GLU 86 1.690 -4.820 -13.473 611 H ILE 87 HN ILE 87 0.862 -1.499 -10.563 612 HA ILE 87 HA ILE 87 1.309 -4.042 -9.140 613 HB ILE 87 HB ILE 87 1.535 -1.356 -7.795 614 1HG1 ILE 87 HG12 ILE 87 3.813 -3.048 -8.857 615 2HG1 ILE 87 HG11 ILE 87 3.272 -1.529 -9.562 616 1HG2 ILE 87 HG21 ILE 87 2.894 -2.820 -6.192 617 2HG2 ILE 87 HG22 ILE 87 2.167 -4.186 -7.036 618 3HG2 ILE 87 HG23 ILE 87 1.142 -3.017 -6.205 619 1HD1 ILE 87 HD11 ILE 87 5.285 -1.297 -8.166 620 2HD1 ILE 87 HD12 ILE 87 4.350 -1.833 -6.770 621 3HD1 ILE 87 HD13 ILE 87 3.931 -0.327 -7.586 622 H GLU 88 HN GLU 88 -0.420 -4.797 -8.025 623 HA GLU 88 HA GLU 88 -2.870 -3.206 -8.087 624 1HB GLU 88 HB2 GLU 88 -2.241 -6.109 -7.815 625 2HB GLU 88 HB1 GLU 88 -3.740 -5.521 -7.110 626 1HG GLU 88 HG2 GLU 88 -4.533 -6.031 -9.155 627 2HG GLU 88 HG1 GLU 88 -3.958 -4.405 -9.520 628 H PHE 89 HN PHE 89 -3.550 -2.117 -6.362 629 HA PHE 89 HA PHE 89 -2.589 -2.959 -3.705 630 1HB PHE 89 HB2 PHE 89 -2.142 -0.531 -4.994 631 2HB PHE 89 HB1 PHE 89 -3.432 -0.178 -3.849 632 HD1 PHE 89 HD1 PHE 89 -3.074 -0.606 -1.428 633 HD2 PHE 89 HD2 PHE 89 0.076 -0.901 -4.274 634 HE1 PHE 89 HE1 PHE 89 -1.422 -0.455 0.389 635 HE2 PHE 89 HE2 PHE 89 1.733 -0.751 -2.463 636 HZ PHE 89 HZ PHE 89 0.985 -0.529 -0.127 637 H GLU 90 HN GLU 90 -4.059 -3.387 -2.186 638 HA GLU 90 HA GLU 90 -6.849 -2.563 -2.669 639 1HB GLU 90 HB2 GLU 90 -6.355 -5.032 -2.986 640 2HB GLU 90 HB1 GLU 90 -6.001 -5.099 -1.265 641 1HG GLU 90 HG2 GLU 90 -8.402 -3.975 -1.118 642 2HG GLU 90 HG1 GLU 90 -8.595 -4.797 -2.664 643 H VAL 91 HN VAL 91 -7.471 -1.120 -1.205 644 HA VAL 91 HA VAL 91 -6.689 -1.506 1.600 645 HB VAL 91 HB VAL 91 -6.498 1.031 1.779 646 1HG1 VAL 91 HG11 VAL 91 -4.561 -0.876 0.646 647 2HG1 VAL 91 HG12 VAL 91 -4.440 0.157 2.070 648 3HG1 VAL 91 HG13 VAL 91 -4.145 0.829 0.467 649 1HG2 VAL 91 HG21 VAL 91 -7.499 1.251 -0.609 650 2HG2 VAL 91 HG22 VAL 91 -5.840 0.974 -1.139 651 3HG2 VAL 91 HG23 VAL 91 -6.217 2.351 -0.105 652 H VAL 92 HN VAL 92 -8.007 0.016 3.066 653 HA VAL 92 HA VAL 92 -10.730 0.409 2.018 654 HB VAL 92 HB VAL 92 -10.170 -0.788 4.734 655 1HG1 VAL 92 HG11 VAL 92 -12.572 -1.352 4.656 656 2HG1 VAL 92 HG12 VAL 92 -12.705 -0.475 3.132 657 3HG1 VAL 92 HG13 VAL 92 -12.277 0.386 4.610 658 1HG2 VAL 92 HG21 VAL 92 -11.067 -2.907 3.710 659 2HG2 VAL 92 HG22 VAL 92 -9.455 -2.431 3.177 660 3HG2 VAL 92 HG23 VAL 92 -10.848 -2.146 2.134 661 H TYR 93 HN TYR 93 -11.875 2.135 2.887 662 HA TYR 93 HA TYR 93 -10.351 4.259 4.009 663 1HB TYR 93 HB2 TYR 93 -12.724 4.103 2.635 664 2HB TYR 93 HB1 TYR 93 -13.275 4.482 4.262 665 HD1 TYR 93 HD1 TYR 93 -11.050 6.254 5.183 666 HD2 TYR 93 HD2 TYR 93 -13.109 6.087 1.459 667 HE1 TYR 93 HE1 TYR 93 -10.549 8.629 4.802 668 HE2 TYR 93 HE2 TYR 93 -12.611 8.461 1.072 669 HH TYR 93 HH TYR 93 -10.664 10.103 1.957 670 H VAL 94 HN VAL 94 -9.919 4.719 6.075 671 HA VAL 94 HA VAL 94 -11.488 3.347 8.164 672 HB VAL 94 HB VAL 94 -8.659 4.376 8.439 673 1HG1 VAL 94 HG11 VAL 94 -10.105 2.380 10.164 674 2HG1 VAL 94 HG12 VAL 94 -10.126 4.114 10.489 675 3HG1 VAL 94 HG13 VAL 94 -8.599 3.232 10.503 676 1HG2 VAL 94 HG21 VAL 94 -9.701 1.812 7.393 677 2HG2 VAL 94 HG22 VAL 94 -8.357 1.714 8.531 678 3HG2 VAL 94 HG23 VAL 94 -8.188 2.650 7.047 679 H ALA 95 HN ALA 95 -12.781 4.642 9.301 680 HA ALA 95 HA ALA 95 -11.843 7.215 10.227 681 1HB ALA 95 HB1 ALA 95 -14.172 8.153 9.323 682 2HB ALA 95 HB2 ALA 95 -13.853 6.956 8.068 683 3HB ALA 95 HB3 ALA 95 -12.683 8.238 8.384 Start of MODEL 4 1 HT1 PRO 9 HT2 PRO 9 -16.255 -0.035 3.386 2 HT2 PRO 9 HT1 PRO 9 -14.832 0.791 3.387 3 HA PRO 9 HA PRO 9 -16.540 0.083 1.329 4 1HB PRO 9 HB2 PRO 9 -15.423 2.516 0.406 5 2HB PRO 9 HB1 PRO 9 -17.136 2.124 0.604 6 1HG PRO 9 HG2 PRO 9 -15.297 3.557 2.446 7 2HG PRO 9 HG1 PRO 9 -17.039 3.773 2.198 8 1HD PRO 9 HD2 PRO 9 -16.119 2.562 4.389 9 2HD PRO 9 HD1 PRO 9 -17.584 1.973 3.581 10 H ILE 10 HN ILE 10 -15.123 -1.454 0.703 11 HA ILE 10 HA ILE 10 -12.268 -0.891 0.650 12 HB ILE 10 HB ILE 10 -13.015 -3.063 1.516 13 1HG1 ILE 10 HG12 ILE 10 -11.620 -3.734 -1.043 14 2HG1 ILE 10 HG11 ILE 10 -10.838 -2.626 0.079 15 1HG2 ILE 10 HG21 ILE 10 -14.857 -3.057 -0.476 16 2HG2 ILE 10 HG22 ILE 10 -14.401 -4.478 0.463 17 3HG2 ILE 10 HG23 ILE 10 -13.665 -4.188 -1.113 18 1HD1 ILE 10 HD11 ILE 10 -10.224 -5.069 0.264 19 2HD1 ILE 10 HD12 ILE 10 -11.838 -5.323 0.926 20 3HD1 ILE 10 HD13 ILE 10 -10.700 -4.261 1.757 21 H ARG 11 HN ARG 11 -11.199 -0.244 -1.090 22 HA ARG 11 HA ARG 11 -12.405 -0.688 -3.742 23 1HB ARG 11 HB2 ARG 11 -12.281 1.743 -2.652 24 2HB ARG 11 HB1 ARG 11 -10.648 1.678 -3.301 25 1HG ARG 11 HG2 ARG 11 -11.834 2.674 -5.009 26 2HG ARG 11 HG1 ARG 11 -11.802 0.981 -5.506 27 1HD ARG 11 HD2 ARG 11 -14.043 0.656 -4.610 28 2HD ARG 11 HD1 ARG 11 -14.072 2.326 -4.043 29 HE ARG 11 HE ARG 11 -13.602 2.086 -6.866 30 1HH1 ARG 11 HH11 ARG 11 -16.079 2.227 -4.394 31 2HH1 ARG 11 HH12 ARG 11 -17.296 2.816 -5.475 32 1HH2 ARG 11 HH21 ARG 11 -15.210 2.859 -8.284 33 2HH2 ARG 11 HH22 ARG 11 -16.803 3.174 -7.684 34 H LYS 12 HN LYS 12 -10.946 -0.920 -5.505 35 HA LYS 12 HA LYS 12 -8.251 -1.808 -4.702 36 1HB LYS 12 HB2 LYS 12 -10.123 -2.837 -6.833 37 2HB LYS 12 HB1 LYS 12 -8.408 -3.218 -6.835 38 1HG LYS 12 HG2 LYS 12 -9.326 -5.048 -5.779 39 2HG LYS 12 HG1 LYS 12 -8.828 -4.040 -4.420 40 1HD LYS 12 HD2 LYS 12 -11.019 -4.841 -3.939 41 2HD LYS 12 HD1 LYS 12 -11.169 -3.134 -4.355 42 1HE LYS 12 HE2 LYS 12 -11.421 -5.019 -6.606 43 2HE LYS 12 HE1 LYS 12 -12.705 -5.103 -5.402 44 1HZ LYS 12 HZ1 LYS 12 -12.531 -2.468 -5.766 45 2HZ LYS 12 HZ2 LYS 12 -13.572 -3.463 -6.650 46 3HZ LYS 12 HZ3 LYS 12 -12.085 -3.003 -7.308 47 H VAL 13 HN VAL 13 -6.650 -0.560 -5.418 48 HA VAL 13 HA VAL 13 -6.987 0.848 -7.987 49 HB VAL 13 HB VAL 13 -5.545 2.687 -6.970 50 1HG1 VAL 13 HG11 VAL 13 -7.413 3.913 -6.644 51 2HG1 VAL 13 HG12 VAL 13 -8.111 2.749 -5.518 52 3HG1 VAL 13 HG13 VAL 13 -8.212 2.464 -7.255 53 1HG2 VAL 13 HG21 VAL 13 -4.765 1.611 -4.982 54 2HG2 VAL 13 HG22 VAL 13 -6.414 1.301 -4.438 55 3HG2 VAL 13 HG23 VAL 13 -5.802 2.954 -4.501 56 H LEU 14 HN LEU 14 -5.290 0.766 -9.372 57 HA LEU 14 HA LEU 14 -2.928 -0.723 -8.473 58 1HB LEU 14 HB2 LEU 14 -2.466 -1.127 -10.840 59 2HB LEU 14 HB1 LEU 14 -4.058 -1.696 -10.380 60 HG LEU 14 HG LEU 14 -3.961 1.031 -11.515 61 1HD1 LEU 14 HD11 LEU 14 -3.880 -1.140 -13.524 62 2HD1 LEU 14 HD12 LEU 14 -2.346 -0.654 -12.802 63 3HD1 LEU 14 HD13 LEU 14 -3.344 0.536 -13.638 64 1HD2 LEU 14 HD21 LEU 14 -5.718 -1.088 -12.575 65 2HD2 LEU 14 HD22 LEU 14 -6.090 0.572 -12.110 66 3HD2 LEU 14 HD23 LEU 14 -5.937 -0.676 -10.874 67 H LEU 15 HN LEU 15 -0.909 0.099 -8.527 68 HA LEU 15 HA LEU 15 -0.628 2.912 -9.366 69 1HB LEU 15 HB2 LEU 15 0.416 1.375 -7.045 70 2HB LEU 15 HB1 LEU 15 1.475 2.589 -7.738 71 HG LEU 15 HG LEU 15 -0.531 4.198 -7.468 72 1HD1 LEU 15 HD11 LEU 15 -1.966 2.071 -6.838 73 2HD1 LEU 15 HD12 LEU 15 -2.280 3.647 -6.112 74 3HD1 LEU 15 HD13 LEU 15 -1.357 2.435 -5.223 75 1HD2 LEU 15 HD21 LEU 15 0.449 3.415 -4.792 76 2HD2 LEU 15 HD22 LEU 15 0.459 4.986 -5.592 77 3HD2 LEU 15 HD23 LEU 15 1.675 3.777 -6.006 78 H LEU 16 HN LEU 16 0.666 3.299 -11.032 79 HA LEU 16 HA LEU 16 2.503 1.183 -11.913 80 1HB LEU 16 HB2 LEU 16 0.624 2.448 -13.354 81 2HB LEU 16 HB1 LEU 16 1.964 3.546 -13.627 82 HG LEU 16 HG LEU 16 2.008 0.585 -14.224 83 1HD1 LEU 16 HD11 LEU 16 1.406 1.004 -16.359 84 2HD1 LEU 16 HD12 LEU 16 2.164 2.596 -16.380 85 3HD1 LEU 16 HD13 LEU 16 0.589 2.380 -15.617 86 1HD2 LEU 16 HD21 LEU 16 4.225 1.105 -13.888 87 2HD2 LEU 16 HD22 LEU 16 4.029 2.772 -14.429 88 3HD2 LEU 16 HD23 LEU 16 4.046 1.460 -15.606 89 H LYS 17 HN LYS 17 4.556 1.428 -11.341 90 HA LYS 17 HA LYS 17 5.705 4.137 -11.359 91 1HB LYS 17 HB2 LYS 17 7.133 3.447 -9.423 92 2HB LYS 17 HB1 LYS 17 5.423 3.591 -9.044 93 1HG LYS 17 HG2 LYS 17 5.139 1.264 -8.930 94 2HG LYS 17 HG1 LYS 17 6.679 0.955 -9.733 95 1HD LYS 17 HD2 LYS 17 7.480 2.395 -7.566 96 2HD LYS 17 HD1 LYS 17 6.098 1.517 -6.909 97 1HE LYS 17 HE2 LYS 17 8.127 0.243 -6.563 98 2HE LYS 17 HE1 LYS 17 7.084 -0.592 -7.714 99 1HZ LYS 17 HZ1 LYS 17 9.155 1.228 -8.732 100 2HZ LYS 17 HZ2 LYS 17 8.494 -0.156 -9.446 101 3HZ LYS 17 HZ3 LYS 17 9.615 -0.308 -8.189 102 H GLU 18 HN GLU 18 7.604 4.359 -12.388 103 HA GLU 18 HA GLU 18 8.704 2.018 -13.728 104 1HB GLU 18 HB2 GLU 18 9.047 4.986 -14.062 105 2HB GLU 18 HB1 GLU 18 10.175 3.865 -14.809 106 1HG GLU 18 HG2 GLU 18 8.221 2.770 -15.918 107 2HG GLU 18 HG1 GLU 18 7.220 4.084 -15.302 108 H ASP 19 HN ASP 19 11.199 2.084 -13.988 109 HA ASP 19 HA ASP 19 12.383 1.518 -11.527 110 1HB ASP 19 HB2 ASP 19 13.466 2.043 -14.274 111 2HB ASP 19 HB1 ASP 19 14.579 1.889 -12.919 112 H HIS 20 HN HIS 20 12.324 4.510 -13.400 113 HA HIS 20 HA HIS 20 14.188 5.878 -11.714 114 1HB HIS 20 HB2 HIS 20 13.609 7.870 -12.982 115 2HB HIS 20 HB1 HIS 20 13.855 6.515 -14.076 116 HD1 HIS 20 HD1 HIS 20 11.312 8.958 -12.938 117 HD2 HIS 20 HD2 HIS 20 11.488 5.585 -15.358 118 HE1 HIS 20 HE1 HIS 20 9.178 8.974 -14.269 119 HE2 HIS 20 HE2 HIS 20 9.263 6.871 -15.654 120 H GLU 21 HN GLU 21 10.705 5.468 -11.747 121 HA GLU 21 HA GLU 21 10.193 7.567 -9.843 122 1HB GLU 21 HB2 GLU 21 8.399 5.311 -10.767 123 2HB GLU 21 HB1 GLU 21 7.893 6.708 -9.830 124 1HG GLU 21 HG2 GLU 21 8.876 8.050 -11.837 125 2HG GLU 21 HG1 GLU 21 8.661 6.529 -12.700 126 H GLY 22 HN GLY 22 8.660 6.786 -7.902 127 1HA GLY 22 HA2 GLY 22 9.988 4.526 -6.548 128 2HA GLY 22 HA1 GLY 22 9.809 6.074 -5.738 129 H LEU 23 HN LEU 23 8.514 5.417 -4.075 130 HA LEU 23 HA LEU 23 6.149 3.827 -4.545 131 1HB LEU 23 HB2 LEU 23 7.789 4.336 -2.344 132 2HB LEU 23 HB1 LEU 23 6.265 5.100 -1.937 133 HG LEU 23 HG LEU 23 6.064 2.347 -2.994 134 1HD1 LEU 23 HD11 LEU 23 8.086 2.240 -1.562 135 2HD1 LEU 23 HD12 LEU 23 6.737 1.282 -0.952 136 3HD1 LEU 23 HD13 LEU 23 7.118 2.838 -0.215 137 1HD2 LEU 23 HD21 LEU 23 4.117 3.616 -2.228 138 2HD2 LEU 23 HD22 LEU 23 4.842 3.764 -0.627 139 3HD2 LEU 23 HD23 LEU 23 4.378 2.178 -1.242 140 H GLY 24 HN GLY 24 6.537 7.005 -2.930 141 1HA GLY 24 HA2 GLY 24 5.355 8.962 -3.684 142 2HA GLY 24 HA1 GLY 24 4.122 7.912 -4.356 143 H ILE 25 HN ILE 25 4.435 6.379 -1.617 144 HA ILE 25 HA ILE 25 3.026 8.293 0.095 145 HB ILE 25 HB ILE 25 1.329 6.550 0.679 146 1HG1 ILE 25 HG12 ILE 25 1.120 4.986 -1.558 147 2HG1 ILE 25 HG11 ILE 25 2.865 5.062 -1.346 148 1HG2 ILE 25 HG21 ILE 25 0.239 8.047 -0.583 149 2HG2 ILE 25 HG22 ILE 25 0.272 6.778 -1.805 150 3HG2 ILE 25 HG23 ILE 25 1.482 8.058 -1.831 151 1HD1 ILE 25 HD11 ILE 25 2.823 3.860 0.571 152 2HD1 ILE 25 HD12 ILE 25 1.370 3.212 -0.190 153 3HD1 ILE 25 HD13 ILE 25 1.235 4.462 1.046 154 H SER 26 HN SER 26 2.879 7.621 2.337 155 HA SER 26 HA SER 26 5.018 5.729 3.077 156 1HB SER 26 HB2 SER 26 5.247 8.256 3.619 157 2HB SER 26 HB1 SER 26 4.048 7.942 4.873 158 HG SER 26 HG SER 26 5.485 6.844 5.988 159 H ILE 27 HN ILE 27 4.596 4.131 4.523 160 HA ILE 27 HA ILE 27 1.844 3.976 5.574 161 HB ILE 27 HB ILE 27 2.171 1.489 5.587 162 1HG1 ILE 27 HG12 ILE 27 4.447 1.991 3.674 163 2HG1 ILE 27 HG11 ILE 27 4.723 1.724 5.392 164 1HG2 ILE 27 HG21 ILE 27 2.114 1.415 2.943 165 2HG2 ILE 27 HG22 ILE 27 1.979 3.162 3.142 166 3HG2 ILE 27 HG23 ILE 27 0.787 2.095 3.883 167 1HD1 ILE 27 HD11 ILE 27 4.952 -0.281 3.883 168 2HD1 ILE 27 HD12 ILE 27 3.201 -0.215 3.684 169 3HD1 ILE 27 HD13 ILE 27 3.897 -0.475 5.283 170 H THR 28 HN THR 28 1.518 3.058 7.643 171 HA THR 28 HA THR 28 3.876 2.625 9.310 172 HB THR 28 HB THR 28 3.430 4.996 9.584 173 HG1 THR 28 HG1 THR 28 3.369 4.991 11.759 174 1HG2 THR 28 HG21 THR 28 1.405 5.929 10.334 175 2HG2 THR 28 HG22 THR 28 0.690 4.341 10.618 176 3HG2 THR 28 HG23 THR 28 0.994 4.890 8.970 177 H GLY 29 HN GLY 29 3.540 1.301 11.087 178 1HA GLY 29 HA2 GLY 29 1.742 0.400 12.629 179 2HA GLY 29 HA1 GLY 29 0.907 -0.040 11.146 180 H GLY 30 HN GLY 30 1.066 -2.173 12.437 181 1HA GLY 30 HA2 GLY 30 2.856 -3.882 11.092 182 2HA GLY 30 HA1 GLY 30 3.499 -3.552 12.691 183 H LYS 31 HN LYS 31 1.646 -5.644 10.939 184 HA LYS 31 HA LYS 31 -0.534 -6.310 12.499 185 1HB LYS 31 HB2 LYS 31 0.304 -7.274 10.232 186 2HB LYS 31 HB1 LYS 31 1.132 -8.458 11.234 187 1HG LYS 31 HG2 LYS 31 -0.892 -9.463 10.643 188 2HG LYS 31 HG1 LYS 31 -1.124 -8.913 12.303 189 1HD LYS 31 HD2 LYS 31 -2.098 -6.779 11.207 190 2HD LYS 31 HD1 LYS 31 -2.239 -7.783 9.760 191 1HE LYS 31 HE2 LYS 31 -3.725 -9.272 10.807 192 2HE LYS 31 HE1 LYS 31 -3.334 -8.662 12.415 193 1HZ LYS 31 HZ1 LYS 31 -4.626 -6.954 10.371 194 2HZ LYS 31 HZ2 LYS 31 -4.554 -6.719 12.045 195 3HZ LYS 31 HZ3 LYS 31 -5.528 -7.944 11.405 196 H GLU 32 HN GLU 32 2.848 -7.228 12.965 197 HA GLU 32 HA GLU 32 2.499 -9.170 14.955 198 1HB GLU 32 HB2 GLU 32 4.632 -8.803 13.808 199 2HB GLU 32 HB1 GLU 32 4.786 -7.227 14.570 200 1HG GLU 32 HG2 GLU 32 4.822 -8.381 16.780 201 2HG GLU 32 HG1 GLU 32 4.863 -9.917 15.917 202 H HIS 33 HN HIS 33 2.438 -5.670 15.114 203 HA HIS 33 HA HIS 33 2.629 -5.474 17.957 204 1HB HIS 33 HB2 HIS 33 3.245 -3.586 16.549 205 2HB HIS 33 HB1 HIS 33 1.619 -3.513 15.881 206 HD1 HIS 33 HD1 HIS 33 3.464 -2.911 19.131 207 HD2 HIS 33 HD2 HIS 33 -0.145 -1.979 17.295 208 HE1 HIS 33 HE1 HIS 33 2.368 -1.215 20.630 209 HE2 HIS 33 HE2 HIS 33 0.200 -0.637 19.482 210 H GLY 34 HN GLY 34 -0.002 -5.894 15.670 211 1HA GLY 34 HA2 GLY 34 -1.892 -7.120 16.914 212 2HA GLY 34 HA1 GLY 34 -1.963 -5.640 17.856 213 H VAL 35 HN VAL 35 -1.300 -4.092 15.314 214 HA VAL 35 HA VAL 35 -3.969 -4.268 14.071 215 HB VAL 35 HB VAL 35 -3.848 -1.815 13.704 216 1HG1 VAL 35 HG11 VAL 35 -3.943 -1.326 16.324 217 2HG1 VAL 35 HG12 VAL 35 -4.008 -3.087 16.372 218 3HG1 VAL 35 HG13 VAL 35 -5.224 -2.184 15.469 219 1HG2 VAL 35 HG21 VAL 35 -1.540 -1.324 13.779 220 2HG2 VAL 35 HG22 VAL 35 -1.349 -2.087 15.357 221 3HG2 VAL 35 HG23 VAL 35 -2.229 -0.566 15.215 222 HA PRO 36 HA PRO 36 -1.917 -4.648 10.170 223 1HB PRO 36 HB2 PRO 36 -3.750 -3.489 8.522 224 2HB PRO 36 HB1 PRO 36 -3.952 -5.099 9.220 225 1HG PRO 36 HG2 PRO 36 -5.128 -2.493 10.094 226 2HG PRO 36 HG1 PRO 36 -5.884 -4.094 10.013 227 1HD PRO 36 HD2 PRO 36 -4.986 -3.005 12.329 228 2HD PRO 36 HD1 PRO 36 -4.992 -4.754 12.028 229 H ILE 37 HN ILE 37 -0.852 -3.444 8.507 230 HA ILE 37 HA ILE 37 -0.075 -0.795 9.368 231 HB ILE 37 HB ILE 37 0.826 -2.216 6.861 232 1HG1 ILE 37 HG12 ILE 37 2.872 -2.562 8.628 233 2HG1 ILE 37 HG11 ILE 37 1.483 -2.723 9.696 234 1HG2 ILE 37 HG21 ILE 37 1.262 0.269 7.224 235 2HG2 ILE 37 HG22 ILE 37 2.654 -0.747 6.853 236 3HG2 ILE 37 HG23 ILE 37 2.357 -0.230 8.513 237 1HD1 ILE 37 HD11 ILE 37 2.585 -4.744 8.283 238 2HD1 ILE 37 HD12 ILE 37 1.289 -4.242 7.199 239 3HD1 ILE 37 HD13 ILE 37 0.919 -4.718 8.856 240 H LEU 38 HN LEU 38 -0.790 1.095 8.561 241 HA LEU 38 HA LEU 38 -2.311 1.046 6.040 242 1HB LEU 38 HB2 LEU 38 -3.824 2.771 7.034 243 2HB LEU 38 HB1 LEU 38 -3.966 1.172 7.735 244 HG LEU 38 HG LEU 38 -2.131 3.039 9.118 245 1HD1 LEU 38 HD11 LEU 38 -3.794 4.642 8.751 246 2HD1 LEU 38 HD12 LEU 38 -4.170 3.976 10.340 247 3HD1 LEU 38 HD13 LEU 38 -5.094 3.464 8.927 248 1HD2 LEU 38 HD21 LEU 38 -4.123 0.923 9.868 249 2HD2 LEU 38 HD22 LEU 38 -3.436 2.014 11.070 250 3HD2 LEU 38 HD23 LEU 38 -2.381 0.952 10.141 251 H ILE 39 HN ILE 39 -2.524 3.173 4.991 252 HA ILE 39 HA ILE 39 0.020 4.552 4.989 253 HB ILE 39 HB ILE 39 -2.418 5.211 3.330 254 1HG1 ILE 39 HG12 ILE 39 -0.129 3.378 2.579 255 2HG1 ILE 39 HG11 ILE 39 -1.716 2.814 3.091 256 1HG2 ILE 39 HG21 ILE 39 0.401 5.624 2.451 257 2HG2 ILE 39 HG22 ILE 39 -0.318 6.762 3.589 258 3HG2 ILE 39 HG23 ILE 39 -1.060 6.508 2.011 259 1HD1 ILE 39 HD11 ILE 39 -1.130 4.479 0.655 260 2HD1 ILE 39 HD12 ILE 39 -2.725 3.929 1.166 261 3HD1 ILE 39 HD13 ILE 39 -1.503 2.755 0.680 262 H SER 40 HN SER 40 0.458 6.334 6.100 263 HA SER 40 HA SER 40 -1.779 7.908 7.188 264 1HB SER 40 HB2 SER 40 0.954 7.259 8.191 265 2HB SER 40 HB1 SER 40 0.247 8.808 8.652 266 HG SER 40 HG SER 40 -0.979 6.270 9.012 267 H GLU 41 HN GLU 41 1.139 8.111 5.234 268 HA GLU 41 HA GLU 41 0.523 10.952 4.750 269 1HB GLU 41 HB2 GLU 41 2.787 10.117 5.957 270 2HB GLU 41 HB1 GLU 41 3.298 10.034 4.277 271 1HG GLU 41 HG2 GLU 41 2.915 12.341 3.945 272 2HG GLU 41 HG1 GLU 41 2.040 12.488 5.469 273 H ILE 42 HN ILE 42 0.656 11.713 2.659 274 HA ILE 42 HA ILE 42 1.192 9.740 0.542 275 HB ILE 42 HB ILE 42 -1.071 11.741 0.429 276 1HG1 ILE 42 HG12 ILE 42 -1.197 8.764 0.976 277 2HG1 ILE 42 HG11 ILE 42 -1.532 10.037 2.146 278 1HG2 ILE 42 HG21 ILE 42 0.225 10.543 -1.628 279 2HG2 ILE 42 HG22 ILE 42 -1.462 11.053 -1.677 280 3HG2 ILE 42 HG23 ILE 42 -1.060 9.375 -1.316 281 1HD1 ILE 42 HD11 ILE 42 -3.411 8.768 0.695 282 2HD1 ILE 42 HD12 ILE 42 -3.105 10.172 -0.326 283 3HD1 ILE 42 HD13 ILE 42 -3.595 10.393 1.353 284 H HIS 43 HN HIS 43 2.865 10.470 -0.598 285 HA HIS 43 HA HIS 43 3.497 13.297 -0.678 286 1HB HIS 43 HB2 HIS 43 4.960 11.099 -2.139 287 2HB HIS 43 HB1 HIS 43 5.577 12.670 -1.642 288 HD1 HIS 43 HD1 HIS 43 5.627 12.959 1.121 289 HD2 HIS 43 HD2 HIS 43 5.631 9.104 -0.432 290 HE1 HIS 43 HE1 HIS 43 6.470 11.488 2.977 291 HE2 HIS 43 HE2 HIS 43 6.571 9.178 1.977 292 HA PRO 44 HA PRO 44 1.044 13.804 -4.424 293 1HB PRO 44 HB2 PRO 44 2.304 16.482 -4.377 294 2HB PRO 44 HB1 PRO 44 0.594 16.043 -4.409 295 1HG PRO 44 HG2 PRO 44 1.720 17.014 -2.195 296 2HG PRO 44 HG1 PRO 44 0.496 15.732 -2.115 297 1HD PRO 44 HD2 PRO 44 3.476 15.526 -1.871 298 2HD PRO 44 HD1 PRO 44 2.209 14.707 -0.933 299 H GLY 45 HN GLY 45 1.510 14.792 -6.645 300 1HA GLY 45 HA2 GLY 45 2.750 14.817 -8.580 301 2HA GLY 45 HA1 GLY 45 4.163 15.103 -7.576 302 H GLN 46 HN GLN 46 2.043 12.311 -7.342 303 HA GLN 46 HA GLN 46 4.020 10.605 -8.652 304 1HB GLN 46 HB2 GLN 46 3.716 10.808 -5.820 305 2HB GLN 46 HB1 GLN 46 3.110 9.235 -6.318 306 1HG GLN 46 HG2 GLN 46 5.181 8.483 -6.442 307 2HG GLN 46 HG1 GLN 46 5.533 9.668 -7.699 308 1HE2 GLN 46 HE21 GLN 46 5.366 12.018 -6.238 309 2HE2 GLN 46 HE22 GLN 46 6.648 12.054 -5.082 310 HA PRO 47 HA PRO 47 0.752 8.100 -10.265 311 1HB PRO 47 HB2 PRO 47 1.443 5.867 -8.408 312 2HB PRO 47 HB1 PRO 47 1.228 5.847 -10.163 313 1HG PRO 47 HG2 PRO 47 3.661 5.772 -9.109 314 2HG PRO 47 HG1 PRO 47 3.336 6.738 -10.561 315 1HD PRO 47 HD2 PRO 47 3.722 7.627 -7.737 316 2HD PRO 47 HD1 PRO 47 4.221 8.417 -9.247 317 H ALA 48 HN ALA 48 1.005 8.064 -6.737 318 HA ALA 48 HA ALA 48 -1.535 7.067 -6.114 319 1HB ALA 48 HB1 ALA 48 -1.245 8.150 -3.939 320 2HB ALA 48 HB2 ALA 48 0.108 9.082 -4.580 321 3HB ALA 48 HB3 ALA 48 0.230 7.327 -4.447 322 H ASP 49 HN ASP 49 -0.450 10.417 -6.632 323 HA ASP 49 HA ASP 49 -3.008 11.583 -6.175 324 1HB ASP 49 HB2 ASP 49 -0.497 12.594 -6.330 325 2HB ASP 49 HB1 ASP 49 -1.103 13.029 -7.925 326 H ARG 50 HN ARG 50 -1.279 10.483 -9.047 327 HA ARG 50 HA ARG 50 -3.054 11.521 -10.980 328 1HB ARG 50 HB2 ARG 50 -1.368 9.023 -11.216 329 2HB ARG 50 HB1 ARG 50 -2.011 9.987 -12.538 330 1HG ARG 50 HG2 ARG 50 -0.287 11.408 -10.608 331 2HG ARG 50 HG1 ARG 50 0.498 10.197 -11.625 332 1HD ARG 50 HD2 ARG 50 -1.124 11.592 -13.383 333 2HD ARG 50 HD1 ARG 50 -0.503 12.840 -12.305 334 HE ARG 50 HE ARG 50 1.580 12.547 -13.206 335 1HH1 ARG 50 HH11 ARG 50 -0.437 9.843 -14.151 336 2HH1 ARG 50 HH12 ARG 50 0.721 9.211 -15.272 337 1HH2 ARG 50 HH21 ARG 50 3.105 11.707 -14.679 338 2HH2 ARG 50 HH22 ARG 50 2.735 10.270 -15.572 339 H CYS 51 HN CYS 51 -3.135 8.589 -9.032 340 HA CYS 51 HA CYS 51 -5.190 7.306 -10.550 341 1HB CYS 51 HB2 CYS 51 -3.434 6.424 -8.696 342 2HB CYS 51 HB1 CYS 51 -4.869 6.600 -7.690 343 HG CYS 51 HG CYS 51 -5.615 4.458 -8.579 344 H GLY 52 HN GLY 52 -5.150 9.615 -7.923 345 1HA GLY 52 HA2 GLY 52 -6.842 10.814 -6.939 346 2HA GLY 52 HA1 GLY 52 -7.871 10.293 -8.261 347 H GLY 53 HN GLY 53 -6.427 7.753 -6.459 348 1HA GLY 53 HA2 GLY 53 -8.971 7.336 -5.014 349 2HA GLY 53 HA1 GLY 53 -8.031 6.031 -5.717 350 H LEU 54 HN LEU 54 -5.452 7.086 -4.829 351 HA LEU 54 HA LEU 54 -5.382 5.863 -2.270 352 1HB LEU 54 HB2 LEU 54 -3.521 6.314 -4.154 353 2HB LEU 54 HB1 LEU 54 -3.151 7.645 -3.073 354 HG LEU 54 HG LEU 54 -3.360 4.826 -2.054 355 1HD1 LEU 54 HD11 LEU 54 -1.740 4.728 -3.834 356 2HD1 LEU 54 HD12 LEU 54 -0.902 4.687 -2.282 357 3HD1 LEU 54 HD13 LEU 54 -0.934 6.174 -3.228 358 1HD2 LEU 54 HD21 LEU 54 -1.477 6.786 -0.926 359 2HD2 LEU 54 HD22 LEU 54 -2.549 5.643 -0.120 360 3HD2 LEU 54 HD23 LEU 54 -3.186 7.170 -0.728 361 H HIS 55 HN HIS 55 -6.393 6.778 -0.604 362 HA HIS 55 HA HIS 55 -5.958 9.649 -0.097 363 1HB HIS 55 HB2 HIS 55 -8.085 9.571 1.197 364 2HB HIS 55 HB1 HIS 55 -8.302 9.195 -0.509 365 HD1 HIS 55 HD1 HIS 55 -7.736 7.207 2.700 366 HD2 HIS 55 HD2 HIS 55 -9.881 7.022 -0.855 367 HE1 HIS 55 HE1 HIS 55 -9.077 5.090 2.832 368 HE2 HIS 55 HE2 HIS 55 -10.417 5.031 0.701 369 H VAL 56 HN VAL 56 -5.798 10.318 2.147 370 HA VAL 56 HA VAL 56 -3.968 8.764 3.618 371 HB VAL 56 HB VAL 56 -4.093 11.215 3.798 372 1HG1 VAL 56 HG11 VAL 56 -6.421 11.657 3.770 373 2HG1 VAL 56 HG12 VAL 56 -5.818 12.190 5.339 374 3HG1 VAL 56 HG13 VAL 56 -6.693 10.666 5.202 375 1HG2 VAL 56 HG21 VAL 56 -4.592 10.096 6.533 376 2HG2 VAL 56 HG22 VAL 56 -3.448 11.343 6.035 377 3HG2 VAL 56 HG23 VAL 56 -3.153 9.657 5.611 378 H GLY 57 HN GLY 57 -4.171 7.439 5.374 379 1HA GLY 57 HA2 GLY 57 -5.217 6.260 7.084 380 2HA GLY 57 HA1 GLY 57 -6.714 7.104 6.717 381 H ASP 58 HN ASP 58 -4.578 5.032 4.758 382 HA ASP 58 HA ASP 58 -6.930 3.379 4.109 383 1HB ASP 58 HB2 ASP 58 -4.859 4.572 2.472 384 2HB ASP 58 HB1 ASP 58 -4.897 2.827 2.251 385 H ALA 59 HN ALA 59 -6.929 1.314 4.769 386 HA ALA 59 HA ALA 59 -4.520 0.253 6.025 387 1HB ALA 59 HB1 ALA 59 -5.905 -1.376 7.038 388 2HB ALA 59 HB2 ALA 59 -7.213 -1.082 5.892 389 3HB ALA 59 HB3 ALA 59 -6.807 0.138 7.099 390 H ILE 60 HN ILE 60 -3.221 -1.207 5.112 391 HA ILE 60 HA ILE 60 -3.676 -2.037 2.413 392 HB ILE 60 HB ILE 60 -1.520 -3.048 4.265 393 1HG1 ILE 60 HG12 ILE 60 -1.100 -0.811 2.313 394 2HG1 ILE 60 HG11 ILE 60 -1.785 -0.454 3.893 395 1HG2 ILE 60 HG21 ILE 60 -1.594 -4.403 2.350 396 2HG2 ILE 60 HG22 ILE 60 -0.306 -3.241 2.032 397 3HG2 ILE 60 HG23 ILE 60 -1.889 -3.029 1.284 398 1HD1 ILE 60 HD11 ILE 60 0.545 -0.092 4.038 399 2HD1 ILE 60 HD12 ILE 60 0.902 -1.644 3.281 400 3HD1 ILE 60 HD13 ILE 60 0.209 -1.592 4.903 401 H LEU 61 HN LEU 61 -5.225 -3.496 2.049 402 HA LEU 61 HA LEU 61 -5.607 -5.764 3.821 403 1HB LEU 61 HB2 LEU 61 -7.039 -4.672 1.426 404 2HB LEU 61 HB1 LEU 61 -7.341 -6.319 1.941 405 HG LEU 61 HG LEU 61 -9.004 -4.677 2.777 406 1HD1 LEU 61 HD11 LEU 61 -9.339 -5.834 4.689 407 2HD1 LEU 61 HD12 LEU 61 -7.672 -5.644 5.231 408 3HD1 LEU 61 HD13 LEU 61 -8.069 -6.851 4.007 409 1HD2 LEU 61 HD21 LEU 61 -6.667 -3.614 4.354 410 2HD2 LEU 61 HD22 LEU 61 -8.357 -3.199 4.640 411 3HD2 LEU 61 HD23 LEU 61 -7.586 -2.756 3.117 412 H ALA 62 HN ALA 62 -4.788 -5.231 0.381 413 HA ALA 62 HA ALA 62 -3.100 -7.600 0.416 414 1HB ALA 62 HB1 ALA 62 -4.933 -7.540 -1.899 415 2HB ALA 62 HB2 ALA 62 -5.640 -8.017 -0.355 416 3HB ALA 62 HB3 ALA 62 -4.267 -8.909 -1.009 417 H VAL 63 HN VAL 63 -1.503 -7.616 -1.164 418 HA VAL 63 HA VAL 63 -1.386 -5.266 -2.942 419 HB VAL 63 HB VAL 63 1.018 -6.447 -1.542 420 1HG1 VAL 63 HG11 VAL 63 0.833 -3.742 -2.821 421 2HG1 VAL 63 HG12 VAL 63 1.204 -5.176 -3.777 422 3HG1 VAL 63 HG13 VAL 63 2.264 -4.702 -2.450 423 1HG2 VAL 63 HG21 VAL 63 0.807 -4.030 -0.418 424 2HG2 VAL 63 HG22 VAL 63 0.085 -5.477 0.283 425 3HG2 VAL 63 HG23 VAL 63 -0.905 -4.373 -0.671 426 H ASN 64 HN ASN 64 -1.410 -5.930 -4.979 427 HA ASN 64 HA ASN 64 -1.150 -7.173 -6.863 428 1HB ASN 64 HB2 ASN 64 1.336 -6.694 -5.925 429 2HB ASN 64 HB1 ASN 64 1.353 -8.453 -5.908 430 1HD2 ASN 64 HD21 ASN 64 2.243 -5.923 -7.698 431 2HD2 ASN 64 HD22 ASN 64 2.095 -6.586 -9.286 432 H GLY 65 HN GLY 65 -2.720 -8.364 -4.812 433 1HA GLY 65 HA2 GLY 65 -3.882 -10.391 -4.782 434 2HA GLY 65 HA1 GLY 65 -2.576 -11.132 -5.690 435 H VAL 66 HN VAL 66 -0.780 -9.780 -3.456 436 HA VAL 66 HA VAL 66 -0.739 -12.156 -1.793 437 HB VAL 66 HB VAL 66 1.067 -9.736 -1.630 438 1HG1 VAL 66 HG11 VAL 66 1.147 -12.487 -0.440 439 2HG1 VAL 66 HG12 VAL 66 1.338 -10.924 0.355 440 3HG1 VAL 66 HG13 VAL 66 2.623 -11.551 -0.677 441 1HG2 VAL 66 HG21 VAL 66 2.091 -12.194 -2.874 442 2HG2 VAL 66 HG22 VAL 66 2.339 -10.506 -3.319 443 3HG2 VAL 66 HG23 VAL 66 0.867 -11.340 -3.813 444 H ASN 67 HN ASN 67 -1.601 -12.320 0.170 445 HA ASN 67 HA ASN 67 -3.132 -10.191 1.289 446 1HB ASN 67 HB2 ASN 67 -2.697 -13.036 1.837 447 2HB ASN 67 HB1 ASN 67 -2.895 -12.079 3.300 448 1HD2 ASN 67 HD21 ASN 67 -4.874 -11.279 3.818 449 2HD2 ASN 67 HD22 ASN 67 -6.306 -11.595 2.903 450 H LEU 68 HN LEU 68 -2.744 -8.907 3.058 451 HA LEU 68 HA LEU 68 -0.012 -9.016 4.164 452 1HB LEU 68 HB2 LEU 68 -1.113 -6.953 2.753 453 2HB LEU 68 HB1 LEU 68 -1.456 -6.470 4.404 454 HG LEU 68 HG LEU 68 1.062 -6.929 4.825 455 1HD1 LEU 68 HD11 LEU 68 2.470 -6.536 2.846 456 2HD1 LEU 68 HD12 LEU 68 1.034 -6.619 1.827 457 3HD1 LEU 68 HD13 LEU 68 1.554 -8.039 2.733 458 1HD2 LEU 68 HD21 LEU 68 1.367 -4.698 4.755 459 2HD2 LEU 68 HD22 LEU 68 -0.359 -4.679 4.393 460 3HD2 LEU 68 HD23 LEU 68 0.818 -4.565 3.085 461 H ARG 69 HN ARG 69 -3.146 -9.674 4.973 462 HA ARG 69 HA ARG 69 -3.326 -8.466 7.544 463 1HB ARG 69 HB2 ARG 69 -5.000 -10.067 5.881 464 2HB ARG 69 HB1 ARG 69 -4.900 -10.839 7.458 465 1HG ARG 69 HG2 ARG 69 -5.334 -7.945 7.560 466 2HG ARG 69 HG1 ARG 69 -6.635 -8.856 6.794 467 1HD ARG 69 HD2 ARG 69 -5.616 -10.041 9.277 468 2HD ARG 69 HD1 ARG 69 -6.367 -8.459 9.478 469 HE ARG 69 HE ARG 69 -7.676 -10.932 8.839 470 1HH1 ARG 69 HH11 ARG 69 -7.901 -7.446 8.574 471 2HH1 ARG 69 HH12 ARG 69 -9.627 -7.443 8.439 472 1HH2 ARG 69 HH21 ARG 69 -9.951 -10.923 8.661 473 2HH2 ARG 69 HH22 ARG 69 -10.793 -9.419 8.488 474 H ASP 70 HN ASP 70 -2.054 -11.536 6.369 475 HA ASP 70 HA ASP 70 -1.464 -12.339 9.131 476 1HB ASP 70 HB2 ASP 70 -2.423 -13.792 6.962 477 2HB ASP 70 HB1 ASP 70 -0.734 -14.276 7.084 478 H THR 71 HN THR 71 0.039 -10.409 7.116 479 HA THR 71 HA THR 71 2.693 -11.639 7.443 480 HB THR 71 HB THR 71 3.471 -10.310 5.613 481 HG1 THR 71 HG1 THR 71 2.470 -8.578 4.896 482 1HG2 THR 71 HG21 THR 71 2.219 -11.063 3.780 483 2HG2 THR 71 HG22 THR 71 0.727 -11.119 4.721 484 3HG2 THR 71 HG23 THR 71 2.010 -12.288 5.031 485 H LYS 72 HN LYS 72 4.493 -10.090 7.875 486 HA LYS 72 HA LYS 72 3.682 -8.236 9.985 487 1HB LYS 72 HB2 LYS 72 6.142 -9.767 9.342 488 2HB LYS 72 HB1 LYS 72 6.373 -8.207 10.118 489 1HG LYS 72 HG2 LYS 72 6.307 -9.784 11.855 490 2HG LYS 72 HG1 LYS 72 4.736 -8.981 11.881 491 1HD LYS 72 HD2 LYS 72 4.262 -11.273 12.131 492 2HD LYS 72 HD1 LYS 72 3.901 -10.909 10.443 493 1HE LYS 72 HE2 LYS 72 6.189 -11.738 9.863 494 2HE LYS 72 HE1 LYS 72 6.367 -12.255 11.539 495 1HZ LYS 72 HZ1 LYS 72 3.989 -13.173 10.113 496 2HZ LYS 72 HZ2 LYS 72 4.947 -13.978 11.251 497 3HZ LYS 72 HZ3 LYS 72 5.468 -13.852 9.647 498 H HIS 73 HN HIS 73 4.804 -6.131 10.169 499 HA HIS 73 HA HIS 73 4.464 -4.527 7.927 500 1HB HIS 73 HB2 HIS 73 4.560 -3.634 10.218 501 2HB HIS 73 HB1 HIS 73 6.276 -4.013 10.299 502 HD1 HIS 73 HD1 HIS 73 7.396 -1.802 10.323 503 HD2 HIS 73 HD2 HIS 73 4.401 -1.991 7.449 504 HE1 HIS 73 HE1 HIS 73 7.535 0.370 9.064 505 HE2 HIS 73 HE2 HIS 73 5.642 0.277 7.403 506 H LYS 74 HN LYS 74 7.508 -5.837 9.251 507 HA LYS 74 HA LYS 74 9.234 -4.741 7.342 508 1HB LYS 74 HB2 LYS 74 9.705 -6.085 9.555 509 2HB LYS 74 HB1 LYS 74 9.753 -7.467 8.470 510 1HG LYS 74 HG2 LYS 74 11.845 -6.992 7.945 511 2HG LYS 74 HG1 LYS 74 11.343 -5.418 7.326 512 1HD LYS 74 HD2 LYS 74 11.635 -5.749 10.270 513 2HD LYS 74 HD1 LYS 74 13.100 -5.644 9.293 514 1HE LYS 74 HE2 LYS 74 12.757 -3.427 9.756 515 2HE LYS 74 HE1 LYS 74 11.871 -3.578 8.239 516 1HZ LYS 74 HZ1 LYS 74 10.416 -4.043 10.742 517 2HZ LYS 74 HZ2 LYS 74 9.869 -3.387 9.282 518 3HZ LYS 74 HZ3 LYS 74 10.803 -2.447 10.331 519 H GLU 75 HN GLU 75 7.449 -7.803 7.342 520 HA GLU 75 HA GLU 75 8.506 -8.827 4.930 521 1HB GLU 75 HB2 GLU 75 5.788 -9.371 6.141 522 2HB GLU 75 HB1 GLU 75 6.619 -10.366 4.956 523 1HG GLU 75 HG2 GLU 75 8.083 -9.855 7.463 524 2HG GLU 75 HG1 GLU 75 6.632 -10.845 7.596 525 H ALA 76 HN ALA 76 5.732 -6.755 5.643 526 HA ALA 76 HA ALA 76 4.571 -6.800 3.078 527 1HB ALA 76 HB1 ALA 76 4.436 -4.819 5.334 528 2HB ALA 76 HB2 ALA 76 3.218 -5.984 4.816 529 3HB ALA 76 HB3 ALA 76 3.570 -4.575 3.817 530 H VAL 77 HN VAL 77 7.028 -4.688 4.523 531 HA VAL 77 HA VAL 77 7.210 -2.861 2.386 532 HB VAL 77 HB VAL 77 9.473 -3.639 4.232 533 1HG1 VAL 77 HG11 VAL 77 10.155 -1.271 3.858 534 2HG1 VAL 77 HG12 VAL 77 8.887 -1.147 2.638 535 3HG1 VAL 77 HG13 VAL 77 10.224 -2.274 2.409 536 1HG2 VAL 77 HG21 VAL 77 8.127 -2.965 5.890 537 2HG2 VAL 77 HG22 VAL 77 6.957 -2.255 4.779 538 3HG2 VAL 77 HG23 VAL 77 8.385 -1.339 5.258 539 H THR 78 HN THR 78 8.869 -5.942 3.001 540 HA THR 78 HA THR 78 10.658 -5.740 0.808 541 HB THR 78 HB THR 78 10.325 -8.457 1.216 542 HG1 THR 78 HG1 THR 78 9.523 -8.771 3.111 543 1HG2 THR 78 HG21 THR 78 12.435 -7.066 1.254 544 2HG2 THR 78 HG22 THR 78 12.355 -8.420 2.381 545 3HG2 THR 78 HG23 THR 78 12.088 -6.775 2.958 546 H ILE 79 HN ILE 79 7.506 -7.369 1.187 547 HA ILE 79 HA ILE 79 7.415 -8.459 -1.412 548 HB ILE 79 HB ILE 79 5.052 -7.632 0.284 549 1HG1 ILE 79 HG12 ILE 79 6.021 -10.453 0.097 550 2HG1 ILE 79 HG11 ILE 79 6.890 -9.347 1.155 551 1HG2 ILE 79 HG21 ILE 79 3.992 -8.112 -1.649 552 2HG2 ILE 79 HG22 ILE 79 4.227 -9.779 -1.126 553 3HG2 ILE 79 HG23 ILE 79 5.343 -9.051 -2.282 554 1HD1 ILE 79 HD11 ILE 79 4.572 -8.813 2.134 555 2HD1 ILE 79 HD12 ILE 79 5.345 -10.340 2.560 556 3HD1 ILE 79 HD13 ILE 79 4.069 -10.307 1.343 557 H LEU 80 HN LEU 80 6.378 -5.329 -0.129 558 HA LEU 80 HA LEU 80 5.021 -4.387 -2.390 559 1HB LEU 80 HB2 LEU 80 5.859 -3.354 0.116 560 2HB LEU 80 HB1 LEU 80 6.405 -2.233 -1.117 561 HG LEU 80 HG LEU 80 3.569 -3.187 -1.144 562 1HD1 LEU 80 HD11 LEU 80 4.087 -0.661 0.270 563 2HD1 LEU 80 HD12 LEU 80 4.548 -2.123 1.142 564 3HD1 LEU 80 HD13 LEU 80 2.889 -1.918 0.583 565 1HD2 LEU 80 HD21 LEU 80 3.766 -1.901 -2.982 566 2HD2 LEU 80 HD22 LEU 80 5.192 -1.062 -2.374 567 3HD2 LEU 80 HD23 LEU 80 3.586 -0.572 -1.838 568 H SER 81 HN SER 81 8.462 -4.198 -1.517 569 HA SER 81 HA SER 81 9.240 -2.573 -3.691 570 1HB SER 81 HB2 SER 81 11.496 -3.118 -3.123 571 2HB SER 81 HB1 SER 81 10.595 -3.019 -1.611 572 HG SER 81 HG SER 81 11.595 -5.286 -2.948 573 H GLN 82 HN GLN 82 8.760 -6.039 -3.387 574 HA GLN 82 HA GLN 82 10.113 -6.832 -5.738 575 1HB GLN 82 HB2 GLN 82 7.763 -8.166 -4.373 576 2HB GLN 82 HB1 GLN 82 8.788 -8.908 -5.590 577 1HG GLN 82 HG2 GLN 82 9.536 -8.105 -2.796 578 2HG GLN 82 HG1 GLN 82 9.469 -9.727 -3.475 579 1HE2 GLN 82 HE21 GLN 82 11.618 -7.873 -2.263 580 2HE2 GLN 82 HE22 GLN 82 12.945 -8.050 -3.355 581 H GLN 83 HN GLN 83 6.940 -5.464 -5.188 582 HA GLN 83 HA GLN 83 5.694 -6.223 -7.593 583 1HB GLN 83 HB2 GLN 83 5.192 -3.613 -6.167 584 2HB GLN 83 HB1 GLN 83 4.071 -4.541 -7.151 585 1HG GLN 83 HG2 GLN 83 5.080 -5.178 -4.398 586 2HG GLN 83 HG1 GLN 83 3.429 -4.830 -4.897 587 1HE2 GLN 83 HE21 GLN 83 3.918 -7.031 -3.407 588 2HE2 GLN 83 HE22 GLN 83 3.735 -8.461 -4.359 589 H ARG 84 HN ARG 84 6.368 -5.822 -9.584 590 HA ARG 84 HA ARG 84 7.647 -3.227 -10.149 591 1HB ARG 84 HB2 ARG 84 8.938 -4.332 -11.896 592 2HB ARG 84 HB1 ARG 84 9.215 -5.099 -10.339 593 1HG ARG 84 HG2 ARG 84 7.955 -6.990 -10.919 594 2HG ARG 84 HG1 ARG 84 7.221 -6.179 -12.303 595 1HD ARG 84 HD2 ARG 84 8.969 -6.619 -13.646 596 2HD ARG 84 HD1 ARG 84 10.150 -6.304 -12.376 597 HE ARG 84 HE ARG 84 10.192 -8.540 -11.896 598 1HH1 ARG 84 HH11 ARG 84 7.387 -7.879 -13.890 599 2HH1 ARG 84 HH12 ARG 84 7.015 -9.551 -14.139 600 1HH2 ARG 84 HH21 ARG 84 9.694 -10.744 -12.223 601 2HH2 ARG 84 HH22 ARG 84 8.326 -11.180 -13.191 602 H GLY 85 HN GLY 85 7.234 -2.247 -12.178 603 1HA GLY 85 HA2 GLY 85 5.912 -1.570 -13.923 604 2HA GLY 85 HA1 GLY 85 5.502 -3.265 -14.143 605 H GLU 86 HN GLU 86 3.515 -3.966 -13.586 606 HA GLU 86 HA GLU 86 1.603 -1.961 -12.694 607 1HB GLU 86 HB2 GLU 86 1.194 -3.521 -14.662 608 2HB GLU 86 HB1 GLU 86 1.023 -4.817 -13.486 609 1HG GLU 86 HG2 GLU 86 -0.853 -3.671 -12.458 610 2HG GLU 86 HG1 GLU 86 -0.664 -2.325 -13.580 611 H ILE 87 HN ILE 87 1.103 -1.756 -10.620 612 HA ILE 87 HA ILE 87 1.320 -4.127 -8.876 613 HB ILE 87 HB ILE 87 1.682 -1.281 -7.946 614 1HG1 ILE 87 HG12 ILE 87 3.851 -3.274 -8.652 615 2HG1 ILE 87 HG11 ILE 87 3.430 -1.861 -9.612 616 1HG2 ILE 87 HG21 ILE 87 1.910 -3.980 -6.716 617 2HG2 ILE 87 HG22 ILE 87 1.246 -2.486 -6.054 618 3HG2 ILE 87 HG23 ILE 87 2.992 -2.706 -6.154 619 1HD1 ILE 87 HD11 ILE 87 5.243 -2.055 -7.454 620 2HD1 ILE 87 HD12 ILE 87 3.922 -0.996 -6.960 621 3HD1 ILE 87 HD13 ILE 87 4.835 -0.644 -8.427 622 H GLU 88 HN GLU 88 -0.553 -4.759 -8.015 623 HA GLU 88 HA GLU 88 -2.847 -2.950 -8.086 624 1HB GLU 88 HB2 GLU 88 -2.572 -5.921 -7.653 625 2HB GLU 88 HB1 GLU 88 -4.088 -5.074 -7.383 626 1HG GLU 88 HG2 GLU 88 -4.287 -4.494 -9.658 627 2HG GLU 88 HG1 GLU 88 -2.616 -4.946 -9.996 628 H PHE 89 HN PHE 89 -3.468 -1.855 -6.333 629 HA PHE 89 HA PHE 89 -2.632 -2.874 -3.694 630 1HB PHE 89 HB2 PHE 89 -2.255 -0.310 -4.923 631 2HB PHE 89 HB1 PHE 89 -3.280 -0.118 -3.504 632 HD1 PHE 89 HD1 PHE 89 0.043 -0.504 -4.701 633 HD2 PHE 89 HD2 PHE 89 -2.444 -1.134 -1.305 634 HE1 PHE 89 HE1 PHE 89 2.035 -0.593 -3.263 635 HE2 PHE 89 HE2 PHE 89 -0.455 -1.222 0.140 636 HZ PHE 89 HZ PHE 89 1.789 -0.951 -0.839 637 H GLU 90 HN GLU 90 -4.162 -3.309 -2.243 638 HA GLU 90 HA GLU 90 -6.891 -2.318 -2.755 639 1HB GLU 90 HB2 GLU 90 -6.162 -4.946 -1.445 640 2HB GLU 90 HB1 GLU 90 -7.773 -4.390 -1.881 641 1HG GLU 90 HG2 GLU 90 -6.957 -4.360 -4.281 642 2HG GLU 90 HG1 GLU 90 -5.546 -5.243 -3.703 643 H VAL 91 HN VAL 91 -7.460 -0.876 -1.274 644 HA VAL 91 HA VAL 91 -6.725 -1.351 1.529 645 HB VAL 91 HB VAL 91 -6.364 1.150 1.760 646 1HG1 VAL 91 HG11 VAL 91 -4.029 1.014 0.765 647 2HG1 VAL 91 HG12 VAL 91 -4.476 -0.599 0.208 648 3HG1 VAL 91 HG13 VAL 91 -4.467 -0.233 1.932 649 1HG2 VAL 91 HG21 VAL 91 -5.625 2.313 -0.311 650 2HG2 VAL 91 HG22 VAL 91 -7.343 1.917 -0.299 651 3HG2 VAL 91 HG23 VAL 91 -6.220 0.941 -1.247 652 H VAL 92 HN VAL 92 -8.005 -0.007 3.067 653 HA VAL 92 HA VAL 92 -10.658 0.725 2.009 654 HB VAL 92 HB VAL 92 -10.272 -0.739 4.624 655 1HG1 VAL 92 HG11 VAL 92 -12.300 0.427 4.702 656 2HG1 VAL 92 HG12 VAL 92 -12.753 -1.202 4.204 657 3HG1 VAL 92 HG13 VAL 92 -12.661 0.091 3.010 658 1HG2 VAL 92 HG21 VAL 92 -11.071 -1.874 1.949 659 2HG2 VAL 92 HG22 VAL 92 -11.146 -2.736 3.485 660 3HG2 VAL 92 HG23 VAL 92 -9.588 -2.225 2.836 661 H TYR 93 HN TYR 93 -11.725 2.408 3.082 662 HA TYR 93 HA TYR 93 -10.054 4.308 4.395 663 1HB TYR 93 HB2 TYR 93 -12.533 4.373 3.086 664 2HB TYR 93 HB1 TYR 93 -12.887 4.838 4.745 665 HD1 TYR 93 HD1 TYR 93 -12.801 6.405 1.935 666 HD2 TYR 93 HD2 TYR 93 -10.338 6.291 5.406 667 HE1 TYR 93 HE1 TYR 93 -12.037 8.691 1.462 668 HE2 TYR 93 HE2 TYR 93 -9.559 8.577 4.934 669 HH TYR 93 HH TYR 93 -9.373 10.049 2.759 670 H VAL 94 HN VAL 94 -9.670 4.614 6.504 671 HA VAL 94 HA VAL 94 -11.371 3.199 8.459 672 HB VAL 94 HB VAL 94 -8.412 3.729 8.777 673 1HG1 VAL 94 HG11 VAL 94 -9.830 3.489 10.836 674 2HG1 VAL 94 HG12 VAL 94 -8.528 2.310 10.683 675 3HG1 VAL 94 HG13 VAL 94 -10.188 1.843 10.314 676 1HG2 VAL 94 HG21 VAL 94 -9.664 1.062 8.156 677 2HG2 VAL 94 HG22 VAL 94 -7.953 1.487 8.184 678 3HG2 VAL 94 HG23 VAL 94 -8.995 2.119 6.911 679 H ALA 95 HN ALA 95 -11.959 4.301 10.298 680 HA ALA 95 HA ALA 95 -10.913 7.017 10.681 681 1HB ALA 95 HB1 ALA 95 -13.456 7.487 11.318 682 2HB ALA 95 HB2 ALA 95 -13.711 6.230 10.107 683 3HB ALA 95 HB3 ALA 95 -12.835 7.700 9.681 Start of MODEL 5 1 HT1 PRO 9 HT2 PRO 9 -17.422 -2.018 2.582 2 HT2 PRO 9 HT1 PRO 9 -16.052 -1.216 3.014 3 HA PRO 9 HA PRO 9 -17.546 -1.165 0.686 4 1HB PRO 9 HB2 PRO 9 -16.511 1.466 0.815 5 2HB PRO 9 HB1 PRO 9 -18.208 0.983 0.700 6 1HG PRO 9 HG2 PRO 9 -16.596 1.689 3.096 7 2HG PRO 9 HG1 PRO 9 -18.323 1.941 2.785 8 1HD PRO 9 HD2 PRO 9 -17.511 0.036 4.464 9 2HD PRO 9 HD1 PRO 9 -18.874 -0.253 3.365 10 H ILE 10 HN ILE 10 -15.822 -2.654 0.276 11 HA ILE 10 HA ILE 10 -13.087 -1.781 0.449 12 HB ILE 10 HB ILE 10 -13.670 -4.147 0.763 13 1HG1 ILE 10 HG12 ILE 10 -12.042 -4.280 -1.706 14 2HG1 ILE 10 HG11 ILE 10 -11.478 -3.151 -0.479 15 1HG2 ILE 10 HG21 ILE 10 -14.386 -4.109 -2.165 16 2HG2 ILE 10 HG22 ILE 10 -15.500 -4.335 -0.818 17 3HG2 ILE 10 HG23 ILE 10 -14.268 -5.550 -1.156 18 1HD1 ILE 10 HD11 ILE 10 -11.684 -5.112 1.147 19 2HD1 ILE 10 HD12 ILE 10 -10.354 -5.129 -0.012 20 3HD1 ILE 10 HD13 ILE 10 -11.785 -6.120 -0.297 21 H ARG 11 HN ARG 11 -11.834 -0.899 -1.086 22 HA ARG 11 HA ARG 11 -12.935 -0.669 -3.809 23 1HB ARG 11 HB2 ARG 11 -12.430 1.420 -1.995 24 2HB ARG 11 HB1 ARG 11 -11.123 1.488 -3.170 25 1HG ARG 11 HG2 ARG 11 -12.657 1.723 -4.978 26 2HG ARG 11 HG1 ARG 11 -14.034 1.397 -3.924 27 1HD ARG 11 HD2 ARG 11 -13.705 3.453 -2.747 28 2HD ARG 11 HD1 ARG 11 -12.176 3.743 -3.577 29 HE ARG 11 HE ARG 11 -13.982 3.594 -5.597 30 1HH1 ARG 11 HH11 ARG 11 -13.798 5.510 -2.670 31 2HH1 ARG 11 HH12 ARG 11 -14.665 6.846 -3.347 32 1HH2 ARG 11 HH21 ARG 11 -15.118 5.356 -6.480 33 2HH2 ARG 11 HH22 ARG 11 -15.415 6.759 -5.510 34 H LYS 12 HN LYS 12 -11.607 -1.145 -5.468 35 HA LYS 12 HA LYS 12 -8.889 -2.036 -4.802 36 1HB LYS 12 HB2 LYS 12 -10.872 -2.792 -6.906 37 2HB LYS 12 HB1 LYS 12 -9.162 -2.985 -7.260 38 1HG LYS 12 HG2 LYS 12 -9.858 -5.064 -6.452 39 2HG LYS 12 HG1 LYS 12 -9.017 -4.311 -5.098 40 1HD LYS 12 HD2 LYS 12 -10.844 -4.834 -3.907 41 2HD LYS 12 HD1 LYS 12 -11.598 -3.465 -4.726 42 1HE LYS 12 HE2 LYS 12 -11.792 -5.633 -6.499 43 2HE LYS 12 HE1 LYS 12 -12.215 -6.267 -4.909 44 1HZ LYS 12 HZ1 LYS 12 -13.452 -3.915 -6.239 45 2HZ LYS 12 HZ2 LYS 12 -13.837 -4.466 -4.686 46 3HZ LYS 12 HZ3 LYS 12 -14.165 -5.436 -6.034 47 H VAL 13 HN VAL 13 -7.172 -0.903 -5.463 48 HA VAL 13 HA VAL 13 -7.508 1.008 -7.685 49 HB VAL 13 HB VAL 13 -5.852 2.489 -6.481 50 1HG1 VAL 13 HG11 VAL 13 -8.624 2.018 -5.419 51 2HG1 VAL 13 HG12 VAL 13 -8.077 3.243 -6.565 52 3HG1 VAL 13 HG13 VAL 13 -7.620 3.358 -4.865 53 1HG2 VAL 13 HG21 VAL 13 -6.503 0.594 -4.236 54 2HG2 VAL 13 HG22 VAL 13 -5.873 2.218 -3.967 55 3HG2 VAL 13 HG23 VAL 13 -4.915 1.040 -4.863 56 H LEU 14 HN LEU 14 -5.783 1.246 -9.092 57 HA LEU 14 HA LEU 14 -3.536 -0.616 -8.667 58 1HB LEU 14 HB2 LEU 14 -3.327 -0.739 -11.120 59 2HB LEU 14 HB1 LEU 14 -4.860 -1.349 -10.532 60 HG LEU 14 HG LEU 14 -5.526 1.228 -11.098 61 1HD1 LEU 14 HD11 LEU 14 -4.488 1.245 -13.575 62 2HD1 LEU 14 HD12 LEU 14 -3.136 0.546 -12.684 63 3HD1 LEU 14 HD13 LEU 14 -3.783 2.119 -12.215 64 1HD2 LEU 14 HD21 LEU 14 -6.332 -1.212 -11.877 65 2HD2 LEU 14 HD22 LEU 14 -5.635 -0.630 -13.389 66 3HD2 LEU 14 HD23 LEU 14 -6.923 0.283 -12.602 67 H LEU 15 HN LEU 15 -1.517 0.157 -8.694 68 HA LEU 15 HA LEU 15 -1.117 2.959 -9.519 69 1HB LEU 15 HB2 LEU 15 -0.820 1.908 -6.972 70 2HB LEU 15 HB1 LEU 15 0.820 1.950 -7.590 71 HG LEU 15 HG LEU 15 0.374 4.393 -8.188 72 1HD1 LEU 15 HD11 LEU 15 -2.044 4.358 -8.035 73 2HD1 LEU 15 HD12 LEU 15 -1.377 5.497 -6.866 74 3HD1 LEU 15 HD13 LEU 15 -1.953 3.919 -6.330 75 1HD2 LEU 15 HD21 LEU 15 1.764 3.618 -6.290 76 2HD2 LEU 15 HD22 LEU 15 0.330 3.654 -5.265 77 3HD2 LEU 15 HD23 LEU 15 0.945 5.147 -5.974 78 H LEU 16 HN LEU 16 0.683 3.454 -10.712 79 HA LEU 16 HA LEU 16 2.219 1.152 -11.707 80 1HB LEU 16 HB2 LEU 16 0.756 2.868 -13.160 81 2HB LEU 16 HB1 LEU 16 2.277 3.741 -13.153 82 HG LEU 16 HG LEU 16 2.177 0.852 -13.958 83 1HD1 LEU 16 HD11 LEU 16 1.194 3.199 -15.460 84 2HD1 LEU 16 HD12 LEU 16 0.738 1.500 -15.575 85 3HD1 LEU 16 HD13 LEU 16 2.222 2.067 -16.338 86 1HD2 LEU 16 HD21 LEU 16 4.289 1.166 -14.697 87 2HD2 LEU 16 HD22 LEU 16 4.274 2.463 -13.503 88 3HD2 LEU 16 HD23 LEU 16 3.983 2.827 -15.203 89 H LYS 17 HN LYS 17 4.228 0.976 -10.990 90 HA LYS 17 HA LYS 17 5.687 3.429 -10.248 91 1HB LYS 17 HB2 LYS 17 5.020 1.612 -8.461 92 2HB LYS 17 HB1 LYS 17 6.409 0.755 -9.114 93 1HG LYS 17 HG2 LYS 17 7.558 3.124 -8.710 94 2HG LYS 17 HG1 LYS 17 6.288 3.226 -7.490 95 1HD LYS 17 HD2 LYS 17 8.033 0.794 -7.702 96 2HD LYS 17 HD1 LYS 17 8.576 2.225 -6.825 97 1HE LYS 17 HE2 LYS 17 7.281 1.749 -5.073 98 2HE LYS 17 HE1 LYS 17 5.870 1.494 -6.098 99 1HZ LYS 17 HZ1 LYS 17 7.802 -0.450 -5.073 100 2HZ LYS 17 HZ2 LYS 17 7.140 -0.745 -6.601 101 3HZ LYS 17 HZ3 LYS 17 6.126 -0.586 -5.257 102 H GLU 18 HN GLU 18 7.878 3.581 -10.779 103 HA GLU 18 HA GLU 18 8.783 1.678 -12.841 104 1HB GLU 18 HB2 GLU 18 8.982 4.642 -12.609 105 2HB GLU 18 HB1 GLU 18 10.314 3.790 -13.373 106 1HG GLU 18 HG2 GLU 18 9.100 4.118 -15.227 107 2HG GLU 18 HG1 GLU 18 8.270 2.663 -14.681 108 H ASP 19 HN ASP 19 11.121 1.361 -13.006 109 HA ASP 19 HA ASP 19 12.295 0.614 -10.584 110 1HB ASP 19 HB2 ASP 19 12.884 0.189 -13.223 111 2HB ASP 19 HB1 ASP 19 14.197 1.259 -12.741 112 H HIS 20 HN HIS 20 12.616 3.580 -12.466 113 HA HIS 20 HA HIS 20 14.655 4.679 -10.754 114 1HB HIS 20 HB2 HIS 20 14.440 6.689 -12.127 115 2HB HIS 20 HB1 HIS 20 14.558 5.257 -13.143 116 HD1 HIS 20 HD1 HIS 20 12.281 8.048 -12.237 117 HD2 HIS 20 HD2 HIS 20 12.191 4.603 -14.557 118 HE1 HIS 20 HE1 HIS 20 10.226 8.256 -13.668 119 HE2 HIS 20 HE2 HIS 20 10.101 6.080 -14.931 120 H GLU 21 HN GLU 21 11.165 4.769 -10.921 121 HA GLU 21 HA GLU 21 10.936 7.011 -9.096 122 1HB GLU 21 HB2 GLU 21 9.088 5.376 -10.733 123 2HB GLU 21 HB1 GLU 21 8.424 6.046 -9.249 124 1HG GLU 21 HG2 GLU 21 9.894 8.073 -10.620 125 2HG GLU 21 HG1 GLU 21 8.763 7.311 -11.737 126 H GLY 22 HN GLY 22 9.552 6.811 -7.135 127 1HA GLY 22 HA2 GLY 22 10.230 4.329 -5.691 128 2HA GLY 22 HA1 GLY 22 10.000 5.901 -4.940 129 H LEU 23 HN LEU 23 8.587 4.544 -3.518 130 HA LEU 23 HA LEU 23 6.201 3.371 -4.418 131 1HB LEU 23 HB2 LEU 23 7.477 3.641 -1.987 132 2HB LEU 23 HB1 LEU 23 6.016 4.581 -1.762 133 HG LEU 23 HG LEU 23 6.153 1.670 -2.558 134 1HD1 LEU 23 HD11 LEU 23 5.096 1.310 -0.363 135 2HD1 LEU 23 HD12 LEU 23 5.284 3.027 -0.011 136 3HD1 LEU 23 HD13 LEU 23 6.708 2.011 -0.233 137 1HD2 LEU 23 HD21 LEU 23 3.591 2.842 -1.728 138 2HD2 LEU 23 HD22 LEU 23 3.949 1.673 -2.997 139 3HD2 LEU 23 HD23 LEU 23 4.188 3.393 -3.292 140 H GLY 24 HN GLY 24 6.593 6.545 -2.803 141 1HA GLY 24 HA2 GLY 24 5.582 8.549 -3.607 142 2HA GLY 24 HA1 GLY 24 4.397 7.578 -4.460 143 H ILE 25 HN ILE 25 4.681 6.236 -1.436 144 HA ILE 25 HA ILE 25 2.853 8.083 -0.109 145 HB ILE 25 HB ILE 25 1.266 6.290 0.473 146 1HG1 ILE 25 HG12 ILE 25 1.643 4.369 -1.508 147 2HG1 ILE 25 HG11 ILE 25 3.261 4.654 -0.876 148 1HG2 ILE 25 HG21 ILE 25 1.635 6.818 -2.467 149 2HG2 ILE 25 HG22 ILE 25 0.654 7.735 -1.325 150 3HG2 ILE 25 HG23 ILE 25 0.191 6.092 -1.764 151 1HD1 ILE 25 HD11 ILE 25 1.444 2.932 0.176 152 2HD1 ILE 25 HD12 ILE 25 1.219 4.358 1.189 153 3HD1 ILE 25 HD13 ILE 25 2.814 3.619 1.048 154 H SER 26 HN SER 26 2.483 7.505 2.177 155 HA SER 26 HA SER 26 4.731 5.953 3.288 156 1HB SER 26 HB2 SER 26 4.675 8.548 3.583 157 2HB SER 26 HB1 SER 26 3.440 8.207 4.795 158 HG SER 26 HG SER 26 4.915 7.027 5.956 159 H ILE 27 HN ILE 27 4.299 4.470 4.834 160 HA ILE 27 HA ILE 27 1.497 4.216 5.716 161 HB ILE 27 HB ILE 27 1.991 1.743 5.916 162 1HG1 ILE 27 HG12 ILE 27 4.177 2.190 3.911 163 2HG1 ILE 27 HG11 ILE 27 4.546 2.262 5.631 164 1HG2 ILE 27 HG21 ILE 27 0.555 2.351 4.184 165 2HG2 ILE 27 HG22 ILE 27 1.805 1.404 3.380 166 3HG2 ILE 27 HG23 ILE 27 1.833 3.164 3.281 167 1HD1 ILE 27 HD11 ILE 27 3.855 0.006 5.944 168 2HD1 ILE 27 HD12 ILE 27 4.956 0.055 4.567 169 3HD1 ILE 27 HD13 ILE 27 3.218 -0.082 4.303 170 H THR 28 HN THR 28 1.137 3.311 7.816 171 HA THR 28 HA THR 28 3.459 3.286 9.609 172 HB THR 28 HB THR 28 2.388 4.688 11.235 173 HG1 THR 28 HG1 THR 28 0.278 4.367 11.186 174 1HG2 THR 28 HG21 THR 28 2.074 6.814 10.073 175 2HG2 THR 28 HG22 THR 28 2.052 5.962 8.530 176 3HG2 THR 28 HG23 THR 28 3.515 5.965 9.514 177 H GLY 29 HN GLY 29 3.147 2.104 11.578 178 1HA GLY 29 HA2 GLY 29 1.471 0.858 12.952 179 2HA GLY 29 HA1 GLY 29 0.889 0.198 11.432 180 H GLY 30 HN GLY 30 1.325 -1.799 12.832 181 1HA GLY 30 HA2 GLY 30 3.694 -3.053 11.834 182 2HA GLY 30 HA1 GLY 30 3.815 -2.719 13.553 183 H LYS 31 HN LYS 31 2.889 -4.969 11.290 184 HA LYS 31 HA LYS 31 0.615 -6.162 12.408 185 1HB LYS 31 HB2 LYS 31 2.235 -6.667 10.235 186 2HB LYS 31 HB1 LYS 31 2.517 -8.067 11.261 187 1HG LYS 31 HG2 LYS 31 -0.213 -7.104 10.438 188 2HG LYS 31 HG1 LYS 31 0.696 -8.358 9.594 189 1HD LYS 31 HD2 LYS 31 0.017 -8.511 12.525 190 2HD LYS 31 HD1 LYS 31 -1.025 -9.165 11.263 191 1HE LYS 31 HE2 LYS 31 0.516 -10.800 10.660 192 2HE LYS 31 HE1 LYS 31 1.866 -9.935 11.389 193 1HZ LYS 31 HZ1 LYS 31 1.545 -11.517 12.960 194 2HZ LYS 31 HZ2 LYS 31 -0.105 -11.692 12.634 195 3HZ LYS 31 HZ3 LYS 31 0.439 -10.380 13.552 196 H GLU 32 HN GLU 32 4.011 -6.419 13.284 197 HA GLU 32 HA GLU 32 3.886 -8.722 14.880 198 1HB GLU 32 HB2 GLU 32 5.660 -6.286 15.113 199 2HB GLU 32 HB1 GLU 32 5.897 -7.769 16.028 200 1HG GLU 32 HG2 GLU 32 5.912 -8.888 13.678 201 2HG GLU 32 HG1 GLU 32 6.278 -7.258 13.117 202 H HIS 33 HN HIS 33 2.930 -5.413 15.514 203 HA HIS 33 HA HIS 33 2.658 -5.750 18.352 204 1HB HIS 33 HB2 HIS 33 1.509 -3.625 16.529 205 2HB HIS 33 HB1 HIS 33 1.542 -3.558 18.287 206 HD1 HIS 33 HD1 HIS 33 3.542 -2.489 19.311 207 HD2 HIS 33 HD2 HIS 33 4.198 -3.576 15.356 208 HE1 HIS 33 HE1 HIS 33 5.797 -1.548 18.722 209 HE2 HIS 33 HE2 HIS 33 6.229 -2.336 16.367 210 H GLY 34 HN GLY 34 0.619 -6.242 15.561 211 1HA GLY 34 HA2 GLY 34 -1.216 -7.832 15.825 212 2HA GLY 34 HA1 GLY 34 -1.559 -7.078 17.373 213 H VAL 35 HN VAL 35 -0.798 -5.252 14.467 214 HA VAL 35 HA VAL 35 -3.608 -4.634 14.003 215 HB VAL 35 HB VAL 35 -3.058 -2.161 13.918 216 1HG1 VAL 35 HG11 VAL 35 -2.734 -2.967 16.742 217 2HG1 VAL 35 HG12 VAL 35 -4.124 -3.628 15.882 218 3HG1 VAL 35 HG13 VAL 35 -3.908 -1.882 15.995 219 1HG2 VAL 35 HG21 VAL 35 -0.589 -3.178 15.284 220 2HG2 VAL 35 HG22 VAL 35 -1.179 -1.536 15.544 221 3HG2 VAL 35 HG23 VAL 35 -0.723 -2.064 13.924 222 HA PRO 36 HA PRO 36 -2.192 -4.652 9.803 223 1HB PRO 36 HB2 PRO 36 -4.213 -3.266 8.624 224 2HB PRO 36 HB1 PRO 36 -4.389 -4.932 9.186 225 1HG PRO 36 HG2 PRO 36 -5.235 -2.387 10.512 226 2HG PRO 36 HG1 PRO 36 -6.108 -3.925 10.380 227 1HD PRO 36 HD2 PRO 36 -4.780 -3.182 12.622 228 2HD PRO 36 HD1 PRO 36 -4.948 -4.877 12.125 229 H ILE 37 HN ILE 37 -1.339 -3.280 8.156 230 HA ILE 37 HA ILE 37 -0.364 -0.748 9.175 231 HB ILE 37 HB ILE 37 0.162 -1.950 6.454 232 1HG1 ILE 37 HG12 ILE 37 0.802 -3.557 8.200 233 2HG1 ILE 37 HG11 ILE 37 2.220 -2.891 7.399 234 1HG2 ILE 37 HG21 ILE 37 1.963 -0.482 6.273 235 2HG2 ILE 37 HG22 ILE 37 1.965 -0.120 7.998 236 3HG2 ILE 37 HG23 ILE 37 0.680 0.506 6.968 237 1HD1 ILE 37 HD11 ILE 37 2.368 -1.266 9.341 238 2HD1 ILE 37 HD12 ILE 37 2.749 -2.955 9.679 239 3HD1 ILE 37 HD13 ILE 37 1.183 -2.293 10.147 240 H LEU 38 HN LEU 38 -0.891 1.277 8.431 241 HA LEU 38 HA LEU 38 -2.886 1.454 6.275 242 1HB LEU 38 HB2 LEU 38 -2.990 3.131 8.777 243 2HB LEU 38 HB1 LEU 38 -4.177 3.065 7.489 244 HG LEU 38 HG LEU 38 -4.228 0.485 8.266 245 1HD1 LEU 38 HD11 LEU 38 -4.233 0.491 10.761 246 2HD1 LEU 38 HD12 LEU 38 -3.476 2.082 10.706 247 3HD1 LEU 38 HD13 LEU 38 -2.638 0.684 10.034 248 1HD2 LEU 38 HD21 LEU 38 -6.212 1.104 9.628 249 2HD2 LEU 38 HD22 LEU 38 -6.185 1.862 8.036 250 3HD2 LEU 38 HD23 LEU 38 -5.748 2.799 9.465 251 H ILE 39 HN ILE 39 -3.054 3.611 5.292 252 HA ILE 39 HA ILE 39 -0.413 4.806 4.995 253 HB ILE 39 HB ILE 39 -2.936 5.513 3.490 254 1HG1 ILE 39 HG12 ILE 39 -0.773 3.656 2.505 255 2HG1 ILE 39 HG11 ILE 39 -2.194 3.057 3.355 256 1HG2 ILE 39 HG21 ILE 39 -0.061 5.871 2.665 257 2HG2 ILE 39 HG22 ILE 39 -1.018 7.128 3.449 258 3HG2 ILE 39 HG23 ILE 39 -1.499 6.508 1.870 259 1HD1 ILE 39 HD11 ILE 39 -3.304 4.646 1.437 260 2HD1 ILE 39 HD12 ILE 39 -3.092 2.898 1.325 261 3HD1 ILE 39 HD13 ILE 39 -1.897 3.979 0.610 262 H SER 40 HN SER 40 0.183 6.591 6.039 263 HA SER 40 HA SER 40 -1.908 8.326 7.176 264 1HB SER 40 HB2 SER 40 0.693 7.367 8.181 265 2HB SER 40 HB1 SER 40 0.351 9.069 8.495 266 HG SER 40 HG SER 40 -0.457 7.768 10.166 267 H GLU 41 HN GLU 41 1.007 8.291 5.193 268 HA GLU 41 HA GLU 41 0.517 11.129 4.568 269 1HB GLU 41 HB2 GLU 41 2.734 10.251 5.902 270 2HB GLU 41 HB1 GLU 41 3.289 10.193 4.236 271 1HG GLU 41 HG2 GLU 41 3.243 12.449 3.990 272 2HG GLU 41 HG1 GLU 41 1.900 12.658 5.113 273 H ILE 42 HN ILE 42 0.910 11.771 2.416 274 HA ILE 42 HA ILE 42 1.432 9.614 0.489 275 HB ILE 42 HB ILE 42 -0.766 11.652 0.111 276 1HG1 ILE 42 HG12 ILE 42 -1.217 8.723 0.640 277 2HG1 ILE 42 HG11 ILE 42 -1.100 9.872 1.968 278 1HG2 ILE 42 HG21 ILE 42 -1.113 10.783 -1.939 279 2HG2 ILE 42 HG22 ILE 42 -0.734 9.140 -1.424 280 3HG2 ILE 42 HG23 ILE 42 0.568 10.271 -1.791 281 1HD1 ILE 42 HD11 ILE 42 -3.371 9.193 0.570 282 2HD1 ILE 42 HD12 ILE 42 -2.931 10.772 -0.080 283 3HD1 ILE 42 HD13 ILE 42 -3.177 10.568 1.654 284 H HIS 43 HN HIS 43 3.176 10.198 -0.636 285 HA HIS 43 HA HIS 43 4.156 12.848 -0.753 286 1HB HIS 43 HB2 HIS 43 4.897 10.281 -2.110 287 2HB HIS 43 HB1 HIS 43 5.625 11.791 -2.643 288 HD1 HIS 43 HD1 HIS 43 6.875 13.171 -0.642 289 HD2 HIS 43 HD2 HIS 43 6.163 9.127 0.002 290 HE1 HIS 43 HE1 HIS 43 8.416 12.507 1.230 291 HE2 HIS 43 HE2 HIS 43 8.024 10.038 1.551 292 HA PRO 44 HA PRO 44 1.505 14.284 -4.064 293 1HB PRO 44 HB2 PRO 44 2.568 16.770 -4.252 294 2HB PRO 44 HB1 PRO 44 1.465 16.296 -2.955 295 1HG PRO 44 HG2 PRO 44 4.457 16.475 -2.927 296 2HG PRO 44 HG1 PRO 44 3.292 17.022 -1.706 297 1HD PRO 44 HD2 PRO 44 4.655 14.699 -1.469 298 2HD PRO 44 HD1 PRO 44 3.006 14.902 -0.845 299 H GLY 45 HN GLY 45 1.697 14.872 -6.276 300 1HA GLY 45 HA2 GLY 45 2.643 14.860 -8.371 301 2HA GLY 45 HA1 GLY 45 4.149 15.343 -7.602 302 H GLN 46 HN GLN 46 2.340 12.395 -6.958 303 HA GLN 46 HA GLN 46 4.410 10.802 -8.305 304 1HB GLN 46 HB2 GLN 46 3.940 11.009 -5.470 305 2HB GLN 46 HB1 GLN 46 3.588 9.372 -6.006 306 1HG GLN 46 HG2 GLN 46 5.862 9.439 -5.334 307 2HG GLN 46 HG1 GLN 46 5.831 9.323 -7.091 308 1HE2 GLN 46 HE21 GLN 46 5.681 11.939 -4.676 309 2HE2 GLN 46 HE22 GLN 46 6.888 12.920 -5.427 310 HA PRO 47 HA PRO 47 1.374 7.974 -9.883 311 1HB PRO 47 HB2 PRO 47 2.025 5.953 -7.779 312 2HB PRO 47 HB1 PRO 47 1.901 5.751 -9.531 313 1HG PRO 47 HG2 PRO 47 4.278 5.871 -8.371 314 2HG PRO 47 HG1 PRO 47 3.992 6.691 -9.917 315 1HD PRO 47 HD2 PRO 47 4.211 7.841 -7.171 316 2HD PRO 47 HD1 PRO 47 4.749 8.515 -8.723 317 H ALA 48 HN ALA 48 1.402 8.254 -6.359 318 HA ALA 48 HA ALA 48 -1.190 7.266 -5.861 319 1HB ALA 48 HB1 ALA 48 0.624 9.112 -4.333 320 2HB ALA 48 HB2 ALA 48 0.221 7.428 -3.995 321 3HB ALA 48 HB3 ALA 48 -0.985 8.691 -3.747 322 H ASP 49 HN ASP 49 0.010 10.568 -6.411 323 HA ASP 49 HA ASP 49 -2.534 11.818 -6.153 324 1HB ASP 49 HB2 ASP 49 0.019 12.749 -6.208 325 2HB ASP 49 HB1 ASP 49 -0.506 13.160 -7.837 326 H ARG 50 HN ARG 50 -0.643 10.637 -8.899 327 HA ARG 50 HA ARG 50 -2.171 11.648 -10.993 328 1HB ARG 50 HB2 ARG 50 -0.529 9.137 -10.732 329 2HB ARG 50 HB1 ARG 50 -1.342 9.561 -12.233 330 1HG ARG 50 HG2 ARG 50 0.144 11.162 -12.738 331 2HG ARG 50 HG1 ARG 50 0.278 11.709 -11.067 332 1HD ARG 50 HD2 ARG 50 2.385 10.764 -11.920 333 2HD ARG 50 HD1 ARG 50 1.751 9.867 -10.542 334 HE ARG 50 HE ARG 50 1.479 8.035 -11.891 335 1HH1 ARG 50 HH11 ARG 50 2.027 10.841 -13.914 336 2HH1 ARG 50 HH12 ARG 50 2.208 9.913 -15.363 337 1HH2 ARG 50 HH21 ARG 50 1.722 6.817 -13.806 338 2HH2 ARG 50 HH22 ARG 50 2.034 7.629 -15.303 339 H CYS 51 HN CYS 51 -2.706 8.774 -9.002 340 HA CYS 51 HA CYS 51 -4.928 7.874 -10.607 341 1HB CYS 51 HB2 CYS 51 -3.633 6.958 -8.065 342 2HB CYS 51 HB1 CYS 51 -5.218 6.337 -8.511 343 HG CYS 51 HG CYS 51 -3.661 5.787 -10.865 344 H GLY 52 HN GLY 52 -4.475 9.877 -7.775 345 1HA GLY 52 HA2 GLY 52 -5.967 11.213 -6.644 346 2HA GLY 52 HA1 GLY 52 -7.140 10.855 -7.898 347 H GLY 53 HN GLY 53 -5.835 8.071 -6.393 348 1HA GLY 53 HA2 GLY 53 -8.338 7.738 -4.866 349 2HA GLY 53 HA1 GLY 53 -7.371 6.426 -5.518 350 H LEU 54 HN LEU 54 -4.832 7.629 -4.597 351 HA LEU 54 HA LEU 54 -4.704 6.400 -2.052 352 1HB LEU 54 HB2 LEU 54 -2.864 7.788 -3.860 353 2HB LEU 54 HB1 LEU 54 -2.487 8.034 -2.166 354 HG LEU 54 HG LEU 54 -1.239 6.157 -3.150 355 1HD1 LEU 54 HD11 LEU 54 -1.743 6.185 -0.757 356 2HD1 LEU 54 HD12 LEU 54 -1.684 4.542 -1.394 357 3HD1 LEU 54 HD13 LEU 54 -3.240 5.304 -1.064 358 1HD2 LEU 54 HD21 LEU 54 -2.422 5.053 -4.728 359 2HD2 LEU 54 HD22 LEU 54 -3.963 5.298 -3.908 360 3HD2 LEU 54 HD23 LEU 54 -2.862 4.035 -3.358 361 H HIS 55 HN HIS 55 -5.936 7.234 -0.467 362 HA HIS 55 HA HIS 55 -5.648 10.103 0.138 363 1HB HIS 55 HB2 HIS 55 -7.848 9.879 1.320 364 2HB HIS 55 HB1 HIS 55 -7.938 9.613 -0.418 365 HD1 HIS 55 HD1 HIS 55 -7.593 7.472 2.725 366 HD2 HIS 55 HD2 HIS 55 -9.316 7.374 -1.058 367 HE1 HIS 55 HE1 HIS 55 -8.879 5.317 2.626 368 HE2 HIS 55 HE2 HIS 55 -9.828 5.230 0.295 369 H VAL 56 HN VAL 56 -5.657 10.711 2.415 370 HA VAL 56 HA VAL 56 -3.931 9.032 3.951 371 HB VAL 56 HB VAL 56 -5.426 11.486 4.895 372 1HG1 VAL 56 HG11 VAL 56 -3.237 11.549 6.348 373 2HG1 VAL 56 HG12 VAL 56 -3.237 9.814 6.034 374 3HG1 VAL 56 HG13 VAL 56 -4.617 10.567 6.835 375 1HG2 VAL 56 HG21 VAL 56 -3.248 12.652 4.423 376 2HG2 VAL 56 HG22 VAL 56 -4.159 12.156 2.998 377 3HG2 VAL 56 HG23 VAL 56 -2.759 11.219 3.519 378 H GLY 57 HN GLY 57 -4.377 7.688 5.623 379 1HA GLY 57 HA2 GLY 57 -5.629 6.696 7.330 380 2HA GLY 57 HA1 GLY 57 -7.016 7.661 6.848 381 H ASP 58 HN ASP 58 -4.961 5.406 5.011 382 HA ASP 58 HA ASP 58 -7.399 3.899 4.304 383 1HB ASP 58 HB2 ASP 58 -5.652 5.122 2.588 384 2HB ASP 58 HB1 ASP 58 -4.998 3.491 2.642 385 H ALA 59 HN ALA 59 -7.501 1.757 4.797 386 HA ALA 59 HA ALA 59 -5.257 0.628 6.280 387 1HB ALA 59 HB1 ALA 59 -7.772 0.577 6.966 388 2HB ALA 59 HB2 ALA 59 -6.742 -0.821 7.274 389 3HB ALA 59 HB3 ALA 59 -7.837 -0.819 5.891 390 H ILE 60 HN ILE 60 -3.846 -0.739 5.427 391 HA ILE 60 HA ILE 60 -4.103 -1.682 2.733 392 HB ILE 60 HB ILE 60 -2.030 -2.513 4.765 393 1HG1 ILE 60 HG12 ILE 60 -1.832 -0.259 2.758 394 2HG1 ILE 60 HG11 ILE 60 -2.200 -0.019 4.462 395 1HG2 ILE 60 HG21 ILE 60 -2.316 -3.836 2.618 396 2HG2 ILE 60 HG22 ILE 60 -0.704 -3.200 2.945 397 3HG2 ILE 60 HG23 ILE 60 -1.748 -2.394 1.775 398 1HD1 ILE 60 HD11 ILE 60 0.340 -0.398 3.165 399 2HD1 ILE 60 HD12 ILE 60 0.099 -1.572 4.458 400 3HD1 ILE 60 HD13 ILE 60 -0.021 0.154 4.800 401 H LEU 61 HN LEU 61 -4.761 -3.625 1.999 402 HA LEU 61 HA LEU 61 -5.359 -5.707 4.000 403 1HB LEU 61 HB2 LEU 61 -6.830 -5.041 1.449 404 2HB LEU 61 HB1 LEU 61 -7.139 -6.471 2.414 405 HG LEU 61 HG LEU 61 -7.486 -3.634 3.390 406 1HD1 LEU 61 HD11 LEU 61 -9.421 -5.627 2.251 407 2HD1 LEU 61 HD12 LEU 61 -9.169 -3.943 1.792 408 3HD1 LEU 61 HD13 LEU 61 -9.939 -4.331 3.330 409 1HD2 LEU 61 HD21 LEU 61 -6.981 -5.158 5.198 410 2HD2 LEU 61 HD22 LEU 61 -8.203 -6.292 4.623 411 3HD2 LEU 61 HD23 LEU 61 -8.688 -4.718 5.253 412 H ALA 62 HN ALA 62 -5.049 -5.546 0.432 413 HA ALA 62 HA ALA 62 -3.012 -7.656 0.583 414 1HB ALA 62 HB1 ALA 62 -5.652 -7.812 -0.731 415 2HB ALA 62 HB2 ALA 62 -4.646 -9.085 -0.040 416 3HB ALA 62 HB3 ALA 62 -4.282 -8.448 -1.643 417 H VAL 63 HN VAL 63 -1.473 -7.655 -1.036 418 HA VAL 63 HA VAL 63 -1.510 -5.314 -2.835 419 HB VAL 63 HB VAL 63 0.961 -6.698 -1.785 420 1HG1 VAL 63 HG11 VAL 63 1.802 -4.269 -2.449 421 2HG1 VAL 63 HG12 VAL 63 0.435 -4.377 -3.558 422 3HG1 VAL 63 HG13 VAL 63 1.717 -5.586 -3.617 423 1HG2 VAL 63 HG21 VAL 63 -0.447 -5.602 0.005 424 2HG2 VAL 63 HG22 VAL 63 -0.123 -4.068 -0.803 425 3HG2 VAL 63 HG23 VAL 63 1.210 -5.016 -0.142 426 H ASN 64 HN ASN 64 -1.821 -5.895 -4.883 427 HA ASN 64 HA ASN 64 -1.864 -7.088 -6.816 428 1HB ASN 64 HB2 ASN 64 0.702 -6.689 -6.304 429 2HB ASN 64 HB1 ASN 64 0.712 -8.437 -6.100 430 1HD2 ASN 64 HD21 ASN 64 1.214 -6.025 -8.274 431 2HD2 ASN 64 HD22 ASN 64 0.947 -6.897 -9.740 432 H GLY 65 HN GLY 65 -3.244 -8.258 -4.635 433 1HA GLY 65 HA2 GLY 65 -4.490 -10.224 -4.490 434 2HA GLY 65 HA1 GLY 65 -3.353 -11.003 -5.572 435 H VAL 66 HN VAL 66 -1.215 -9.825 -3.558 436 HA VAL 66 HA VAL 66 -1.086 -12.252 -1.983 437 HB VAL 66 HB VAL 66 0.832 -9.918 -1.966 438 1HG1 VAL 66 HG11 VAL 66 1.764 -12.660 -1.442 439 2HG1 VAL 66 HG12 VAL 66 0.717 -11.965 -0.205 440 3HG1 VAL 66 HG13 VAL 66 2.206 -11.140 -0.665 441 1HG2 VAL 66 HG21 VAL 66 1.585 -12.343 -3.439 442 2HG2 VAL 66 HG22 VAL 66 1.825 -10.644 -3.847 443 3HG2 VAL 66 HG23 VAL 66 0.273 -11.416 -4.167 444 H ASN 67 HN ASN 67 -1.443 -12.449 0.167 445 HA ASN 67 HA ASN 67 -2.827 -10.324 1.516 446 1HB ASN 67 HB2 ASN 67 -3.356 -12.798 1.747 447 2HB ASN 67 HB1 ASN 67 -1.906 -12.933 2.737 448 1HD2 ASN 67 HD21 ASN 67 -2.593 -13.207 4.757 449 2HD2 ASN 67 HD22 ASN 67 -3.758 -12.220 5.565 450 H LEU 68 HN LEU 68 -2.142 -9.030 3.150 451 HA LEU 68 HA LEU 68 0.702 -9.235 3.901 452 1HB LEU 68 HB2 LEU 68 -0.337 -7.194 2.539 453 2HB LEU 68 HB1 LEU 68 -0.744 -6.651 4.155 454 HG LEU 68 HG LEU 68 1.826 -7.181 4.590 455 1HD1 LEU 68 HD11 LEU 68 2.729 -7.895 2.639 456 2HD1 LEU 68 HD12 LEU 68 2.899 -6.160 2.373 457 3HD1 LEU 68 HD13 LEU 68 1.551 -7.035 1.647 458 1HD2 LEU 68 HD21 LEU 68 1.381 -5.039 5.111 459 2HD2 LEU 68 HD22 LEU 68 0.348 -4.800 3.702 460 3HD2 LEU 68 HD23 LEU 68 2.101 -4.699 3.538 461 H ARG 69 HN ARG 69 -2.339 -9.724 5.119 462 HA ARG 69 HA ARG 69 -2.155 -8.462 7.654 463 1HB ARG 69 HB2 ARG 69 -4.254 -9.350 6.502 464 2HB ARG 69 HB1 ARG 69 -3.764 -10.939 7.070 465 1HG ARG 69 HG2 ARG 69 -4.571 -10.553 9.100 466 2HG ARG 69 HG1 ARG 69 -3.719 -9.013 9.220 467 1HD ARG 69 HD2 ARG 69 -5.716 -8.026 9.119 468 2HD ARG 69 HD1 ARG 69 -5.770 -8.507 7.425 469 HE ARG 69 HE ARG 69 -7.247 -9.665 9.620 470 1HH1 ARG 69 HH11 ARG 69 -6.108 -10.121 6.337 471 2HH1 ARG 69 HH12 ARG 69 -7.310 -11.304 5.952 472 1HH2 ARG 69 HH21 ARG 69 -8.829 -11.228 9.104 473 2HH2 ARG 69 HH22 ARG 69 -8.856 -11.932 7.522 474 H ASP 70 HN ASP 70 -0.990 -11.525 6.405 475 HA ASP 70 HA ASP 70 -0.201 -12.367 9.099 476 1HB ASP 70 HB2 ASP 70 -0.659 -13.767 6.523 477 2HB ASP 70 HB1 ASP 70 0.594 -14.428 7.570 478 H THR 71 HN THR 71 1.112 -10.301 7.081 479 HA THR 71 HA THR 71 3.840 -11.390 7.263 480 HB THR 71 HB THR 71 3.279 -8.983 5.605 481 HG1 THR 71 HG1 THR 71 2.440 -10.194 3.934 482 1HG2 THR 71 HG21 THR 71 5.325 -10.964 5.794 483 2HG2 THR 71 HG22 THR 71 5.294 -9.471 4.856 484 3HG2 THR 71 HG23 THR 71 4.649 -10.960 4.166 485 H LYS 72 HN LYS 72 5.564 -9.851 7.789 486 HA LYS 72 HA LYS 72 4.765 -8.103 9.966 487 1HB LYS 72 HB2 LYS 72 7.323 -9.296 9.009 488 2HB LYS 72 HB1 LYS 72 7.418 -7.806 9.938 489 1HG LYS 72 HG2 LYS 72 7.671 -9.567 11.479 490 2HG LYS 72 HG1 LYS 72 6.033 -8.952 11.701 491 1HD LYS 72 HD2 LYS 72 5.153 -10.780 10.340 492 2HD LYS 72 HD1 LYS 72 6.791 -11.390 10.093 493 1HE LYS 72 HE2 LYS 72 6.459 -11.091 12.872 494 2HE LYS 72 HE1 LYS 72 4.986 -11.855 12.275 495 1HZ LYS 72 HZ1 LYS 72 7.133 -13.235 12.910 496 2HZ LYS 72 HZ2 LYS 72 7.529 -12.913 11.297 497 3HZ LYS 72 HZ3 LYS 72 6.091 -13.722 11.670 498 H HIS 73 HN HIS 73 5.698 -5.908 10.175 499 HA HIS 73 HA HIS 73 5.012 -4.242 8.060 500 1HB HIS 73 HB2 HIS 73 5.220 -3.470 10.392 501 2HB HIS 73 HB1 HIS 73 6.968 -3.651 10.296 502 HD1 HIS 73 HD1 HIS 73 8.174 -1.564 9.770 503 HD2 HIS 73 HD2 HIS 73 4.276 -1.488 8.331 504 HE1 HIS 73 HE1 HIS 73 7.868 0.726 8.777 505 HE2 HIS 73 HE2 HIS 73 5.538 0.710 7.819 506 H LYS 74 HN LYS 74 8.291 -5.241 9.072 507 HA LYS 74 HA LYS 74 9.635 -3.918 6.964 508 1HB LYS 74 HB2 LYS 74 10.690 -4.728 9.093 509 2HB LYS 74 HB1 LYS 74 10.581 -6.366 8.464 510 1HG LYS 74 HG2 LYS 74 12.066 -5.813 6.644 511 2HG LYS 74 HG1 LYS 74 12.101 -4.121 7.148 512 1HD LYS 74 HD2 LYS 74 12.984 -4.994 9.385 513 2HD LYS 74 HD1 LYS 74 13.265 -6.518 8.542 514 1HE LYS 74 HE2 LYS 74 14.410 -3.836 7.758 515 2HE LYS 74 HE1 LYS 74 15.277 -5.110 8.612 516 1HZ LYS 74 HZ1 LYS 74 14.597 -4.900 5.799 517 2HZ LYS 74 HZ2 LYS 74 14.409 -6.441 6.471 518 3HZ LYS 74 HZ3 LYS 74 15.910 -5.665 6.544 519 H GLU 75 HN GLU 75 8.396 -7.217 7.319 520 HA GLU 75 HA GLU 75 9.445 -8.251 4.910 521 1HB GLU 75 HB2 GLU 75 7.031 -9.064 6.534 522 2HB GLU 75 HB1 GLU 75 7.630 -9.974 5.155 523 1HG GLU 75 HG2 GLU 75 9.816 -10.184 6.359 524 2HG GLU 75 HG1 GLU 75 9.029 -9.472 7.767 525 H ALA 76 HN ALA 76 6.458 -6.538 5.677 526 HA ALA 76 HA ALA 76 5.126 -6.953 3.235 527 1HB ALA 76 HB1 ALA 76 4.070 -4.628 3.970 528 2HB ALA 76 HB2 ALA 76 4.853 -5.050 5.493 529 3HB ALA 76 HB3 ALA 76 3.669 -6.143 4.777 530 H VAL 77 HN VAL 77 7.617 -4.670 4.184 531 HA VAL 77 HA VAL 77 7.323 -2.818 2.082 532 HB VAL 77 HB VAL 77 9.916 -3.596 3.438 533 1HG1 VAL 77 HG11 VAL 77 10.058 -2.208 1.358 534 2HG1 VAL 77 HG12 VAL 77 10.718 -1.441 2.801 535 3HG1 VAL 77 HG13 VAL 77 9.132 -0.965 2.198 536 1HG2 VAL 77 HG21 VAL 77 7.670 -2.670 4.713 537 2HG2 VAL 77 HG22 VAL 77 8.559 -1.185 4.380 538 3HG2 VAL 77 HG23 VAL 77 9.324 -2.485 5.292 539 H THR 78 HN THR 78 9.172 -5.829 2.354 540 HA THR 78 HA THR 78 10.450 -5.681 -0.161 541 HB THR 78 HB THR 78 9.686 -8.161 1.397 542 HG1 THR 78 HG1 THR 78 11.428 -7.848 2.592 543 1HG2 THR 78 HG21 THR 78 12.186 -8.021 -0.162 544 2HG2 THR 78 HG22 THR 78 10.684 -8.199 -1.069 545 3HG2 THR 78 HG23 THR 78 11.116 -9.385 0.161 546 H ILE 79 HN ILE 79 7.371 -7.085 0.895 547 HA ILE 79 HA ILE 79 6.647 -8.392 -1.471 548 HB ILE 79 HB ILE 79 4.749 -7.006 0.434 549 1HG1 ILE 79 HG12 ILE 79 6.164 -8.508 1.700 550 2HG1 ILE 79 HG11 ILE 79 4.567 -9.225 1.537 551 1HG2 ILE 79 HG21 ILE 79 3.273 -8.977 -0.362 552 2HG2 ILE 79 HG22 ILE 79 4.398 -9.056 -1.718 553 3HG2 ILE 79 HG23 ILE 79 3.480 -7.580 -1.420 554 1HD1 ILE 79 HD11 ILE 79 5.444 -10.628 -0.306 555 2HD1 ILE 79 HD12 ILE 79 6.226 -10.920 1.247 556 3HD1 ILE 79 HD13 ILE 79 7.050 -9.971 0.011 557 H LEU 80 HN LEU 80 6.039 -5.051 -0.425 558 HA LEU 80 HA LEU 80 4.503 -4.231 -2.620 559 1HB LEU 80 HB2 LEU 80 5.614 -3.040 -0.330 560 2HB LEU 80 HB1 LEU 80 6.217 -2.110 -1.688 561 HG LEU 80 HG LEU 80 3.314 -2.683 -1.698 562 1HD1 LEU 80 HD11 LEU 80 3.159 -0.524 -0.196 563 2HD1 LEU 80 HD12 LEU 80 4.673 -1.149 0.457 564 3HD1 LEU 80 HD13 LEU 80 3.213 -2.137 0.516 565 1HD2 LEU 80 HD21 LEU 80 3.984 -1.338 -3.457 566 2HD2 LEU 80 HD22 LEU 80 5.156 -0.457 -2.475 567 3HD2 LEU 80 HD23 LEU 80 3.431 -0.155 -2.272 568 H SER 81 HN SER 81 8.012 -4.275 -2.143 569 HA SER 81 HA SER 81 8.614 -2.989 -4.620 570 1HB SER 81 HB2 SER 81 10.175 -4.288 -2.449 571 2HB SER 81 HB1 SER 81 10.945 -4.166 -4.031 572 HG SER 81 HG SER 81 9.942 -2.068 -2.412 573 H GLN 82 HN GLN 82 7.641 -6.185 -3.884 574 HA GLN 82 HA GLN 82 9.126 -7.580 -5.869 575 1HB GLN 82 HB2 GLN 82 6.550 -8.236 -4.437 576 2HB GLN 82 HB1 GLN 82 7.309 -9.325 -5.590 577 1HG GLN 82 HG2 GLN 82 9.137 -8.363 -3.537 578 2HG GLN 82 HG1 GLN 82 7.767 -9.264 -2.892 579 1HE2 GLN 82 HE21 GLN 82 9.510 -10.749 -2.250 580 2HE2 GLN 82 HE22 GLN 82 10.032 -11.943 -3.384 581 H GLN 83 HN GLN 83 6.171 -5.721 -5.923 582 HA GLN 83 HA GLN 83 5.277 -6.676 -8.474 583 1HB GLN 83 HB2 GLN 83 4.491 -4.298 -6.789 584 2HB GLN 83 HB1 GLN 83 3.717 -4.699 -8.317 585 1HG GLN 83 HG2 GLN 83 2.302 -5.625 -6.761 586 2HG GLN 83 HG1 GLN 83 3.290 -7.002 -7.232 587 1HE2 GLN 83 HE21 GLN 83 3.821 -8.215 -5.566 588 2HE2 GLN 83 HE22 GLN 83 4.157 -7.660 -3.965 589 H ARG 84 HN ARG 84 5.639 -5.861 -10.472 590 HA ARG 84 HA ARG 84 7.221 -3.393 -10.705 591 1HB ARG 84 HB2 ARG 84 8.060 -6.040 -11.343 592 2HB ARG 84 HB1 ARG 84 7.896 -5.144 -12.847 593 1HG ARG 84 HG2 ARG 84 9.744 -3.967 -12.459 594 2HG ARG 84 HG1 ARG 84 9.246 -3.585 -10.811 595 1HD ARG 84 HD2 ARG 84 11.234 -4.802 -10.575 596 2HD ARG 84 HD1 ARG 84 9.951 -5.958 -10.218 597 HE ARG 84 HE ARG 84 10.406 -6.315 -12.868 598 1HH1 ARG 84 HH11 ARG 84 12.483 -6.335 -10.048 599 2HH1 ARG 84 HH12 ARG 84 13.611 -7.453 -10.736 600 1HH2 ARG 84 HH21 ARG 84 11.895 -7.792 -13.765 601 2HH2 ARG 84 HH22 ARG 84 13.279 -8.279 -12.843 602 H GLY 85 HN GLY 85 6.855 -2.131 -12.539 603 1HA GLY 85 HA2 GLY 85 5.674 -1.270 -14.313 604 2HA GLY 85 HA1 GLY 85 5.205 -2.918 -14.708 605 H GLU 86 HN GLU 86 3.280 -3.766 -13.896 606 HA GLU 86 HA GLU 86 1.343 -1.732 -13.071 607 1HB GLU 86 HB2 GLU 86 0.989 -3.363 -15.042 608 2HB GLU 86 HB1 GLU 86 0.690 -4.579 -13.808 609 1HG GLU 86 HG2 GLU 86 -1.240 -3.512 -13.051 610 2HG GLU 86 HG1 GLU 86 -0.814 -1.989 -13.828 611 H ILE 87 HN ILE 87 0.989 -1.512 -10.965 612 HA ILE 87 HA ILE 87 1.220 -3.890 -9.238 613 HB ILE 87 HB ILE 87 1.463 -1.029 -8.316 614 1HG1 ILE 87 HG12 ILE 87 3.685 -2.964 -9.020 615 2HG1 ILE 87 HG11 ILE 87 3.267 -1.508 -9.917 616 1HG2 ILE 87 HG21 ILE 87 2.764 -3.201 -6.834 617 2HG2 ILE 87 HG22 ILE 87 1.003 -3.281 -6.870 618 3HG2 ILE 87 HG23 ILE 87 1.809 -1.840 -6.253 619 1HD1 ILE 87 HD11 ILE 87 4.989 -1.816 -7.657 620 2HD1 ILE 87 HD12 ILE 87 3.685 -0.693 -7.270 621 3HD1 ILE 87 HD13 ILE 87 4.715 -0.400 -8.671 622 H GLU 88 HN GLU 88 -0.569 -4.578 -8.256 623 HA GLU 88 HA GLU 88 -2.953 -2.871 -8.317 624 1HB GLU 88 HB2 GLU 88 -2.633 -5.488 -9.041 625 2HB GLU 88 HB1 GLU 88 -3.245 -5.653 -7.400 626 1HG GLU 88 HG2 GLU 88 -5.206 -4.384 -7.942 627 2HG GLU 88 HG1 GLU 88 -4.572 -4.012 -9.544 628 H PHE 89 HN PHE 89 -3.956 -2.168 -6.496 629 HA PHE 89 HA PHE 89 -2.929 -3.141 -3.912 630 1HB PHE 89 HB2 PHE 89 -2.847 -0.453 -5.019 631 2HB PHE 89 HB1 PHE 89 -3.683 -0.498 -3.471 632 HD1 PHE 89 HD1 PHE 89 -2.519 -1.079 -1.443 633 HD2 PHE 89 HD2 PHE 89 -0.495 -1.007 -5.185 634 HE1 PHE 89 HE1 PHE 89 -0.358 -1.121 -0.270 635 HE2 PHE 89 HE2 PHE 89 1.670 -1.049 -4.019 636 HZ PHE 89 HZ PHE 89 1.739 -1.107 -1.558 637 H GLU 90 HN GLU 90 -4.409 -3.559 -2.362 638 HA GLU 90 HA GLU 90 -7.200 -2.785 -2.903 639 1HB GLU 90 HB2 GLU 90 -6.503 -5.284 -3.197 640 2HB GLU 90 HB1 GLU 90 -6.521 -5.314 -1.439 641 1HG GLU 90 HG2 GLU 90 -8.834 -4.720 -1.383 642 2HG GLU 90 HG1 GLU 90 -8.851 -4.427 -3.121 643 H VAL 91 HN VAL 91 -7.879 -1.399 -1.428 644 HA VAL 91 HA VAL 91 -7.288 -1.864 1.398 645 HB VAL 91 HB VAL 91 -6.776 0.565 1.728 646 1HG1 VAL 91 HG11 VAL 91 -5.091 -1.460 1.158 647 2HG1 VAL 91 HG12 VAL 91 -4.562 0.168 1.577 648 3HG1 VAL 91 HG13 VAL 91 -4.655 -0.321 -0.115 649 1HG2 VAL 91 HG21 VAL 91 -6.573 0.553 -1.281 650 2HG2 VAL 91 HG22 VAL 91 -6.021 1.858 -0.229 651 3HG2 VAL 91 HG23 VAL 91 -7.735 1.454 -0.307 652 H VAL 92 HN VAL 92 -8.549 -0.179 2.773 653 HA VAL 92 HA VAL 92 -11.062 0.626 1.507 654 HB VAL 92 HB VAL 92 -11.512 -1.605 2.418 655 1HG1 VAL 92 HG11 VAL 92 -10.665 -0.426 5.061 656 2HG1 VAL 92 HG12 VAL 92 -9.843 -1.704 4.164 657 3HG1 VAL 92 HG13 VAL 92 -11.442 -1.995 4.851 658 1HG2 VAL 92 HG21 VAL 92 -12.890 0.235 4.321 659 2HG2 VAL 92 HG22 VAL 92 -13.547 -1.085 3.353 660 3HG2 VAL 92 HG23 VAL 92 -13.134 0.448 2.588 661 H TYR 93 HN TYR 93 -11.913 2.490 2.305 662 HA TYR 93 HA TYR 93 -10.297 4.158 3.915 663 1HB TYR 93 HB2 TYR 93 -12.307 4.632 2.169 664 2HB TYR 93 HB1 TYR 93 -13.171 4.842 3.686 665 HD1 TYR 93 HD1 TYR 93 -10.999 6.047 5.360 666 HD2 TYR 93 HD2 TYR 93 -12.168 6.814 1.339 667 HE1 TYR 93 HE1 TYR 93 -10.097 8.325 5.539 668 HE2 TYR 93 HE2 TYR 93 -11.269 9.095 1.510 669 HH TYR 93 HH TYR 93 -10.780 10.758 3.333 670 H VAL 94 HN VAL 94 -10.093 4.244 6.045 671 HA VAL 94 HA VAL 94 -12.199 3.031 7.703 672 HB VAL 94 HB VAL 94 -10.399 2.941 9.486 673 1HG1 VAL 94 HG11 VAL 94 -9.522 0.866 8.680 674 2HG1 VAL 94 HG12 VAL 94 -9.839 1.323 7.006 675 3HG1 VAL 94 HG13 VAL 94 -11.183 1.016 8.107 676 1HG2 VAL 94 HG21 VAL 94 -8.956 4.546 7.867 677 2HG2 VAL 94 HG22 VAL 94 -8.310 2.973 7.400 678 3HG2 VAL 94 HG23 VAL 94 -8.241 3.489 9.085 679 H ALA 95 HN ALA 95 -13.443 4.356 8.821 680 HA ALA 95 HA ALA 95 -12.354 6.721 10.097 681 1HB ALA 95 HB1 ALA 95 -13.407 8.328 8.905 682 2HB ALA 95 HB2 ALA 95 -14.800 7.304 8.551 683 3HB ALA 95 HB3 ALA 95 -13.313 7.124 7.620 Start of MODEL 6 1 HT1 PRO 9 HT2 PRO 9 -17.225 -2.719 3.122 2 HT2 PRO 9 HT1 PRO 9 -16.058 -1.583 3.358 3 HA PRO 9 HA PRO 9 -17.220 -2.543 1.054 4 1HB PRO 9 HB2 PRO 9 -16.768 0.138 0.338 5 2HB PRO 9 HB1 PRO 9 -18.325 -0.701 0.377 6 1HG PRO 9 HG2 PRO 9 -17.055 1.037 2.439 7 2HG PRO 9 HG1 PRO 9 -18.767 0.874 2.002 8 1HD PRO 9 HD2 PRO 9 -17.845 -0.234 4.237 9 2HD PRO 9 HD1 PRO 9 -19.017 -1.104 3.227 10 H ILE 10 HN ILE 10 -15.478 -3.265 0.004 11 HA ILE 10 HA ILE 10 -12.865 -2.059 0.603 12 HB ILE 10 HB ILE 10 -13.483 -4.770 -0.585 13 1HG1 ILE 10 HG12 ILE 10 -12.316 -4.165 2.131 14 2HG1 ILE 10 HG11 ILE 10 -14.045 -4.379 1.873 15 1HG2 ILE 10 HG21 ILE 10 -10.964 -3.265 -0.166 16 2HG2 ILE 10 HG22 ILE 10 -11.395 -4.432 -1.416 17 3HG2 ILE 10 HG23 ILE 10 -10.946 -4.991 0.195 18 1HD1 ILE 10 HD11 ILE 10 -13.313 -6.461 2.590 19 2HD1 ILE 10 HD12 ILE 10 -11.844 -6.388 1.616 20 3HD1 ILE 10 HD13 ILE 10 -13.408 -6.633 0.838 21 H ARG 11 HN ARG 11 -11.526 -1.324 -0.990 22 HA ARG 11 HA ARG 11 -12.576 -1.365 -3.743 23 1HB ARG 11 HB2 ARG 11 -12.031 0.893 -2.049 24 2HB ARG 11 HB1 ARG 11 -10.958 0.932 -3.441 25 1HG ARG 11 HG2 ARG 11 -12.686 2.021 -4.382 26 2HG ARG 11 HG1 ARG 11 -13.273 0.383 -4.681 27 1HD ARG 11 HD2 ARG 11 -15.130 1.308 -3.715 28 2HD ARG 11 HD1 ARG 11 -14.317 0.668 -2.287 29 HE ARG 11 HE ARG 11 -13.573 3.373 -2.861 30 1HH1 ARG 11 HH11 ARG 11 -16.017 1.377 -1.345 31 2HH1 ARG 11 HH12 ARG 11 -16.534 2.620 -0.257 32 1HH2 ARG 11 HH21 ARG 11 -14.261 5.009 -1.422 33 2HH2 ARG 11 HH22 ARG 11 -15.539 4.679 -0.301 34 H LYS 12 HN LYS 12 -11.086 -1.542 -5.420 35 HA LYS 12 HA LYS 12 -8.355 -2.295 -4.597 36 1HB LYS 12 HB2 LYS 12 -10.205 -3.425 -6.670 37 2HB LYS 12 HB1 LYS 12 -8.467 -3.569 -6.886 38 1HG LYS 12 HG2 LYS 12 -9.014 -5.555 -5.850 39 2HG LYS 12 HG1 LYS 12 -8.487 -4.556 -4.495 40 1HD LYS 12 HD2 LYS 12 -10.459 -5.559 -3.733 41 2HD LYS 12 HD1 LYS 12 -10.966 -3.945 -4.230 42 1HE LYS 12 HE2 LYS 12 -12.584 -5.491 -5.052 43 2HE LYS 12 HE1 LYS 12 -11.644 -4.924 -6.430 44 1HZ LYS 12 HZ1 LYS 12 -10.640 -6.944 -6.696 45 2HZ LYS 12 HZ2 LYS 12 -12.142 -7.450 -6.106 46 3HZ LYS 12 HZ3 LYS 12 -10.806 -7.389 -5.071 47 H VAL 13 HN VAL 13 -6.934 -0.760 -5.120 48 HA VAL 13 HA VAL 13 -7.353 0.767 -7.609 49 HB VAL 13 HB VAL 13 -5.704 1.639 -5.234 50 1HG1 VAL 13 HG11 VAL 13 -6.521 2.923 -7.810 51 2HG1 VAL 13 HG12 VAL 13 -4.931 2.852 -7.050 52 3HG1 VAL 13 HG13 VAL 13 -6.178 3.909 -6.389 53 1HG2 VAL 13 HG21 VAL 13 -7.731 1.813 -4.239 54 2HG2 VAL 13 HG22 VAL 13 -8.603 1.869 -5.771 55 3HG2 VAL 13 HG23 VAL 13 -7.791 3.313 -5.165 56 H LEU 14 HN LEU 14 -5.698 0.991 -9.068 57 HA LEU 14 HA LEU 14 -3.355 -0.736 -8.639 58 1HB LEU 14 HB2 LEU 14 -4.851 -1.254 -10.562 59 2HB LEU 14 HB1 LEU 14 -4.475 0.320 -11.237 60 HG LEU 14 HG LEU 14 -2.027 -0.439 -11.222 61 1HD1 LEU 14 HD11 LEU 14 -1.453 -2.576 -10.787 62 2HD1 LEU 14 HD12 LEU 14 -2.976 -3.227 -11.391 63 3HD1 LEU 14 HD13 LEU 14 -2.896 -2.525 -9.776 64 1HD2 LEU 14 HD21 LEU 14 -3.966 -1.879 -13.030 65 2HD2 LEU 14 HD22 LEU 14 -2.264 -1.553 -13.361 66 3HD2 LEU 14 HD23 LEU 14 -3.411 -0.218 -13.245 67 H LEU 15 HN LEU 15 -1.393 0.138 -8.458 68 HA LEU 15 HA LEU 15 -1.053 2.977 -9.176 69 1HB LEU 15 HB2 LEU 15 -0.880 2.401 -6.748 70 2HB LEU 15 HB1 LEU 15 0.503 1.393 -7.130 71 HG LEU 15 HG LEU 15 1.185 3.832 -8.241 72 1HD1 LEU 15 HD11 LEU 15 -0.750 4.856 -7.096 73 2HD1 LEU 15 HD12 LEU 15 0.798 5.505 -6.557 74 3HD1 LEU 15 HD13 LEU 15 -0.070 4.347 -5.550 75 1HD2 LEU 15 HD21 LEU 15 2.674 2.331 -7.038 76 2HD2 LEU 15 HD22 LEU 15 1.871 2.727 -5.518 77 3HD2 LEU 15 HD23 LEU 15 2.779 3.965 -6.385 78 H LEU 16 HN LEU 16 0.334 3.437 -10.753 79 HA LEU 16 HA LEU 16 2.228 1.350 -11.603 80 1HB LEU 16 HB2 LEU 16 0.663 3.419 -13.066 81 2HB LEU 16 HB1 LEU 16 2.234 2.977 -13.707 82 HG LEU 16 HG LEU 16 1.355 0.538 -13.541 83 1HD1 LEU 16 HD11 LEU 16 -0.647 0.527 -12.478 84 2HD1 LEU 16 HD12 LEU 16 -1.232 0.774 -14.124 85 3HD1 LEU 16 HD13 LEU 16 -1.077 2.147 -13.027 86 1HD2 LEU 16 HD21 LEU 16 1.798 1.281 -15.678 87 2HD2 LEU 16 HD22 LEU 16 0.650 2.615 -15.569 88 3HD2 LEU 16 HD23 LEU 16 0.065 0.962 -15.762 89 H LYS 17 HN LYS 17 4.250 1.692 -10.953 90 HA LYS 17 HA LYS 17 5.266 4.457 -10.945 91 1HB LYS 17 HB2 LYS 17 6.665 3.893 -8.996 92 2HB LYS 17 HB1 LYS 17 4.949 3.758 -8.639 93 1HG LYS 17 HG2 LYS 17 5.205 1.657 -7.991 94 2HG LYS 17 HG1 LYS 17 5.931 1.227 -9.540 95 1HD LYS 17 HD2 LYS 17 8.098 2.165 -8.660 96 2HD LYS 17 HD1 LYS 17 7.320 2.280 -7.081 97 1HE LYS 17 HE2 LYS 17 8.636 0.231 -7.275 98 2HE LYS 17 HE1 LYS 17 6.920 -0.128 -7.092 99 1HZ LYS 17 HZ1 LYS 17 6.768 -0.927 -9.201 100 2HZ LYS 17 HZ2 LYS 17 8.394 -1.297 -8.915 101 3HZ LYS 17 HZ3 LYS 17 7.985 0.078 -9.812 102 H GLU 18 HN GLU 18 7.172 4.815 -11.913 103 HA GLU 18 HA GLU 18 8.337 2.680 -13.469 104 1HB GLU 18 HB2 GLU 18 9.098 5.597 -13.220 105 2HB GLU 18 HB1 GLU 18 9.800 4.468 -14.369 106 1HG GLU 18 HG2 GLU 18 7.109 4.217 -14.841 107 2HG GLU 18 HG1 GLU 18 7.284 5.930 -14.470 108 H ASP 19 HN ASP 19 10.827 2.635 -13.595 109 HA ASP 19 HA ASP 19 11.838 1.640 -11.193 110 1HB ASP 19 HB2 ASP 19 12.685 1.610 -13.787 111 2HB ASP 19 HB1 ASP 19 13.862 2.698 -13.056 112 H HIS 20 HN HIS 20 12.119 4.858 -12.630 113 HA HIS 20 HA HIS 20 13.937 5.829 -10.638 114 1HB HIS 20 HB2 HIS 20 13.577 8.028 -11.657 115 2HB HIS 20 HB1 HIS 20 13.896 6.810 -12.883 116 HD1 HIS 20 HD1 HIS 20 11.396 9.295 -11.809 117 HD2 HIS 20 HD2 HIS 20 11.599 6.091 -14.445 118 HE1 HIS 20 HE1 HIS 20 9.406 9.546 -13.327 119 HE2 HIS 20 HE2 HIS 20 9.489 7.530 -14.840 120 H GLU 21 HN GLU 21 10.455 5.711 -10.987 121 HA GLU 21 HA GLU 21 9.900 7.605 -8.902 122 1HB GLU 21 HB2 GLU 21 8.126 5.552 -10.239 123 2HB GLU 21 HB1 GLU 21 7.564 6.781 -9.115 124 1HG GLU 21 HG2 GLU 21 9.082 8.024 -11.191 125 2HG GLU 21 HG1 GLU 21 7.860 6.975 -11.905 126 H GLY 22 HN GLY 22 8.548 6.968 -6.983 127 1HA GLY 22 HA2 GLY 22 9.655 4.505 -5.787 128 2HA GLY 22 HA1 GLY 22 9.277 5.961 -4.882 129 H LEU 23 HN LEU 23 7.965 4.768 -3.447 130 HA LEU 23 HA LEU 23 5.782 3.162 -4.291 131 1HB LEU 23 HB2 LEU 23 7.045 3.658 -1.892 132 2HB LEU 23 HB1 LEU 23 5.480 4.412 -1.661 133 HG LEU 23 HG LEU 23 5.502 1.644 -2.747 134 1HD1 LEU 23 HD11 LEU 23 7.159 2.005 -0.698 135 2HD1 LEU 23 HD12 LEU 23 6.146 0.572 -0.858 136 3HD1 LEU 23 HD13 LEU 23 5.646 1.890 0.200 137 1HD2 LEU 23 HD21 LEU 23 3.413 1.507 -1.809 138 2HD2 LEU 23 HD22 LEU 23 3.498 3.235 -2.152 139 3HD2 LEU 23 HD23 LEU 23 3.796 2.644 -0.517 140 H GLY 24 HN GLY 24 6.024 6.568 -3.312 141 1HA GLY 24 HA2 GLY 24 4.618 8.239 -4.281 142 2HA GLY 24 HA1 GLY 24 3.388 7.014 -4.538 143 H ILE 25 HN ILE 25 3.963 6.057 -1.670 144 HA ILE 25 HA ILE 25 2.876 8.270 -0.115 145 HB ILE 25 HB ILE 25 1.105 6.750 0.846 146 1HG1 ILE 25 HG12 ILE 25 0.387 5.036 -1.070 147 2HG1 ILE 25 HG11 ILE 25 2.121 5.032 -1.369 148 1HG2 ILE 25 HG21 ILE 25 0.301 7.056 -1.954 149 2HG2 ILE 25 HG22 ILE 25 1.002 8.499 -1.224 150 3HG2 ILE 25 HG23 ILE 25 -0.402 7.731 -0.486 151 1HD1 ILE 25 HD11 ILE 25 0.949 4.532 1.345 152 2HD1 ILE 25 HD12 ILE 25 2.588 4.204 0.784 153 3HD1 ILE 25 HD13 ILE 25 1.239 3.247 0.172 154 H SER 26 HN SER 26 2.567 7.540 2.244 155 HA SER 26 HA SER 26 4.749 5.703 2.994 156 1HB SER 26 HB2 SER 26 3.863 8.096 4.609 157 2HB SER 26 HB1 SER 26 5.311 7.118 4.835 158 HG SER 26 HG SER 26 4.762 9.072 2.898 159 H ILE 27 HN ILE 27 4.331 4.192 4.547 160 HA ILE 27 HA ILE 27 1.584 4.129 5.623 161 HB ILE 27 HB ILE 27 1.929 1.632 5.775 162 1HG1 ILE 27 HG12 ILE 27 4.135 2.086 3.766 163 2HG1 ILE 27 HG11 ILE 27 4.465 1.864 5.481 164 1HG2 ILE 27 HG21 ILE 27 0.904 3.156 3.795 165 2HG2 ILE 27 HG22 ILE 27 0.856 1.394 3.811 166 3HG2 ILE 27 HG23 ILE 27 2.111 2.233 2.900 167 1HD1 ILE 27 HD11 ILE 27 2.745 -0.176 4.257 168 2HD1 ILE 27 HD12 ILE 27 4.081 -0.343 5.396 169 3HD1 ILE 27 HD13 ILE 27 4.409 -0.127 3.677 170 H THR 28 HN THR 28 1.271 3.162 7.719 171 HA THR 28 HA THR 28 3.662 3.029 9.416 172 HB THR 28 HB THR 28 2.740 4.457 11.088 173 HG1 THR 28 HG1 THR 28 0.640 4.253 11.243 174 1HG2 THR 28 HG21 THR 28 2.158 5.769 8.445 175 2HG2 THR 28 HG22 THR 28 3.732 5.704 9.238 176 3HG2 THR 28 HG23 THR 28 2.401 6.588 9.986 177 H GLY 29 HN GLY 29 3.214 2.036 11.568 178 1HA GLY 29 HA2 GLY 29 1.838 0.690 12.984 179 2HA GLY 29 HA1 GLY 29 0.856 0.275 11.588 180 H GLY 30 HN GLY 30 1.096 -1.952 12.349 181 1HA GLY 30 HA2 GLY 30 2.812 -3.487 10.857 182 2HA GLY 30 HA1 GLY 30 3.688 -3.185 12.346 183 H LYS 31 HN LYS 31 2.155 -5.530 10.928 184 HA LYS 31 HA LYS 31 0.081 -6.414 12.564 185 1HB LYS 31 HB2 LYS 31 1.206 -7.366 10.323 186 2HB LYS 31 HB1 LYS 31 1.948 -8.460 11.481 187 1HG LYS 31 HG2 LYS 31 -1.019 -8.017 11.401 188 2HG LYS 31 HG1 LYS 31 -0.216 -9.204 10.372 189 1HD LYS 31 HD2 LYS 31 0.856 -9.861 12.751 190 2HD LYS 31 HD1 LYS 31 -0.704 -9.235 13.288 191 1HE LYS 31 HE2 LYS 31 -1.852 -10.777 11.787 192 2HE LYS 31 HE1 LYS 31 -0.303 -11.378 11.201 193 1HZ LYS 31 HZ1 LYS 31 0.140 -11.999 13.604 194 2HZ LYS 31 HZ2 LYS 31 -1.014 -12.925 12.784 195 3HZ LYS 31 HZ3 LYS 31 -1.509 -11.735 13.880 196 H GLU 32 HN GLU 32 3.580 -6.766 12.955 197 HA GLU 32 HA GLU 32 3.541 -8.612 15.079 198 1HB GLU 32 HB2 GLU 32 5.827 -7.705 15.602 199 2HB GLU 32 HB1 GLU 32 5.604 -8.253 13.948 200 1HG GLU 32 HG2 GLU 32 5.827 -6.173 13.078 201 2HG GLU 32 HG1 GLU 32 5.110 -5.385 14.481 202 H HIS 33 HN HIS 33 3.088 -5.141 14.995 203 HA HIS 33 HA HIS 33 3.335 -4.783 17.838 204 1HB HIS 33 HB2 HIS 33 2.351 -2.989 15.616 205 2HB HIS 33 HB1 HIS 33 2.332 -2.504 17.306 206 HD1 HIS 33 HD1 HIS 33 5.203 -3.895 17.878 207 HD2 HIS 33 HD2 HIS 33 4.286 -1.096 14.945 208 HE1 HIS 33 HE1 HIS 33 7.376 -2.760 17.329 209 HE2 HIS 33 HE2 HIS 33 6.780 -1.007 15.622 210 H GLY 34 HN GLY 34 0.765 -5.563 15.617 211 1HA GLY 34 HA2 GLY 34 -1.189 -6.683 16.539 212 2HA GLY 34 HA1 GLY 34 -1.124 -5.561 17.886 213 H VAL 35 HN VAL 35 -0.592 -4.336 14.674 214 HA VAL 35 HA VAL 35 -3.373 -3.578 14.329 215 HB VAL 35 HB VAL 35 -2.510 -1.786 15.761 216 1HG1 VAL 35 HG11 VAL 35 -0.758 -0.279 14.987 217 2HG1 VAL 35 HG12 VAL 35 -0.522 -1.276 13.552 218 3HG1 VAL 35 HG13 VAL 35 -0.150 -1.926 15.148 219 1HG2 VAL 35 HG21 VAL 35 -4.211 -1.295 14.038 220 2HG2 VAL 35 HG22 VAL 35 -2.922 -0.825 12.930 221 3HG2 VAL 35 HG23 VAL 35 -3.194 0.098 14.408 222 HA PRO 36 HA PRO 36 -2.212 -4.328 10.108 223 1HB PRO 36 HB2 PRO 36 -4.488 -2.555 9.427 224 2HB PRO 36 HB1 PRO 36 -4.193 -4.236 8.971 225 1HG PRO 36 HG2 PRO 36 -6.053 -3.608 10.782 226 2HG PRO 36 HG1 PRO 36 -5.059 -5.067 10.951 227 1HD PRO 36 HD2 PRO 36 -4.818 -2.435 12.356 228 2HD PRO 36 HD1 PRO 36 -4.619 -4.079 12.999 229 H ILE 37 HN ILE 37 -1.380 -3.222 8.264 230 HA ILE 37 HA ILE 37 -0.215 -0.655 8.914 231 HB ILE 37 HB ILE 37 0.096 -2.170 6.320 232 1HG1 ILE 37 HG12 ILE 37 2.382 -2.719 7.666 233 2HG1 ILE 37 HG11 ILE 37 1.244 -2.688 9.008 234 1HG2 ILE 37 HG21 ILE 37 1.089 -0.194 5.858 235 2HG2 ILE 37 HG22 ILE 37 2.437 -0.922 6.730 236 3HG2 ILE 37 HG23 ILE 37 1.354 0.197 7.556 237 1HD1 ILE 37 HD11 ILE 37 0.217 -4.225 6.791 238 2HD1 ILE 37 HD12 ILE 37 0.458 -4.690 8.475 239 3HD1 ILE 37 HD13 ILE 37 1.790 -4.818 7.325 240 H LEU 38 HN LEU 38 -0.834 1.292 8.163 241 HA LEU 38 HA LEU 38 -2.801 1.402 5.975 242 1HB LEU 38 HB2 LEU 38 -2.907 3.093 8.471 243 2HB LEU 38 HB1 LEU 38 -4.052 3.115 7.144 244 HG LEU 38 HG LEU 38 -4.257 0.524 7.866 245 1HD1 LEU 38 HD11 LEU 38 -4.070 0.187 10.170 246 2HD1 LEU 38 HD12 LEU 38 -3.924 1.911 10.504 247 3HD1 LEU 38 HD13 LEU 38 -2.594 1.046 9.736 248 1HD2 LEU 38 HD21 LEU 38 -5.961 2.488 7.699 249 2HD2 LEU 38 HD22 LEU 38 -5.778 2.548 9.452 250 3HD2 LEU 38 HD23 LEU 38 -6.347 1.071 8.675 251 H ILE 39 HN ILE 39 -2.968 3.525 4.934 252 HA ILE 39 HA ILE 39 -0.336 4.775 4.694 253 HB ILE 39 HB ILE 39 -2.777 5.309 2.998 254 1HG1 ILE 39 HG12 ILE 39 -0.518 3.395 2.380 255 2HG1 ILE 39 HG11 ILE 39 -2.091 2.888 2.984 256 1HG2 ILE 39 HG21 ILE 39 -0.820 5.838 1.350 257 2HG2 ILE 39 HG22 ILE 39 0.111 6.038 2.834 258 3HG2 ILE 39 HG23 ILE 39 -1.320 7.029 2.550 259 1HD1 ILE 39 HD11 ILE 39 -2.336 2.572 0.731 260 2HD1 ILE 39 HD12 ILE 39 -1.345 3.971 0.316 261 3HD1 ILE 39 HD13 ILE 39 -2.987 4.201 0.919 262 H SER 40 HN SER 40 0.105 6.588 5.761 263 HA SER 40 HA SER 40 -2.121 8.350 6.555 264 1HB SER 40 HB2 SER 40 -0.392 7.167 8.235 265 2HB SER 40 HB1 SER 40 0.527 8.628 7.873 266 HG SER 40 HG SER 40 -1.199 8.531 9.674 267 H GLU 41 HN GLU 41 1.193 8.319 5.265 268 HA GLU 41 HA GLU 41 0.899 11.154 4.545 269 1HB GLU 41 HB2 GLU 41 2.987 9.882 5.764 270 2HB GLU 41 HB1 GLU 41 3.497 9.857 4.083 271 1HG GLU 41 HG2 GLU 41 3.504 12.198 3.932 272 2HG GLU 41 HG1 GLU 41 2.587 12.377 5.428 273 H ILE 42 HN ILE 42 1.366 11.869 2.429 274 HA ILE 42 HA ILE 42 1.478 9.781 0.358 275 HB ILE 42 HB ILE 42 -0.264 12.242 0.154 276 1HG1 ILE 42 HG12 ILE 42 -1.072 9.380 0.734 277 2HG1 ILE 42 HG11 ILE 42 -1.147 10.719 1.874 278 1HG2 ILE 42 HG21 ILE 42 -0.627 9.849 -1.562 279 2HG2 ILE 42 HG22 ILE 42 0.763 10.884 -1.888 280 3HG2 ILE 42 HG23 ILE 42 -0.867 11.557 -1.930 281 1HD1 ILE 42 HD11 ILE 42 -3.074 9.873 -0.054 282 2HD1 ILE 42 HD12 ILE 42 -2.588 11.534 -0.392 283 3HD1 ILE 42 HD13 ILE 42 -3.214 11.105 1.199 284 H HIS 43 HN HIS 43 3.171 10.094 -0.944 285 HA HIS 43 HA HIS 43 4.709 12.503 -0.860 286 1HB HIS 43 HB2 HIS 43 4.932 9.865 -2.215 287 2HB HIS 43 HB1 HIS 43 5.808 11.209 -2.935 288 HD1 HIS 43 HD1 HIS 43 8.148 11.236 -2.170 289 HD2 HIS 43 HD2 HIS 43 5.578 9.901 0.812 290 HE1 HIS 43 HE1 HIS 43 9.614 10.755 -0.184 291 HE2 HIS 43 HE2 HIS 43 8.041 9.928 1.603 292 HA PRO 44 HA PRO 44 2.214 14.525 -4.014 293 1HB PRO 44 HB2 PRO 44 3.629 16.853 -4.021 294 2HB PRO 44 HB1 PRO 44 2.408 16.461 -2.806 295 1HG PRO 44 HG2 PRO 44 5.388 16.242 -2.640 296 2HG PRO 44 HG1 PRO 44 4.238 16.829 -1.424 297 1HD PRO 44 HD2 PRO 44 5.308 14.348 -1.333 298 2HD PRO 44 HD1 PRO 44 3.669 14.700 -0.752 299 H GLY 45 HN GLY 45 2.402 14.692 -6.188 300 1HA GLY 45 HA2 GLY 45 3.383 14.857 -8.279 301 2HA GLY 45 HA1 GLY 45 4.929 15.138 -7.496 302 H GLN 46 HN GLN 46 2.946 12.357 -6.759 303 HA GLN 46 HA GLN 46 4.789 10.630 -8.273 304 1HB GLN 46 HB2 GLN 46 4.257 10.716 -5.408 305 2HB GLN 46 HB1 GLN 46 3.947 9.125 -6.087 306 1HG GLN 46 HG2 GLN 46 6.219 9.305 -5.248 307 2HG GLN 46 HG1 GLN 46 6.200 9.048 -6.991 308 1HE2 GLN 46 HE21 GLN 46 5.930 11.897 -4.866 309 2HE2 GLN 46 HE22 GLN 46 7.165 12.807 -5.660 310 HA PRO 47 HA PRO 47 1.450 8.250 -9.947 311 1HB PRO 47 HB2 PRO 47 2.125 5.947 -8.175 312 2HB PRO 47 HB1 PRO 47 1.903 5.989 -9.928 313 1HG PRO 47 HG2 PRO 47 4.338 5.841 -8.892 314 2HG PRO 47 HG1 PRO 47 4.020 6.865 -10.306 315 1HD PRO 47 HD2 PRO 47 4.423 7.645 -7.450 316 2HD PRO 47 HD1 PRO 47 4.941 8.477 -8.931 317 H ALA 48 HN ALA 48 1.763 8.059 -6.426 318 HA ALA 48 HA ALA 48 -0.815 7.114 -5.830 319 1HB ALA 48 HB1 ALA 48 -0.378 8.352 -3.603 320 2HB ALA 48 HB2 ALA 48 1.216 8.683 -4.280 321 3HB ALA 48 HB3 ALA 48 0.682 7.017 -4.053 322 H ASP 49 HN ASP 49 0.439 10.433 -6.101 323 HA ASP 49 HA ASP 49 -2.032 11.699 -5.490 324 1HB ASP 49 HB2 ASP 49 0.302 12.729 -5.374 325 2HB ASP 49 HB1 ASP 49 0.194 12.920 -7.121 326 H ARG 50 HN ARG 50 -0.437 10.774 -8.505 327 HA ARG 50 HA ARG 50 -2.267 12.000 -10.274 328 1HB ARG 50 HB2 ARG 50 -0.429 9.632 -10.637 329 2HB ARG 50 HB1 ARG 50 -1.355 10.355 -11.945 330 1HG ARG 50 HG2 ARG 50 0.012 12.468 -10.703 331 2HG ARG 50 HG1 ARG 50 1.170 11.143 -10.850 332 1HD ARG 50 HD2 ARG 50 1.105 11.157 -13.140 333 2HD ARG 50 HD1 ARG 50 -0.546 11.773 -13.196 334 HE ARG 50 HE ARG 50 1.875 13.309 -13.157 335 1HH1 ARG 50 HH11 ARG 50 -1.532 13.353 -12.351 336 2HH1 ARG 50 HH12 ARG 50 -1.665 15.075 -12.462 337 1HH2 ARG 50 HH21 ARG 50 1.698 15.579 -13.303 338 2HH2 ARG 50 HH22 ARG 50 0.172 16.341 -13.004 339 H CYS 51 HN CYS 51 -2.301 8.920 -8.581 340 HA CYS 51 HA CYS 51 -4.363 7.716 -10.126 341 1HB CYS 51 HB2 CYS 51 -2.640 6.758 -8.299 342 2HB CYS 51 HB1 CYS 51 -4.062 6.941 -7.278 343 HG CYS 51 HG CYS 51 -5.246 5.396 -9.243 344 H GLY 52 HN GLY 52 -4.376 9.951 -7.427 345 1HA GLY 52 HA2 GLY 52 -6.150 11.247 -6.675 346 2HA GLY 52 HA1 GLY 52 -7.214 10.367 -7.759 347 H GLY 53 HN GLY 53 -7.217 7.844 -6.996 348 1HA GLY 53 HA2 GLY 53 -8.832 7.711 -4.752 349 2HA GLY 53 HA1 GLY 53 -7.977 6.340 -5.439 350 H LEU 54 HN LEU 54 -5.326 7.620 -4.884 351 HA LEU 54 HA LEU 54 -4.872 6.469 -2.347 352 1HB LEU 54 HB2 LEU 54 -3.290 7.409 -4.444 353 2HB LEU 54 HB1 LEU 54 -2.874 8.447 -3.094 354 HG LEU 54 HG LEU 54 -1.327 6.643 -3.097 355 1HD1 LEU 54 HD11 LEU 54 -2.394 7.353 -0.904 356 2HD1 LEU 54 HD12 LEU 54 -1.555 5.802 -0.922 357 3HD1 LEU 54 HD13 LEU 54 -3.316 5.852 -0.994 358 1HD2 LEU 54 HD21 LEU 54 -2.840 5.150 -4.483 359 2HD2 LEU 54 HD22 LEU 54 -3.580 4.659 -2.958 360 3HD2 LEU 54 HD23 LEU 54 -1.866 4.357 -3.245 361 H HIS 55 HN HIS 55 -6.077 7.303 -0.733 362 HA HIS 55 HA HIS 55 -5.714 10.157 -0.089 363 1HB HIS 55 HB2 HIS 55 -7.928 10.005 1.062 364 2HB HIS 55 HB1 HIS 55 -8.024 9.739 -0.675 365 HD1 HIS 55 HD1 HIS 55 -7.614 7.497 2.399 366 HD2 HIS 55 HD2 HIS 55 -9.618 7.627 -1.241 367 HE1 HIS 55 HE1 HIS 55 -8.986 5.397 2.311 368 HE2 HIS 55 HE2 HIS 55 -10.117 5.450 0.064 369 H VAL 56 HN VAL 56 -5.702 10.712 2.196 370 HA VAL 56 HA VAL 56 -4.059 8.965 3.732 371 HB VAL 56 HB VAL 56 -5.592 11.374 4.731 372 1HG1 VAL 56 HG11 VAL 56 -4.812 10.574 6.688 373 2HG1 VAL 56 HG12 VAL 56 -3.295 11.298 6.157 374 3HG1 VAL 56 HG13 VAL 56 -3.583 9.575 5.913 375 1HG2 VAL 56 HG21 VAL 56 -2.920 11.171 3.367 376 2HG2 VAL 56 HG22 VAL 56 -3.369 12.544 4.378 377 3HG2 VAL 56 HG23 VAL 56 -4.302 12.175 2.928 378 H GLY 57 HN GLY 57 -4.614 7.410 5.159 379 1HA GLY 57 HA2 GLY 57 -5.974 6.511 6.908 380 2HA GLY 57 HA1 GLY 57 -7.348 7.384 6.247 381 H ASP 58 HN ASP 58 -5.033 5.297 4.560 382 HA ASP 58 HA ASP 58 -7.277 3.580 3.735 383 1HB ASP 58 HB2 ASP 58 -5.069 4.768 2.287 384 2HB ASP 58 HB1 ASP 58 -5.050 3.017 2.110 385 H ALA 59 HN ALA 59 -7.341 1.571 4.564 386 HA ALA 59 HA ALA 59 -4.975 0.535 5.940 387 1HB ALA 59 HB1 ALA 59 -7.547 -0.946 5.987 388 2HB ALA 59 HB2 ALA 59 -7.477 0.610 6.814 389 3HB ALA 59 HB3 ALA 59 -6.367 -0.682 7.272 390 H ILE 60 HN ILE 60 -3.732 -1.029 5.137 391 HA ILE 60 HA ILE 60 -4.297 -2.158 2.552 392 HB ILE 60 HB ILE 60 -2.057 -2.891 4.441 393 1HG1 ILE 60 HG12 ILE 60 -1.629 -1.065 2.123 394 2HG1 ILE 60 HG11 ILE 60 -2.379 -0.391 3.566 395 1HG2 ILE 60 HG21 ILE 60 -2.725 -3.569 1.635 396 2HG2 ILE 60 HG22 ILE 60 -1.943 -4.538 2.883 397 3HG2 ILE 60 HG23 ILE 60 -1.027 -3.299 2.026 398 1HD1 ILE 60 HD11 ILE 60 -0.487 -0.581 4.804 399 2HD1 ILE 60 HD12 ILE 60 0.235 -0.388 3.205 400 3HD1 ILE 60 HD13 ILE 60 0.086 -1.995 3.918 401 H LEU 61 HN LEU 61 -4.790 -4.253 2.027 402 HA LEU 61 HA LEU 61 -5.279 -6.127 4.238 403 1HB LEU 61 HB2 LEU 61 -7.125 -5.460 1.955 404 2HB LEU 61 HB1 LEU 61 -7.290 -6.922 2.908 405 HG LEU 61 HG LEU 61 -7.355 -4.166 4.129 406 1HD1 LEU 61 HD11 LEU 61 -9.718 -4.196 4.060 407 2HD1 LEU 61 HD12 LEU 61 -9.752 -5.850 3.450 408 3HD1 LEU 61 HD13 LEU 61 -9.168 -4.543 2.421 409 1HD2 LEU 61 HD21 LEU 61 -7.836 -5.172 6.096 410 2HD2 LEU 61 HD22 LEU 61 -6.957 -6.512 5.362 411 3HD2 LEU 61 HD23 LEU 61 -8.720 -6.493 5.332 412 H ALA 62 HN ALA 62 -5.023 -5.856 0.674 413 HA ALA 62 HA ALA 62 -3.415 -8.316 0.706 414 1HB ALA 62 HB1 ALA 62 -5.306 -7.863 -1.558 415 2HB ALA 62 HB2 ALA 62 -5.899 -8.573 -0.057 416 3HB ALA 62 HB3 ALA 62 -4.607 -9.366 -0.957 417 H VAL 63 HN VAL 63 -1.788 -8.459 -0.819 418 HA VAL 63 HA VAL 63 -1.253 -5.994 -2.354 419 HB VAL 63 HB VAL 63 0.817 -7.941 -1.316 420 1HG1 VAL 63 HG11 VAL 63 2.416 -6.196 -1.887 421 2HG1 VAL 63 HG12 VAL 63 1.107 -5.167 -2.467 422 3HG1 VAL 63 HG13 VAL 63 1.482 -6.672 -3.306 423 1HG2 VAL 63 HG21 VAL 63 1.314 -5.807 0.162 424 2HG2 VAL 63 HG22 VAL 63 0.152 -7.032 0.671 425 3HG2 VAL 63 HG23 VAL 63 -0.413 -5.535 -0.071 426 H ASN 64 HN ASN 64 -1.540 -6.299 -4.464 427 HA ASN 64 HA ASN 64 -1.704 -7.269 -6.513 428 1HB ASN 64 HB2 ASN 64 0.880 -7.488 -5.745 429 2HB ASN 64 HB1 ASN 64 0.498 -9.187 -5.999 430 1HD2 ASN 64 HD21 ASN 64 1.252 -6.209 -7.475 431 2HD2 ASN 64 HD22 ASN 64 1.100 -6.721 -9.119 432 H GLY 65 HN GLY 65 -3.329 -8.431 -4.443 433 1HA GLY 65 HA2 GLY 65 -4.928 -10.142 -4.630 434 2HA GLY 65 HA1 GLY 65 -3.850 -11.006 -5.711 435 H VAL 66 HN VAL 66 -1.691 -10.422 -3.493 436 HA VAL 66 HA VAL 66 -2.164 -12.931 -2.100 437 HB VAL 66 HB VAL 66 0.240 -11.118 -1.863 438 1HG1 VAL 66 HG11 VAL 66 1.380 -13.175 -1.151 439 2HG1 VAL 66 HG12 VAL 66 -0.149 -14.048 -1.256 440 3HG1 VAL 66 HG13 VAL 66 0.048 -12.752 -0.075 441 1HG2 VAL 66 HG21 VAL 66 0.340 -11.589 -4.106 442 2HG2 VAL 66 HG22 VAL 66 -0.508 -13.126 -3.934 443 3HG2 VAL 66 HG23 VAL 66 1.183 -12.992 -3.450 444 H ASN 67 HN ASN 67 -2.641 -13.158 0.010 445 HA ASN 67 HA ASN 67 -3.669 -10.939 1.456 446 1HB ASN 67 HB2 ASN 67 -3.936 -12.608 3.322 447 2HB ASN 67 HB1 ASN 67 -4.695 -13.075 1.805 448 1HD2 ASN 67 HD21 ASN 67 -2.559 -13.982 4.252 449 2HD2 ASN 67 HD22 ASN 67 -1.932 -15.414 3.515 450 H LEU 68 HN LEU 68 -2.812 -9.719 3.058 451 HA LEU 68 HA LEU 68 -0.060 -10.352 3.914 452 1HB LEU 68 HB2 LEU 68 -0.430 -8.340 2.356 453 2HB LEU 68 HB1 LEU 68 -1.160 -7.558 3.745 454 HG LEU 68 HG LEU 68 1.426 -8.659 4.433 455 1HD1 LEU 68 HD11 LEU 68 2.842 -7.319 3.064 456 2HD1 LEU 68 HD12 LEU 68 1.459 -6.565 2.272 457 3HD1 LEU 68 HD13 LEU 68 1.810 -8.271 1.998 458 1HD2 LEU 68 HD21 LEU 68 1.008 -5.747 4.346 459 2HD2 LEU 68 HD22 LEU 68 1.562 -6.780 5.662 460 3HD2 LEU 68 HD23 LEU 68 -0.159 -6.655 5.307 461 H ARG 69 HN ARG 69 -2.913 -10.754 5.120 462 HA ARG 69 HA ARG 69 -3.000 -9.124 7.447 463 1HB ARG 69 HB2 ARG 69 -4.964 -10.313 6.441 464 2HB ARG 69 HB1 ARG 69 -4.303 -11.821 7.057 465 1HG ARG 69 HG2 ARG 69 -4.736 -11.264 9.263 466 2HG ARG 69 HG1 ARG 69 -4.818 -9.536 8.916 467 1HD ARG 69 HD2 ARG 69 -6.871 -10.218 7.453 468 2HD ARG 69 HD1 ARG 69 -6.868 -11.666 8.458 469 HE ARG 69 HE ARG 69 -7.695 -10.421 10.184 470 1HH1 ARG 69 HH11 ARG 69 -6.355 -8.231 7.798 471 2HH1 ARG 69 HH12 ARG 69 -6.961 -6.811 8.579 472 1HH2 ARG 69 HH21 ARG 69 -8.495 -8.544 11.208 473 2HH2 ARG 69 HH22 ARG 69 -8.177 -6.988 10.517 474 H ASP 70 HN ASP 70 -1.497 -12.213 6.719 475 HA ASP 70 HA ASP 70 -0.710 -12.540 9.520 476 1HB ASP 70 HB2 ASP 70 -1.089 -14.360 7.239 477 2HB ASP 70 HB1 ASP 70 0.312 -14.725 8.243 478 H THR 71 HN THR 71 0.490 -10.701 7.241 479 HA THR 71 HA THR 71 3.281 -11.575 7.501 480 HB THR 71 HB THR 71 2.605 -9.269 5.763 481 HG1 THR 71 HG1 THR 71 1.840 -11.919 5.091 482 1HG2 THR 71 HG21 THR 71 4.746 -9.823 5.337 483 2HG2 THR 71 HG22 THR 71 3.966 -10.913 4.191 484 3HG2 THR 71 HG23 THR 71 4.510 -11.521 5.754 485 H LYS 72 HN LYS 72 4.919 -9.836 7.828 486 HA LYS 72 HA LYS 72 3.993 -7.992 9.908 487 1HB LYS 72 HB2 LYS 72 6.565 -9.341 9.281 488 2HB LYS 72 HB1 LYS 72 6.669 -7.748 10.018 489 1HG LYS 72 HG2 LYS 72 6.753 -9.315 11.778 490 2HG LYS 72 HG1 LYS 72 5.141 -8.600 11.825 491 1HD LYS 72 HD2 LYS 72 4.591 -10.811 12.037 492 2HD LYS 72 HD1 LYS 72 4.563 -10.666 10.279 493 1HE LYS 72 HE2 LYS 72 7.230 -11.243 11.074 494 2HE LYS 72 HE1 LYS 72 6.160 -12.372 11.904 495 1HZ LYS 72 HZ1 LYS 72 5.383 -13.226 9.905 496 2HZ LYS 72 HZ2 LYS 72 7.029 -12.993 9.593 497 3HZ LYS 72 HZ3 LYS 72 5.894 -11.890 8.999 498 H HIS 73 HN HIS 73 4.951 -5.796 9.994 499 HA HIS 73 HA HIS 73 4.456 -4.316 7.696 500 1HB HIS 73 HB2 HIS 73 4.554 -3.389 10.012 501 2HB HIS 73 HB1 HIS 73 6.308 -3.511 9.951 502 HD1 HIS 73 HD1 HIS 73 7.570 -1.759 8.548 503 HD2 HIS 73 HD2 HIS 73 3.442 -1.290 8.503 504 HE1 HIS 73 HE1 HIS 73 7.163 0.517 7.560 505 HE2 HIS 73 HE2 HIS 73 4.663 0.819 7.639 506 H LYS 74 HN LYS 74 7.634 -5.272 9.031 507 HA LYS 74 HA LYS 74 9.195 -4.130 6.994 508 1HB LYS 74 HB2 LYS 74 9.655 -6.291 9.011 509 2HB LYS 74 HB1 LYS 74 10.825 -6.074 7.717 510 1HG LYS 74 HG2 LYS 74 9.969 -3.735 9.365 511 2HG LYS 74 HG1 LYS 74 11.173 -4.870 9.980 512 1HD LYS 74 HD2 LYS 74 12.515 -4.495 7.934 513 2HD LYS 74 HD1 LYS 74 11.335 -3.291 7.412 514 1HE LYS 74 HE2 LYS 74 12.802 -1.889 8.428 515 2HE LYS 74 HE1 LYS 74 11.845 -2.327 9.843 516 1HZ LYS 74 HZ1 LYS 74 14.132 -2.531 10.405 517 2HZ LYS 74 HZ2 LYS 74 14.466 -3.461 9.031 518 3HZ LYS 74 HZ3 LYS 74 13.514 -4.101 10.275 519 H GLU 75 HN GLU 75 7.723 -7.342 7.283 520 HA GLU 75 HA GLU 75 8.889 -8.454 4.958 521 1HB GLU 75 HB2 GLU 75 6.324 -9.147 6.400 522 2HB GLU 75 HB1 GLU 75 7.014 -10.105 5.097 523 1HG GLU 75 HG2 GLU 75 9.137 -10.085 6.641 524 2HG GLU 75 HG1 GLU 75 7.948 -9.752 7.897 525 H ALA 76 HN ALA 76 5.944 -6.577 5.508 526 HA ALA 76 HA ALA 76 4.789 -6.947 2.964 527 1HB ALA 76 HB1 ALA 76 3.414 -6.079 4.693 528 2HB ALA 76 HB2 ALA 76 3.570 -4.808 3.481 529 3HB ALA 76 HB3 ALA 76 4.505 -4.722 4.973 530 H VAL 77 HN VAL 77 7.219 -4.682 4.151 531 HA VAL 77 HA VAL 77 7.230 -2.917 1.953 532 HB VAL 77 HB VAL 77 9.629 -3.643 3.645 533 1HG1 VAL 77 HG11 VAL 77 8.938 -1.098 2.181 534 2HG1 VAL 77 HG12 VAL 77 10.094 -2.311 1.631 535 3HG1 VAL 77 HG13 VAL 77 10.402 -1.406 3.113 536 1HG2 VAL 77 HG21 VAL 77 7.185 -2.118 4.297 537 2HG2 VAL 77 HG22 VAL 77 8.714 -1.376 4.772 538 3HG2 VAL 77 HG23 VAL 77 8.298 -2.989 5.353 539 H THR 78 HN THR 78 8.928 -5.955 2.574 540 HA THR 78 HA THR 78 10.624 -5.910 0.329 541 HB THR 78 HB THR 78 9.589 -8.539 1.239 542 HG1 THR 78 HG1 THR 78 11.097 -6.861 2.962 543 1HG2 THR 78 HG21 THR 78 11.526 -9.186 0.412 544 2HG2 THR 78 HG22 THR 78 12.353 -8.267 1.669 545 3HG2 THR 78 HG23 THR 78 11.994 -7.513 0.115 546 H ILE 79 HN ILE 79 7.337 -7.158 0.787 547 HA ILE 79 HA ILE 79 7.011 -8.421 -1.686 548 HB ILE 79 HB ILE 79 4.829 -6.946 -0.203 549 1HG1 ILE 79 HG12 ILE 79 5.887 -8.400 1.396 550 2HG1 ILE 79 HG11 ILE 79 4.382 -9.157 0.890 551 1HG2 ILE 79 HG21 ILE 79 4.601 -9.418 -1.904 552 2HG2 ILE 79 HG22 ILE 79 4.401 -7.788 -2.545 553 3HG2 ILE 79 HG23 ILE 79 3.305 -8.385 -1.300 554 1HD1 ILE 79 HD11 ILE 79 5.693 -10.575 -0.670 555 2HD1 ILE 79 HD12 ILE 79 6.076 -10.829 1.032 556 3HD1 ILE 79 HD13 ILE 79 7.164 -9.886 0.015 557 H LEU 80 HN LEU 80 6.383 -5.057 -0.726 558 HA LEU 80 HA LEU 80 5.310 -4.133 -3.130 559 1HB LEU 80 HB2 LEU 80 6.654 -2.890 -0.800 560 2HB LEU 80 HB1 LEU 80 6.585 -1.931 -2.266 561 HG LEU 80 HG LEU 80 4.050 -3.176 -1.340 562 1HD1 LEU 80 HD11 LEU 80 5.525 -1.020 0.118 563 2HD1 LEU 80 HD12 LEU 80 4.632 -2.398 0.761 564 3HD1 LEU 80 HD13 LEU 80 3.761 -1.028 0.073 565 1HD2 LEU 80 HD21 LEU 80 4.860 -0.583 -2.640 566 2HD2 LEU 80 HD22 LEU 80 3.215 -0.927 -2.104 567 3HD2 LEU 80 HD23 LEU 80 3.961 -1.922 -3.354 568 H SER 81 HN SER 81 8.692 -4.472 -2.119 569 HA SER 81 HA SER 81 9.869 -3.115 -4.282 570 1HB SER 81 HB2 SER 81 11.199 -5.487 -3.005 571 2HB SER 81 HB1 SER 81 11.916 -3.978 -3.563 572 HG SER 81 HG SER 81 11.180 -4.568 -1.125 573 H GLN 82 HN GLN 82 8.790 -6.462 -3.923 574 HA GLN 82 HA GLN 82 9.933 -7.465 -6.312 575 1HB GLN 82 HB2 GLN 82 7.433 -8.469 -4.933 576 2HB GLN 82 HB1 GLN 82 8.455 -9.369 -6.043 577 1HG GLN 82 HG2 GLN 82 9.132 -8.465 -3.257 578 2HG GLN 82 HG1 GLN 82 8.908 -10.116 -3.828 579 1HE2 GLN 82 HE21 GLN 82 11.115 -7.616 -3.288 580 2HE2 GLN 82 HE22 GLN 82 12.494 -8.338 -4.037 581 H GLN 83 HN GLN 83 7.078 -5.578 -5.696 582 HA GLN 83 HA GLN 83 5.608 -6.201 -8.030 583 1HB GLN 83 HB2 GLN 83 5.539 -3.537 -6.621 584 2HB GLN 83 HB1 GLN 83 4.246 -4.334 -7.505 585 1HG GLN 83 HG2 GLN 83 5.389 -5.167 -4.849 586 2HG GLN 83 HG1 GLN 83 3.812 -4.439 -5.141 587 1HE2 GLN 83 HE21 GLN 83 5.619 -7.322 -5.014 588 2HE2 GLN 83 HE22 GLN 83 4.365 -8.406 -5.499 589 H ARG 84 HN ARG 84 5.791 -5.531 -10.095 590 HA ARG 84 HA ARG 84 7.699 -3.360 -10.681 591 1HB ARG 84 HB2 ARG 84 8.108 -5.978 -11.300 592 2HB ARG 84 HB1 ARG 84 7.303 -5.418 -12.758 593 1HG ARG 84 HG2 ARG 84 9.056 -4.152 -13.406 594 2HG ARG 84 HG1 ARG 84 9.494 -3.716 -11.754 595 1HD ARG 84 HD2 ARG 84 11.161 -5.179 -11.890 596 2HD ARG 84 HD1 ARG 84 9.955 -6.463 -11.928 597 HE ARG 84 HE ARG 84 10.379 -6.756 -14.159 598 1HH1 ARG 84 HH11 ARG 84 11.766 -3.696 -13.151 599 2HH1 ARG 84 HH12 ARG 84 12.611 -3.447 -14.642 600 1HH2 ARG 84 HH21 ARG 84 11.495 -6.417 -16.123 601 2HH2 ARG 84 HH22 ARG 84 12.456 -4.991 -16.328 602 H GLY 85 HN GLY 85 7.176 -1.916 -12.302 603 1HA GLY 85 HA2 GLY 85 5.819 -0.674 -13.671 604 2HA GLY 85 HA1 GLY 85 5.163 -2.210 -14.217 605 H GLU 86 HN GLU 86 3.159 -2.820 -13.588 606 HA GLU 86 HA GLU 86 1.610 -0.846 -12.104 607 1HB GLU 86 HB2 GLU 86 -0.357 -2.239 -12.829 608 2HB GLU 86 HB1 GLU 86 0.568 -1.520 -14.138 609 1HG GLU 86 HG2 GLU 86 1.355 -3.533 -14.875 610 2HG GLU 86 HG1 GLU 86 1.235 -4.288 -13.287 611 H ILE 87 HN ILE 87 1.044 -1.084 -10.059 612 HA ILE 87 HA ILE 87 1.310 -3.753 -8.837 613 HB ILE 87 HB ILE 87 1.564 -1.168 -7.317 614 1HG1 ILE 87 HG12 ILE 87 3.782 -2.771 -8.619 615 2HG1 ILE 87 HG11 ILE 87 3.288 -1.138 -9.053 616 1HG2 ILE 87 HG21 ILE 87 2.423 -4.003 -6.759 617 2HG2 ILE 87 HG22 ILE 87 1.111 -3.120 -5.979 618 3HG2 ILE 87 HG23 ILE 87 2.783 -2.619 -5.728 619 1HD1 ILE 87 HD11 ILE 87 4.372 -1.888 -6.352 620 2HD1 ILE 87 HD12 ILE 87 4.087 -0.268 -6.988 621 3HD1 ILE 87 HD13 ILE 87 5.357 -1.276 -7.680 622 H GLU 88 HN GLU 88 -0.509 -4.610 -8.095 623 HA GLU 88 HA GLU 88 -2.871 -2.918 -7.793 624 1HB GLU 88 HB2 GLU 88 -2.860 -5.108 -9.108 625 2HB GLU 88 HB1 GLU 88 -2.756 -5.923 -7.553 626 1HG GLU 88 HG2 GLU 88 -4.883 -3.965 -7.586 627 2HG GLU 88 HG1 GLU 88 -5.059 -5.146 -8.883 628 H PHE 89 HN PHE 89 -3.558 -2.258 -5.862 629 HA PHE 89 HA PHE 89 -2.756 -3.798 -3.486 630 1HB PHE 89 HB2 PHE 89 -2.129 -1.051 -4.159 631 2HB PHE 89 HB1 PHE 89 -3.026 -1.142 -2.648 632 HD1 PHE 89 HD1 PHE 89 0.004 -2.338 -4.396 633 HD2 PHE 89 HD2 PHE 89 -2.006 -1.910 -0.668 634 HE1 PHE 89 HE1 PHE 89 2.068 -2.966 -3.215 635 HE2 PHE 89 HE2 PHE 89 0.056 -2.536 0.519 636 HZ PHE 89 HZ PHE 89 2.096 -3.064 -0.754 637 H GLU 90 HN GLU 90 -4.344 -4.322 -2.144 638 HA GLU 90 HA GLU 90 -7.011 -3.194 -2.633 639 1HB GLU 90 HB2 GLU 90 -6.656 -5.672 -2.781 640 2HB GLU 90 HB1 GLU 90 -6.251 -5.672 -1.072 641 1HG GLU 90 HG2 GLU 90 -8.644 -4.445 -0.985 642 2HG GLU 90 HG1 GLU 90 -8.865 -5.466 -2.405 643 H VAL 91 HN VAL 91 -7.613 -1.613 -1.313 644 HA VAL 91 HA VAL 91 -6.992 -1.821 1.546 645 HB VAL 91 HB VAL 91 -6.573 0.658 1.606 646 1HG1 VAL 91 HG11 VAL 91 -4.790 -1.416 0.578 647 2HG1 VAL 91 HG12 VAL 91 -4.539 -0.239 1.866 648 3HG1 VAL 91 HG13 VAL 91 -4.274 0.223 0.185 649 1HG2 VAL 91 HG21 VAL 91 -7.550 0.758 -0.878 650 2HG2 VAL 91 HG22 VAL 91 -5.834 0.627 -1.262 651 3HG2 VAL 91 HG23 VAL 91 -6.414 1.952 -0.252 652 H VAL 92 HN VAL 92 -8.263 -0.072 2.802 653 HA VAL 92 HA VAL 92 -10.884 0.414 1.561 654 HB VAL 92 HB VAL 92 -12.010 -0.188 3.685 655 1HG1 VAL 92 HG11 VAL 92 -11.232 -1.820 1.654 656 2HG1 VAL 92 HG12 VAL 92 -12.340 -2.279 2.946 657 3HG1 VAL 92 HG13 VAL 92 -10.631 -2.695 3.061 658 1HG2 VAL 92 HG21 VAL 92 -10.960 -1.001 5.531 659 2HG2 VAL 92 HG22 VAL 92 -9.647 -0.003 4.907 660 3HG2 VAL 92 HG23 VAL 92 -9.656 -1.740 4.602 661 H TYR 93 HN TYR 93 -12.045 2.209 2.365 662 HA TYR 93 HA TYR 93 -10.402 4.353 3.304 663 1HB TYR 93 HB2 TYR 93 -12.680 4.257 1.832 664 2HB TYR 93 HB1 TYR 93 -13.342 4.694 3.400 665 HD1 TYR 93 HD1 TYR 93 -11.088 6.433 4.415 666 HD2 TYR 93 HD2 TYR 93 -12.977 6.224 0.603 667 HE1 TYR 93 HE1 TYR 93 -10.505 8.784 3.998 668 HE2 TYR 93 HE2 TYR 93 -12.391 8.569 0.178 669 HH TYR 93 HH TYR 93 -11.849 10.607 1.495 670 H VAL 94 HN VAL 94 -9.908 4.815 5.335 671 HA VAL 94 HA VAL 94 -11.758 3.983 7.478 672 HB VAL 94 HB VAL 94 -8.749 4.121 7.725 673 1HG1 VAL 94 HG11 VAL 94 -9.547 2.525 9.720 674 2HG1 VAL 94 HG12 VAL 94 -10.982 3.541 9.576 675 3HG1 VAL 94 HG13 VAL 94 -9.409 4.275 9.885 676 1HG2 VAL 94 HG21 VAL 94 -9.246 2.332 6.205 677 2HG2 VAL 94 HG22 VAL 94 -10.532 1.733 7.253 678 3HG2 VAL 94 HG23 VAL 94 -8.850 1.631 7.774 679 H ALA 95 HN ALA 95 -12.383 5.544 8.864 680 HA ALA 95 HA ALA 95 -10.950 8.121 8.766 681 1HB ALA 95 HB1 ALA 95 -13.307 8.990 9.526 682 2HB ALA 95 HB2 ALA 95 -13.866 7.498 8.770 683 3HB ALA 95 HB3 ALA 95 -12.967 8.684 7.824 Start of MODEL 7 1 HT1 PRO 9 HT2 PRO 9 -16.851 -2.029 3.274 2 HT2 PRO 9 HT1 PRO 9 -15.456 -1.276 3.719 3 HA PRO 9 HA PRO 9 -16.977 -1.099 1.418 4 1HB PRO 9 HB2 PRO 9 -15.904 1.509 1.637 5 2HB PRO 9 HB1 PRO 9 -17.610 1.055 1.536 6 1HG PRO 9 HG2 PRO 9 -15.945 1.640 3.927 7 2HG PRO 9 HG1 PRO 9 -17.672 1.932 3.658 8 1HD PRO 9 HD2 PRO 9 -16.859 -0.054 5.243 9 2HD PRO 9 HD1 PRO 9 -18.250 -0.272 4.163 10 H ILE 10 HN ILE 10 -15.437 -2.286 0.406 11 HA ILE 10 HA ILE 10 -12.617 -1.577 0.736 12 HB ILE 10 HB ILE 10 -13.849 -3.915 -0.738 13 1HG1 ILE 10 HG12 ILE 10 -12.362 -3.947 1.889 14 2HG1 ILE 10 HG11 ILE 10 -14.116 -3.851 1.790 15 1HG2 ILE 10 HG21 ILE 10 -10.992 -3.171 -0.153 16 2HG2 ILE 10 HG22 ILE 10 -11.740 -3.484 -1.719 17 3HG2 ILE 10 HG23 ILE 10 -11.485 -4.808 -0.583 18 1HD1 ILE 10 HD11 ILE 10 -12.331 -6.101 0.928 19 2HD1 ILE 10 HD12 ILE 10 -14.023 -5.986 0.443 20 3HD1 ILE 10 HD13 ILE 10 -13.602 -6.114 2.150 21 H ARG 11 HN ARG 11 -11.325 -0.846 -0.898 22 HA ARG 11 HA ARG 11 -12.648 -0.239 -3.463 23 1HB ARG 11 HB2 ARG 11 -12.001 1.683 -1.735 24 2HB ARG 11 HB1 ARG 11 -10.428 1.500 -2.499 25 1HG ARG 11 HG2 ARG 11 -11.081 2.593 -4.317 26 2HG ARG 11 HG1 ARG 11 -12.562 1.644 -4.453 27 1HD ARG 11 HD2 ARG 11 -13.373 3.114 -2.470 28 2HD ARG 11 HD1 ARG 11 -12.072 4.195 -2.967 29 HE ARG 11 HE ARG 11 -14.566 3.739 -4.321 30 1HH1 ARG 11 HH11 ARG 11 -11.243 4.777 -4.734 31 2HH1 ARG 11 HH12 ARG 11 -11.582 5.716 -6.148 32 1HH2 ARG 11 HH21 ARG 11 -15.007 4.980 -6.185 33 2HH2 ARG 11 HH22 ARG 11 -13.722 5.832 -6.973 34 H LYS 12 HN LYS 12 -11.704 -1.094 -5.191 35 HA LYS 12 HA LYS 12 -9.024 -2.244 -4.920 36 1HB LYS 12 HB2 LYS 12 -11.304 -2.700 -6.828 37 2HB LYS 12 HB1 LYS 12 -9.679 -3.233 -7.231 38 1HG LYS 12 HG2 LYS 12 -10.797 -5.089 -6.299 39 2HG LYS 12 HG1 LYS 12 -9.668 -4.513 -5.071 40 1HD LYS 12 HD2 LYS 12 -11.319 -3.907 -3.656 41 2HD LYS 12 HD1 LYS 12 -12.364 -3.333 -4.957 42 1HE LYS 12 HE2 LYS 12 -11.921 -6.250 -4.829 43 2HE LYS 12 HE1 LYS 12 -12.855 -5.550 -3.508 44 1HZ LYS 12 HZ1 LYS 12 -14.093 -4.404 -5.507 45 2HZ LYS 12 HZ2 LYS 12 -14.507 -5.961 -4.996 46 3HZ LYS 12 HZ3 LYS 12 -13.518 -5.752 -6.352 47 H VAL 13 HN VAL 13 -7.400 -0.947 -5.487 48 HA VAL 13 HA VAL 13 -7.659 0.629 -7.962 49 HB VAL 13 HB VAL 13 -6.236 1.626 -5.488 50 1HG1 VAL 13 HG11 VAL 13 -7.118 3.456 -7.631 51 2HG1 VAL 13 HG12 VAL 13 -5.787 2.370 -8.029 52 3HG1 VAL 13 HG13 VAL 13 -5.649 3.469 -6.657 53 1HG2 VAL 13 HG21 VAL 13 -8.254 3.339 -5.681 54 2HG2 VAL 13 HG22 VAL 13 -8.377 1.853 -4.740 55 3HG2 VAL 13 HG23 VAL 13 -9.058 1.925 -6.365 56 H LEU 14 HN LEU 14 -5.902 0.609 -9.297 57 HA LEU 14 HA LEU 14 -3.700 -1.157 -8.515 58 1HB LEU 14 HB2 LEU 14 -3.180 -1.301 -10.886 59 2HB LEU 14 HB1 LEU 14 -4.856 -1.716 -10.585 60 HG LEU 14 HG LEU 14 -4.393 1.108 -11.289 61 1HD1 LEU 14 HD11 LEU 14 -2.826 -0.499 -12.708 62 2HD1 LEU 14 HD12 LEU 14 -3.661 0.878 -13.425 63 3HD1 LEU 14 HD13 LEU 14 -4.327 -0.746 -13.600 64 1HD2 LEU 14 HD21 LEU 14 -6.560 -0.484 -11.076 65 2HD2 LEU 14 HD22 LEU 14 -6.240 -0.614 -12.805 66 3HD2 LEU 14 HD23 LEU 14 -6.501 0.969 -12.073 67 H LEU 15 HN LEU 15 -1.573 -0.548 -8.538 68 HA LEU 15 HA LEU 15 -1.031 2.317 -8.980 69 1HB LEU 15 HB2 LEU 15 -1.013 1.377 -6.563 70 2HB LEU 15 HB1 LEU 15 0.507 0.637 -7.026 71 HG LEU 15 HG LEU 15 0.942 3.210 -7.798 72 1HD1 LEU 15 HD11 LEU 15 -1.182 3.982 -6.894 73 2HD1 LEU 15 HD12 LEU 15 0.172 4.668 -5.996 74 3HD1 LEU 15 HD13 LEU 15 -0.756 3.334 -5.309 75 1HD2 LEU 15 HD21 LEU 15 1.972 3.341 -5.364 76 2HD2 LEU 15 HD22 LEU 15 2.642 2.276 -6.599 77 3HD2 LEU 15 HD23 LEU 15 1.566 1.624 -5.364 78 H LEU 16 HN LEU 16 0.778 2.864 -10.115 79 HA LEU 16 HA LEU 16 2.286 0.637 -11.308 80 1HB LEU 16 HB2 LEU 16 0.942 2.221 -12.780 81 2HB LEU 16 HB1 LEU 16 2.114 3.455 -12.359 82 HG LEU 16 HG LEU 16 3.180 0.907 -13.451 83 1HD1 LEU 16 HD11 LEU 16 1.756 2.960 -15.139 84 2HD1 LEU 16 HD12 LEU 16 1.299 1.270 -14.923 85 3HD1 LEU 16 HD13 LEU 16 2.798 1.678 -15.759 86 1HD2 LEU 16 HD21 LEU 16 4.968 2.177 -14.018 87 2HD2 LEU 16 HD22 LEU 16 4.338 3.206 -12.732 88 3HD2 LEU 16 HD23 LEU 16 3.985 3.585 -14.417 89 H LYS 17 HN LYS 17 4.380 0.414 -10.841 90 HA LYS 17 HA LYS 17 5.775 2.676 -9.563 91 1HB LYS 17 HB2 LYS 17 5.301 0.600 -8.156 92 2HB LYS 17 HB1 LYS 17 6.462 -0.236 -9.179 93 1HG LYS 17 HG2 LYS 17 7.898 1.944 -8.458 94 2HG LYS 17 HG1 LYS 17 6.891 1.714 -7.027 95 1HD LYS 17 HD2 LYS 17 7.709 -0.844 -7.606 96 2HD LYS 17 HD1 LYS 17 9.124 0.118 -8.037 97 1HE LYS 17 HE2 LYS 17 7.692 0.466 -5.417 98 2HE LYS 17 HE1 LYS 17 8.961 -0.737 -5.634 99 1HZ LYS 17 HZ1 LYS 17 10.255 0.965 -4.969 100 2HZ LYS 17 HZ2 LYS 17 9.161 2.157 -5.459 101 3HZ LYS 17 HZ3 LYS 17 10.175 1.424 -6.597 102 H GLU 18 HN GLU 18 7.494 3.457 -10.583 103 HA GLU 18 HA GLU 18 8.653 1.890 -12.791 104 1HB GLU 18 HB2 GLU 18 8.950 4.864 -12.389 105 2HB GLU 18 HB1 GLU 18 9.244 3.933 -13.850 106 1HG GLU 18 HG2 GLU 18 6.558 3.491 -13.168 107 2HG GLU 18 HG1 GLU 18 6.846 5.218 -12.961 108 H ASP 19 HN ASP 19 10.968 1.999 -13.114 109 HA ASP 19 HA ASP 19 12.475 1.515 -10.812 110 1HB ASP 19 HB2 ASP 19 13.083 1.936 -13.684 111 2HB ASP 19 HB1 ASP 19 14.423 2.154 -12.562 112 H HIS 20 HN HIS 20 12.075 4.482 -12.693 113 HA HIS 20 HA HIS 20 14.001 5.947 -11.138 114 1HB HIS 20 HB2 HIS 20 13.377 7.865 -12.466 115 2HB HIS 20 HB1 HIS 20 13.541 6.472 -13.526 116 HD1 HIS 20 HD1 HIS 20 11.331 9.208 -12.820 117 HD2 HIS 20 HD2 HIS 20 10.846 5.293 -14.122 118 HE1 HIS 20 HE1 HIS 20 9.045 9.124 -13.866 119 HE2 HIS 20 HE2 HIS 20 8.727 6.716 -14.535 120 H GLU 21 HN GLU 21 10.561 5.374 -10.993 121 HA GLU 21 HA GLU 21 10.182 7.492 -9.016 122 1HB GLU 21 HB2 GLU 21 8.355 5.783 -10.654 123 2HB GLU 21 HB1 GLU 21 7.747 6.498 -9.167 124 1HG GLU 21 HG2 GLU 21 8.158 8.699 -9.958 125 2HG GLU 21 HG1 GLU 21 9.055 8.096 -11.347 126 H GLY 22 HN GLY 22 8.414 6.674 -7.258 127 1HA GLY 22 HA2 GLY 22 9.356 4.121 -6.129 128 2HA GLY 22 HA1 GLY 22 9.426 5.576 -5.149 129 H LEU 23 HN LEU 23 8.024 4.738 -3.583 130 HA LEU 23 HA LEU 23 5.461 3.667 -4.189 131 1HB LEU 23 HB2 LEU 23 7.036 4.187 -1.830 132 2HB LEU 23 HB1 LEU 23 5.390 4.729 -1.576 133 HG LEU 23 HG LEU 23 5.689 2.453 -0.774 134 1HD1 LEU 23 HD11 LEU 23 3.982 1.369 -2.502 135 2HD1 LEU 23 HD12 LEU 23 3.848 3.050 -3.014 136 3HD1 LEU 23 HD13 LEU 23 3.504 2.608 -1.342 137 1HD2 LEU 23 HD21 LEU 23 7.488 2.016 -2.610 138 2HD2 LEU 23 HD22 LEU 23 6.108 1.456 -3.555 139 3HD2 LEU 23 HD23 LEU 23 6.489 0.689 -2.013 140 H GLY 24 HN GLY 24 6.402 6.809 -2.755 141 1HA GLY 24 HA2 GLY 24 5.503 8.893 -3.463 142 2HA GLY 24 HA1 GLY 24 4.118 8.044 -4.124 143 H ILE 25 HN ILE 25 4.213 6.526 -1.353 144 HA ILE 25 HA ILE 25 3.077 8.652 0.310 145 HB ILE 25 HB ILE 25 1.167 7.163 0.927 146 1HG1 ILE 25 HG12 ILE 25 0.721 5.531 -1.182 147 2HG1 ILE 25 HG11 ILE 25 2.478 5.452 -1.114 148 1HG2 ILE 25 HG21 ILE 25 1.450 8.233 -1.860 149 2HG2 ILE 25 HG22 ILE 25 0.619 8.945 -0.478 150 3HG2 ILE 25 HG23 ILE 25 -0.062 7.535 -1.286 151 1HD1 ILE 25 HD11 ILE 25 1.479 5.149 1.522 152 2HD1 ILE 25 HD12 ILE 25 2.349 3.983 0.525 153 3HD1 ILE 25 HD13 ILE 25 0.589 4.063 0.455 154 H SER 26 HN SER 26 2.960 8.137 2.564 155 HA SER 26 HA SER 26 4.888 6.058 3.341 156 1HB SER 26 HB2 SER 26 3.916 8.234 5.177 157 2HB SER 26 HB1 SER 26 5.435 7.341 5.225 158 HG SER 26 HG SER 26 5.487 9.585 4.396 159 H ILE 27 HN ILE 27 4.347 4.427 4.702 160 HA ILE 27 HA ILE 27 1.568 4.368 5.690 161 HB ILE 27 HB ILE 27 1.736 1.863 5.529 162 1HG1 ILE 27 HG12 ILE 27 4.008 2.357 3.611 163 2HG1 ILE 27 HG11 ILE 27 4.298 1.962 5.301 164 1HG2 ILE 27 HG21 ILE 27 2.042 2.809 2.754 165 2HG2 ILE 27 HG22 ILE 27 0.854 3.661 3.738 166 3HG2 ILE 27 HG23 ILE 27 0.725 1.917 3.515 167 1HD1 ILE 27 HD11 ILE 27 2.460 0.168 3.870 168 2HD1 ILE 27 HD12 ILE 27 3.743 -0.197 5.024 169 3HD1 ILE 27 HD13 ILE 27 4.142 0.141 3.340 170 H THR 28 HN THR 28 1.162 3.390 7.699 171 HA THR 28 HA THR 28 3.510 2.755 9.339 172 HB THR 28 HB THR 28 2.891 5.108 9.758 173 HG1 THR 28 HG1 THR 28 2.177 3.572 12.017 174 1HG2 THR 28 HG21 THR 28 0.848 5.644 10.989 175 2HG2 THR 28 HG22 THR 28 0.273 3.996 10.737 176 3HG2 THR 28 HG23 THR 28 0.506 5.069 9.357 177 H GLY 29 HN GLY 29 3.169 1.302 11.023 178 1HA GLY 29 HA2 GLY 29 1.022 0.336 12.264 179 2HA GLY 29 HA1 GLY 29 0.822 -0.396 10.678 180 H GLY 30 HN GLY 30 1.025 -2.494 11.648 181 1HA GLY 30 HA2 GLY 30 3.376 -3.798 11.357 182 2HA GLY 30 HA1 GLY 30 3.494 -3.180 12.994 183 H LYS 31 HN LYS 31 2.653 -5.808 11.201 184 HA LYS 31 HA LYS 31 0.323 -6.793 12.407 185 1HB LYS 31 HB2 LYS 31 1.841 -7.662 10.390 186 2HB LYS 31 HB1 LYS 31 2.460 -8.724 11.644 187 1HG LYS 31 HG2 LYS 31 -0.431 -8.466 10.842 188 2HG LYS 31 HG1 LYS 31 0.663 -9.764 10.361 189 1HD LYS 31 HD2 LYS 31 0.993 -10.130 12.892 190 2HD LYS 31 HD1 LYS 31 -0.468 -9.157 13.073 191 1HE LYS 31 HE2 LYS 31 -0.721 -11.252 11.060 192 2HE LYS 31 HE1 LYS 31 -0.374 -11.878 12.672 193 1HZ LYS 31 HZ1 LYS 31 -2.749 -11.689 12.287 194 2HZ LYS 31 HZ2 LYS 31 -2.598 -10.034 11.976 195 3HZ LYS 31 HZ3 LYS 31 -2.267 -10.636 13.522 196 H GLU 32 HN GLU 32 3.679 -6.857 13.485 197 HA GLU 32 HA GLU 32 3.497 -8.795 15.484 198 1HB GLU 32 HB2 GLU 32 5.230 -6.373 15.121 199 2HB GLU 32 HB1 GLU 32 5.334 -7.323 16.598 200 1HG GLU 32 HG2 GLU 32 5.472 -9.262 14.699 201 2HG GLU 32 HG1 GLU 32 6.284 -7.923 13.895 202 H HIS 33 HN HIS 33 2.380 -5.481 15.447 203 HA HIS 33 HA HIS 33 1.891 -5.403 18.298 204 1HB HIS 33 HB2 HIS 33 0.881 -3.468 16.207 205 2HB HIS 33 HB1 HIS 33 1.033 -3.189 17.937 206 HD1 HIS 33 HD1 HIS 33 3.131 -2.077 18.682 207 HD2 HIS 33 HD2 HIS 33 3.508 -3.746 14.895 208 HE1 HIS 33 HE1 HIS 33 5.390 -1.348 17.846 209 HE2 HIS 33 HE2 HIS 33 5.608 -2.395 15.565 210 H GLY 34 HN GLY 34 0.119 -6.149 15.380 211 1HA GLY 34 HA2 GLY 34 -1.808 -7.600 15.546 212 2HA GLY 34 HA1 GLY 34 -2.234 -6.785 17.040 213 H VAL 35 HN VAL 35 -1.172 -4.945 14.267 214 HA VAL 35 HA VAL 35 -3.917 -4.331 13.491 215 HB VAL 35 HB VAL 35 -3.428 -1.872 13.526 216 1HG1 VAL 35 HG11 VAL 35 -4.871 -2.727 15.203 217 2HG1 VAL 35 HG12 VAL 35 -3.737 -1.645 16.011 218 3HG1 VAL 35 HG13 VAL 35 -3.520 -3.392 16.121 219 1HG2 VAL 35 HG21 VAL 35 -1.609 -1.449 15.457 220 2HG2 VAL 35 HG22 VAL 35 -1.221 -1.429 13.737 221 3HG2 VAL 35 HG23 VAL 35 -0.909 -2.877 14.693 222 HA PRO 36 HA PRO 36 -1.996 -4.553 9.481 223 1HB PRO 36 HB2 PRO 36 -4.337 -2.971 8.585 224 2HB PRO 36 HB1 PRO 36 -3.778 -4.558 8.045 225 1HG PRO 36 HG2 PRO 36 -5.960 -4.310 9.567 226 2HG PRO 36 HG1 PRO 36 -4.841 -5.669 9.775 227 1HD PRO 36 HD2 PRO 36 -5.125 -3.179 11.415 228 2HD PRO 36 HD1 PRO 36 -4.852 -4.853 11.945 229 H ILE 37 HN ILE 37 -0.960 -3.188 7.974 230 HA ILE 37 HA ILE 37 -0.288 -0.579 9.023 231 HB ILE 37 HB ILE 37 0.673 -1.802 6.432 232 1HG1 ILE 37 HG12 ILE 37 2.734 -2.131 8.208 233 2HG1 ILE 37 HG11 ILE 37 1.337 -2.469 9.225 234 1HG2 ILE 37 HG21 ILE 37 0.982 0.708 7.092 235 2HG2 ILE 37 HG22 ILE 37 2.321 -0.203 6.398 236 3HG2 ILE 37 HG23 ILE 37 2.250 0.069 8.138 237 1HD1 ILE 37 HD11 ILE 37 2.592 -4.111 7.238 238 2HD1 ILE 37 HD12 ILE 37 0.888 -3.868 6.852 239 3HD1 ILE 37 HD13 ILE 37 1.352 -4.528 8.420 240 H LEU 38 HN LEU 38 -1.012 1.349 8.303 241 HA LEU 38 HA LEU 38 -2.600 1.386 5.823 242 1HB LEU 38 HB2 LEU 38 -4.141 2.982 6.870 243 2HB LEU 38 HB1 LEU 38 -4.141 1.428 7.680 244 HG LEU 38 HG LEU 38 -2.342 3.491 8.815 245 1HD1 LEU 38 HD11 LEU 38 -4.551 4.189 10.131 246 2HD1 LEU 38 HD12 LEU 38 -5.273 3.834 8.562 247 3HD1 LEU 38 HD13 LEU 38 -3.993 5.041 8.691 248 1HD2 LEU 38 HD21 LEU 38 -2.880 2.448 10.853 249 2HD2 LEU 38 HD22 LEU 38 -2.753 1.133 9.685 250 3HD2 LEU 38 HD23 LEU 38 -4.340 1.714 10.189 251 H ILE 39 HN ILE 39 -2.803 3.495 4.802 252 HA ILE 39 HA ILE 39 -0.282 4.916 4.829 253 HB ILE 39 HB ILE 39 -2.717 5.555 3.161 254 1HG1 ILE 39 HG12 ILE 39 -0.413 3.895 2.181 255 2HG1 ILE 39 HG11 ILE 39 -1.756 3.132 3.022 256 1HG2 ILE 39 HG21 ILE 39 0.204 6.236 2.919 257 2HG2 ILE 39 HG22 ILE 39 -1.160 7.339 3.099 258 3HG2 ILE 39 HG23 ILE 39 -0.949 6.437 1.599 259 1HD1 ILE 39 HD11 ILE 39 -1.589 4.175 0.307 260 2HD1 ILE 39 HD12 ILE 39 -3.048 4.658 1.172 261 3HD1 ILE 39 HD13 ILE 39 -2.653 2.948 0.992 262 H SER 40 HN SER 40 0.117 6.818 5.765 263 HA SER 40 HA SER 40 -2.162 8.359 6.832 264 1HB SER 40 HB2 SER 40 0.450 7.601 8.068 265 2HB SER 40 HB1 SER 40 -0.276 9.145 8.513 266 HG SER 40 HG SER 40 -1.628 6.650 8.632 267 H GLU 41 HN GLU 41 1.123 8.553 5.491 268 HA GLU 41 HA GLU 41 0.710 11.420 4.995 269 1HB GLU 41 HB2 GLU 41 2.784 10.457 6.225 270 2HB GLU 41 HB1 GLU 41 3.316 9.974 4.622 271 1HG GLU 41 HG2 GLU 41 3.119 12.353 3.913 272 2HG GLU 41 HG1 GLU 41 2.778 12.770 5.592 273 H ILE 42 HN ILE 42 0.919 12.292 2.942 274 HA ILE 42 HA ILE 42 1.203 10.393 0.706 275 HB ILE 42 HB ILE 42 -0.752 12.700 0.736 276 1HG1 ILE 42 HG12 ILE 42 -1.392 10.875 2.331 277 2HG1 ILE 42 HG11 ILE 42 -2.541 11.116 1.021 278 1HG2 ILE 42 HG21 ILE 42 -1.607 11.067 -1.217 279 2HG2 ILE 42 HG22 ILE 42 0.125 10.749 -1.293 280 3HG2 ILE 42 HG23 ILE 42 -0.477 12.395 -1.481 281 1HD1 ILE 42 HD11 ILE 42 -0.552 8.892 1.344 282 2HD1 ILE 42 HD12 ILE 42 -1.429 9.193 -0.156 283 3HD1 ILE 42 HD13 ILE 42 -2.312 8.790 1.316 284 H HIS 43 HN HIS 43 3.028 10.945 -0.330 285 HA HIS 43 HA HIS 43 3.994 13.679 -0.298 286 1HB HIS 43 HB2 HIS 43 5.103 11.044 -1.172 287 2HB HIS 43 HB1 HIS 43 5.803 12.514 -1.840 288 HD1 HIS 43 HD1 HIS 43 6.104 14.349 0.449 289 HD2 HIS 43 HD2 HIS 43 6.705 10.257 0.849 290 HE1 HIS 43 HE1 HIS 43 7.566 14.080 2.475 291 HE2 HIS 43 HE2 HIS 43 7.762 11.590 2.796 292 HA PRO 44 HA PRO 44 2.005 14.663 -4.168 293 1HB PRO 44 HB2 PRO 44 3.124 17.102 -4.535 294 2HB PRO 44 HB1 PRO 44 1.838 16.806 -3.359 295 1HG PRO 44 HG2 PRO 44 4.792 17.020 -2.925 296 2HG PRO 44 HG1 PRO 44 3.466 17.696 -1.961 297 1HD PRO 44 HD2 PRO 44 4.794 15.431 -1.264 298 2HD PRO 44 HD1 PRO 44 3.089 15.714 -0.860 299 H GLY 45 HN GLY 45 2.523 14.993 -6.386 300 1HA GLY 45 HA2 GLY 45 3.814 14.906 -8.297 301 2HA GLY 45 HA1 GLY 45 5.236 15.151 -7.295 302 H GLN 46 HN GLN 46 2.878 12.539 -6.986 303 HA GLN 46 HA GLN 46 4.768 10.626 -8.127 304 1HB GLN 46 HB2 GLN 46 4.124 10.894 -5.272 305 2HB GLN 46 HB1 GLN 46 3.925 9.263 -5.897 306 1HG GLN 46 HG2 GLN 46 6.099 9.091 -5.370 307 2HG GLN 46 HG1 GLN 46 6.322 9.852 -6.944 308 1HE2 GLN 46 HE21 GLN 46 5.451 11.031 -3.697 309 2HE2 GLN 46 HE22 GLN 46 6.661 12.261 -3.644 310 HA PRO 47 HA PRO 47 1.382 8.266 -9.705 311 1HB PRO 47 HB2 PRO 47 1.995 6.052 -7.797 312 2HB PRO 47 HB1 PRO 47 1.777 5.999 -9.551 313 1HG PRO 47 HG2 PRO 47 4.207 5.857 -8.491 314 2HG PRO 47 HG1 PRO 47 3.915 6.789 -9.972 315 1HD PRO 47 HD2 PRO 47 4.350 7.750 -7.180 316 2HD PRO 47 HD1 PRO 47 4.865 8.475 -8.717 317 H ALA 48 HN ALA 48 1.673 8.293 -6.179 318 HA ALA 48 HA ALA 48 -0.878 7.409 -5.488 319 1HB ALA 48 HB1 ALA 48 0.519 7.551 -3.677 320 2HB ALA 48 HB2 ALA 48 -0.454 9.005 -3.450 321 3HB ALA 48 HB3 ALA 48 1.159 9.124 -4.152 322 H ASP 49 HN ASP 49 0.248 10.726 -6.152 323 HA ASP 49 HA ASP 49 -2.277 11.957 -5.693 324 1HB ASP 49 HB2 ASP 49 0.027 12.973 -7.374 325 2HB ASP 49 HB1 ASP 49 -1.298 13.937 -6.734 326 H ARG 50 HN ARG 50 -0.602 10.807 -8.594 327 HA ARG 50 HA ARG 50 -2.515 11.704 -10.467 328 1HB ARG 50 HB2 ARG 50 -0.564 9.404 -10.656 329 2HB ARG 50 HB1 ARG 50 -1.449 10.094 -12.010 330 1HG ARG 50 HG2 ARG 50 0.213 11.918 -10.358 331 2HG ARG 50 HG1 ARG 50 1.030 10.802 -11.455 332 1HD ARG 50 HD2 ARG 50 0.699 12.804 -12.672 333 2HD ARG 50 HD1 ARG 50 -0.496 11.653 -13.270 334 HE ARG 50 HE ARG 50 -1.483 13.341 -11.163 335 1HH1 ARG 50 HH11 ARG 50 -0.964 13.111 -14.617 336 2HH1 ARG 50 HH12 ARG 50 -2.219 14.238 -15.005 337 1HH2 ARG 50 HH21 ARG 50 -3.142 14.825 -11.684 338 2HH2 ARG 50 HH22 ARG 50 -3.453 15.211 -13.343 339 H CYS 51 HN CYS 51 -2.347 8.840 -8.451 340 HA CYS 51 HA CYS 51 -4.300 7.326 -9.863 341 1HB CYS 51 HB2 CYS 51 -2.530 6.681 -7.955 342 2HB CYS 51 HB1 CYS 51 -3.953 6.898 -6.942 343 HG CYS 51 HG CYS 51 -3.557 4.388 -7.960 344 H GLY 52 HN GLY 52 -4.488 9.835 -7.421 345 1HA GLY 52 HA2 GLY 52 -6.337 11.072 -6.775 346 2HA GLY 52 HA1 GLY 52 -7.333 10.062 -7.811 347 H GLY 53 HN GLY 53 -7.304 7.628 -6.889 348 1HA GLY 53 HA2 GLY 53 -8.885 7.622 -4.596 349 2HA GLY 53 HA1 GLY 53 -8.084 6.211 -5.266 350 H LEU 54 HN LEU 54 -5.404 7.621 -4.822 351 HA LEU 54 HA LEU 54 -4.824 6.460 -2.312 352 1HB LEU 54 HB2 LEU 54 -3.349 7.440 -4.451 353 2HB LEU 54 HB1 LEU 54 -2.945 8.532 -3.142 354 HG LEU 54 HG LEU 54 -1.305 6.813 -3.153 355 1HD1 LEU 54 HD11 LEU 54 -3.167 5.946 -0.967 356 2HD1 LEU 54 HD12 LEU 54 -2.363 7.515 -0.941 357 3HD1 LEU 54 HD13 LEU 54 -1.406 6.034 -0.954 358 1HD2 LEU 54 HD21 LEU 54 -1.663 4.568 -3.434 359 2HD2 LEU 54 HD22 LEU 54 -2.986 5.228 -4.395 360 3HD2 LEU 54 HD23 LEU 54 -3.294 4.630 -2.765 361 H HIS 55 HN HIS 55 -6.039 7.254 -0.667 362 HA HIS 55 HA HIS 55 -5.719 10.113 -0.019 363 1HB HIS 55 HB2 HIS 55 -7.903 9.910 1.188 364 2HB HIS 55 HB1 HIS 55 -8.029 9.684 -0.553 365 HD1 HIS 55 HD1 HIS 55 -7.700 7.483 2.548 366 HD2 HIS 55 HD2 HIS 55 -9.443 7.471 -1.226 367 HE1 HIS 55 HE1 HIS 55 -9.017 5.348 2.421 368 HE2 HIS 55 HE2 HIS 55 -10.058 5.355 0.129 369 H VAL 56 HN VAL 56 -5.681 10.660 2.268 370 HA VAL 56 HA VAL 56 -3.977 8.951 3.757 371 HB VAL 56 HB VAL 56 -4.430 10.587 5.633 372 1HG1 VAL 56 HG11 VAL 56 -2.547 10.731 3.996 373 2HG1 VAL 56 HG12 VAL 56 -3.027 12.269 4.711 374 3HG1 VAL 56 HG13 VAL 56 -3.527 11.868 3.068 375 1HG2 VAL 56 HG21 VAL 56 -6.694 11.230 4.429 376 2HG2 VAL 56 HG22 VAL 56 -5.658 12.427 3.654 377 3HG2 VAL 56 HG23 VAL 56 -5.805 12.394 5.410 378 H GLY 57 HN GLY 57 -4.414 7.504 5.338 379 1HA GLY 57 HA2 GLY 57 -5.668 6.468 7.034 380 2HA GLY 57 HA1 GLY 57 -7.080 7.378 6.522 381 H ASP 58 HN ASP 58 -4.899 5.276 4.657 382 HA ASP 58 HA ASP 58 -7.232 3.626 3.929 383 1HB ASP 58 HB2 ASP 58 -5.270 4.913 2.308 384 2HB ASP 58 HB1 ASP 58 -5.021 3.179 2.165 385 H ALA 59 HN ALA 59 -7.225 1.595 4.725 386 HA ALA 59 HA ALA 59 -4.769 0.574 5.917 387 1HB ALA 59 HB1 ALA 59 -6.386 0.139 7.439 388 2HB ALA 59 HB2 ALA 59 -6.533 -1.345 6.497 389 3HB ALA 59 HB3 ALA 59 -7.651 -0.010 6.219 390 H ILE 60 HN ILE 60 -3.461 -0.793 4.929 391 HA ILE 60 HA ILE 60 -4.013 -1.855 2.348 392 HB ILE 60 HB ILE 60 -1.789 -2.701 4.211 393 1HG1 ILE 60 HG12 ILE 60 -1.463 -0.642 2.053 394 2HG1 ILE 60 HG11 ILE 60 -2.078 -0.158 3.629 395 1HG2 ILE 60 HG21 ILE 60 -2.271 -4.115 2.191 396 2HG2 ILE 60 HG22 ILE 60 -0.642 -3.443 2.264 397 3HG2 ILE 60 HG23 ILE 60 -1.847 -2.718 1.200 398 1HD1 ILE 60 HD11 ILE 60 -0.059 -0.242 4.549 399 2HD1 ILE 60 HD12 ILE 60 0.559 -0.322 2.899 400 3HD1 ILE 60 HD13 ILE 60 0.304 -1.805 3.819 401 H LEU 61 HN LEU 61 -4.794 -3.772 1.727 402 HA LEU 61 HA LEU 61 -5.322 -5.790 3.811 403 1HB LEU 61 HB2 LEU 61 -6.893 -5.032 1.357 404 2HB LEU 61 HB1 LEU 61 -7.152 -6.548 2.197 405 HG LEU 61 HG LEU 61 -7.362 -3.905 3.621 406 1HD1 LEU 61 HD11 LEU 61 -9.035 -3.500 2.135 407 2HD1 LEU 61 HD12 LEU 61 -9.922 -4.507 3.279 408 3HD1 LEU 61 HD13 LEU 61 -9.295 -5.209 1.787 409 1HD2 LEU 61 HD21 LEU 61 -7.311 -5.527 5.238 410 2HD2 LEU 61 HD22 LEU 61 -8.048 -6.744 4.196 411 3HD2 LEU 61 HD23 LEU 61 -9.041 -5.469 4.902 412 H ALA 62 HN ALA 62 -4.782 -5.487 0.281 413 HA ALA 62 HA ALA 62 -2.891 -7.690 0.387 414 1HB ALA 62 HB1 ALA 62 -5.588 -7.927 -0.803 415 2HB ALA 62 HB2 ALA 62 -4.547 -9.159 -0.090 416 3HB ALA 62 HB3 ALA 62 -4.248 -8.597 -1.734 417 H VAL 63 HN VAL 63 -1.437 -7.732 -1.325 418 HA VAL 63 HA VAL 63 -1.689 -5.554 -3.298 419 HB VAL 63 HB VAL 63 0.918 -6.450 -2.055 420 1HG1 VAL 63 HG11 VAL 63 0.675 -5.343 -4.444 421 2HG1 VAL 63 HG12 VAL 63 1.983 -4.895 -3.351 422 3HG1 VAL 63 HG13 VAL 63 0.559 -3.866 -3.486 423 1HG2 VAL 63 HG21 VAL 63 -0.983 -5.016 -0.737 424 2HG2 VAL 63 HG22 VAL 63 -0.042 -3.733 -1.495 425 3HG2 VAL 63 HG23 VAL 63 0.751 -4.899 -0.436 426 H ASN 64 HN ASN 64 -1.738 -6.292 -5.305 427 HA ASN 64 HA ASN 64 -1.538 -7.620 -7.135 428 1HB ASN 64 HB2 ASN 64 1.007 -7.221 -6.211 429 2HB ASN 64 HB1 ASN 64 0.930 -8.979 -6.265 430 1HD2 ASN 64 HD21 ASN 64 2.030 -6.529 -7.962 431 2HD2 ASN 64 HD22 ASN 64 1.752 -7.075 -9.576 432 H GLY 65 HN GLY 65 -3.037 -8.650 -4.907 433 1HA GLY 65 HA2 GLY 65 -4.262 -10.618 -4.675 434 2HA GLY 65 HA1 GLY 65 -3.092 -11.442 -5.690 435 H VAL 66 HN VAL 66 -1.068 -10.059 -3.624 436 HA VAL 66 HA VAL 66 -0.937 -12.419 -1.934 437 HB VAL 66 HB VAL 66 0.967 -10.072 -1.983 438 1HG1 VAL 66 HG11 VAL 66 1.029 -12.808 -0.771 439 2HG1 VAL 66 HG12 VAL 66 1.438 -11.253 -0.047 440 3HG1 VAL 66 HG13 VAL 66 2.530 -11.994 -1.216 441 1HG2 VAL 66 HG21 VAL 66 2.295 -11.207 -3.579 442 2HG2 VAL 66 HG22 VAL 66 0.650 -11.233 -4.213 443 3HG2 VAL 66 HG23 VAL 66 1.326 -12.674 -3.453 444 H ASN 67 HN ASN 67 -1.317 -12.478 0.222 445 HA ASN 67 HA ASN 67 -2.723 -10.241 1.388 446 1HB ASN 67 HB2 ASN 67 -2.868 -12.998 1.696 447 2HB ASN 67 HB1 ASN 67 -2.141 -12.454 3.203 448 1HD2 ASN 67 HD21 ASN 67 -3.337 -11.202 4.619 449 2HD2 ASN 67 HD22 ASN 67 -5.039 -10.968 4.444 450 H LEU 68 HN LEU 68 -2.005 -8.855 2.903 451 HA LEU 68 HA LEU 68 0.788 -9.159 3.781 452 1HB LEU 68 HB2 LEU 68 -0.724 -6.923 2.750 453 2HB LEU 68 HB1 LEU 68 -0.039 -6.539 4.318 454 HG LEU 68 HG LEU 68 2.198 -7.040 3.514 455 1HD1 LEU 68 HD11 LEU 68 0.741 -7.946 1.061 456 2HD1 LEU 68 HD12 LEU 68 1.990 -8.777 1.988 457 3HD1 LEU 68 HD13 LEU 68 2.416 -7.399 0.973 458 1HD2 LEU 68 HD21 LEU 68 2.180 -5.332 1.525 459 2HD2 LEU 68 HD22 LEU 68 1.798 -4.806 3.164 460 3HD2 LEU 68 HD23 LEU 68 0.500 -5.106 2.009 461 H ARG 69 HN ARG 69 -2.405 -9.267 4.938 462 HA ARG 69 HA ARG 69 -2.158 -8.135 7.492 463 1HB ARG 69 HB2 ARG 69 -4.249 -9.060 6.203 464 2HB ARG 69 HB1 ARG 69 -3.865 -10.554 7.048 465 1HG ARG 69 HG2 ARG 69 -3.875 -9.129 9.178 466 2HG ARG 69 HG1 ARG 69 -4.688 -7.910 8.194 467 1HD ARG 69 HD2 ARG 69 -5.932 -10.450 7.764 468 2HD ARG 69 HD1 ARG 69 -5.816 -10.153 9.497 469 HE ARG 69 HE ARG 69 -7.346 -8.455 9.289 470 1HH1 ARG 69 HH11 ARG 69 -6.242 -9.381 6.094 471 2HH1 ARG 69 HH12 ARG 69 -7.451 -8.455 5.272 472 1HH2 ARG 69 HH21 ARG 69 -8.939 -7.236 8.199 473 2HH2 ARG 69 HH22 ARG 69 -8.985 -7.237 6.468 474 H ASP 70 HN ASP 70 -1.099 -11.235 6.249 475 HA ASP 70 HA ASP 70 -0.457 -12.197 8.940 476 1HB ASP 70 HB2 ASP 70 0.079 -14.333 7.831 477 2HB ASP 70 HB1 ASP 70 -1.548 -13.787 7.436 478 H THR 71 HN THR 71 1.016 -10.104 7.027 479 HA THR 71 HA THR 71 3.706 -11.201 7.501 480 HB THR 71 HB THR 71 4.518 -10.108 5.554 481 HG1 THR 71 HG1 THR 71 2.117 -8.659 5.683 482 1HG2 THR 71 HG21 THR 71 3.045 -10.852 3.705 483 2HG2 THR 71 HG22 THR 71 1.829 -11.284 4.907 484 3HG2 THR 71 HG23 THR 71 3.390 -12.102 4.900 485 H LYS 72 HN LYS 72 5.377 -9.622 7.997 486 HA LYS 72 HA LYS 72 4.391 -7.588 9.810 487 1HB LYS 72 HB2 LYS 72 6.890 -9.049 9.400 488 2HB LYS 72 HB1 LYS 72 7.151 -7.343 9.735 489 1HG LYS 72 HG2 LYS 72 7.215 -8.578 11.791 490 2HG LYS 72 HG1 LYS 72 5.773 -7.563 11.771 491 1HD LYS 72 HD2 LYS 72 4.871 -9.535 12.515 492 2HD LYS 72 HD1 LYS 72 4.662 -9.736 10.775 493 1HE LYS 72 HE2 LYS 72 7.262 -10.661 11.534 494 2HE LYS 72 HE1 LYS 72 6.055 -11.410 12.576 495 1HZ LYS 72 HZ1 LYS 72 6.480 -11.716 9.702 496 2HZ LYS 72 HZ2 LYS 72 4.878 -11.753 10.243 497 3HZ LYS 72 HZ3 LYS 72 6.001 -12.860 10.854 498 H HIS 73 HN HIS 73 5.293 -5.369 9.780 499 HA HIS 73 HA HIS 73 4.782 -4.029 7.403 500 1HB HIS 73 HB2 HIS 73 4.784 -2.902 9.575 501 2HB HIS 73 HB1 HIS 73 6.522 -3.137 9.716 502 HD1 HIS 73 HD1 HIS 73 7.899 -1.218 8.980 503 HD2 HIS 73 HD2 HIS 73 4.132 -1.178 7.226 504 HE1 HIS 73 HE1 HIS 73 7.788 0.928 7.677 505 HE2 HIS 73 HE2 HIS 73 5.452 0.990 6.734 506 H LYS 74 HN LYS 74 7.960 -4.860 8.805 507 HA LYS 74 HA LYS 74 9.538 -3.802 6.743 508 1HB LYS 74 HB2 LYS 74 11.305 -5.369 7.566 509 2HB LYS 74 HB1 LYS 74 10.574 -4.385 8.826 510 1HG LYS 74 HG2 LYS 74 9.247 -6.248 9.580 511 2HG LYS 74 HG1 LYS 74 9.816 -7.241 8.237 512 1HD LYS 74 HD2 LYS 74 12.017 -7.319 9.108 513 2HD LYS 74 HD1 LYS 74 11.671 -6.047 10.282 514 1HE LYS 74 HE2 LYS 74 10.166 -7.507 11.481 515 2HE LYS 74 HE1 LYS 74 10.362 -8.764 10.260 516 1HZ LYS 74 HZ1 LYS 74 12.569 -9.138 10.914 517 2HZ LYS 74 HZ2 LYS 74 11.701 -9.020 12.361 518 3HZ LYS 74 HZ3 LYS 74 12.642 -7.718 11.833 519 H GLU 75 HN GLU 75 8.103 -7.018 7.139 520 HA GLU 75 HA GLU 75 9.309 -8.183 4.855 521 1HB GLU 75 HB2 GLU 75 7.217 -8.911 6.785 522 2HB GLU 75 HB1 GLU 75 6.968 -9.577 5.178 523 1HG GLU 75 HG2 GLU 75 9.564 -10.163 5.512 524 2HG GLU 75 HG1 GLU 75 9.025 -10.196 7.191 525 H ALA 76 HN ALA 76 6.274 -6.447 5.373 526 HA ALA 76 HA ALA 76 5.113 -6.953 2.859 527 1HB ALA 76 HB1 ALA 76 4.726 -4.778 4.891 528 2HB ALA 76 HB2 ALA 76 3.668 -6.136 4.505 529 3HB ALA 76 HB3 ALA 76 3.834 -4.797 3.369 530 H VAL 77 HN VAL 77 7.417 -4.506 3.936 531 HA VAL 77 HA VAL 77 7.274 -2.808 1.693 532 HB VAL 77 HB VAL 77 9.729 -3.344 3.380 533 1HG1 VAL 77 HG11 VAL 77 10.320 -2.112 1.427 534 2HG1 VAL 77 HG12 VAL 77 10.252 -0.967 2.766 535 3HG1 VAL 77 HG13 VAL 77 8.927 -1.045 1.605 536 1HG2 VAL 77 HG21 VAL 77 7.269 -2.401 4.265 537 2HG2 VAL 77 HG22 VAL 77 8.242 -0.948 4.039 538 3HG2 VAL 77 HG23 VAL 77 8.819 -2.241 5.090 539 H THR 78 HN THR 78 9.189 -5.708 2.348 540 HA THR 78 HA THR 78 10.763 -5.596 -0.003 541 HB THR 78 HB THR 78 10.023 -8.152 1.406 542 HG1 THR 78 HG1 THR 78 10.700 -7.188 3.153 543 1HG2 THR 78 HG21 THR 78 12.334 -8.763 0.964 544 2HG2 THR 78 HG22 THR 78 12.601 -7.209 0.173 545 3HG2 THR 78 HG23 THR 78 11.479 -8.375 -0.528 546 H ILE 79 HN ILE 79 7.718 -7.258 0.784 547 HA ILE 79 HA ILE 79 7.427 -8.631 -1.658 548 HB ILE 79 HB ILE 79 5.191 -7.629 0.115 549 1HG1 ILE 79 HG12 ILE 79 6.212 -10.432 0.249 550 2HG1 ILE 79 HG11 ILE 79 7.149 -9.177 1.052 551 1HG2 ILE 79 HG21 ILE 79 5.334 -9.496 -2.192 552 2HG2 ILE 79 HG22 ILE 79 4.069 -8.356 -1.732 553 3HG2 ILE 79 HG23 ILE 79 4.228 -9.889 -0.876 554 1HD1 ILE 79 HD11 ILE 79 4.818 -10.516 1.955 555 2HD1 ILE 79 HD12 ILE 79 4.445 -8.802 1.775 556 3HD1 ILE 79 HD13 ILE 79 5.795 -9.308 2.790 557 H LEU 80 HN LEU 80 6.317 -5.423 -0.617 558 HA LEU 80 HA LEU 80 4.842 -4.789 -2.930 559 1HB LEU 80 HB2 LEU 80 6.287 -2.967 -1.002 560 2HB LEU 80 HB1 LEU 80 5.142 -2.428 -2.215 561 HG LEU 80 HG LEU 80 4.336 -4.422 -0.121 562 1HD1 LEU 80 HD11 LEU 80 3.683 -1.578 0.323 563 2HD1 LEU 80 HD12 LEU 80 5.349 -2.059 0.646 564 3HD1 LEU 80 HD13 LEU 80 4.021 -2.864 1.481 565 1HD2 LEU 80 HD21 LEU 80 2.568 -4.360 -1.508 566 2HD2 LEU 80 HD22 LEU 80 3.032 -2.810 -2.206 567 3HD2 LEU 80 HD23 LEU 80 2.193 -2.863 -0.655 568 H SER 81 HN SER 81 8.270 -4.468 -2.147 569 HA SER 81 HA SER 81 8.992 -2.890 -4.381 570 1HB SER 81 HB2 SER 81 10.537 -2.995 -2.561 571 2HB SER 81 HB1 SER 81 10.592 -4.756 -2.620 572 HG SER 81 HG SER 81 11.451 -3.113 -4.767 573 H GLN 82 HN GLN 82 8.559 -6.352 -3.942 574 HA GLN 82 HA GLN 82 9.857 -7.216 -6.300 575 1HB GLN 82 HB2 GLN 82 7.542 -8.543 -4.875 576 2HB GLN 82 HB1 GLN 82 8.647 -9.311 -6.005 577 1HG GLN 82 HG2 GLN 82 9.977 -8.031 -3.741 578 2HG GLN 82 HG1 GLN 82 8.880 -9.333 -3.287 579 1HE2 GLN 82 HE21 GLN 82 11.669 -9.400 -2.933 580 2HE2 GLN 82 HE22 GLN 82 12.309 -10.656 -3.932 581 H GLN 83 HN GLN 83 6.678 -5.875 -5.723 582 HA GLN 83 HA GLN 83 5.379 -6.749 -8.061 583 1HB GLN 83 HB2 GLN 83 4.877 -4.084 -6.743 584 2HB GLN 83 HB1 GLN 83 3.741 -5.089 -7.630 585 1HG GLN 83 HG2 GLN 83 4.875 -5.560 -4.889 586 2HG GLN 83 HG1 GLN 83 3.198 -5.260 -5.333 587 1HE2 GLN 83 HE21 GLN 83 3.864 -7.392 -3.754 588 2HE2 GLN 83 HE22 GLN 83 3.630 -8.864 -4.628 589 H ARG 84 HN ARG 84 6.045 -6.440 -10.068 590 HA ARG 84 HA ARG 84 7.340 -3.889 -10.770 591 1HB ARG 84 HB2 ARG 84 8.335 -5.164 -12.681 592 2HB ARG 84 HB1 ARG 84 8.865 -5.701 -11.094 593 1HG ARG 84 HG2 ARG 84 7.316 -7.579 -11.200 594 2HG ARG 84 HG1 ARG 84 6.761 -7.036 -12.785 595 1HD ARG 84 HD2 ARG 84 8.301 -8.637 -13.371 596 2HD ARG 84 HD1 ARG 84 9.290 -7.178 -13.403 597 HE ARG 84 HE ARG 84 10.531 -8.045 -11.702 598 1HH1 ARG 84 HH11 ARG 84 7.443 -9.701 -11.727 599 2HH1 ARG 84 HH12 ARG 84 7.900 -10.837 -10.505 600 1HH2 ARG 84 HH21 ARG 84 11.131 -9.547 -10.088 601 2HH2 ARG 84 HH22 ARG 84 9.997 -10.750 -9.573 602 H GLY 85 HN GLY 85 6.791 -2.849 -12.699 603 1HA GLY 85 HA2 GLY 85 5.394 -2.107 -14.358 604 2HA GLY 85 HA1 GLY 85 4.937 -3.787 -14.593 605 H GLU 86 HN GLU 86 2.971 -4.466 -13.937 606 HA GLU 86 HA GLU 86 1.149 -2.445 -12.910 607 1HB GLU 86 HB2 GLU 86 0.548 -3.927 -14.854 608 2HB GLU 86 HB1 GLU 86 0.519 -5.284 -13.736 609 1HG GLU 86 HG2 GLU 86 -1.234 -4.096 -12.433 610 2HG GLU 86 HG1 GLU 86 -1.262 -2.858 -13.686 611 H ILE 87 HN ILE 87 0.531 -2.318 -10.860 612 HA ILE 87 HA ILE 87 0.924 -4.666 -9.122 613 HB ILE 87 HB ILE 87 1.246 -1.831 -8.155 614 1HG1 ILE 87 HG12 ILE 87 3.449 -3.719 -9.025 615 2HG1 ILE 87 HG11 ILE 87 2.933 -2.292 -9.916 616 1HG2 ILE 87 HG21 ILE 87 0.997 -3.047 -6.259 617 2HG2 ILE 87 HG22 ILE 87 2.720 -3.324 -6.505 618 3HG2 ILE 87 HG23 ILE 87 1.551 -4.543 -7.010 619 1HD1 ILE 87 HD11 ILE 87 3.669 -1.800 -7.122 620 2HD1 ILE 87 HD12 ILE 87 4.069 -0.900 -8.585 621 3HD1 ILE 87 HD13 ILE 87 4.982 -2.348 -8.164 622 H GLU 88 HN GLU 88 -0.817 -5.270 -7.996 623 HA GLU 88 HA GLU 88 -3.217 -3.609 -8.132 624 1HB GLU 88 HB2 GLU 88 -3.073 -6.151 -8.678 625 2HB GLU 88 HB1 GLU 88 -3.102 -6.361 -6.935 626 1HG GLU 88 HG2 GLU 88 -5.313 -6.414 -7.160 627 2HG GLU 88 HG1 GLU 88 -5.197 -4.663 -7.319 628 H PHE 89 HN PHE 89 -4.156 -2.666 -6.378 629 HA PHE 89 HA PHE 89 -3.025 -3.280 -3.731 630 1HB PHE 89 HB2 PHE 89 -3.075 -0.711 -5.171 631 2HB PHE 89 HB1 PHE 89 -3.642 -0.626 -3.507 632 HD1 PHE 89 HD1 PHE 89 -2.141 -0.812 -1.684 633 HD2 PHE 89 HD2 PHE 89 -0.776 -1.507 -5.656 634 HE1 PHE 89 HE1 PHE 89 0.187 -0.749 -0.892 635 HE2 PHE 89 HE2 PHE 89 1.554 -1.446 -4.869 636 HZ PHE 89 HZ PHE 89 2.038 -1.065 -2.484 637 H GLU 90 HN GLU 90 -4.493 -3.669 -2.201 638 HA GLU 90 HA GLU 90 -7.272 -2.807 -2.676 639 1HB GLU 90 HB2 GLU 90 -6.366 -5.370 -1.345 640 2HB GLU 90 HB1 GLU 90 -8.033 -4.872 -1.602 641 1HG GLU 90 HG2 GLU 90 -7.500 -4.866 -4.081 642 2HG GLU 90 HG1 GLU 90 -6.002 -5.692 -3.657 643 H VAL 91 HN VAL 91 -7.845 -1.321 -1.246 644 HA VAL 91 HA VAL 91 -7.054 -1.648 1.561 645 HB VAL 91 HB VAL 91 -6.668 0.833 1.707 646 1HG1 VAL 91 HG11 VAL 91 -4.539 0.210 1.713 647 2HG1 VAL 91 HG12 VAL 91 -4.510 0.304 -0.048 648 3HG1 VAL 91 HG13 VAL 91 -4.932 -1.211 0.748 649 1HG2 VAL 91 HG21 VAL 91 -6.707 0.605 -1.300 650 2HG2 VAL 91 HG22 VAL 91 -6.063 1.987 -0.413 651 3HG2 VAL 91 HG23 VAL 91 -7.773 1.580 -0.288 652 H VAL 92 HN VAL 92 -8.276 0.014 2.971 653 HA VAL 92 HA VAL 92 -10.976 0.521 1.921 654 HB VAL 92 HB VAL 92 -11.921 -0.177 4.138 655 1HG1 VAL 92 HG11 VAL 92 -12.491 -1.821 2.732 656 2HG1 VAL 92 HG12 VAL 92 -11.237 -2.748 3.554 657 3HG1 VAL 92 HG13 VAL 92 -10.875 -1.924 2.038 658 1HG2 VAL 92 HG21 VAL 92 -10.163 -0.221 5.648 659 2HG2 VAL 92 HG22 VAL 92 -9.094 -1.079 4.538 660 3HG2 VAL 92 HG23 VAL 92 -10.425 -1.933 5.317 661 H TYR 93 HN TYR 93 -12.015 2.326 2.717 662 HA TYR 93 HA TYR 93 -10.331 4.315 3.953 663 1HB TYR 93 HB2 TYR 93 -12.335 4.500 2.146 664 2HB TYR 93 HB1 TYR 93 -13.228 4.865 3.618 665 HD1 TYR 93 HD1 TYR 93 -10.880 6.264 5.053 666 HD2 TYR 93 HD2 TYR 93 -12.514 6.653 1.144 667 HE1 TYR 93 HE1 TYR 93 -10.068 8.577 4.954 668 HE2 TYR 93 HE2 TYR 93 -11.705 8.972 1.033 669 HH TYR 93 HH TYR 93 -9.426 10.223 3.065 670 H VAL 94 HN VAL 94 -10.158 4.686 6.063 671 HA VAL 94 HA VAL 94 -12.347 3.805 7.830 672 HB VAL 94 HB VAL 94 -10.647 3.467 9.605 673 1HG1 VAL 94 HG11 VAL 94 -10.242 1.852 7.089 674 2HG1 VAL 94 HG12 VAL 94 -11.458 1.569 8.336 675 3HG1 VAL 94 HG13 VAL 94 -9.747 1.359 8.709 676 1HG2 VAL 94 HG21 VAL 94 -8.877 4.910 8.838 677 2HG2 VAL 94 HG22 VAL 94 -8.689 3.964 7.363 678 3HG2 VAL 94 HG23 VAL 94 -8.265 3.259 8.922 679 H ALA 95 HN ALA 95 -13.175 5.256 9.219 680 HA ALA 95 HA ALA 95 -11.725 7.558 10.121 681 1HB ALA 95 HB1 ALA 95 -12.567 9.216 8.850 682 2HB ALA 95 HB2 ALA 95 -14.142 8.439 8.690 683 3HB ALA 95 HB3 ALA 95 -12.797 7.925 7.672 Start of MODEL 8 1 HT1 PRO 9 HT2 PRO 9 -16.458 -3.598 3.203 2 HT2 PRO 9 HT1 PRO 9 -15.152 -2.724 3.692 3 HA PRO 9 HA PRO 9 -16.786 -2.480 1.482 4 1HB PRO 9 HB2 PRO 9 -16.104 0.213 1.990 5 2HB PRO 9 HB1 PRO 9 -17.728 -0.481 1.910 6 1HG PRO 9 HG2 PRO 9 -16.011 0.053 4.279 7 2HG PRO 9 HG1 PRO 9 -17.776 0.132 4.126 8 1HD PRO 9 HD2 PRO 9 -16.614 -1.896 5.409 9 2HD PRO 9 HD1 PRO 9 -18.023 -2.178 4.369 10 H ILE 10 HN ILE 10 -14.849 -3.713 0.927 11 HA ILE 10 HA ILE 10 -12.278 -2.425 1.039 12 HB ILE 10 HB ILE 10 -13.089 -4.910 -0.483 13 1HG1 ILE 10 HG12 ILE 10 -11.597 -5.797 1.590 14 2HG1 ILE 10 HG11 ILE 10 -12.360 -4.402 2.345 15 1HG2 ILE 10 HG21 ILE 10 -10.482 -3.542 -0.017 16 2HG2 ILE 10 HG22 ILE 10 -11.095 -4.340 -1.465 17 3HG2 ILE 10 HG23 ILE 10 -10.520 -5.302 -0.105 18 1HD1 ILE 10 HD11 ILE 10 -13.465 -6.770 2.442 19 2HD1 ILE 10 HD12 ILE 10 -14.061 -6.323 0.844 20 3HD1 ILE 10 HD13 ILE 10 -14.449 -5.321 2.242 21 H ARG 11 HN ARG 11 -11.106 -1.534 -0.618 22 HA ARG 11 HA ARG 11 -12.586 -0.985 -3.109 23 1HB ARG 11 HB2 ARG 11 -11.573 0.824 -1.196 24 2HB ARG 11 HB1 ARG 11 -10.518 0.949 -2.597 25 1HG ARG 11 HG2 ARG 11 -13.123 0.926 -3.622 26 2HG ARG 11 HG1 ARG 11 -13.169 1.980 -2.207 27 1HD ARG 11 HD2 ARG 11 -11.409 2.207 -4.637 28 2HD ARG 11 HD1 ARG 11 -12.622 3.350 -4.061 29 HE ARG 11 HE ARG 11 -10.680 3.044 -2.067 30 1HH1 ARG 11 HH11 ARG 11 -10.994 4.374 -5.287 31 2HH1 ARG 11 HH12 ARG 11 -9.742 5.546 -5.057 32 1HH2 ARG 11 HH21 ARG 11 -9.023 4.579 -1.771 33 2HH2 ARG 11 HH22 ARG 11 -8.623 5.662 -3.060 34 H LYS 12 HN LYS 12 -11.488 -1.083 -5.051 35 HA LYS 12 HA LYS 12 -8.796 -2.282 -4.938 36 1HB LYS 12 HB2 LYS 12 -10.753 -2.518 -7.229 37 2HB LYS 12 HB1 LYS 12 -9.279 -3.441 -6.978 38 1HG LYS 12 HG2 LYS 12 -11.491 -3.607 -4.978 39 2HG LYS 12 HG1 LYS 12 -11.592 -4.512 -6.488 40 1HD LYS 12 HD2 LYS 12 -9.006 -4.966 -5.525 41 2HD LYS 12 HD1 LYS 12 -10.055 -5.067 -4.111 42 1HE LYS 12 HE2 LYS 12 -10.426 -6.590 -6.690 43 2HE LYS 12 HE1 LYS 12 -9.762 -7.248 -5.195 44 1HZ LYS 12 HZ1 LYS 12 -11.922 -6.648 -4.128 45 2HZ LYS 12 HZ2 LYS 12 -12.034 -7.862 -5.299 46 3HZ LYS 12 HZ3 LYS 12 -12.531 -6.288 -5.665 47 H VAL 13 HN VAL 13 -7.233 -0.896 -5.493 48 HA VAL 13 HA VAL 13 -7.778 1.040 -7.652 49 HB VAL 13 HB VAL 13 -5.986 1.566 -5.274 50 1HG1 VAL 13 HG11 VAL 13 -5.172 2.887 -6.997 51 2HG1 VAL 13 HG12 VAL 13 -6.312 3.964 -6.192 52 3HG1 VAL 13 HG13 VAL 13 -6.773 3.153 -7.688 53 1HG2 VAL 13 HG21 VAL 13 -8.702 1.509 -5.149 54 2HG2 VAL 13 HG22 VAL 13 -8.413 3.188 -5.601 55 3HG2 VAL 13 HG23 VAL 13 -7.675 2.529 -4.142 56 H LEU 14 HN LEU 14 -6.379 1.021 -9.312 57 HA LEU 14 HA LEU 14 -4.029 -0.718 -9.115 58 1HB LEU 14 HB2 LEU 14 -5.856 0.100 -11.272 59 2HB LEU 14 HB1 LEU 14 -4.168 0.027 -11.738 60 HG LEU 14 HG LEU 14 -4.373 -2.352 -10.499 61 1HD1 LEU 14 HD11 LEU 14 -6.557 -2.592 -9.931 62 2HD1 LEU 14 HD12 LEU 14 -6.647 -3.194 -11.585 63 3HD1 LEU 14 HD13 LEU 14 -7.129 -1.537 -11.224 64 1HD2 LEU 14 HD21 LEU 14 -5.363 -2.151 -13.312 65 2HD2 LEU 14 HD22 LEU 14 -4.226 -3.296 -12.600 66 3HD2 LEU 14 HD23 LEU 14 -3.723 -1.635 -12.915 67 H LEU 15 HN LEU 15 -1.987 0.018 -9.211 68 HA LEU 15 HA LEU 15 -1.535 2.826 -9.973 69 1HB LEU 15 HB2 LEU 15 -1.525 2.506 -7.492 70 2HB LEU 15 HB1 LEU 15 -0.168 1.412 -7.682 71 HG LEU 15 HG LEU 15 0.134 4.130 -8.841 72 1HD1 LEU 15 HD11 LEU 15 0.837 5.023 -6.638 73 2HD1 LEU 15 HD12 LEU 15 0.151 3.587 -5.877 74 3HD1 LEU 15 HD13 LEU 15 -0.895 4.707 -6.751 75 1HD2 LEU 15 HD21 LEU 15 1.788 2.022 -8.583 76 2HD2 LEU 15 HD22 LEU 15 2.164 2.892 -7.097 77 3HD2 LEU 15 HD23 LEU 15 2.340 3.695 -8.657 78 H LEU 16 HN LEU 16 0.382 3.276 -11.044 79 HA LEU 16 HA LEU 16 1.883 0.916 -11.963 80 1HB LEU 16 HB2 LEU 16 0.572 2.739 -13.479 81 2HB LEU 16 HB1 LEU 16 2.164 3.470 -13.422 82 HG LEU 16 HG LEU 16 1.768 0.603 -14.247 83 1HD1 LEU 16 HD11 LEU 16 2.161 1.794 -16.594 84 2HD1 LEU 16 HD12 LEU 16 1.281 3.088 -15.782 85 3HD1 LEU 16 HD13 LEU 16 0.552 1.491 -15.941 86 1HD2 LEU 16 HD21 LEU 16 4.032 1.305 -13.605 87 2HD2 LEU 16 HD22 LEU 16 3.963 2.597 -14.804 88 3HD2 LEU 16 HD23 LEU 16 3.926 0.912 -15.321 89 H LYS 17 HN LYS 17 3.799 0.675 -11.023 90 HA LYS 17 HA LYS 17 5.195 2.998 -9.927 91 1HB LYS 17 HB2 LYS 17 4.862 0.960 -8.532 92 2HB LYS 17 HB1 LYS 17 5.858 0.057 -9.663 93 1HG LYS 17 HG2 LYS 17 7.552 2.055 -9.077 94 2HG LYS 17 HG1 LYS 17 6.629 1.993 -7.574 95 1HD LYS 17 HD2 LYS 17 7.485 -0.615 -8.651 96 2HD LYS 17 HD1 LYS 17 8.786 0.443 -8.103 97 1HE LYS 17 HE2 LYS 17 8.111 0.373 -5.920 98 2HE LYS 17 HE1 LYS 17 6.417 0.119 -6.336 99 1HZ LYS 17 HZ1 LYS 17 7.092 -2.170 -7.062 100 2HZ LYS 17 HZ2 LYS 17 7.210 -1.885 -5.399 101 3HZ LYS 17 HZ3 LYS 17 8.603 -1.885 -6.356 102 H GLU 18 HN GLU 18 7.101 3.762 -10.685 103 HA GLU 18 HA GLU 18 8.267 2.401 -13.029 104 1HB GLU 18 HB2 GLU 18 7.193 5.004 -12.827 105 2HB GLU 18 HB1 GLU 18 8.937 5.200 -12.924 106 1HG GLU 18 HG2 GLU 18 8.916 4.796 -15.095 107 2HG GLU 18 HG1 GLU 18 8.073 3.267 -14.853 108 H ASP 19 HN ASP 19 10.566 2.603 -13.324 109 HA ASP 19 HA ASP 19 12.074 2.152 -11.017 110 1HB ASP 19 HB2 ASP 19 12.670 2.592 -13.883 111 2HB ASP 19 HB1 ASP 19 13.999 2.895 -12.769 112 H HIS 20 HN HIS 20 11.518 5.127 -12.830 113 HA HIS 20 HA HIS 20 13.378 6.639 -11.222 114 1HB HIS 20 HB2 HIS 20 12.700 8.555 -12.554 115 2HB HIS 20 HB1 HIS 20 13.032 7.184 -13.601 116 HD1 HIS 20 HD1 HIS 20 10.452 9.631 -12.755 117 HD2 HIS 20 HD2 HIS 20 10.633 5.954 -14.678 118 HE1 HIS 20 HE1 HIS 20 8.294 9.434 -14.031 119 HE2 HIS 20 HE2 HIS 20 8.356 7.128 -15.044 120 H GLU 21 HN GLU 21 9.954 5.927 -11.165 121 HA GLU 21 HA GLU 21 9.516 7.972 -9.101 122 1HB GLU 21 HB2 GLU 21 7.605 6.362 -10.793 123 2HB GLU 21 HB1 GLU 21 7.075 7.313 -9.412 124 1HG GLU 21 HG2 GLU 21 8.720 8.648 -11.490 125 2HG GLU 21 HG1 GLU 21 7.036 8.279 -11.858 126 H GLY 22 HN GLY 22 9.935 7.278 -7.105 127 1HA GLY 22 HA2 GLY 22 10.010 4.566 -6.323 128 2HA GLY 22 HA1 GLY 22 10.047 5.946 -5.241 129 H LEU 23 HN LEU 23 8.741 4.867 -3.722 130 HA LEU 23 HA LEU 23 6.275 3.661 -4.279 131 1HB LEU 23 HB2 LEU 23 7.837 4.032 -2.026 132 2HB LEU 23 HB1 LEU 23 6.380 4.931 -1.654 133 HG LEU 23 HG LEU 23 6.509 2.012 -2.419 134 1HD1 LEU 23 HD11 LEU 23 6.398 3.470 0.161 135 2HD1 LEU 23 HD12 LEU 23 7.185 1.946 -0.249 136 3HD1 LEU 23 HD13 LEU 23 5.441 1.996 0.008 137 1HD2 LEU 23 HD21 LEU 23 4.427 2.508 -3.174 138 2HD2 LEU 23 HD22 LEU 23 4.273 3.935 -2.151 139 3HD2 LEU 23 HD23 LEU 23 4.037 2.328 -1.463 140 H GLY 24 HN GLY 24 6.807 6.901 -2.828 141 1HA GLY 24 HA2 GLY 24 5.679 8.866 -3.521 142 2HA GLY 24 HA1 GLY 24 4.462 7.870 -4.296 143 H ILE 25 HN ILE 25 4.634 6.329 -1.507 144 HA ILE 25 HA ILE 25 3.045 8.229 0.063 145 HB ILE 25 HB ILE 25 1.441 6.380 0.624 146 1HG1 ILE 25 HG12 ILE 25 2.411 5.043 -1.896 147 2HG1 ILE 25 HG11 ILE 25 3.055 4.600 -0.319 148 1HG2 ILE 25 HG21 ILE 25 1.619 7.830 -1.922 149 2HG2 ILE 25 HG22 ILE 25 0.318 7.771 -0.734 150 3HG2 ILE 25 HG23 ILE 25 0.496 6.472 -1.912 151 1HD1 ILE 25 HD11 ILE 25 0.667 3.732 -1.588 152 2HD1 ILE 25 HD12 ILE 25 0.246 4.580 -0.101 153 3HD1 ILE 25 HD13 ILE 25 1.359 3.213 -0.051 154 H SER 26 HN SER 26 2.946 7.757 2.315 155 HA SER 26 HA SER 26 5.029 5.878 3.219 156 1HB SER 26 HB2 SER 26 4.396 8.663 3.997 157 2HB SER 26 HB1 SER 26 4.797 7.569 5.322 158 HG SER 26 HG SER 26 6.776 7.217 4.436 159 H ILE 27 HN ILE 27 4.540 4.410 4.758 160 HA ILE 27 HA ILE 27 1.783 4.425 5.809 161 HB ILE 27 HB ILE 27 2.052 1.917 5.977 162 1HG1 ILE 27 HG12 ILE 27 4.292 2.323 3.991 163 2HG1 ILE 27 HG11 ILE 27 4.577 2.025 5.701 164 1HG2 ILE 27 HG21 ILE 27 1.717 1.595 3.468 165 2HG2 ILE 27 HG22 ILE 27 1.948 3.339 3.337 166 3HG2 ILE 27 HG23 ILE 27 0.618 2.696 4.300 167 1HD1 ILE 27 HD11 ILE 27 3.625 -0.138 5.567 168 2HD1 ILE 27 HD12 ILE 27 4.739 0.026 4.210 169 3HD1 ILE 27 HD13 ILE 27 3.001 0.167 3.947 170 H THR 28 HN THR 28 1.439 3.492 7.906 171 HA THR 28 HA THR 28 3.809 3.205 9.595 172 HB THR 28 HB THR 28 3.167 5.548 9.822 173 HG1 THR 28 HG1 THR 28 3.899 4.849 11.722 174 1HG2 THR 28 HG21 THR 28 1.111 6.366 10.288 175 2HG2 THR 28 HG22 THR 28 0.600 4.914 11.147 176 3HG2 THR 28 HG23 THR 28 0.628 4.932 9.384 177 H GLY 29 HN GLY 29 3.524 1.921 11.431 178 1HA GLY 29 HA2 GLY 29 1.790 0.894 12.946 179 2HA GLY 29 HA1 GLY 29 1.001 0.380 11.462 180 H GLY 30 HN GLY 30 1.216 -1.775 12.536 181 1HA GLY 30 HA2 GLY 30 3.265 -3.284 11.334 182 2HA GLY 30 HA1 GLY 30 3.699 -3.001 13.012 183 H LYS 31 HN LYS 31 2.156 -5.078 10.933 184 HA LYS 31 HA LYS 31 -0.058 -5.977 12.403 185 1HB LYS 31 HB2 LYS 31 0.853 -6.564 9.974 186 2HB LYS 31 HB1 LYS 31 1.520 -7.949 10.828 187 1HG LYS 31 HG2 LYS 31 -0.588 -8.575 9.916 188 2HG LYS 31 HG1 LYS 31 -0.765 -8.456 11.668 189 1HD LYS 31 HD2 LYS 31 -1.484 -5.981 11.062 190 2HD LYS 31 HD1 LYS 31 -1.879 -6.730 9.514 191 1HE LYS 31 HE2 LYS 31 -3.862 -6.858 10.754 192 2HE LYS 31 HE1 LYS 31 -3.157 -8.469 10.871 193 1HZ LYS 31 HZ1 LYS 31 -2.405 -6.608 12.969 194 2HZ LYS 31 HZ2 LYS 31 -2.796 -8.249 13.066 195 3HZ LYS 31 HZ3 LYS 31 -4.025 -7.092 12.970 196 H GLU 32 HN GLU 32 3.360 -6.648 12.769 197 HA GLU 32 HA GLU 32 3.256 -8.992 14.288 198 1HB GLU 32 HB2 GLU 32 5.277 -7.571 13.350 199 2HB GLU 32 HB1 GLU 32 5.248 -6.865 14.959 200 1HG GLU 32 HG2 GLU 32 5.296 -9.310 15.781 201 2HG GLU 32 HG1 GLU 32 5.836 -9.675 14.144 202 H HIS 33 HN HIS 33 2.627 -5.661 15.177 203 HA HIS 33 HA HIS 33 2.629 -6.156 18.015 204 1HB HIS 33 HB2 HIS 33 1.499 -3.781 16.520 205 2HB HIS 33 HB1 HIS 33 1.883 -3.859 18.235 206 HD1 HIS 33 HD1 HIS 33 4.144 -3.048 18.876 207 HD2 HIS 33 HD2 HIS 33 3.909 -3.984 14.836 208 HE1 HIS 33 HE1 HIS 33 6.344 -2.332 17.891 209 HE2 HIS 33 HE2 HIS 33 6.231 -3.047 15.478 210 H GLY 34 HN GLY 34 0.322 -6.383 15.443 211 1HA GLY 34 HA2 GLY 34 -1.637 -7.780 15.933 212 2HA GLY 34 HA1 GLY 34 -1.803 -6.885 17.433 213 H VAL 35 HN VAL 35 -0.961 -5.099 14.575 214 HA VAL 35 HA VAL 35 -3.742 -4.404 14.025 215 HB VAL 35 HB VAL 35 -3.142 -1.950 14.041 216 1HG1 VAL 35 HG11 VAL 35 -3.493 -1.695 16.447 217 2HG1 VAL 35 HG12 VAL 35 -3.092 -3.396 16.687 218 3HG1 VAL 35 HG13 VAL 35 -4.533 -2.950 15.773 219 1HG2 VAL 35 HG21 VAL 35 -0.698 -3.065 15.371 220 2HG2 VAL 35 HG22 VAL 35 -1.265 -1.433 15.726 221 3HG2 VAL 35 HG23 VAL 35 -0.815 -1.870 14.078 222 HA PRO 36 HA PRO 36 -2.161 -4.409 9.873 223 1HB PRO 36 HB2 PRO 36 -4.148 -2.999 8.650 224 2HB PRO 36 HB1 PRO 36 -4.318 -4.687 9.146 225 1HG PRO 36 HG2 PRO 36 -5.260 -2.202 10.525 226 2HG PRO 36 HG1 PRO 36 -6.099 -3.749 10.305 227 1HD PRO 36 HD2 PRO 36 -4.887 -3.074 12.625 228 2HD PRO 36 HD1 PRO 36 -4.976 -4.751 12.051 229 H ILE 37 HN ILE 37 -1.261 -3.009 8.279 230 HA ILE 37 HA ILE 37 -0.348 -0.480 9.372 231 HB ILE 37 HB ILE 37 0.344 -1.669 6.681 232 1HG1 ILE 37 HG12 ILE 37 2.357 -1.913 8.792 233 2HG1 ILE 37 HG11 ILE 37 0.899 -2.838 9.133 234 1HG2 ILE 37 HG21 ILE 37 1.899 -0.051 6.454 235 2HG2 ILE 37 HG22 ILE 37 2.253 0.010 8.180 236 3HG2 ILE 37 HG23 ILE 37 0.828 0.830 7.543 237 1HD1 ILE 37 HD11 ILE 37 2.153 -4.371 7.992 238 2HD1 ILE 37 HD12 ILE 37 2.879 -3.158 6.938 239 3HD1 ILE 37 HD13 ILE 37 1.211 -3.668 6.677 240 H LEU 38 HN LEU 38 -0.886 1.537 8.650 241 HA LEU 38 HA LEU 38 -2.769 1.722 6.390 242 1HB LEU 38 HB2 LEU 38 -2.929 3.126 9.056 243 2HB LEU 38 HB1 LEU 38 -3.882 3.590 7.659 244 HG LEU 38 HG LEU 38 -4.694 1.113 7.705 245 1HD1 LEU 38 HD11 LEU 38 -3.613 -0.069 9.278 246 2HD1 LEU 38 HD12 LEU 38 -4.804 0.649 10.361 247 3HD1 LEU 38 HD13 LEU 38 -3.197 1.360 10.223 248 1HD2 LEU 38 HD21 LEU 38 -6.279 1.882 9.700 249 2HD2 LEU 38 HD22 LEU 38 -6.397 2.567 8.080 250 3HD2 LEU 38 HD23 LEU 38 -5.526 3.437 9.343 251 H ILE 39 HN ILE 39 -2.730 3.676 5.189 252 HA ILE 39 HA ILE 39 -0.125 4.970 5.156 253 HB ILE 39 HB ILE 39 -2.463 5.484 3.311 254 1HG1 ILE 39 HG12 ILE 39 -0.139 3.712 2.616 255 2HG1 ILE 39 HG11 ILE 39 -1.530 3.050 3.467 256 1HG2 ILE 39 HG21 ILE 39 0.366 5.800 2.478 257 2HG2 ILE 39 HG22 ILE 39 -0.307 7.013 3.566 258 3HG2 ILE 39 HG23 ILE 39 -1.066 6.713 2.003 259 1HD1 ILE 39 HD11 ILE 39 -2.724 2.954 1.604 260 2HD1 ILE 39 HD12 ILE 39 -1.228 3.304 0.738 261 3HD1 ILE 39 HD13 ILE 39 -2.324 4.616 1.171 262 H SER 40 HN SER 40 0.275 6.836 6.160 263 HA SER 40 HA SER 40 -1.997 8.584 6.847 264 1HB SER 40 HB2 SER 40 0.407 7.738 8.343 265 2HB SER 40 HB1 SER 40 -0.039 9.435 8.515 266 HG SER 40 HG SER 40 -1.801 7.242 8.919 267 H GLU 41 HN GLU 41 1.154 8.469 5.300 268 HA GLU 41 HA GLU 41 0.990 11.369 4.810 269 1HB GLU 41 HB2 GLU 41 3.219 9.533 5.313 270 2HB GLU 41 HB1 GLU 41 3.484 10.602 3.942 271 1HG GLU 41 HG2 GLU 41 3.688 12.431 5.235 272 2HG GLU 41 HG1 GLU 41 2.454 11.898 6.376 273 H ILE 42 HN ILE 42 1.123 12.180 2.730 274 HA ILE 42 HA ILE 42 1.163 10.243 0.514 275 HB ILE 42 HB ILE 42 -0.753 12.577 0.636 276 1HG1 ILE 42 HG12 ILE 42 -1.333 10.827 2.313 277 2HG1 ILE 42 HG11 ILE 42 -2.542 11.002 1.047 278 1HG2 ILE 42 HG21 ILE 42 -0.628 12.215 -1.587 279 2HG2 ILE 42 HG22 ILE 42 -1.761 10.916 -1.217 280 3HG2 ILE 42 HG23 ILE 42 -0.043 10.562 -1.398 281 1HD1 ILE 42 HD11 ILE 42 -2.047 8.961 0.110 282 2HD1 ILE 42 HD12 ILE 42 -1.812 8.644 1.829 283 3HD1 ILE 42 HD13 ILE 42 -0.418 8.925 0.786 284 H HIS 43 HN HIS 43 2.704 10.784 -0.915 285 HA HIS 43 HA HIS 43 3.697 13.539 -0.922 286 1HB HIS 43 HB2 HIS 43 4.864 10.905 -1.732 287 2HB HIS 43 HB1 HIS 43 5.497 12.381 -2.450 288 HD1 HIS 43 HD1 HIS 43 6.459 14.178 -0.689 289 HD2 HIS 43 HD2 HIS 43 5.849 10.327 0.751 290 HE1 HIS 43 HE1 HIS 43 7.786 14.040 1.442 291 HE2 HIS 43 HE2 HIS 43 7.322 11.734 2.346 292 HA PRO 44 HA PRO 44 1.321 14.061 -4.716 293 1HB PRO 44 HB2 PRO 44 1.897 16.706 -5.022 294 2HB PRO 44 HB1 PRO 44 0.650 16.105 -3.924 295 1HG PRO 44 HG2 PRO 44 3.446 16.980 -3.325 296 2HG PRO 44 HG1 PRO 44 1.956 17.285 -2.414 297 1HD PRO 44 HD2 PRO 44 3.759 15.387 -1.701 298 2HD PRO 44 HD1 PRO 44 2.020 15.230 -1.380 299 H GLY 45 HN GLY 45 1.816 14.322 -6.907 300 1HA GLY 45 HA2 GLY 45 3.282 14.986 -8.692 301 2HA GLY 45 HA1 GLY 45 4.637 14.827 -7.585 302 H GLN 46 HN GLN 46 3.897 12.271 -6.518 303 HA GLN 46 HA GLN 46 4.919 10.606 -8.645 304 1HB GLN 46 HB2 GLN 46 4.807 10.528 -5.749 305 2HB GLN 46 HB1 GLN 46 4.320 8.987 -6.439 306 1HG GLN 46 HG2 GLN 46 6.381 8.589 -7.361 307 2HG GLN 46 HG1 GLN 46 6.786 10.301 -7.456 308 1HE2 GLN 46 HE21 GLN 46 6.672 11.310 -5.086 309 2HE2 GLN 46 HE22 GLN 46 7.643 10.460 -3.937 310 HA PRO 47 HA PRO 47 1.427 8.260 -10.022 311 1HB PRO 47 HB2 PRO 47 2.176 5.950 -8.285 312 2HB PRO 47 HB1 PRO 47 1.797 5.983 -10.011 313 1HG PRO 47 HG2 PRO 47 4.311 5.772 -9.200 314 2HG PRO 47 HG1 PRO 47 3.896 6.799 -10.586 315 1HD PRO 47 HD2 PRO 47 4.585 7.577 -7.787 316 2HD PRO 47 HD1 PRO 47 4.978 8.393 -9.315 317 H ALA 48 HN ALA 48 1.973 8.110 -6.528 318 HA ALA 48 HA ALA 48 -0.528 7.189 -5.699 319 1HB ALA 48 HB1 ALA 48 1.376 7.377 -4.189 320 2HB ALA 48 HB2 ALA 48 -0.017 8.245 -3.546 321 3HB ALA 48 HB3 ALA 48 1.305 9.136 -4.298 322 H ASP 49 HN ASP 49 0.581 10.524 -6.280 323 HA ASP 49 HA ASP 49 -1.912 11.728 -5.598 324 1HB ASP 49 HB2 ASP 49 0.573 12.712 -5.898 325 2HB ASP 49 HB1 ASP 49 -0.090 13.139 -7.472 326 H ARG 50 HN ARG 50 -0.393 10.762 -8.650 327 HA ARG 50 HA ARG 50 -2.345 11.806 -10.393 328 1HB ARG 50 HB2 ARG 50 -0.619 9.360 -10.804 329 2HB ARG 50 HB1 ARG 50 -1.432 10.278 -12.062 330 1HG ARG 50 HG2 ARG 50 0.020 12.085 -11.855 331 2HG ARG 50 HG1 ARG 50 0.576 11.576 -10.260 332 1HD ARG 50 HD2 ARG 50 2.359 10.882 -11.486 333 2HD ARG 50 HD1 ARG 50 1.354 9.442 -11.632 334 HE ARG 50 HE ARG 50 1.092 9.885 -13.863 335 1HH1 ARG 50 HH11 ARG 50 2.388 12.740 -12.295 336 2HH1 ARG 50 HH12 ARG 50 2.700 13.566 -13.784 337 1HH2 ARG 50 HH21 ARG 50 1.496 10.985 -15.822 338 2HH2 ARG 50 HH22 ARG 50 2.193 12.570 -15.788 339 H CYS 51 HN CYS 51 -2.247 8.866 -8.488 340 HA CYS 51 HA CYS 51 -4.328 7.492 -9.851 341 1HB CYS 51 HB2 CYS 51 -2.523 6.704 -8.039 342 2HB CYS 51 HB1 CYS 51 -3.878 6.991 -6.952 343 HG CYS 51 HG CYS 51 -3.546 4.583 -8.653 344 H GLY 52 HN GLY 52 -4.296 9.949 -7.349 345 1HA GLY 52 HA2 GLY 52 -6.050 11.257 -6.593 346 2HA GLY 52 HA1 GLY 52 -7.132 10.345 -7.633 347 H GLY 53 HN GLY 53 -7.150 7.861 -6.787 348 1HA GLY 53 HA2 GLY 53 -8.715 7.834 -4.493 349 2HA GLY 53 HA1 GLY 53 -7.941 6.423 -5.194 350 H LEU 54 HN LEU 54 -5.235 7.762 -4.713 351 HA LEU 54 HA LEU 54 -4.705 6.541 -2.213 352 1HB LEU 54 HB2 LEU 54 -3.191 7.557 -4.343 353 2HB LEU 54 HB1 LEU 54 -2.719 8.519 -2.957 354 HG LEU 54 HG LEU 54 -1.189 6.707 -3.115 355 1HD1 LEU 54 HD11 LEU 54 -2.463 7.277 -0.852 356 2HD1 LEU 54 HD12 LEU 54 -1.218 6.033 -0.955 357 3HD1 LEU 54 HD13 LEU 54 -2.921 5.580 -0.998 358 1HD2 LEU 54 HD21 LEU 54 -3.470 4.749 -3.015 359 2HD2 LEU 54 HD22 LEU 54 -1.765 4.425 -3.330 360 3HD2 LEU 54 HD23 LEU 54 -2.733 5.291 -4.523 361 H HIS 55 HN HIS 55 -6.060 7.429 -0.663 362 HA HIS 55 HA HIS 55 -5.568 10.245 0.047 363 1HB HIS 55 HB2 HIS 55 -7.779 10.192 1.164 364 2HB HIS 55 HB1 HIS 55 -7.898 9.853 -0.559 365 HD1 HIS 55 HD1 HIS 55 -7.581 7.787 2.638 366 HD2 HIS 55 HD2 HIS 55 -9.527 7.736 -1.035 367 HE1 HIS 55 HE1 HIS 55 -8.988 5.707 2.650 368 HE2 HIS 55 HE2 HIS 55 -10.110 5.665 0.397 369 H VAL 56 HN VAL 56 -5.537 10.776 2.334 370 HA VAL 56 HA VAL 56 -3.887 9.052 3.847 371 HB VAL 56 HB VAL 56 -5.546 11.333 4.938 372 1HG1 VAL 56 HG11 VAL 56 -4.584 10.007 6.689 373 2HG1 VAL 56 HG12 VAL 56 -3.667 11.507 6.563 374 3HG1 VAL 56 HG13 VAL 56 -3.010 10.014 5.894 375 1HG2 VAL 56 HG21 VAL 56 -3.106 12.422 4.590 376 2HG2 VAL 56 HG22 VAL 56 -4.414 12.558 3.414 377 3HG2 VAL 56 HG23 VAL 56 -3.161 11.336 3.201 378 H GLY 57 HN GLY 57 -4.324 7.598 5.451 379 1HA GLY 57 HA2 GLY 57 -5.607 6.489 7.075 380 2HA GLY 57 HA1 GLY 57 -7.030 7.354 6.516 381 H ASP 58 HN ASP 58 -4.693 5.329 4.750 382 HA ASP 58 HA ASP 58 -6.958 3.646 3.899 383 1HB ASP 58 HB2 ASP 58 -4.775 4.889 2.423 384 2HB ASP 58 HB1 ASP 58 -4.874 3.157 2.120 385 H ALA 59 HN ALA 59 -6.990 1.627 4.666 386 HA ALA 59 HA ALA 59 -4.555 0.517 5.857 387 1HB ALA 59 HB1 ALA 59 -6.964 0.586 6.919 388 2HB ALA 59 HB2 ALA 59 -5.884 -0.780 7.197 389 3HB ALA 59 HB3 ALA 59 -7.168 -0.902 5.995 390 H ILE 60 HN ILE 60 -3.338 -0.901 4.798 391 HA ILE 60 HA ILE 60 -4.168 -1.985 2.268 392 HB ILE 60 HB ILE 60 -1.682 -2.726 3.811 393 1HG1 ILE 60 HG12 ILE 60 -0.884 -0.926 1.891 394 2HG1 ILE 60 HG11 ILE 60 -2.402 -0.226 2.441 395 1HG2 ILE 60 HG21 ILE 60 -0.940 -3.751 1.942 396 2HG2 ILE 60 HG22 ILE 60 -1.719 -2.595 0.863 397 3HG2 ILE 60 HG23 ILE 60 -2.663 -3.890 1.598 398 1HD1 ILE 60 HD11 ILE 60 0.184 -0.369 3.760 399 2HD1 ILE 60 HD12 ILE 60 -1.154 -0.876 4.790 400 3HD1 ILE 60 HD13 ILE 60 -1.176 0.718 4.038 401 H LEU 61 HN LEU 61 -4.863 -3.982 1.781 402 HA LEU 61 HA LEU 61 -4.969 -5.976 3.951 403 1HB LEU 61 HB2 LEU 61 -7.038 -5.335 1.853 404 2HB LEU 61 HB1 LEU 61 -7.077 -6.795 2.822 405 HG LEU 61 HG LEU 61 -7.014 -4.097 4.139 406 1HD1 LEU 61 HD11 LEU 61 -9.637 -5.399 3.764 407 2HD1 LEU 61 HD12 LEU 61 -8.948 -4.599 2.351 408 3HD1 LEU 61 HD13 LEU 61 -9.213 -3.688 3.838 409 1HD2 LEU 61 HD21 LEU 61 -8.562 -6.348 5.230 410 2HD2 LEU 61 HD22 LEU 61 -7.477 -5.215 6.037 411 3HD2 LEU 61 HD23 LEU 61 -6.817 -6.595 5.161 412 H ALA 62 HN ALA 62 -5.063 -5.601 0.389 413 HA ALA 62 HA ALA 62 -3.287 -7.917 0.160 414 1HB ALA 62 HB1 ALA 62 -4.657 -9.224 -1.075 415 2HB ALA 62 HB2 ALA 62 -5.483 -7.854 -1.818 416 3HB ALA 62 HB3 ALA 62 -5.907 -8.359 -0.182 417 H VAL 63 HN VAL 63 -1.973 -7.926 -1.669 418 HA VAL 63 HA VAL 63 -2.223 -5.649 -3.511 419 HB VAL 63 HB VAL 63 0.415 -6.474 -2.285 420 1HG1 VAL 63 HG11 VAL 63 1.325 -4.544 -3.381 421 2HG1 VAL 63 HG12 VAL 63 -0.273 -4.040 -3.927 422 3HG1 VAL 63 HG13 VAL 63 0.461 -5.503 -4.582 423 1HG2 VAL 63 HG21 VAL 63 -1.599 -4.473 -1.430 424 2HG2 VAL 63 HG22 VAL 63 0.097 -3.999 -1.355 425 3HG2 VAL 63 HG23 VAL 63 -0.462 -5.419 -0.472 426 H ASN 64 HN ASN 64 -2.378 -6.457 -5.490 427 HA ASN 64 HA ASN 64 -2.102 -7.753 -7.332 428 1HB ASN 64 HB2 ASN 64 0.425 -7.182 -6.462 429 2HB ASN 64 HB1 ASN 64 0.466 -8.941 -6.499 430 1HD2 ASN 64 HD21 ASN 64 2.043 -7.379 -8.158 431 2HD2 ASN 64 HD22 ASN 64 1.519 -7.589 -9.791 432 H GLY 65 HN GLY 65 -3.446 -8.880 -5.024 433 1HA GLY 65 HA2 GLY 65 -4.537 -10.936 -4.793 434 2HA GLY 65 HA1 GLY 65 -3.315 -11.677 -5.810 435 H VAL 66 HN VAL 66 -1.327 -10.184 -3.856 436 HA VAL 66 HA VAL 66 -0.955 -12.481 -2.145 437 HB VAL 66 HB VAL 66 0.611 -9.895 -2.172 438 1HG1 VAL 66 HG11 VAL 66 1.884 -12.452 -1.439 439 2HG1 VAL 66 HG12 VAL 66 0.705 -11.821 -0.290 440 3HG1 VAL 66 HG13 VAL 66 2.092 -10.840 -0.756 441 1HG2 VAL 66 HG21 VAL 66 1.769 -12.262 -3.469 442 2HG2 VAL 66 HG22 VAL 66 1.801 -10.568 -3.958 443 3HG2 VAL 66 HG23 VAL 66 0.385 -11.559 -4.306 444 H ASN 67 HN ASN 67 -1.471 -12.649 -0.034 445 HA ASN 67 HA ASN 67 -3.137 -10.635 1.148 446 1HB ASN 67 HB2 ASN 67 -3.254 -12.185 3.081 447 2HB ASN 67 HB1 ASN 67 -3.635 -12.982 1.559 448 1HD2 ASN 67 HD21 ASN 67 -2.047 -13.363 4.381 449 2HD2 ASN 67 HD22 ASN 67 -0.847 -14.508 3.898 450 H LEU 68 HN LEU 68 -2.547 -9.010 2.431 451 HA LEU 68 HA LEU 68 0.138 -9.098 3.648 452 1HB LEU 68 HB2 LEU 68 -0.933 -7.225 1.811 453 2HB LEU 68 HB1 LEU 68 -0.792 -6.408 3.356 454 HG LEU 68 HG LEU 68 1.582 -7.960 2.515 455 1HD1 LEU 68 HD11 LEU 68 2.332 -6.489 0.861 456 2HD1 LEU 68 HD12 LEU 68 1.069 -5.308 1.209 457 3HD1 LEU 68 HD13 LEU 68 0.659 -6.831 0.420 458 1HD2 LEU 68 HD21 LEU 68 1.037 -6.161 4.480 459 2HD2 LEU 68 HD22 LEU 68 1.788 -5.131 3.262 460 3HD2 LEU 68 HD23 LEU 68 2.650 -6.539 3.880 461 H ARG 69 HN ARG 69 -3.051 -9.286 4.409 462 HA ARG 69 HA ARG 69 -3.243 -7.454 6.579 463 1HB ARG 69 HB2 ARG 69 -5.143 -8.646 5.274 464 2HB ARG 69 HB1 ARG 69 -4.862 -9.978 6.387 465 1HG ARG 69 HG2 ARG 69 -5.122 -8.116 8.211 466 2HG ARG 69 HG1 ARG 69 -5.968 -7.262 6.920 467 1HD ARG 69 HD2 ARG 69 -7.363 -9.351 6.629 468 2HD ARG 69 HD1 ARG 69 -6.645 -9.934 8.130 469 HE ARG 69 HE ARG 69 -7.807 -7.330 8.402 470 1HH1 ARG 69 HH11 ARG 69 -8.541 -10.758 8.382 471 2HH1 ARG 69 HH12 ARG 69 -9.966 -10.583 9.350 472 1HH2 ARG 69 HH21 ARG 69 -9.692 -7.110 9.676 473 2HH2 ARG 69 HH22 ARG 69 -10.619 -8.515 10.083 474 H ASP 70 HN ASP 70 -2.074 -10.756 6.263 475 HA ASP 70 HA ASP 70 -1.688 -10.885 9.174 476 1HB ASP 70 HB2 ASP 70 -2.730 -12.775 7.496 477 2HB ASP 70 HB1 ASP 70 -1.051 -13.295 7.613 478 H THR 71 HN THR 71 0.048 -9.607 6.852 479 HA THR 71 HA THR 71 2.580 -10.944 7.502 480 HB THR 71 HB THR 71 3.531 -9.849 5.592 481 HG1 THR 71 HG1 THR 71 1.256 -8.233 5.758 482 1HG2 THR 71 HG21 THR 71 0.819 -10.986 5.042 483 2HG2 THR 71 HG22 THR 71 2.404 -11.720 4.797 484 3HG2 THR 71 HG23 THR 71 1.871 -10.409 3.746 485 H LYS 72 HN LYS 72 4.390 -9.771 8.247 486 HA LYS 72 HA LYS 72 3.751 -7.640 10.057 487 1HB LYS 72 HB2 LYS 72 6.220 -9.181 9.371 488 2HB LYS 72 HB1 LYS 72 6.379 -7.675 10.262 489 1HG LYS 72 HG2 LYS 72 6.216 -9.082 12.019 490 2HG LYS 72 HG1 LYS 72 4.493 -8.813 11.753 491 1HD LYS 72 HD2 LYS 72 4.166 -10.900 10.855 492 2HD LYS 72 HD1 LYS 72 5.828 -11.029 10.277 493 1HE LYS 72 HE2 LYS 72 5.795 -12.539 12.029 494 2HE LYS 72 HE1 LYS 72 6.441 -11.087 12.793 495 1HZ LYS 72 HZ1 LYS 72 3.857 -10.722 13.232 496 2HZ LYS 72 HZ2 LYS 72 4.848 -11.582 14.298 497 3HZ LYS 72 HZ3 LYS 72 3.877 -12.413 13.190 498 H HIS 73 HN HIS 73 4.957 -5.580 10.142 499 HA HIS 73 HA HIS 73 4.633 -4.041 7.852 500 1HB HIS 73 HB2 HIS 73 4.826 -3.155 10.181 501 2HB HIS 73 HB1 HIS 73 6.559 -3.453 10.110 502 HD1 HIS 73 HD1 HIS 73 7.837 -1.414 9.580 503 HD2 HIS 73 HD2 HIS 73 4.069 -1.355 7.826 504 HE1 HIS 73 HE1 HIS 73 7.681 0.799 8.395 505 HE2 HIS 73 HE2 HIS 73 5.367 0.841 7.400 506 H LYS 74 HN LYS 74 7.663 -5.399 9.173 507 HA LYS 74 HA LYS 74 9.349 -4.410 7.143 508 1HB LYS 74 HB2 LYS 74 9.645 -6.799 8.972 509 2HB LYS 74 HB1 LYS 74 10.906 -6.265 7.870 510 1HG LYS 74 HG2 LYS 74 9.744 -4.688 10.159 511 2HG LYS 74 HG1 LYS 74 11.337 -5.443 10.096 512 1HD LYS 74 HD2 LYS 74 11.437 -3.918 7.868 513 2HD LYS 74 HD1 LYS 74 10.375 -2.934 8.878 514 1HE LYS 74 HE2 LYS 74 12.001 -2.649 10.522 515 2HE LYS 74 HE1 LYS 74 12.936 -4.037 9.972 516 1HZ LYS 74 HZ1 LYS 74 13.906 -1.817 9.431 517 2HZ LYS 74 HZ2 LYS 74 12.615 -1.561 8.369 518 3HZ LYS 74 HZ3 LYS 74 13.694 -2.835 8.096 519 H GLU 75 HN GLU 75 7.447 -7.373 7.403 520 HA GLU 75 HA GLU 75 8.488 -8.712 5.153 521 1HB GLU 75 HB2 GLU 75 5.920 -8.873 6.688 522 2HB GLU 75 HB1 GLU 75 6.071 -9.741 5.167 523 1HG GLU 75 HG2 GLU 75 8.165 -10.782 6.130 524 2HG GLU 75 HG1 GLU 75 7.663 -10.110 7.681 525 H ALA 76 HN ALA 76 5.932 -6.305 5.514 526 HA ALA 76 HA ALA 76 4.845 -6.484 2.924 527 1HB ALA 76 HB1 ALA 76 3.748 -4.439 3.384 528 2HB ALA 76 HB2 ALA 76 4.961 -3.972 4.577 529 3HB ALA 76 HB3 ALA 76 3.852 -5.299 4.921 530 H VAL 77 HN VAL 77 7.598 -4.694 4.202 531 HA VAL 77 HA VAL 77 8.030 -2.996 2.000 532 HB VAL 77 HB VAL 77 10.179 -4.113 3.809 533 1HG1 VAL 77 HG11 VAL 77 9.997 -1.780 1.948 534 2HG1 VAL 77 HG12 VAL 77 11.288 -2.966 2.135 535 3HG1 VAL 77 HG13 VAL 77 11.064 -1.709 3.350 536 1HG2 VAL 77 HG21 VAL 77 8.174 -1.925 4.257 537 2HG2 VAL 77 HG22 VAL 77 9.734 -1.924 5.080 538 3HG2 VAL 77 HG23 VAL 77 8.611 -3.262 5.320 539 H THR 78 HN THR 78 9.223 -6.256 2.731 540 HA THR 78 HA THR 78 10.905 -6.480 0.468 541 HB THR 78 HB THR 78 9.611 -8.907 1.638 542 HG1 THR 78 HG1 THR 78 10.610 -8.702 3.531 543 1HG2 THR 78 HG21 THR 78 12.533 -8.607 1.502 544 2HG2 THR 78 HG22 THR 78 11.682 -8.646 -0.042 545 3HG2 THR 78 HG23 THR 78 11.505 -9.982 1.096 546 H ILE 79 HN ILE 79 7.572 -7.596 1.074 547 HA ILE 79 HA ILE 79 7.159 -8.790 -1.439 548 HB ILE 79 HB ILE 79 5.052 -7.506 0.309 549 1HG1 ILE 79 HG12 ILE 79 5.642 -10.444 0.296 550 2HG1 ILE 79 HG11 ILE 79 6.647 -9.376 1.267 551 1HG2 ILE 79 HG21 ILE 79 3.582 -9.230 -0.785 552 2HG2 ILE 79 HG22 ILE 79 4.900 -9.526 -1.919 553 3HG2 ILE 79 HG23 ILE 79 4.143 -7.934 -1.842 554 1HD1 ILE 79 HD11 ILE 79 4.386 -10.557 2.137 555 2HD1 ILE 79 HD12 ILE 79 3.758 -8.999 1.602 556 3HD1 ILE 79 HD13 ILE 79 5.047 -9.064 2.804 557 H LEU 80 HN LEU 80 6.580 -5.471 -0.308 558 HA LEU 80 HA LEU 80 5.278 -4.493 -2.585 559 1HB LEU 80 HB2 LEU 80 6.564 -3.377 -0.233 560 2HB LEU 80 HB1 LEU 80 6.841 -2.380 -1.647 561 HG LEU 80 HG LEU 80 4.065 -3.126 -1.519 562 1HD1 LEU 80 HD11 LEU 80 5.320 -2.116 0.997 563 2HD1 LEU 80 HD12 LEU 80 4.055 -3.326 0.778 564 3HD1 LEU 80 HD13 LEU 80 3.686 -1.615 0.559 565 1HD2 LEU 80 HD21 LEU 80 3.905 -0.568 -1.347 566 2HD2 LEU 80 HD22 LEU 80 4.649 -1.257 -2.790 567 3HD2 LEU 80 HD23 LEU 80 5.661 -0.585 -1.511 568 H SER 81 HN SER 81 8.728 -4.822 -1.858 569 HA SER 81 HA SER 81 9.673 -3.425 -4.129 570 1HB SER 81 HB2 SER 81 10.870 -4.480 -1.910 571 2HB SER 81 HB1 SER 81 11.380 -5.621 -3.155 572 HG SER 81 HG SER 81 12.219 -3.883 -4.337 573 H GLN 82 HN GLN 82 8.681 -6.757 -3.610 574 HA GLN 82 HA GLN 82 9.758 -7.852 -5.983 575 1HB GLN 82 HB2 GLN 82 7.306 -8.768 -4.469 576 2HB GLN 82 HB1 GLN 82 8.227 -9.716 -5.627 577 1HG GLN 82 HG2 GLN 82 10.208 -9.250 -3.991 578 2HG GLN 82 HG1 GLN 82 8.915 -8.943 -2.836 579 1HE2 GLN 82 HE21 GLN 82 10.946 -11.101 -3.006 580 2HE2 GLN 82 HE22 GLN 82 10.043 -12.574 -2.974 581 H GLN 83 HN GLN 83 6.892 -5.961 -5.354 582 HA GLN 83 HA GLN 83 5.417 -6.658 -7.664 583 1HB GLN 83 HB2 GLN 83 5.327 -3.980 -6.270 584 2HB GLN 83 HB1 GLN 83 4.057 -4.743 -7.214 585 1HG GLN 83 HG2 GLN 83 5.070 -5.591 -4.511 586 2HG GLN 83 HG1 GLN 83 3.504 -4.881 -4.891 587 1HE2 GLN 83 HE21 GLN 83 4.744 -7.612 -3.910 588 2HE2 GLN 83 HE22 GLN 83 3.752 -8.762 -4.733 589 H ARG 84 HN ARG 84 6.623 -6.630 -9.520 590 HA ARG 84 HA ARG 84 8.034 -4.175 -10.265 591 1HB ARG 84 HB2 ARG 84 8.769 -6.787 -10.494 592 2HB ARG 84 HB1 ARG 84 8.100 -6.490 -12.092 593 1HG ARG 84 HG2 ARG 84 9.620 -4.433 -12.145 594 2HG ARG 84 HG1 ARG 84 10.435 -5.164 -10.760 595 1HD ARG 84 HD2 ARG 84 10.065 -6.414 -13.482 596 2HD ARG 84 HD1 ARG 84 11.562 -5.745 -12.837 597 HE ARG 84 HE ARG 84 10.695 -7.696 -11.055 598 1HH1 ARG 84 HH11 ARG 84 11.811 -7.506 -14.368 599 2HH1 ARG 84 HH12 ARG 84 12.459 -9.111 -14.371 600 1HH2 ARG 84 HH21 ARG 84 11.550 -9.817 -11.068 601 2HH2 ARG 84 HH22 ARG 84 12.311 -10.421 -12.502 602 H GLY 85 HN GLY 85 7.567 -3.010 -12.120 603 1HA GLY 85 HA2 GLY 85 6.296 -2.154 -13.827 604 2HA GLY 85 HA1 GLY 85 5.753 -3.797 -14.126 605 H GLU 86 HN GLU 86 3.678 -4.266 -13.752 606 HA GLU 86 HA GLU 86 1.935 -2.195 -12.762 607 1HB GLU 86 HB2 GLU 86 1.393 -3.761 -14.687 608 2HB GLU 86 HB1 GLU 86 1.162 -5.022 -13.485 609 1HG GLU 86 HG2 GLU 86 -0.804 -4.179 -12.766 610 2HG GLU 86 HG1 GLU 86 -0.316 -2.507 -13.037 611 H ILE 87 HN ILE 87 0.919 -2.096 -10.828 612 HA ILE 87 HA ILE 87 1.184 -4.368 -8.989 613 HB ILE 87 HB ILE 87 1.667 -1.550 -8.044 614 1HG1 ILE 87 HG12 ILE 87 3.770 -3.590 -8.816 615 2HG1 ILE 87 HG11 ILE 87 3.395 -2.128 -9.722 616 1HG2 ILE 87 HG21 ILE 87 1.744 -4.262 -6.859 617 2HG2 ILE 87 HG22 ILE 87 1.263 -2.723 -6.146 618 3HG2 ILE 87 HG23 ILE 87 2.972 -3.118 -6.321 619 1HD1 ILE 87 HD11 ILE 87 5.373 -1.786 -8.411 620 2HD1 ILE 87 HD12 ILE 87 4.530 -2.277 -6.942 621 3HD1 ILE 87 HD13 ILE 87 4.069 -0.789 -7.768 622 H GLU 88 HN GLU 88 -0.718 -4.892 -8.159 623 HA GLU 88 HA GLU 88 -2.912 -2.956 -8.244 624 1HB GLU 88 HB2 GLU 88 -3.309 -5.163 -9.240 625 2HB GLU 88 HB1 GLU 88 -2.921 -5.936 -7.710 626 1HG GLU 88 HG2 GLU 88 -4.858 -4.570 -6.743 627 2HG GLU 88 HG1 GLU 88 -5.318 -4.285 -8.420 628 H PHE 89 HN PHE 89 -3.494 -1.876 -6.452 629 HA PHE 89 HA PHE 89 -2.665 -2.987 -3.851 630 1HB PHE 89 HB2 PHE 89 -2.424 -0.353 -5.013 631 2HB PHE 89 HB1 PHE 89 -3.328 -0.279 -3.505 632 HD1 PHE 89 HD1 PHE 89 -0.094 -0.798 -5.039 633 HD2 PHE 89 HD2 PHE 89 -2.297 -1.072 -1.408 634 HE1 PHE 89 HE1 PHE 89 2.013 -0.910 -3.775 635 HE2 PHE 89 HE2 PHE 89 -0.195 -1.183 -0.137 636 HZ PHE 89 HZ PHE 89 1.964 -1.103 -1.319 637 H GLU 90 HN GLU 90 -4.163 -3.525 -2.417 638 HA GLU 90 HA GLU 90 -6.932 -2.612 -2.859 639 1HB GLU 90 HB2 GLU 90 -6.267 -5.126 -3.153 640 2HB GLU 90 HB1 GLU 90 -6.261 -5.148 -1.396 641 1HG GLU 90 HG2 GLU 90 -8.567 -4.575 -1.301 642 2HG GLU 90 HG1 GLU 90 -8.613 -4.232 -3.029 643 H VAL 91 HN VAL 91 -7.540 -1.196 -1.367 644 HA VAL 91 HA VAL 91 -6.791 -1.652 1.437 645 HB VAL 91 HB VAL 91 -6.471 0.814 1.732 646 1HG1 VAL 91 HG11 VAL 91 -4.249 0.678 0.153 647 2HG1 VAL 91 HG12 VAL 91 -4.656 -1.025 0.356 648 3HG1 VAL 91 HG13 VAL 91 -4.387 -0.008 1.770 649 1HG2 VAL 91 HG21 VAL 91 -5.939 1.120 -1.168 650 2HG2 VAL 91 HG22 VAL 91 -6.485 2.305 0.017 651 3HG2 VAL 91 HG23 VAL 91 -7.623 1.133 -0.645 652 H VAL 92 HN VAL 92 -8.083 -0.111 2.910 653 HA VAL 92 HA VAL 92 -10.762 0.429 1.835 654 HB VAL 92 HB VAL 92 -10.892 -1.761 2.922 655 1HG1 VAL 92 HG11 VAL 92 -8.974 -1.058 4.576 656 2HG1 VAL 92 HG12 VAL 92 -10.183 -2.254 5.042 657 3HG1 VAL 92 HG13 VAL 92 -10.331 -0.587 5.599 658 1HG2 VAL 92 HG21 VAL 92 -12.274 -0.116 4.941 659 2HG2 VAL 92 HG22 VAL 92 -12.905 -1.353 3.853 660 3HG2 VAL 92 HG23 VAL 92 -12.621 0.282 3.258 661 H TYR 93 HN TYR 93 -11.725 2.262 2.616 662 HA TYR 93 HA TYR 93 -10.120 4.168 3.979 663 1HB TYR 93 HB2 TYR 93 -12.274 4.366 2.353 664 2HB TYR 93 HB1 TYR 93 -13.054 4.601 3.911 665 HD1 TYR 93 HD1 TYR 93 -12.532 6.537 1.447 666 HD2 TYR 93 HD2 TYR 93 -10.748 6.060 5.284 667 HE1 TYR 93 HE1 TYR 93 -11.859 8.899 1.424 668 HE2 TYR 93 HE2 TYR 93 -10.067 8.420 5.266 669 HH TYR 93 HH TYR 93 -11.295 10.680 3.541 670 H VAL 94 HN VAL 94 -9.740 4.318 6.088 671 HA VAL 94 HA VAL 94 -11.678 3.134 7.966 672 HB VAL 94 HB VAL 94 -8.760 3.694 8.506 673 1HG1 VAL 94 HG11 VAL 94 -9.051 2.796 10.556 674 2HG1 VAL 94 HG12 VAL 94 -10.255 1.635 9.999 675 3HG1 VAL 94 HG13 VAL 94 -10.720 3.308 10.307 676 1HG2 VAL 94 HG21 VAL 94 -10.078 1.136 7.599 677 2HG2 VAL 94 HG22 VAL 94 -8.441 1.240 8.247 678 3HG2 VAL 94 HG23 VAL 94 -8.847 2.064 6.741 679 H ALA 95 HN ALA 95 -12.751 4.464 9.274 680 HA ALA 95 HA ALA 95 -11.573 7.074 9.943 681 1HB ALA 95 HB1 ALA 95 -14.293 6.514 8.820 682 2HB ALA 95 HB2 ALA 95 -13.109 7.723 8.324 683 3HB ALA 95 HB3 ALA 95 -14.006 7.933 9.827 Start of MODEL 9 1 HT1 PRO 9 HT2 PRO 9 -17.593 -2.259 2.695 2 HT2 PRO 9 HT1 PRO 9 -15.992 -2.469 3.008 3 HA PRO 9 HA PRO 9 -17.071 -1.371 0.926 4 1HB PRO 9 HB2 PRO 9 -15.695 0.994 1.873 5 2HB PRO 9 HB1 PRO 9 -17.325 0.846 1.205 6 1HG PRO 9 HG2 PRO 9 -16.822 1.403 3.828 7 2HG PRO 9 HG1 PRO 9 -18.283 0.577 3.262 8 1HD PRO 9 HD2 PRO 9 -15.792 -0.589 4.469 9 2HD PRO 9 HD1 PRO 9 -17.489 -0.999 4.786 10 H ILE 10 HN ILE 10 -15.579 -2.484 -0.211 11 HA ILE 10 HA ILE 10 -12.737 -2.012 0.391 12 HB ILE 10 HB ILE 10 -13.426 -4.366 0.555 13 1HG1 ILE 10 HG12 ILE 10 -11.773 -4.416 -1.898 14 2HG1 ILE 10 HG11 ILE 10 -11.181 -3.383 -0.602 15 1HG2 ILE 10 HG21 ILE 10 -13.971 -4.263 -2.403 16 2HG2 ILE 10 HG22 ILE 10 -15.230 -4.208 -1.170 17 3HG2 ILE 10 HG23 ILE 10 -14.196 -5.629 -1.310 18 1HD1 ILE 10 HD11 ILE 10 -11.837 -5.723 0.693 19 2HD1 ILE 10 HD12 ILE 10 -10.220 -5.205 0.214 20 3HD1 ILE 10 HD13 ILE 10 -11.156 -6.266 -0.840 21 H ARG 11 HN ARG 11 -11.581 -0.849 -0.989 22 HA ARG 11 HA ARG 11 -12.642 -0.444 -3.708 23 1HB ARG 11 HB2 ARG 11 -11.354 1.392 -1.751 24 2HB ARG 11 HB1 ARG 11 -11.005 1.652 -3.455 25 1HG ARG 11 HG2 ARG 11 -13.042 2.473 -3.875 26 2HG ARG 11 HG1 ARG 11 -13.846 1.275 -2.858 27 1HD ARG 11 HD2 ARG 11 -12.571 2.780 -0.993 28 2HD ARG 11 HD1 ARG 11 -12.923 3.992 -2.223 29 HE ARG 11 HE ARG 11 -14.804 2.658 -0.508 30 1HH1 ARG 11 HH11 ARG 11 -14.407 4.340 -3.556 31 2HH1 ARG 11 HH12 ARG 11 -16.066 4.828 -3.645 32 1HH2 ARG 11 HH21 ARG 11 -16.991 3.303 -0.630 33 2HH2 ARG 11 HH22 ARG 11 -17.535 4.239 -1.982 34 H LYS 12 HN LYS 12 -11.457 -1.124 -5.367 35 HA LYS 12 HA LYS 12 -8.691 -1.979 -4.854 36 1HB LYS 12 HB2 LYS 12 -10.740 -2.842 -6.892 37 2HB LYS 12 HB1 LYS 12 -9.040 -3.266 -7.037 38 1HG LYS 12 HG2 LYS 12 -9.879 -5.123 -5.994 39 2HG LYS 12 HG1 LYS 12 -9.348 -4.169 -4.609 40 1HD LYS 12 HD2 LYS 12 -11.571 -3.443 -4.154 41 2HD LYS 12 HD1 LYS 12 -12.163 -4.098 -5.682 42 1HE LYS 12 HE2 LYS 12 -10.927 -5.840 -3.567 43 2HE LYS 12 HE1 LYS 12 -12.643 -5.436 -3.558 44 1HZ LYS 12 HZ1 LYS 12 -11.667 -7.565 -4.790 45 2HZ LYS 12 HZ2 LYS 12 -11.565 -6.458 -6.066 46 3HZ LYS 12 HZ3 LYS 12 -13.056 -6.759 -5.323 47 H VAL 13 HN VAL 13 -7.184 -0.582 -5.493 48 HA VAL 13 HA VAL 13 -7.632 0.922 -7.992 49 HB VAL 13 HB VAL 13 -5.987 1.899 -5.651 50 1HG1 VAL 13 HG11 VAL 13 -5.170 3.139 -7.364 51 2HG1 VAL 13 HG12 VAL 13 -6.608 4.102 -7.031 52 3HG1 VAL 13 HG13 VAL 13 -6.617 2.935 -8.352 53 1HG2 VAL 13 HG21 VAL 13 -8.048 2.099 -4.699 54 2HG2 VAL 13 HG22 VAL 13 -8.882 2.184 -6.251 55 3HG2 VAL 13 HG23 VAL 13 -8.028 3.597 -5.632 56 H LEU 14 HN LEU 14 -6.049 0.875 -9.499 57 HA LEU 14 HA LEU 14 -3.746 -0.852 -8.962 58 1HB LEU 14 HB2 LEU 14 -5.501 -0.620 -11.125 59 2HB LEU 14 HB1 LEU 14 -4.001 0.087 -11.695 60 HG LEU 14 HG LEU 14 -2.977 -2.145 -10.681 61 1HD1 LEU 14 HD11 LEU 14 -5.632 -3.165 -11.622 62 2HD1 LEU 14 HD12 LEU 14 -5.349 -2.784 -9.924 63 3HD1 LEU 14 HD13 LEU 14 -4.368 -4.009 -10.728 64 1HD2 LEU 14 HD21 LEU 14 -3.211 -3.153 -12.936 65 2HD2 LEU 14 HD22 LEU 14 -2.699 -1.466 -12.971 66 3HD2 LEU 14 HD23 LEU 14 -4.370 -1.888 -13.343 67 H LEU 15 HN LEU 15 -1.714 -0.106 -8.865 68 HA LEU 15 HA LEU 15 -1.246 2.712 -9.592 69 1HB LEU 15 HB2 LEU 15 -1.076 1.781 -7.107 70 2HB LEU 15 HB1 LEU 15 0.528 1.320 -7.647 71 HG LEU 15 HG LEU 15 0.341 3.952 -8.464 72 1HD1 LEU 15 HD11 LEU 15 -1.701 4.336 -7.260 73 2HD1 LEU 15 HD12 LEU 15 -0.383 5.165 -6.433 74 3HD1 LEU 15 HD13 LEU 15 -1.012 3.648 -5.790 75 1HD2 LEU 15 HD21 LEU 15 1.448 3.002 -5.828 76 2HD2 LEU 15 HD22 LEU 15 1.982 4.384 -6.784 77 3HD2 LEU 15 HD23 LEU 15 2.242 2.745 -7.382 78 H LEU 16 HN LEU 16 0.501 3.229 -10.822 79 HA LEU 16 HA LEU 16 2.045 0.972 -11.911 80 1HB LEU 16 HB2 LEU 16 1.443 3.675 -13.121 81 2HB LEU 16 HB1 LEU 16 2.445 2.443 -13.865 82 HG LEU 16 HG LEU 16 0.214 0.998 -13.512 83 1HD1 LEU 16 HD11 LEU 16 -1.738 2.386 -14.062 84 2HD1 LEU 16 HD12 LEU 16 -0.749 3.833 -13.869 85 3HD1 LEU 16 HD13 LEU 16 -1.057 2.783 -12.485 86 1HD2 LEU 16 HD21 LEU 16 0.966 0.953 -15.650 87 2HD2 LEU 16 HD22 LEU 16 1.226 2.696 -15.717 88 3HD2 LEU 16 HD23 LEU 16 -0.402 2.041 -15.886 89 H LYS 17 HN LYS 17 4.033 0.815 -11.110 90 HA LYS 17 HA LYS 17 5.516 3.295 -10.519 91 1HB LYS 17 HB2 LYS 17 4.875 2.034 -8.475 92 2HB LYS 17 HB1 LYS 17 5.772 0.648 -9.077 93 1HG LYS 17 HG2 LYS 17 7.653 2.626 -9.193 94 2HG LYS 17 HG1 LYS 17 6.722 3.080 -7.765 95 1HD LYS 17 HD2 LYS 17 7.483 0.226 -8.048 96 2HD LYS 17 HD1 LYS 17 8.768 1.373 -7.665 97 1HE LYS 17 HE2 LYS 17 8.018 0.694 -5.571 98 2HE LYS 17 HE1 LYS 17 7.170 2.218 -5.829 99 1HZ LYS 17 HZ1 LYS 17 5.851 0.213 -4.974 100 2HZ LYS 17 HZ2 LYS 17 5.911 -0.348 -6.568 101 3HZ LYS 17 HZ3 LYS 17 5.175 1.135 -6.220 102 H GLU 18 HN GLU 18 7.576 3.467 -11.254 103 HA GLU 18 HA GLU 18 8.557 1.279 -12.965 104 1HB GLU 18 HB2 GLU 18 8.600 4.235 -13.194 105 2HB GLU 18 HB1 GLU 18 10.043 3.393 -13.741 106 1HG GLU 18 HG2 GLU 18 8.231 1.909 -14.993 107 2HG GLU 18 HG1 GLU 18 7.306 3.406 -14.866 108 H ASP 19 HN ASP 19 11.001 1.248 -13.184 109 HA ASP 19 HA ASP 19 12.182 0.703 -10.705 110 1HB ASP 19 HB2 ASP 19 12.854 0.196 -13.299 111 2HB ASP 19 HB1 ASP 19 14.051 1.415 -12.872 112 H HIS 20 HN HIS 20 12.258 3.615 -12.697 113 HA HIS 20 HA HIS 20 14.232 4.946 -11.112 114 1HB HIS 20 HB2 HIS 20 13.700 6.922 -12.446 115 2HB HIS 20 HB1 HIS 20 13.892 5.511 -13.479 116 HD1 HIS 20 HD1 HIS 20 11.312 7.922 -12.223 117 HD2 HIS 20 HD2 HIS 20 11.601 4.742 -14.882 118 HE1 HIS 20 HE1 HIS 20 9.175 7.957 -13.549 119 HE2 HIS 20 HE2 HIS 20 9.342 5.980 -15.103 120 H GLU 21 HN GLU 21 10.736 4.720 -11.019 121 HA GLU 21 HA GLU 21 10.561 6.860 -9.038 122 1HB GLU 21 HB2 GLU 21 8.620 5.421 -10.769 123 2HB GLU 21 HB1 GLU 21 8.025 6.033 -9.232 124 1HG GLU 21 HG2 GLU 21 9.500 7.747 -11.205 125 2HG GLU 21 HG1 GLU 21 7.749 7.548 -11.226 126 H GLY 22 HN GLY 22 9.137 6.467 -7.106 127 1HA GLY 22 HA2 GLY 22 9.646 3.769 -6.000 128 2HA GLY 22 HA1 GLY 22 9.828 5.239 -5.054 129 H LEU 23 HN LEU 23 8.349 4.410 -3.505 130 HA LEU 23 HA LEU 23 5.689 3.659 -4.179 131 1HB LEU 23 HB2 LEU 23 7.258 4.044 -1.724 132 2HB LEU 23 HB1 LEU 23 5.552 4.399 -1.543 133 HG LEU 23 HG LEU 23 6.352 1.819 -2.822 134 1HD1 LEU 23 HD11 LEU 23 6.214 0.883 -0.421 135 2HD1 LEU 23 HD12 LEU 23 6.622 2.525 0.074 136 3HD1 LEU 23 HD13 LEU 23 7.724 1.618 -0.961 137 1HD2 LEU 23 HD21 LEU 23 4.181 2.091 -0.828 138 2HD2 LEU 23 HD22 LEU 23 4.233 1.174 -2.334 139 3HD2 LEU 23 HD23 LEU 23 3.956 2.915 -2.372 140 H GLY 24 HN GLY 24 6.760 6.488 -2.264 141 1HA GLY 24 HA2 GLY 24 6.148 8.733 -2.653 142 2HA GLY 24 HA1 GLY 24 4.895 8.182 -3.749 143 H ILE 25 HN ILE 25 4.715 6.332 -0.960 144 HA ILE 25 HA ILE 25 2.965 8.229 0.434 145 HB ILE 25 HB ILE 25 1.323 6.333 0.809 146 1HG1 ILE 25 HG12 ILE 25 2.650 5.158 -1.641 147 2HG1 ILE 25 HG11 ILE 25 2.921 4.558 -0.009 148 1HG2 ILE 25 HG21 ILE 25 0.358 7.854 -0.555 149 2HG2 ILE 25 HG22 ILE 25 0.544 6.570 -1.748 150 3HG2 ILE 25 HG23 ILE 25 1.720 7.880 -1.673 151 1HD1 ILE 25 HD11 ILE 25 0.911 3.817 -1.810 152 2HD1 ILE 25 HD12 ILE 25 0.112 4.715 -0.519 153 3HD1 ILE 25 HD13 ILE 25 1.104 3.309 -0.132 154 H SER 26 HN SER 26 2.794 7.914 2.658 155 HA SER 26 HA SER 26 4.803 6.099 3.788 156 1HB SER 26 HB2 SER 26 4.509 8.712 4.274 157 2HB SER 26 HB1 SER 26 3.408 8.091 5.505 158 HG SER 26 HG SER 26 6.168 7.889 5.315 159 H ILE 27 HN ILE 27 4.325 4.547 5.277 160 HA ILE 27 HA ILE 27 1.463 4.066 5.804 161 HB ILE 27 HB ILE 27 2.168 1.635 6.064 162 1HG1 ILE 27 HG12 ILE 27 4.588 2.608 4.524 163 2HG1 ILE 27 HG11 ILE 27 4.612 2.086 6.205 164 1HG2 ILE 27 HG21 ILE 27 0.878 2.112 4.194 165 2HG2 ILE 27 HG22 ILE 27 2.315 1.360 3.503 166 3HG2 ILE 27 HG23 ILE 27 2.130 3.113 3.460 167 1HD1 ILE 27 HD11 ILE 27 5.170 0.504 4.088 168 2HD1 ILE 27 HD12 ILE 27 3.461 0.149 4.331 169 3HD1 ILE 27 HD13 ILE 27 4.606 -0.084 5.651 170 H THR 28 HN THR 28 0.900 3.048 7.818 171 HA THR 28 HA THR 28 2.919 3.289 9.942 172 HB THR 28 HB THR 28 1.459 4.492 11.377 173 HG1 THR 28 HG1 THR 28 -0.633 4.419 11.202 174 1HG2 THR 28 HG21 THR 28 2.443 5.802 9.415 175 2HG2 THR 28 HG22 THR 28 1.121 6.535 10.325 176 3HG2 THR 28 HG23 THR 28 0.806 5.783 8.761 177 H GLY 29 HN GLY 29 2.522 2.007 11.832 178 1HA GLY 29 HA2 GLY 29 1.306 0.374 13.064 179 2HA GLY 29 HA1 GLY 29 0.403 -0.017 11.609 180 H GLY 30 HN GLY 30 0.824 -2.261 11.934 181 1HA GLY 30 HA2 GLY 30 2.631 -3.515 10.436 182 2HA GLY 30 HA1 GLY 30 3.608 -3.137 11.844 183 H LYS 31 HN LYS 31 2.470 -5.677 10.557 184 HA LYS 31 HA LYS 31 0.615 -6.876 12.271 185 1HB LYS 31 HB2 LYS 31 1.820 -7.632 9.975 186 2HB LYS 31 HB1 LYS 31 2.706 -8.630 11.118 187 1HG LYS 31 HG2 LYS 31 -0.295 -8.557 11.048 188 2HG LYS 31 HG1 LYS 31 0.654 -9.649 10.039 189 1HD LYS 31 HD2 LYS 31 1.714 -10.558 12.081 190 2HD LYS 31 HD1 LYS 31 0.673 -9.518 13.054 191 1HE LYS 31 HE2 LYS 31 -1.277 -10.643 11.841 192 2HE LYS 31 HE1 LYS 31 -0.097 -11.841 11.312 193 1HZ LYS 31 HZ1 LYS 31 -0.795 -12.819 13.219 194 2HZ LYS 31 HZ2 LYS 31 -1.194 -11.361 13.977 195 3HZ LYS 31 HZ3 LYS 31 0.422 -11.853 13.890 196 H GLU 32 HN GLU 32 4.146 -6.655 12.510 197 HA GLU 32 HA GLU 32 4.494 -8.479 14.625 198 1HB GLU 32 HB2 GLU 32 6.090 -6.361 13.353 199 2HB GLU 32 HB1 GLU 32 6.484 -6.645 15.044 200 1HG GLU 32 HG2 GLU 32 6.225 -9.034 13.328 201 2HG GLU 32 HG1 GLU 32 7.606 -7.982 13.024 202 H HIS 33 HN HIS 33 3.465 -5.129 14.580 203 HA HIS 33 HA HIS 33 3.713 -4.792 17.437 204 1HB HIS 33 HB2 HIS 33 2.465 -3.089 15.277 205 2HB HIS 33 HB1 HIS 33 2.444 -2.649 16.980 206 HD1 HIS 33 HD1 HIS 33 5.540 -3.839 17.220 207 HD2 HIS 33 HD2 HIS 33 4.068 -0.794 14.804 208 HE1 HIS 33 HE1 HIS 33 7.523 -2.391 16.680 209 HE2 HIS 33 HE2 HIS 33 6.584 -0.492 15.319 210 H GLY 34 HN GLY 34 1.245 -5.801 15.178 211 1HA GLY 34 HA2 GLY 34 -0.564 -7.178 15.992 212 2HA GLY 34 HA1 GLY 34 -0.579 -6.215 17.458 213 H VAL 35 HN VAL 35 -0.321 -4.664 14.338 214 HA VAL 35 HA VAL 35 -3.179 -4.123 14.221 215 HB VAL 35 HB VAL 35 -2.727 -1.643 13.946 216 1HG1 VAL 35 HG11 VAL 35 -2.028 -2.309 16.742 217 2HG1 VAL 35 HG12 VAL 35 -3.499 -3.031 16.092 218 3HG1 VAL 35 HG13 VAL 35 -3.309 -1.278 16.105 219 1HG2 VAL 35 HG21 VAL 35 -0.687 -0.874 15.280 220 2HG2 VAL 35 HG22 VAL 35 -0.406 -1.499 13.654 221 3HG2 VAL 35 HG23 VAL 35 -0.077 -2.515 15.057 222 HA PRO 36 HA PRO 36 -2.366 -4.475 9.874 223 1HB PRO 36 HB2 PRO 36 -4.663 -2.639 9.504 224 2HB PRO 36 HB1 PRO 36 -4.427 -4.283 8.900 225 1HG PRO 36 HG2 PRO 36 -6.139 -3.779 10.888 226 2HG PRO 36 HG1 PRO 36 -5.155 -5.255 10.872 227 1HD PRO 36 HD2 PRO 36 -4.771 -2.736 12.446 228 2HD PRO 36 HD1 PRO 36 -4.555 -4.425 12.952 229 H ILE 37 HN ILE 37 -1.632 -3.244 8.078 230 HA ILE 37 HA ILE 37 -0.428 -0.720 8.836 231 HB ILE 37 HB ILE 37 -0.241 -2.039 6.129 232 1HG1 ILE 37 HG12 ILE 37 1.608 -2.484 8.485 233 2HG1 ILE 37 HG11 ILE 37 0.392 -3.637 7.950 234 1HG2 ILE 37 HG21 ILE 37 1.452 -0.605 5.668 235 2HG2 ILE 37 HG22 ILE 37 1.989 -0.519 7.344 236 3HG2 ILE 37 HG23 ILE 37 0.580 0.402 6.823 237 1HD1 ILE 37 HD11 ILE 37 2.994 -2.927 6.744 238 2HD1 ILE 37 HD12 ILE 37 1.674 -3.335 5.649 239 3HD1 ILE 37 HD13 ILE 37 2.190 -4.491 6.878 240 H LEU 38 HN LEU 38 -0.975 1.278 8.101 241 HA LEU 38 HA LEU 38 -3.004 1.503 5.999 242 1HB LEU 38 HB2 LEU 38 -4.173 3.259 7.358 243 2HB LEU 38 HB1 LEU 38 -4.350 1.616 7.942 244 HG LEU 38 HG LEU 38 -2.121 3.082 9.172 245 1HD1 LEU 38 HD11 LEU 38 -3.597 4.961 8.979 246 2HD1 LEU 38 HD12 LEU 38 -3.632 4.391 10.648 247 3HD1 LEU 38 HD13 LEU 38 -4.963 4.006 9.557 248 1HD2 LEU 38 HD21 LEU 38 -3.448 2.195 11.219 249 2HD2 LEU 38 HD22 LEU 38 -2.609 1.052 10.171 250 3HD2 LEU 38 HD23 LEU 38 -4.352 1.275 10.016 251 H ILE 39 HN ILE 39 -3.110 3.583 4.975 252 HA ILE 39 HA ILE 39 -0.521 4.882 4.842 253 HB ILE 39 HB ILE 39 -2.996 5.689 3.317 254 1HG1 ILE 39 HG12 ILE 39 -2.577 3.261 3.007 255 2HG1 ILE 39 HG11 ILE 39 -2.331 4.184 1.529 256 1HG2 ILE 39 HG21 ILE 39 -0.046 6.035 2.808 257 2HG2 ILE 39 HG22 ILE 39 -1.224 7.294 3.179 258 3HG2 ILE 39 HG23 ILE 39 -1.310 6.430 1.643 259 1HD1 ILE 39 HD11 ILE 39 -0.606 2.341 2.572 260 2HD1 ILE 39 HD12 ILE 39 0.098 3.870 3.101 261 3HD1 ILE 39 HD13 ILE 39 -0.196 3.580 1.386 262 H SER 40 HN SER 40 0.001 6.551 6.097 263 HA SER 40 HA SER 40 -2.155 8.245 7.170 264 1HB SER 40 HB2 SER 40 -0.753 7.044 8.836 265 2HB SER 40 HB1 SER 40 0.658 7.911 8.232 266 HG SER 40 HG SER 40 -0.114 9.773 9.053 267 H GLU 41 HN GLU 41 0.822 8.297 5.301 268 HA GLU 41 HA GLU 41 0.449 11.200 4.945 269 1HB GLU 41 HB2 GLU 41 2.674 9.960 6.060 270 2HB GLU 41 HB1 GLU 41 3.156 10.280 4.402 271 1HG GLU 41 HG2 GLU 41 3.733 12.294 5.144 272 2HG GLU 41 HG1 GLU 41 2.006 12.649 5.126 273 H ILE 42 HN ILE 42 0.677 12.031 2.886 274 HA ILE 42 HA ILE 42 1.106 10.101 0.700 275 HB ILE 42 HB ILE 42 -0.931 12.333 0.611 276 1HG1 ILE 42 HG12 ILE 42 -1.575 10.551 2.236 277 2HG1 ILE 42 HG11 ILE 42 -2.670 10.676 0.866 278 1HG2 ILE 42 HG21 ILE 42 -1.303 11.805 -1.535 279 2HG2 ILE 42 HG22 ILE 42 -1.133 10.075 -1.250 280 3HG2 ILE 42 HG23 ILE 42 0.301 11.078 -1.457 281 1HD1 ILE 42 HD11 ILE 42 -2.180 8.357 1.511 282 2HD1 ILE 42 HD12 ILE 42 -0.480 8.631 1.134 283 3HD1 ILE 42 HD13 ILE 42 -1.692 8.720 -0.144 284 H HIS 43 HN HIS 43 2.932 10.710 -0.303 285 HA HIS 43 HA HIS 43 3.752 13.493 -0.288 286 1HB HIS 43 HB2 HIS 43 5.078 10.949 -1.206 287 2HB HIS 43 HB1 HIS 43 5.766 12.530 -1.555 288 HD1 HIS 43 HD1 HIS 43 5.655 14.025 0.978 289 HD2 HIS 43 HD2 HIS 43 6.413 9.939 0.908 290 HE1 HIS 43 HE1 HIS 43 6.837 13.524 3.139 291 HE2 HIS 43 HE2 HIS 43 7.385 11.068 3.023 292 HA PRO 44 HA PRO 44 2.014 14.262 -4.314 293 1HB PRO 44 HB2 PRO 44 2.996 16.744 -4.680 294 2HB PRO 44 HB1 PRO 44 1.698 16.408 -3.528 295 1HG PRO 44 HG2 PRO 44 4.626 16.787 -3.028 296 2HG PRO 44 HG1 PRO 44 3.244 17.419 -2.115 297 1HD PRO 44 HD2 PRO 44 4.675 15.226 -1.350 298 2HD PRO 44 HD1 PRO 44 2.963 15.463 -0.949 299 H GLY 45 HN GLY 45 2.808 15.062 -6.495 300 1HA GLY 45 HA2 GLY 45 4.225 14.867 -8.294 301 2HA GLY 45 HA1 GLY 45 5.549 15.103 -7.165 302 H GLN 46 HN GLN 46 3.262 12.474 -6.868 303 HA GLN 46 HA GLN 46 5.224 10.570 -7.931 304 1HB GLN 46 HB2 GLN 46 4.365 10.871 -5.150 305 2HB GLN 46 HB1 GLN 46 4.126 9.241 -5.766 306 1HG GLN 46 HG2 GLN 46 6.244 8.934 -5.129 307 2HG GLN 46 HG1 GLN 46 6.632 9.749 -6.643 308 1HE2 GLN 46 HE21 GLN 46 5.710 10.633 -3.321 309 2HE2 GLN 46 HE22 GLN 46 6.893 11.880 -3.151 310 HA PRO 47 HA PRO 47 1.945 8.289 -9.823 311 1HB PRO 47 HB2 PRO 47 2.012 5.826 -8.498 312 2HB PRO 47 HB1 PRO 47 2.947 6.260 -9.930 313 1HG PRO 47 HG2 PRO 47 3.762 6.240 -7.065 314 2HG PRO 47 HG1 PRO 47 4.708 5.836 -8.508 315 1HD PRO 47 HD2 PRO 47 5.051 8.158 -7.223 316 2HD PRO 47 HD1 PRO 47 5.149 8.061 -8.995 317 H ALA 48 HN ALA 48 2.008 8.291 -6.305 318 HA ALA 48 HA ALA 48 -0.555 7.295 -5.785 319 1HB ALA 48 HB1 ALA 48 1.393 8.976 -4.303 320 2HB ALA 48 HB2 ALA 48 0.642 7.445 -3.852 321 3HB ALA 48 HB3 ALA 48 -0.273 8.946 -3.722 322 H ASP 49 HN ASP 49 0.544 10.637 -6.326 323 HA ASP 49 HA ASP 49 -2.022 11.817 -6.015 324 1HB ASP 49 HB2 ASP 49 0.095 13.090 -5.811 325 2HB ASP 49 HB1 ASP 49 0.370 12.878 -7.538 326 H ARG 50 HN ARG 50 -0.195 10.650 -8.807 327 HA ARG 50 HA ARG 50 -1.869 11.577 -10.844 328 1HB ARG 50 HB2 ARG 50 -0.169 9.080 -10.740 329 2HB ARG 50 HB1 ARG 50 -0.908 9.722 -12.201 330 1HG ARG 50 HG2 ARG 50 0.385 11.898 -11.556 331 2HG ARG 50 HG1 ARG 50 1.372 10.788 -10.603 332 1HD ARG 50 HD2 ARG 50 0.785 10.081 -13.434 333 2HD ARG 50 HD1 ARG 50 1.950 11.366 -13.120 334 HE ARG 50 HE ARG 50 2.620 9.183 -11.512 335 1HH1 ARG 50 HH11 ARG 50 2.516 10.019 -14.908 336 2HH1 ARG 50 HH12 ARG 50 3.796 8.937 -15.341 337 1HH2 ARG 50 HH21 ARG 50 4.305 7.751 -12.090 338 2HH2 ARG 50 HH22 ARG 50 4.811 7.650 -13.743 339 H CYS 51 HN CYS 51 -2.161 8.761 -8.745 340 HA CYS 51 HA CYS 51 -4.320 7.607 -10.270 341 1HB CYS 51 HB2 CYS 51 -2.797 6.896 -7.835 342 2HB CYS 51 HB1 CYS 51 -4.460 6.323 -7.890 343 HG CYS 51 HG CYS 51 -2.311 4.886 -9.141 344 H GLY 52 HN GLY 52 -4.025 9.812 -7.553 345 1HA GLY 52 HA2 GLY 52 -5.665 11.214 -6.691 346 2HA GLY 52 HA1 GLY 52 -6.844 10.420 -7.719 347 H GLY 53 HN GLY 53 -6.830 7.838 -6.931 348 1HA GLY 53 HA2 GLY 53 -8.420 7.770 -4.670 349 2HA GLY 53 HA1 GLY 53 -7.581 6.378 -5.330 350 H LEU 54 HN LEU 54 -4.929 7.791 -4.793 351 HA LEU 54 HA LEU 54 -4.427 6.627 -2.265 352 1HB LEU 54 HB2 LEU 54 -2.889 8.288 -4.193 353 2HB LEU 54 HB1 LEU 54 -2.305 8.244 -2.542 354 HG LEU 54 HG LEU 54 -1.190 6.595 -4.000 355 1HD1 LEU 54 HD11 LEU 54 -1.161 4.865 -2.441 356 2HD1 LEU 54 HD12 LEU 54 -2.847 5.117 -1.988 357 3HD1 LEU 54 HD13 LEU 54 -1.618 6.285 -1.502 358 1HD2 LEU 54 HD21 LEU 54 -2.475 4.580 -4.680 359 2HD2 LEU 54 HD22 LEU 54 -2.956 6.050 -5.527 360 3HD2 LEU 54 HD23 LEU 54 -3.957 5.420 -4.219 361 H HIS 55 HN HIS 55 -5.866 7.483 -0.774 362 HA HIS 55 HA HIS 55 -5.465 10.313 -0.056 363 1HB HIS 55 HB2 HIS 55 -7.715 10.155 1.032 364 2HB HIS 55 HB1 HIS 55 -7.752 9.941 -0.715 365 HD1 HIS 55 HD1 HIS 55 -7.408 7.562 2.263 366 HD2 HIS 55 HD2 HIS 55 -9.442 7.929 -1.344 367 HE1 HIS 55 HE1 HIS 55 -8.835 5.504 2.081 368 HE2 HIS 55 HE2 HIS 55 -10.015 5.717 -0.132 369 H VAL 56 HN VAL 56 -5.539 10.855 2.222 370 HA VAL 56 HA VAL 56 -3.977 9.055 3.803 371 HB VAL 56 HB VAL 56 -5.367 11.587 4.701 372 1HG1 VAL 56 HG11 VAL 56 -3.208 11.477 6.238 373 2HG1 VAL 56 HG12 VAL 56 -3.402 9.748 5.954 374 3HG1 VAL 56 HG13 VAL 56 -4.714 10.676 6.683 375 1HG2 VAL 56 HG21 VAL 56 -2.479 11.641 4.136 376 2HG2 VAL 56 HG22 VAL 56 -3.722 12.852 3.827 377 3HG2 VAL 56 HG23 VAL 56 -3.524 11.492 2.724 378 H GLY 57 HN GLY 57 -4.587 7.720 5.447 379 1HA GLY 57 HA2 GLY 57 -6.003 6.895 7.144 380 2HA GLY 57 HA1 GLY 57 -7.325 7.832 6.470 381 H ASP 58 HN ASP 58 -5.180 5.558 4.779 382 HA ASP 58 HA ASP 58 -7.563 3.938 4.137 383 1HB ASP 58 HB2 ASP 58 -5.849 5.178 2.386 384 2HB ASP 58 HB1 ASP 58 -5.184 3.552 2.453 385 H ALA 59 HN ALA 59 -7.570 1.779 4.603 386 HA ALA 59 HA ALA 59 -5.194 0.722 5.976 387 1HB ALA 59 HB1 ALA 59 -8.057 -0.218 6.053 388 2HB ALA 59 HB2 ALA 59 -7.213 0.690 7.307 389 3HB ALA 59 HB3 ALA 59 -6.719 -0.961 6.930 390 H ILE 60 HN ILE 60 -3.954 -0.748 5.008 391 HA ILE 60 HA ILE 60 -4.699 -1.854 2.449 392 HB ILE 60 HB ILE 60 -2.247 -2.536 4.071 393 1HG1 ILE 60 HG12 ILE 60 -1.881 -0.617 1.898 394 2HG1 ILE 60 HG11 ILE 60 -2.909 0.006 3.184 395 1HG2 ILE 60 HG21 ILE 60 -2.345 -4.070 2.349 396 2HG2 ILE 60 HG22 ILE 60 -1.361 -2.789 1.642 397 3HG2 ILE 60 HG23 ILE 60 -3.069 -2.921 1.224 398 1HD1 ILE 60 HD11 ILE 60 -1.126 -0.611 4.807 399 2HD1 ILE 60 HD12 ILE 60 -0.662 0.635 3.647 400 3HD1 ILE 60 HD13 ILE 60 -0.097 -1.023 3.435 401 H LEU 61 HN LEU 61 -4.841 -4.071 1.913 402 HA LEU 61 HA LEU 61 -5.145 -5.948 4.147 403 1HB LEU 61 HB2 LEU 61 -7.203 -5.195 2.135 404 2HB LEU 61 HB1 LEU 61 -7.116 -6.875 2.630 405 HG LEU 61 HG LEU 61 -7.548 -4.523 4.476 406 1HD1 LEU 61 HD11 LEU 61 -9.385 -5.502 2.800 407 2HD1 LEU 61 HD12 LEU 61 -9.773 -4.916 4.417 408 3HD1 LEU 61 HD13 LEU 61 -9.574 -6.645 4.130 409 1HD2 LEU 61 HD21 LEU 61 -6.609 -5.983 5.933 410 2HD2 LEU 61 HD22 LEU 61 -6.980 -7.390 4.937 411 3HD2 LEU 61 HD23 LEU 61 -8.239 -6.657 5.930 412 H ALA 62 HN ALA 62 -5.099 -5.677 0.575 413 HA ALA 62 HA ALA 62 -3.217 -7.917 0.490 414 1HB ALA 62 HB1 ALA 62 -4.442 -9.247 -0.968 415 2HB ALA 62 HB2 ALA 62 -5.537 -7.936 -1.406 416 3HB ALA 62 HB3 ALA 62 -5.657 -8.691 0.183 417 H VAL 63 HN VAL 63 -1.838 -7.924 -1.282 418 HA VAL 63 HA VAL 63 -2.131 -5.741 -3.229 419 HB VAL 63 HB VAL 63 0.493 -6.398 -1.882 420 1HG1 VAL 63 HG11 VAL 63 0.815 -3.955 -2.962 421 2HG1 VAL 63 HG12 VAL 63 -0.328 -4.646 -4.111 422 3HG1 VAL 63 HG13 VAL 63 1.210 -5.451 -3.805 423 1HG2 VAL 63 HG21 VAL 63 -0.172 -3.799 -1.211 424 2HG2 VAL 63 HG22 VAL 63 -0.250 -5.204 -0.149 425 3HG2 VAL 63 HG23 VAL 63 -1.687 -4.681 -1.025 426 H ASN 64 HN ASN 64 -2.183 -6.623 -5.177 427 HA ASN 64 HA ASN 64 -1.827 -7.999 -6.948 428 1HB ASN 64 HB2 ASN 64 0.617 -7.147 -6.181 429 2HB ASN 64 HB1 ASN 64 0.840 -8.883 -5.994 430 1HD2 ASN 64 HD21 ASN 64 1.547 -6.565 -8.030 431 2HD2 ASN 64 HD22 ASN 64 1.353 -7.363 -9.549 432 H GLY 65 HN GLY 65 -3.117 -9.129 -4.636 433 1HA GLY 65 HA2 GLY 65 -4.048 -11.274 -4.399 434 2HA GLY 65 HA1 GLY 65 -2.666 -11.948 -5.242 435 H VAL 66 HN VAL 66 -0.922 -10.246 -3.321 436 HA VAL 66 HA VAL 66 -0.592 -12.338 -1.368 437 HB VAL 66 HB VAL 66 0.867 -9.696 -1.491 438 1HG1 VAL 66 HG11 VAL 66 2.098 -12.220 -0.523 439 2HG1 VAL 66 HG12 VAL 66 0.939 -11.409 0.529 440 3HG1 VAL 66 HG13 VAL 66 2.381 -10.556 -0.017 441 1HG2 VAL 66 HG21 VAL 66 2.605 -11.416 -2.596 442 2HG2 VAL 66 HG22 VAL 66 1.479 -10.441 -3.541 443 3HG2 VAL 66 HG23 VAL 66 1.092 -12.120 -3.168 444 H ASN 67 HN ASN 67 -1.138 -12.312 0.757 445 HA ASN 67 HA ASN 67 -3.006 -10.299 1.629 446 1HB ASN 67 HB2 ASN 67 -2.860 -12.937 2.144 447 2HB ASN 67 HB1 ASN 67 -2.011 -12.328 3.562 448 1HD2 ASN 67 HD21 ASN 67 -4.113 -13.563 4.291 449 2HD2 ASN 67 HD22 ASN 67 -5.456 -12.530 4.632 450 H LEU 68 HN LEU 68 -2.727 -8.729 3.114 451 HA LEU 68 HA LEU 68 0.004 -8.059 3.839 452 1HB LEU 68 HB2 LEU 68 -1.583 -6.360 2.944 453 2HB LEU 68 HB1 LEU 68 -2.546 -6.544 4.397 454 HG LEU 68 HG LEU 68 -0.014 -5.980 5.378 455 1HD1 LEU 68 HD11 LEU 68 1.097 -4.527 4.080 456 2HD1 LEU 68 HD12 LEU 68 -0.379 -3.779 3.471 457 3HD1 LEU 68 HD13 LEU 68 0.199 -5.288 2.766 458 1HD2 LEU 68 HD21 LEU 68 -2.593 -4.572 5.082 459 2HD2 LEU 68 HD22 LEU 68 -1.196 -3.573 5.478 460 3HD2 LEU 68 HD23 LEU 68 -1.645 -4.917 6.528 461 H ARG 69 HN ARG 69 -2.964 -9.138 5.391 462 HA ARG 69 HA ARG 69 -2.165 -8.627 8.063 463 1HB ARG 69 HB2 ARG 69 -4.501 -9.406 6.900 464 2HB ARG 69 HB1 ARG 69 -3.974 -10.918 7.627 465 1HG ARG 69 HG2 ARG 69 -3.910 -9.932 9.803 466 2HG ARG 69 HG1 ARG 69 -4.204 -8.324 9.138 467 1HD ARG 69 HD2 ARG 69 -6.427 -8.756 8.720 468 2HD ARG 69 HD1 ARG 69 -6.174 -10.496 8.597 469 HE ARG 69 HE ARG 69 -5.728 -9.436 11.238 470 1HH1 ARG 69 HH11 ARG 69 -8.135 -10.699 9.027 471 2HH1 ARG 69 HH12 ARG 69 -9.211 -11.198 10.288 472 1HH2 ARG 69 HH21 ARG 69 -7.158 -10.093 12.896 473 2HH2 ARG 69 HH22 ARG 69 -8.658 -10.854 12.482 474 H ASP 70 HN ASP 70 -1.470 -11.237 5.841 475 HA ASP 70 HA ASP 70 -0.440 -12.951 7.956 476 1HB ASP 70 HB2 ASP 70 -0.474 -13.346 4.957 477 2HB ASP 70 HB1 ASP 70 0.029 -14.549 6.138 478 H THR 71 HN THR 71 0.800 -10.255 6.771 479 HA THR 71 HA THR 71 3.547 -11.284 6.858 480 HB THR 71 HB THR 71 3.103 -10.905 4.514 481 HG1 THR 71 HG1 THR 71 4.957 -9.974 4.315 482 1HG2 THR 71 HG21 THR 71 2.428 -8.816 3.577 483 2HG2 THR 71 HG22 THR 71 2.373 -8.064 5.171 484 3HG2 THR 71 HG23 THR 71 1.217 -9.327 4.754 485 H LYS 72 HN LYS 72 5.133 -9.756 7.572 486 HA LYS 72 HA LYS 72 4.081 -7.928 9.556 487 1HB LYS 72 HB2 LYS 72 6.788 -9.028 8.892 488 2HB LYS 72 HB1 LYS 72 6.667 -7.592 9.897 489 1HG LYS 72 HG2 LYS 72 6.767 -9.307 11.441 490 2HG LYS 72 HG1 LYS 72 5.036 -8.991 11.322 491 1HD LYS 72 HD2 LYS 72 5.020 -11.268 11.146 492 2HD LYS 72 HD1 LYS 72 5.193 -10.849 9.441 493 1HE LYS 72 HE2 LYS 72 7.367 -11.539 9.349 494 2HE LYS 72 HE1 LYS 72 7.674 -11.156 11.042 495 1HZ LYS 72 HZ1 LYS 72 6.629 -13.600 9.849 496 2HZ LYS 72 HZ2 LYS 72 5.957 -13.146 11.333 497 3HZ LYS 72 HZ3 LYS 72 7.625 -13.396 11.199 498 H HIS 73 HN HIS 73 4.956 -5.710 9.773 499 HA HIS 73 HA HIS 73 4.478 -4.138 7.534 500 1HB HIS 73 HB2 HIS 73 4.532 -3.399 9.960 501 2HB HIS 73 HB1 HIS 73 6.283 -3.327 9.816 502 HD1 HIS 73 HD1 HIS 73 7.274 -1.408 8.365 503 HD2 HIS 73 HD2 HIS 73 3.140 -1.313 8.751 504 HE1 HIS 73 HE1 HIS 73 6.577 0.876 7.577 505 HE2 HIS 73 HE2 HIS 73 4.088 0.957 7.959 506 H LYS 74 HN LYS 74 7.639 -5.034 8.932 507 HA LYS 74 HA LYS 74 9.224 -3.761 6.994 508 1HB LYS 74 HB2 LYS 74 11.039 -5.271 7.763 509 2HB LYS 74 HB1 LYS 74 10.204 -4.464 9.082 510 1HG LYS 74 HG2 LYS 74 8.916 -6.508 9.506 511 2HG LYS 74 HG1 LYS 74 9.779 -7.314 8.195 512 1HD LYS 74 HD2 LYS 74 11.680 -7.546 9.409 513 2HD LYS 74 HD1 LYS 74 11.441 -6.025 10.272 514 1HE LYS 74 HE2 LYS 74 10.134 -6.986 11.889 515 2HE LYS 74 HE1 LYS 74 9.563 -8.266 10.819 516 1HZ LYS 74 HZ1 LYS 74 11.153 -8.937 12.640 517 2HZ LYS 74 HZ2 LYS 74 12.364 -8.141 11.768 518 3HZ LYS 74 HZ3 LYS 74 11.550 -9.453 11.077 519 H GLU 75 HN GLU 75 7.926 -7.057 7.142 520 HA GLU 75 HA GLU 75 9.227 -7.996 4.807 521 1HB GLU 75 HB2 GLU 75 7.484 -9.065 6.772 522 2HB GLU 75 HB1 GLU 75 6.731 -9.347 5.209 523 1HG GLU 75 HG2 GLU 75 9.598 -9.973 5.361 524 2HG GLU 75 HG1 GLU 75 8.537 -10.989 6.336 525 H ALA 76 HN ALA 76 6.098 -6.454 5.381 526 HA ALA 76 HA ALA 76 5.018 -6.840 2.808 527 1HB ALA 76 HB1 ALA 76 4.471 -4.790 4.937 528 2HB ALA 76 HB2 ALA 76 3.522 -6.216 4.518 529 3HB ALA 76 HB3 ALA 76 3.584 -4.843 3.414 530 H VAL 77 HN VAL 77 7.209 -4.397 4.099 531 HA VAL 77 HA VAL 77 7.012 -2.534 1.995 532 HB VAL 77 HB VAL 77 9.501 -3.094 3.626 533 1HG1 VAL 77 HG11 VAL 77 9.492 -0.443 3.218 534 2HG1 VAL 77 HG12 VAL 77 8.649 -0.965 1.760 535 3HG1 VAL 77 HG13 VAL 77 10.260 -1.585 2.115 536 1HG2 VAL 77 HG21 VAL 77 6.918 -1.987 4.414 537 2HG2 VAL 77 HG22 VAL 77 8.268 -0.906 4.757 538 3HG2 VAL 77 HG23 VAL 77 8.262 -2.543 5.409 539 H THR 78 HN THR 78 9.109 -5.355 2.469 540 HA THR 78 HA THR 78 10.633 -5.019 0.114 541 HB THR 78 HB THR 78 10.096 -7.754 1.201 542 HG1 THR 78 HG1 THR 78 10.921 -7.340 3.092 543 1HG2 THR 78 HG21 THR 78 12.155 -8.275 0.491 544 2HG2 THR 78 HG22 THR 78 12.831 -6.716 0.960 545 3HG2 THR 78 HG23 THR 78 11.937 -6.870 -0.552 546 H ILE 79 HN ILE 79 7.737 -6.976 0.823 547 HA ILE 79 HA ILE 79 7.483 -8.165 -1.701 548 HB ILE 79 HB ILE 79 5.211 -7.419 0.157 549 1HG1 ILE 79 HG12 ILE 79 6.419 -10.156 0.029 550 2HG1 ILE 79 HG11 ILE 79 7.228 -8.919 0.984 551 1HG2 ILE 79 HG21 ILE 79 4.402 -9.673 -1.046 552 2HG2 ILE 79 HG22 ILE 79 5.410 -9.007 -2.330 553 3HG2 ILE 79 HG23 ILE 79 4.065 -8.065 -1.689 554 1HD1 ILE 79 HD11 ILE 79 4.316 -9.401 1.376 555 2HD1 ILE 79 HD12 ILE 79 5.520 -8.788 2.509 556 3HD1 ILE 79 HD13 ILE 79 5.496 -10.501 2.091 557 H LEU 80 HN LEU 80 5.993 -5.179 -0.436 558 HA LEU 80 HA LEU 80 4.528 -4.485 -2.699 559 1HB LEU 80 HB2 LEU 80 5.853 -2.732 -0.636 560 2HB LEU 80 HB1 LEU 80 4.772 -2.118 -1.873 561 HG LEU 80 HG LEU 80 4.019 -4.120 0.259 562 1HD1 LEU 80 HD11 LEU 80 2.836 -2.377 1.332 563 2HD1 LEU 80 HD12 LEU 80 3.110 -1.266 -0.009 564 3HD1 LEU 80 HD13 LEU 80 4.457 -1.757 1.017 565 1HD2 LEU 80 HD21 LEU 80 2.700 -4.548 -1.665 566 2HD2 LEU 80 HD22 LEU 80 2.454 -2.828 -1.964 567 3HD2 LEU 80 HD23 LEU 80 1.699 -3.597 -0.569 568 H SER 81 HN SER 81 7.944 -3.994 -1.990 569 HA SER 81 HA SER 81 8.442 -2.308 -4.245 570 1HB SER 81 HB2 SER 81 9.879 -3.095 -1.968 571 2HB SER 81 HB1 SER 81 10.800 -3.714 -3.340 572 HG SER 81 HG SER 81 10.036 -1.044 -2.795 573 H GLN 82 HN GLN 82 8.127 -5.725 -3.839 574 HA GLN 82 HA GLN 82 9.751 -6.488 -6.075 575 1HB GLN 82 HB2 GLN 82 7.572 -8.002 -4.623 576 2HB GLN 82 HB1 GLN 82 8.653 -8.695 -5.825 577 1HG GLN 82 HG2 GLN 82 10.391 -7.554 -4.038 578 2HG GLN 82 HG1 GLN 82 9.093 -8.142 -3.001 579 1HE2 GLN 82 HE21 GLN 82 11.394 -9.294 -2.556 580 2HE2 GLN 82 HE22 GLN 82 11.483 -10.878 -3.238 581 H GLN 83 HN GLN 83 6.452 -5.488 -5.611 582 HA GLN 83 HA GLN 83 5.392 -6.437 -8.067 583 1HB GLN 83 HB2 GLN 83 4.553 -4.424 -6.013 584 2HB GLN 83 HB1 GLN 83 3.688 -4.526 -7.541 585 1HG GLN 83 HG2 GLN 83 2.486 -5.872 -6.072 586 2HG GLN 83 HG1 GLN 83 3.419 -7.001 -7.047 587 1HE2 GLN 83 HE21 GLN 83 5.147 -8.098 -6.102 588 2HE2 GLN 83 HE22 GLN 83 5.318 -8.224 -4.388 589 H ARG 84 HN ARG 84 6.355 -5.862 -9.920 590 HA ARG 84 HA ARG 84 7.119 -3.055 -10.329 591 1HB ARG 84 HB2 ARG 84 8.672 -5.178 -10.677 592 2HB ARG 84 HB1 ARG 84 7.882 -5.206 -12.247 593 1HG ARG 84 HG2 ARG 84 9.191 -3.583 -12.994 594 2HG ARG 84 HG1 ARG 84 8.749 -2.538 -11.644 595 1HD ARG 84 HD2 ARG 84 10.596 -3.083 -10.437 596 2HD ARG 84 HD1 ARG 84 10.653 -4.729 -11.065 597 HE ARG 84 HE ARG 84 12.025 -2.440 -12.097 598 1HH1 ARG 84 HH11 ARG 84 10.635 -5.534 -12.981 599 2HH1 ARG 84 HH12 ARG 84 11.655 -5.737 -14.364 600 1HH2 ARG 84 HH21 ARG 84 13.368 -2.713 -13.920 601 2HH2 ARG 84 HH22 ARG 84 13.209 -4.133 -14.899 602 H GLY 85 HN GLY 85 6.535 -1.947 -12.232 603 1HA GLY 85 HA2 GLY 85 5.149 -1.326 -13.953 604 2HA GLY 85 HA1 GLY 85 4.964 -3.039 -14.304 605 H GLU 86 HN GLU 86 3.052 -3.971 -13.933 606 HA GLU 86 HA GLU 86 0.879 -2.343 -12.974 607 1HB GLU 86 HB2 GLU 86 0.710 -3.988 -14.892 608 2HB GLU 86 HB1 GLU 86 0.788 -5.276 -13.696 609 1HG GLU 86 HG2 GLU 86 -1.207 -3.999 -12.606 610 2HG GLU 86 HG1 GLU 86 -1.383 -3.297 -14.212 611 H ILE 87 HN ILE 87 0.450 -2.106 -10.892 612 HA ILE 87 HA ILE 87 0.912 -4.393 -9.087 613 HB ILE 87 HB ILE 87 1.045 -1.519 -8.197 614 1HG1 ILE 87 HG12 ILE 87 3.371 -3.280 -9.017 615 2HG1 ILE 87 HG11 ILE 87 2.777 -1.895 -9.927 616 1HG2 ILE 87 HG21 ILE 87 2.511 -2.718 -6.424 617 2HG2 ILE 87 HG22 ILE 87 1.712 -4.179 -7.003 618 3HG2 ILE 87 HG23 ILE 87 0.756 -2.859 -6.332 619 1HD1 ILE 87 HD11 ILE 87 4.103 -1.894 -7.235 620 2HD1 ILE 87 HD12 ILE 87 3.293 -0.485 -7.919 621 3HD1 ILE 87 HD13 ILE 87 4.689 -1.184 -8.739 622 H GLU 88 HN GLU 88 -0.872 -5.144 -8.159 623 HA GLU 88 HA GLU 88 -3.312 -3.537 -8.211 624 1HB GLU 88 HB2 GLU 88 -3.143 -5.988 -8.995 625 2HB GLU 88 HB1 GLU 88 -3.098 -6.395 -7.286 626 1HG GLU 88 HG2 GLU 88 -5.278 -5.840 -6.948 627 2HG GLU 88 HG1 GLU 88 -5.285 -4.627 -8.227 628 H PHE 89 HN PHE 89 -3.962 -2.445 -6.459 629 HA PHE 89 HA PHE 89 -2.978 -3.337 -3.825 630 1HB PHE 89 HB2 PHE 89 -2.694 -0.824 -5.116 631 2HB PHE 89 HB1 PHE 89 -3.785 -0.594 -3.754 632 HD1 PHE 89 HD1 PHE 89 -0.393 -1.501 -4.772 633 HD2 PHE 89 HD2 PHE 89 -3.022 -0.875 -1.485 634 HE1 PHE 89 HE1 PHE 89 1.535 -1.440 -3.247 635 HE2 PHE 89 HE2 PHE 89 -1.098 -0.811 0.046 636 HZ PHE 89 HZ PHE 89 1.185 -1.093 -0.834 637 H GLU 90 HN GLU 90 -4.425 -3.811 -2.309 638 HA GLU 90 HA GLU 90 -7.228 -3.005 -2.746 639 1HB GLU 90 HB2 GLU 90 -6.291 -5.497 -1.311 640 2HB GLU 90 HB1 GLU 90 -7.944 -5.073 -1.738 641 1HG GLU 90 HG2 GLU 90 -6.637 -5.030 -4.161 642 2HG GLU 90 HG1 GLU 90 -5.877 -6.375 -3.315 643 H VAL 91 HN VAL 91 -7.845 -1.522 -1.320 644 HA VAL 91 HA VAL 91 -6.994 -1.795 1.480 645 HB VAL 91 HB VAL 91 -6.780 0.697 1.624 646 1HG1 VAL 91 HG11 VAL 91 -4.608 0.553 -0.030 647 2HG1 VAL 91 HG12 VAL 91 -4.931 -1.146 0.308 648 3HG1 VAL 91 HG13 VAL 91 -4.660 -0.019 1.636 649 1HG2 VAL 91 HG21 VAL 91 -7.885 1.599 -0.191 650 2HG2 VAL 91 HG22 VAL 91 -7.198 0.436 -1.324 651 3HG2 VAL 91 HG23 VAL 91 -6.200 1.742 -0.687 652 H VAL 92 HN VAL 92 -8.304 -0.292 2.932 653 HA VAL 92 HA VAL 92 -11.034 0.140 1.943 654 HB VAL 92 HB VAL 92 -11.974 -0.804 4.038 655 1HG1 VAL 92 HG11 VAL 92 -12.205 -2.859 3.126 656 2HG1 VAL 92 HG12 VAL 92 -10.469 -3.078 2.904 657 3HG1 VAL 92 HG13 VAL 92 -11.386 -2.091 1.766 658 1HG2 VAL 92 HG21 VAL 92 -10.523 -2.385 5.334 659 2HG2 VAL 92 HG22 VAL 92 -10.118 -0.681 5.536 660 3HG2 VAL 92 HG23 VAL 92 -9.132 -1.703 4.491 661 H TYR 93 HN TYR 93 -11.899 2.027 2.602 662 HA TYR 93 HA TYR 93 -10.324 3.865 4.109 663 1HB TYR 93 HB2 TYR 93 -12.235 4.198 2.249 664 2HB TYR 93 HB1 TYR 93 -13.212 4.430 3.694 665 HD1 TYR 93 HD1 TYR 93 -12.026 6.317 1.308 666 HD2 TYR 93 HD2 TYR 93 -11.321 5.833 5.479 667 HE1 TYR 93 HE1 TYR 93 -11.252 8.645 1.445 668 HE2 TYR 93 HE2 TYR 93 -10.545 8.158 5.624 669 HH TYR 93 HH TYR 93 -9.462 9.872 3.508 670 H VAL 94 HN VAL 94 -10.221 4.116 6.239 671 HA VAL 94 HA VAL 94 -12.346 2.930 7.895 672 HB VAL 94 HB VAL 94 -10.629 3.013 9.744 673 1HG1 VAL 94 HG11 VAL 94 -9.493 1.289 7.617 674 2HG1 VAL 94 HG12 VAL 94 -11.196 1.069 8.018 675 3HG1 VAL 94 HG13 VAL 94 -9.965 0.892 9.268 676 1HG2 VAL 94 HG21 VAL 94 -8.330 3.321 9.256 677 2HG2 VAL 94 HG22 VAL 94 -9.171 4.694 8.537 678 3HG2 VAL 94 HG23 VAL 94 -8.630 3.360 7.518 679 H ALA 95 HN ALA 95 -13.330 4.088 9.503 680 HA ALA 95 HA ALA 95 -12.459 6.764 10.168 681 1HB ALA 95 HB1 ALA 95 -14.335 7.947 9.380 682 2HB ALA 95 HB2 ALA 95 -15.213 6.464 9.005 683 3HB ALA 95 HB3 ALA 95 -13.819 6.935 8.031 Start of MODEL 10 1 HT1 PRO 9 HT2 PRO 9 -16.631 -1.200 3.565 2 HT2 PRO 9 HT1 PRO 9 -15.067 -0.691 3.633 3 HA PRO 9 HA PRO 9 -16.911 -0.658 1.577 4 1HB PRO 9 HB2 PRO 9 -15.379 1.652 1.037 5 2HB PRO 9 HB1 PRO 9 -17.128 1.558 1.282 6 1HG PRO 9 HG2 PRO 9 -14.979 2.243 3.220 7 2HG PRO 9 HG1 PRO 9 -16.646 2.839 3.128 8 1HD PRO 9 HD2 PRO 9 -15.934 1.085 5.006 9 2HD PRO 9 HD1 PRO 9 -17.511 0.956 4.202 10 H ILE 10 HN ILE 10 -15.848 -1.336 -0.264 11 HA ILE 10 HA ILE 10 -13.020 -2.027 0.098 12 HB ILE 10 HB ILE 10 -14.537 -3.891 -0.409 13 1HG1 ILE 10 HG12 ILE 10 -13.228 -4.213 -2.870 14 2HG1 ILE 10 HG11 ILE 10 -12.170 -3.178 -1.919 15 1HG2 ILE 10 HG21 ILE 10 -16.172 -2.632 -1.747 16 2HG2 ILE 10 HG22 ILE 10 -15.631 -4.101 -2.555 17 3HG2 ILE 10 HG23 ILE 10 -14.999 -2.535 -3.059 18 1HD1 ILE 10 HD11 ILE 10 -12.281 -4.859 -0.091 19 2HD1 ILE 10 HD12 ILE 10 -11.523 -5.441 -1.574 20 3HD1 ILE 10 HD13 ILE 10 -13.177 -5.911 -1.186 21 H ARG 11 HN ARG 11 -11.454 -1.091 -1.049 22 HA ARG 11 HA ARG 11 -12.207 0.475 -3.429 23 1HB ARG 11 HB2 ARG 11 -11.656 1.922 -1.489 24 2HB ARG 11 HB1 ARG 11 -10.062 1.183 -1.416 25 1HG ARG 11 HG2 ARG 11 -9.279 2.565 -2.961 26 2HG ARG 11 HG1 ARG 11 -10.591 2.161 -4.070 27 1HD ARG 11 HD2 ARG 11 -11.165 3.974 -1.779 28 2HD ARG 11 HD1 ARG 11 -10.263 4.612 -3.153 29 HE ARG 11 HE ARG 11 -12.659 3.220 -3.909 30 1HH1 ARG 11 HH11 ARG 11 -11.370 6.304 -2.863 31 2HH1 ARG 11 HH12 ARG 11 -12.660 7.220 -3.566 32 1HH2 ARG 11 HH21 ARG 11 -14.359 4.435 -4.829 33 2HH2 ARG 11 HH22 ARG 11 -14.355 6.161 -4.680 34 H LYS 12 HN LYS 12 -11.273 -0.219 -5.232 35 HA LYS 12 HA LYS 12 -8.761 -1.747 -5.022 36 1HB LYS 12 HB2 LYS 12 -10.725 -1.856 -7.315 37 2HB LYS 12 HB1 LYS 12 -9.378 -2.941 -7.003 38 1HG LYS 12 HG2 LYS 12 -11.658 -2.697 -5.074 39 2HG LYS 12 HG1 LYS 12 -11.745 -3.758 -6.481 40 1HD LYS 12 HD2 LYS 12 -9.310 -4.414 -5.428 41 2HD LYS 12 HD1 LYS 12 -10.251 -4.062 -3.977 42 1HE LYS 12 HE2 LYS 12 -10.756 -6.274 -4.236 43 2HE LYS 12 HE1 LYS 12 -12.047 -5.560 -5.201 44 1HZ LYS 12 HZ1 LYS 12 -10.829 -6.001 -7.191 45 2HZ LYS 12 HZ2 LYS 12 -10.891 -7.436 -6.297 46 3HZ LYS 12 HZ3 LYS 12 -9.469 -6.518 -6.326 47 H VAL 13 HN VAL 13 -7.058 -0.534 -5.545 48 HA VAL 13 HA VAL 13 -7.231 1.159 -7.946 49 HB VAL 13 HB VAL 13 -5.758 1.996 -5.442 50 1HG1 VAL 13 HG11 VAL 13 -5.067 3.836 -6.557 51 2HG1 VAL 13 HG12 VAL 13 -6.542 3.944 -7.516 52 3HG1 VAL 13 HG13 VAL 13 -5.282 2.797 -7.966 53 1HG2 VAL 13 HG21 VAL 13 -8.164 1.997 -5.010 54 2HG2 VAL 13 HG22 VAL 13 -8.429 2.969 -6.457 55 3HG2 VAL 13 HG23 VAL 13 -7.533 3.642 -5.095 56 H LEU 14 HN LEU 14 -5.531 1.011 -9.310 57 HA LEU 14 HA LEU 14 -3.375 -0.829 -8.570 58 1HB LEU 14 HB2 LEU 14 -4.301 0.220 -11.244 59 2HB LEU 14 HB1 LEU 14 -2.876 -0.780 -11.036 60 HG LEU 14 HG LEU 14 -4.573 -2.436 -9.892 61 1HD1 LEU 14 HD11 LEU 14 -6.620 -1.460 -9.852 62 2HD1 LEU 14 HD12 LEU 14 -6.712 -2.177 -11.461 63 3HD1 LEU 14 HD13 LEU 14 -6.303 -0.471 -11.278 64 1HD2 LEU 14 HD21 LEU 14 -4.104 -1.957 -12.814 65 2HD2 LEU 14 HD22 LEU 14 -5.091 -3.309 -12.258 66 3HD2 LEU 14 HD23 LEU 14 -3.405 -3.186 -11.760 67 H LEU 15 HN LEU 15 -1.246 -0.264 -8.571 68 HA LEU 15 HA LEU 15 -0.658 2.604 -8.878 69 1HB LEU 15 HB2 LEU 15 -0.270 1.086 -6.688 70 2HB LEU 15 HB1 LEU 15 1.263 0.818 -7.495 71 HG LEU 15 HG LEU 15 1.570 3.307 -7.583 72 1HD1 LEU 15 HD11 LEU 15 -1.049 3.511 -7.092 73 2HD1 LEU 15 HD12 LEU 15 0.106 4.778 -6.681 74 3HD1 LEU 15 HD13 LEU 15 -0.441 3.648 -5.443 75 1HD2 LEU 15 HD21 LEU 15 2.094 3.507 -5.151 76 2HD2 LEU 15 HD22 LEU 15 2.731 2.049 -5.911 77 3HD2 LEU 15 HD23 LEU 15 1.287 1.959 -4.902 78 H LEU 16 HN LEU 16 0.460 3.166 -10.621 79 HA LEU 16 HA LEU 16 2.171 1.150 -11.917 80 1HB LEU 16 HB2 LEU 16 0.310 1.984 -13.297 81 2HB LEU 16 HB1 LEU 16 0.898 3.623 -13.096 82 HG LEU 16 HG LEU 16 3.107 2.529 -14.146 83 1HD1 LEU 16 HD11 LEU 16 0.900 1.001 -15.503 84 2HD1 LEU 16 HD12 LEU 16 1.956 0.301 -14.275 85 3HD1 LEU 16 HD13 LEU 16 2.636 0.890 -15.792 86 1HD2 LEU 16 HD21 LEU 16 0.719 3.835 -15.319 87 2HD2 LEU 16 HD22 LEU 16 1.899 3.150 -16.435 88 3HD2 LEU 16 HD23 LEU 16 2.397 4.373 -15.267 89 H LYS 17 HN LYS 17 4.266 1.413 -11.523 90 HA LYS 17 HA LYS 17 5.397 4.105 -11.629 91 1HB LYS 17 HB2 LYS 17 6.831 3.568 -9.625 92 2HB LYS 17 HB1 LYS 17 5.132 3.853 -9.282 93 1HG LYS 17 HG2 LYS 17 5.493 2.012 -7.995 94 2HG LYS 17 HG1 LYS 17 4.991 1.232 -9.495 95 1HD LYS 17 HD2 LYS 17 6.884 0.035 -9.165 96 2HD LYS 17 HD1 LYS 17 7.632 1.427 -9.949 97 1HE LYS 17 HE2 LYS 17 8.107 2.405 -7.758 98 2HE LYS 17 HE1 LYS 17 7.354 1.017 -6.973 99 1HZ LYS 17 HZ1 LYS 17 9.080 -0.369 -7.577 100 2HZ LYS 17 HZ2 LYS 17 9.900 1.074 -7.249 101 3HZ LYS 17 HZ3 LYS 17 9.594 0.623 -8.850 102 H GLU 18 HN GLU 18 7.637 4.182 -12.085 103 HA GLU 18 HA GLU 18 8.585 1.823 -13.535 104 1HB GLU 18 HB2 GLU 18 8.719 4.673 -13.966 105 2HB GLU 18 HB1 GLU 18 10.336 3.985 -13.964 106 1HG GLU 18 HG2 GLU 18 8.193 2.681 -15.571 107 2HG GLU 18 HG1 GLU 18 8.970 4.146 -16.171 108 H ASP 19 HN ASP 19 11.097 1.668 -13.562 109 HA ASP 19 HA ASP 19 11.965 0.911 -11.011 110 1HB ASP 19 HB2 ASP 19 12.886 0.444 -13.506 111 2HB ASP 19 HB1 ASP 19 14.059 1.647 -12.978 112 H HIS 20 HN HIS 20 12.451 3.896 -12.828 113 HA HIS 20 HA HIS 20 14.279 5.039 -10.957 114 1HB HIS 20 HB2 HIS 20 13.890 7.146 -12.214 115 2HB HIS 20 HB1 HIS 20 14.317 5.794 -13.254 116 HD1 HIS 20 HD1 HIS 20 11.398 7.977 -12.317 117 HD2 HIS 20 HD2 HIS 20 12.413 5.108 -15.145 118 HE1 HIS 20 HE1 HIS 20 9.566 8.052 -14.037 119 HE2 HIS 20 HE2 HIS 20 10.123 6.198 -15.650 120 H GLU 21 HN GLU 21 10.791 4.987 -11.273 121 HA GLU 21 HA GLU 21 10.302 7.134 -9.440 122 1HB GLU 21 HB2 GLU 21 8.423 4.932 -10.319 123 2HB GLU 21 HB1 GLU 21 7.967 6.436 -9.534 124 1HG GLU 21 HG2 GLU 21 8.895 7.654 -11.508 125 2HG GLU 21 HG1 GLU 21 9.106 6.090 -12.294 126 H GLY 22 HN GLY 22 8.905 6.724 -7.449 127 1HA GLY 22 HA2 GLY 22 10.012 4.422 -5.960 128 2HA GLY 22 HA1 GLY 22 9.736 5.999 -5.239 129 H LEU 23 HN LEU 23 8.400 5.164 -3.622 130 HA LEU 23 HA LEU 23 6.077 3.596 -4.249 131 1HB LEU 23 HB2 LEU 23 7.523 3.844 -2.014 132 2HB LEU 23 HB1 LEU 23 6.280 5.023 -1.649 133 HG LEU 23 HG LEU 23 4.652 3.059 -2.303 134 1HD1 LEU 23 HD11 LEU 23 6.939 1.447 -1.229 135 2HD1 LEU 23 HD12 LEU 23 6.689 1.652 -2.963 136 3HD1 LEU 23 HD13 LEU 23 5.441 0.892 -1.976 137 1HD2 LEU 23 HD21 LEU 23 6.081 3.632 0.242 138 2HD2 LEU 23 HD22 LEU 23 5.033 2.215 0.167 139 3HD2 LEU 23 HD23 LEU 23 4.376 3.817 -0.167 140 H GLY 24 HN GLY 24 6.409 6.866 -2.807 141 1HA GLY 24 HA2 GLY 24 5.222 8.757 -3.694 142 2HA GLY 24 HA1 GLY 24 3.997 7.659 -4.300 143 H ILE 25 HN ILE 25 4.335 6.340 -1.443 144 HA ILE 25 HA ILE 25 2.919 8.348 0.140 145 HB ILE 25 HB ILE 25 1.247 6.550 0.830 146 1HG1 ILE 25 HG12 ILE 25 1.171 5.235 -1.712 147 2HG1 ILE 25 HG11 ILE 25 2.778 5.034 -1.024 148 1HG2 ILE 25 HG21 ILE 25 -0.086 6.926 -1.385 149 2HG2 ILE 25 HG22 ILE 25 1.250 8.012 -1.764 150 3HG2 ILE 25 HG23 ILE 25 0.280 8.281 -0.317 151 1HD1 ILE 25 HD11 ILE 25 2.053 3.559 0.461 152 2HD1 ILE 25 HD12 ILE 25 0.555 3.515 -0.468 153 3HD1 ILE 25 HD13 ILE 25 0.695 4.579 0.931 154 H SER 26 HN SER 26 2.585 7.604 2.413 155 HA SER 26 HA SER 26 4.733 5.765 3.251 156 1HB SER 26 HB2 SER 26 5.087 8.257 3.726 157 2HB SER 26 HB1 SER 26 3.776 8.106 4.895 158 HG SER 26 HG SER 26 6.344 7.445 5.183 159 H ILE 27 HN ILE 27 4.231 4.218 4.717 160 HA ILE 27 HA ILE 27 1.468 4.200 5.745 161 HB ILE 27 HB ILE 27 1.727 1.677 5.803 162 1HG1 ILE 27 HG12 ILE 27 3.988 2.270 3.879 163 2HG1 ILE 27 HG11 ILE 27 4.194 1.652 5.515 164 1HG2 ILE 27 HG21 ILE 27 1.847 2.482 2.958 165 2HG2 ILE 27 HG22 ILE 27 0.638 3.276 3.967 166 3HG2 ILE 27 HG23 ILE 27 0.647 1.519 3.819 167 1HD1 ILE 27 HD11 ILE 27 3.580 -0.440 4.941 168 2HD1 ILE 27 HD12 ILE 27 4.130 0.094 3.353 169 3HD1 ILE 27 HD13 ILE 27 2.410 0.111 3.742 170 H THR 28 HN THR 28 1.097 3.245 7.799 171 HA THR 28 HA THR 28 3.452 2.820 9.483 172 HB THR 28 HB THR 28 2.932 5.143 9.844 173 HG1 THR 28 HG1 THR 28 1.760 3.802 12.037 174 1HG2 THR 28 HG21 THR 28 0.813 5.964 10.610 175 2HG2 THR 28 HG22 THR 28 0.126 4.341 10.569 176 3HG2 THR 28 HG23 THR 28 0.595 5.137 9.067 177 H GLY 29 HN GLY 29 3.138 1.450 11.237 178 1HA GLY 29 HA2 GLY 29 1.020 0.545 12.559 179 2HA GLY 29 HA1 GLY 29 0.789 -0.264 11.015 180 H GLY 30 HN GLY 30 1.033 -2.326 11.973 181 1HA GLY 30 HA2 GLY 30 3.445 -3.570 11.770 182 2HA GLY 30 HA1 GLY 30 3.439 -2.978 13.422 183 H LYS 31 HN LYS 31 2.448 -5.450 11.321 184 HA LYS 31 HA LYS 31 0.193 -6.494 12.594 185 1HB LYS 31 HB2 LYS 31 1.470 -7.190 10.389 186 2HB LYS 31 HB1 LYS 31 2.242 -8.353 11.455 187 1HG LYS 31 HG2 LYS 31 -0.739 -8.085 11.176 188 2HG LYS 31 HG1 LYS 31 0.242 -9.191 10.214 189 1HD LYS 31 HD2 LYS 31 1.110 -9.945 12.589 190 2HD LYS 31 HD1 LYS 31 -0.435 -9.276 13.115 191 1HE LYS 31 HE2 LYS 31 -1.663 -10.795 11.823 192 2HE LYS 31 HE1 LYS 31 -0.265 -11.220 10.837 193 1HZ LYS 31 HZ1 LYS 31 -1.146 -12.740 12.810 194 2HZ LYS 31 HZ2 LYS 31 -0.065 -11.782 13.691 195 3HZ LYS 31 HZ3 LYS 31 0.485 -12.681 12.368 196 H GLU 32 HN GLU 32 3.613 -6.806 13.391 197 HA GLU 32 HA GLU 32 3.437 -8.908 15.244 198 1HB GLU 32 HB2 GLU 32 5.354 -6.570 15.300 199 2HB GLU 32 HB1 GLU 32 5.575 -8.117 16.105 200 1HG GLU 32 HG2 GLU 32 5.684 -9.237 13.949 201 2HG GLU 32 HG1 GLU 32 5.419 -7.701 13.129 202 H HIS 33 HN HIS 33 2.716 -5.489 15.546 203 HA HIS 33 HA HIS 33 2.508 -5.586 18.428 204 1HB HIS 33 HB2 HIS 33 1.698 -3.421 16.473 205 2HB HIS 33 HB1 HIS 33 1.714 -3.257 18.225 206 HD1 HIS 33 HD1 HIS 33 3.887 -2.600 19.295 207 HD2 HIS 33 HD2 HIS 33 4.334 -3.697 15.311 208 HE1 HIS 33 HE1 HIS 33 6.257 -2.008 18.696 209 HE2 HIS 33 HE2 HIS 33 6.502 -2.670 16.277 210 H GLY 34 HN GLY 34 0.372 -5.825 15.662 211 1HA GLY 34 HA2 GLY 34 -1.680 -7.113 15.974 212 2HA GLY 34 HA1 GLY 34 -1.873 -6.305 17.520 213 H VAL 35 HN VAL 35 -0.899 -4.652 14.568 214 HA VAL 35 HA VAL 35 -3.586 -3.540 14.263 215 HB VAL 35 HB VAL 35 -2.392 -1.959 15.715 216 1HG1 VAL 35 HG11 VAL 35 -0.142 -2.618 14.388 217 2HG1 VAL 35 HG12 VAL 35 -0.319 -1.151 15.350 218 3HG1 VAL 35 HG13 VAL 35 -0.533 -1.090 13.600 219 1HG2 VAL 35 HG21 VAL 35 -2.664 -0.766 12.964 220 2HG2 VAL 35 HG22 VAL 35 -2.925 0.020 14.521 221 3HG2 VAL 35 HG23 VAL 35 -4.046 -1.220 13.961 222 HA PRO 36 HA PRO 36 -2.620 -4.377 10.005 223 1HB PRO 36 HB2 PRO 36 -4.787 -2.450 9.415 224 2HB PRO 36 HB1 PRO 36 -4.644 -4.152 8.968 225 1HG PRO 36 HG2 PRO 36 -6.373 -3.347 10.848 226 2HG PRO 36 HG1 PRO 36 -5.514 -4.893 10.977 227 1HD PRO 36 HD2 PRO 36 -4.972 -2.299 12.368 228 2HD PRO 36 HD1 PRO 36 -4.899 -3.957 13.003 229 H ILE 37 HN ILE 37 -1.776 -3.303 8.154 230 HA ILE 37 HA ILE 37 -0.453 -0.802 8.790 231 HB ILE 37 HB ILE 37 -0.281 -2.350 6.201 232 1HG1 ILE 37 HG12 ILE 37 0.336 -3.848 8.020 233 2HG1 ILE 37 HG11 ILE 37 1.776 -3.367 7.131 234 1HG2 ILE 37 HG21 ILE 37 2.115 -1.192 6.499 235 2HG2 ILE 37 HG22 ILE 37 1.117 -0.017 7.355 236 3HG2 ILE 37 HG23 ILE 37 0.764 -0.416 5.674 237 1HD1 ILE 37 HD11 ILE 37 0.878 -2.175 9.744 238 2HD1 ILE 37 HD12 ILE 37 2.361 -1.795 8.871 239 3HD1 ILE 37 HD13 ILE 37 2.128 -3.404 9.554 240 H LEU 38 HN LEU 38 -0.874 1.171 7.906 241 HA LEU 38 HA LEU 38 -2.764 1.376 5.696 242 1HB LEU 38 HB2 LEU 38 -4.006 3.189 6.988 243 2HB LEU 38 HB1 LEU 38 -4.333 1.520 7.410 244 HG LEU 38 HG LEU 38 -2.229 2.862 9.002 245 1HD1 LEU 38 HD11 LEU 38 -3.642 4.714 9.023 246 2HD1 LEU 38 HD12 LEU 38 -4.110 3.815 10.466 247 3HD1 LEU 38 HD13 LEU 38 -5.100 3.723 9.010 248 1HD2 LEU 38 HD21 LEU 38 -2.799 1.326 10.552 249 2HD2 LEU 38 HD22 LEU 38 -3.514 0.498 9.169 250 3HD2 LEU 38 HD23 LEU 38 -4.525 1.480 10.228 251 H ILE 39 HN ILE 39 -2.879 3.520 4.748 252 HA ILE 39 HA ILE 39 -0.283 4.832 4.799 253 HB ILE 39 HB ILE 39 -2.627 5.555 3.043 254 1HG1 ILE 39 HG12 ILE 39 -0.412 3.645 2.291 255 2HG1 ILE 39 HG11 ILE 39 -1.965 3.094 2.910 256 1HG2 ILE 39 HG21 ILE 39 -0.631 7.098 3.275 257 2HG2 ILE 39 HG22 ILE 39 -1.047 6.599 1.636 258 3HG2 ILE 39 HG23 ILE 39 0.310 5.843 2.469 259 1HD1 ILE 39 HD11 ILE 39 -1.563 3.186 0.363 260 2HD1 ILE 39 HD12 ILE 39 -1.855 4.915 0.549 261 3HD1 ILE 39 HD13 ILE 39 -3.099 3.756 1.015 262 H SER 40 HN SER 40 0.131 6.663 5.845 263 HA SER 40 HA SER 40 -2.137 8.256 6.843 264 1HB SER 40 HB2 SER 40 -0.584 7.169 8.528 265 2HB SER 40 HB1 SER 40 0.673 8.262 7.952 266 HG SER 40 HG SER 40 -0.553 9.999 8.645 267 H GLU 41 HN GLU 41 0.974 8.421 5.167 268 HA GLU 41 HA GLU 41 0.381 11.236 4.527 269 1HB GLU 41 HB2 GLU 41 2.423 10.681 6.054 270 2HB GLU 41 HB1 GLU 41 3.185 10.172 4.555 271 1HG GLU 41 HG2 GLU 41 3.058 12.341 3.636 272 2HG GLU 41 HG1 GLU 41 1.954 12.890 4.897 273 H ILE 42 HN ILE 42 0.815 11.952 2.441 274 HA ILE 42 HA ILE 42 1.481 9.870 0.466 275 HB ILE 42 HB ILE 42 -0.565 12.053 0.031 276 1HG1 ILE 42 HG12 ILE 42 -1.688 9.417 -0.081 277 2HG1 ILE 42 HG11 ILE 42 -0.856 9.609 1.458 278 1HG2 ILE 42 HG21 ILE 42 -0.700 11.400 -2.108 279 2HG2 ILE 42 HG22 ILE 42 -0.558 9.691 -1.701 280 3HG2 ILE 42 HG23 ILE 42 0.889 10.691 -1.826 281 1HD1 ILE 42 HD11 ILE 42 -2.140 11.694 1.827 282 2HD1 ILE 42 HD12 ILE 42 -3.142 10.247 1.721 283 3HD1 ILE 42 HD13 ILE 42 -3.040 11.351 0.350 284 H HIS 43 HN HIS 43 3.248 10.393 -0.645 285 HA HIS 43 HA HIS 43 4.343 13.054 -0.553 286 1HB HIS 43 HB2 HIS 43 5.267 10.562 -2.002 287 2HB HIS 43 HB1 HIS 43 6.171 12.070 -1.941 288 HD1 HIS 43 HD1 HIS 43 8.100 11.628 -0.449 289 HD2 HIS 43 HD2 HIS 43 4.572 10.056 1.084 290 HE1 HIS 43 HE1 HIS 43 8.699 10.715 1.817 291 HE2 HIS 43 HE2 HIS 43 6.518 9.899 2.778 292 HA PRO 44 HA PRO 44 1.980 14.352 -4.169 293 1HB PRO 44 HB2 PRO 44 3.765 16.708 -3.926 294 2HB PRO 44 HB1 PRO 44 2.001 16.633 -3.989 295 1HG PRO 44 HG2 PRO 44 3.262 17.166 -1.703 296 2HG PRO 44 HG1 PRO 44 1.809 16.148 -1.731 297 1HD PRO 44 HD2 PRO 44 4.686 15.342 -1.501 298 2HD PRO 44 HD1 PRO 44 3.265 14.701 -0.651 299 H GLY 45 HN GLY 45 2.375 14.551 -6.363 300 1HA GLY 45 HA2 GLY 45 3.566 14.546 -8.344 301 2HA GLY 45 HA1 GLY 45 5.027 14.871 -7.425 302 H GLN 46 HN GLN 46 2.794 12.160 -7.034 303 HA GLN 46 HA GLN 46 4.732 10.321 -8.213 304 1HB GLN 46 HB2 GLN 46 4.428 10.689 -5.400 305 2HB GLN 46 HB1 GLN 46 3.768 9.112 -5.812 306 1HG GLN 46 HG2 GLN 46 5.801 8.263 -5.959 307 2HG GLN 46 HG1 GLN 46 6.242 9.456 -7.180 308 1HE2 GLN 46 HE21 GLN 46 6.274 11.786 -5.863 309 2HE2 GLN 46 HE22 GLN 46 7.442 11.762 -4.590 310 HA PRO 47 HA PRO 47 1.392 7.832 -9.696 311 1HB PRO 47 HB2 PRO 47 2.019 5.684 -7.719 312 2HB PRO 47 HB1 PRO 47 1.802 5.574 -9.470 313 1HG PRO 47 HG2 PRO 47 4.232 5.484 -8.411 314 2HG PRO 47 HG1 PRO 47 3.935 6.376 -9.916 315 1HD PRO 47 HD2 PRO 47 4.353 7.411 -7.147 316 2HD PRO 47 HD1 PRO 47 4.871 8.100 -8.700 317 H ALA 48 HN ALA 48 1.664 7.918 -6.164 318 HA ALA 48 HA ALA 48 -0.956 7.103 -5.545 319 1HB ALA 48 HB1 ALA 48 1.209 8.537 -4.107 320 2HB ALA 48 HB2 ALA 48 0.346 7.060 -3.677 321 3HB ALA 48 HB3 ALA 48 -0.421 8.630 -3.440 322 H ASP 49 HN ASP 49 0.425 10.351 -6.026 323 HA ASP 49 HA ASP 49 -1.956 11.781 -5.505 324 1HB ASP 49 HB2 ASP 49 0.618 12.519 -5.896 325 2HB ASP 49 HB1 ASP 49 -0.057 12.936 -7.468 326 H ARG 50 HN ARG 50 -0.543 10.491 -8.479 327 HA ARG 50 HA ARG 50 -2.489 11.586 -10.235 328 1HB ARG 50 HB2 ARG 50 -0.691 9.191 -10.625 329 2HB ARG 50 HB1 ARG 50 -1.569 10.033 -11.894 330 1HG ARG 50 HG2 ARG 50 -0.178 12.080 -10.790 331 2HG ARG 50 HG1 ARG 50 0.934 10.734 -10.535 332 1HD ARG 50 HD2 ARG 50 1.472 10.647 -12.696 333 2HD ARG 50 HD1 ARG 50 -0.218 10.698 -13.195 334 HE ARG 50 HE ARG 50 0.025 12.922 -13.627 335 1HH1 ARG 50 HH11 ARG 50 2.638 11.936 -11.508 336 2HH1 ARG 50 HH12 ARG 50 3.453 13.461 -11.600 337 1HH2 ARG 50 HH21 ARG 50 1.103 14.929 -13.745 338 2HH2 ARG 50 HH22 ARG 50 2.580 15.162 -12.871 339 H CYS 51 HN CYS 51 -2.353 8.652 -8.320 340 HA CYS 51 HA CYS 51 -4.418 7.258 -9.694 341 1HB CYS 51 HB2 CYS 51 -3.059 6.948 -7.044 342 2HB CYS 51 HB1 CYS 51 -4.530 6.038 -7.367 343 HG CYS 51 HG CYS 51 -2.549 4.553 -8.075 344 H GLY 52 HN GLY 52 -4.425 9.700 -7.173 345 1HA GLY 52 HA2 GLY 52 -6.207 10.983 -6.427 346 2HA GLY 52 HA1 GLY 52 -7.272 10.041 -7.458 347 H GLY 53 HN GLY 53 -7.275 7.569 -6.594 348 1HA GLY 53 HA2 GLY 53 -8.822 7.534 -4.293 349 2HA GLY 53 HA1 GLY 53 -8.015 6.129 -4.971 350 H LEU 54 HN LEU 54 -5.338 7.491 -4.536 351 HA LEU 54 HA LEU 54 -4.763 6.360 -2.009 352 1HB LEU 54 HB2 LEU 54 -3.278 7.922 -4.045 353 2HB LEU 54 HB1 LEU 54 -2.638 7.975 -2.416 354 HG LEU 54 HG LEU 54 -1.543 6.251 -3.757 355 1HD1 LEU 54 HD11 LEU 54 -1.675 4.466 -2.185 356 2HD1 LEU 54 HD12 LEU 54 -3.275 4.981 -1.651 357 3HD1 LEU 54 HD13 LEU 54 -1.865 5.981 -1.304 358 1HD2 LEU 54 HD21 LEU 54 -4.351 5.312 -4.160 359 2HD2 LEU 54 HD22 LEU 54 -3.017 4.160 -4.198 360 3HD2 LEU 54 HD23 LEU 54 -3.052 5.506 -5.336 361 H HIS 55 HN HIS 55 -6.119 7.266 -0.475 362 HA HIS 55 HA HIS 55 -5.649 10.103 0.176 363 1HB HIS 55 HB2 HIS 55 -7.872 10.063 1.274 364 2HB HIS 55 HB1 HIS 55 -7.971 9.696 -0.445 365 HD1 HIS 55 HD1 HIS 55 -7.643 7.647 2.769 366 HD2 HIS 55 HD2 HIS 55 -9.615 7.592 -0.890 367 HE1 HIS 55 HE1 HIS 55 -9.051 5.569 2.795 368 HE2 HIS 55 HE2 HIS 55 -10.220 5.541 0.565 369 H VAL 56 HN VAL 56 -5.650 10.677 2.455 370 HA VAL 56 HA VAL 56 -4.020 8.978 4.021 371 HB VAL 56 HB VAL 56 -5.701 11.290 5.013 372 1HG1 VAL 56 HG11 VAL 56 -4.961 10.331 6.948 373 2HG1 VAL 56 HG12 VAL 56 -3.581 11.368 6.587 374 3HG1 VAL 56 HG13 VAL 56 -3.520 9.650 6.194 375 1HG2 VAL 56 HG21 VAL 56 -3.581 12.607 4.745 376 2HG2 VAL 56 HG22 VAL 56 -4.363 12.139 3.236 377 3HG2 VAL 56 HG23 VAL 56 -2.942 11.260 3.801 378 H GLY 57 HN GLY 57 -4.512 7.424 5.476 379 1HA GLY 57 HA2 GLY 57 -5.813 6.340 7.114 380 2HA GLY 57 HA1 GLY 57 -7.213 7.255 6.581 381 H ASP 58 HN ASP 58 -4.992 5.300 4.617 382 HA ASP 58 HA ASP 58 -7.291 3.610 3.868 383 1HB ASP 58 HB2 ASP 58 -5.492 5.044 2.244 384 2HB ASP 58 HB1 ASP 58 -5.030 3.355 2.079 385 H ALA 59 HN ALA 59 -7.246 1.604 4.679 386 HA ALA 59 HA ALA 59 -4.731 0.540 5.711 387 1HB ALA 59 HB1 ALA 59 -6.422 -1.320 6.494 388 2HB ALA 59 HB2 ALA 59 -7.607 -0.052 6.178 389 3HB ALA 59 HB3 ALA 59 -6.306 0.226 7.336 390 H ILE 60 HN ILE 60 -3.601 -1.057 4.809 391 HA ILE 60 HA ILE 60 -4.420 -2.116 2.246 392 HB ILE 60 HB ILE 60 -1.967 -2.893 3.824 393 1HG1 ILE 60 HG12 ILE 60 -1.099 -1.137 1.897 394 2HG1 ILE 60 HG11 ILE 60 -2.607 -0.393 2.417 395 1HG2 ILE 60 HG21 ILE 60 -2.231 -4.412 2.079 396 2HG2 ILE 60 HG22 ILE 60 -1.107 -3.219 1.428 397 3HG2 ILE 60 HG23 ILE 60 -2.808 -3.176 0.962 398 1HD1 ILE 60 HD11 ILE 60 -0.096 -0.259 3.650 399 2HD1 ILE 60 HD12 ILE 60 -1.119 -1.231 4.706 400 3HD1 ILE 60 HD13 ILE 60 -1.627 0.390 4.234 401 H LEU 61 HN LEU 61 -4.637 -4.320 1.719 402 HA LEU 61 HA LEU 61 -4.973 -6.191 3.952 403 1HB LEU 61 HB2 LEU 61 -7.016 -5.446 1.896 404 2HB LEU 61 HB1 LEU 61 -7.015 -7.059 2.583 405 HG LEU 61 HG LEU 61 -7.128 -4.587 4.300 406 1HD1 LEU 61 HD11 LEU 61 -9.592 -5.116 4.453 407 2HD1 LEU 61 HD12 LEU 61 -9.376 -6.114 3.015 408 3HD1 LEU 61 HD13 LEU 61 -9.048 -4.383 2.944 409 1HD2 LEU 61 HD21 LEU 61 -6.660 -6.252 5.766 410 2HD2 LEU 61 HD22 LEU 61 -7.324 -7.511 4.724 411 3HD2 LEU 61 HD23 LEU 61 -8.405 -6.488 5.670 412 H ALA 62 HN ALA 62 -5.017 -5.910 0.379 413 HA ALA 62 HA ALA 62 -3.218 -8.223 0.256 414 1HB ALA 62 HB1 ALA 62 -4.729 -8.789 -1.887 415 2HB ALA 62 HB2 ALA 62 -5.961 -8.093 -0.834 416 3HB ALA 62 HB3 ALA 62 -5.015 -9.478 -0.289 417 H VAL 63 HN VAL 63 -1.854 -8.290 -1.536 418 HA VAL 63 HA VAL 63 -1.941 -5.958 -3.337 419 HB VAL 63 HB VAL 63 0.597 -7.107 -2.162 420 1HG1 VAL 63 HG11 VAL 63 0.038 -4.776 -3.982 421 2HG1 VAL 63 HG12 VAL 63 1.044 -6.188 -4.300 422 3HG1 VAL 63 HG13 VAL 63 1.563 -4.984 -3.121 423 1HG2 VAL 63 HG21 VAL 63 -1.193 -4.940 -1.238 424 2HG2 VAL 63 HG22 VAL 63 0.539 -4.612 -1.193 425 3HG2 VAL 63 HG23 VAL 63 -0.119 -5.996 -0.321 426 H ASN 64 HN ASN 64 -2.206 -6.668 -5.344 427 HA ASN 64 HA ASN 64 -2.162 -7.963 -7.212 428 1HB ASN 64 HB2 ASN 64 0.446 -7.493 -6.484 429 2HB ASN 64 HB1 ASN 64 0.422 -9.247 -6.632 430 1HD2 ASN 64 HD21 ASN 64 1.644 -7.045 -8.283 431 2HD2 ASN 64 HD22 ASN 64 1.110 -7.370 -9.893 432 H GLY 65 HN GLY 65 -3.365 -9.124 -4.839 433 1HA GLY 65 HA2 GLY 65 -4.511 -11.174 -4.670 434 2HA GLY 65 HA1 GLY 65 -3.285 -11.922 -5.677 435 H VAL 66 HN VAL 66 -1.259 -10.490 -3.760 436 HA VAL 66 HA VAL 66 -0.996 -12.761 -1.986 437 HB VAL 66 HB VAL 66 0.766 -10.309 -2.100 438 1HG1 VAL 66 HG11 VAL 66 1.721 -13.037 -1.388 439 2HG1 VAL 66 HG12 VAL 66 0.806 -12.125 -0.188 440 3HG1 VAL 66 HG13 VAL 66 2.299 -11.461 -0.850 441 1HG2 VAL 66 HG21 VAL 66 0.940 -11.044 -4.279 442 2HG2 VAL 66 HG22 VAL 66 0.657 -12.729 -3.846 443 3HG2 VAL 66 HG23 VAL 66 2.214 -11.980 -3.496 444 H ASN 67 HN ASN 67 -1.281 -12.791 0.190 445 HA ASN 67 HA ASN 67 -2.926 -10.756 1.351 446 1HB ASN 67 HB2 ASN 67 -2.051 -13.461 2.057 447 2HB ASN 67 HB1 ASN 67 -2.146 -12.386 3.447 448 1HD2 ASN 67 HD21 ASN 67 -3.932 -13.145 4.426 449 2HD2 ASN 67 HD22 ASN 67 -5.503 -13.183 3.706 450 H LEU 68 HN LEU 68 -2.380 -9.090 2.622 451 HA LEU 68 HA LEU 68 0.449 -8.823 3.395 452 1HB LEU 68 HB2 LEU 68 -0.488 -7.110 1.844 453 2HB LEU 68 HB1 LEU 68 -1.611 -6.636 3.104 454 HG LEU 68 HG LEU 68 1.244 -6.608 3.872 455 1HD1 LEU 68 HD11 LEU 68 0.380 -4.229 2.345 456 2HD1 LEU 68 HD12 LEU 68 0.853 -5.649 1.412 457 3HD1 LEU 68 HD13 LEU 68 1.985 -4.927 2.554 458 1HD2 LEU 68 HD21 LEU 68 -1.256 -5.146 4.468 459 2HD2 LEU 68 HD22 LEU 68 0.245 -4.228 4.583 460 3HD2 LEU 68 HD23 LEU 68 0.030 -5.690 5.545 461 H ARG 69 HN ARG 69 -2.790 -9.033 4.644 462 HA ARG 69 HA ARG 69 -2.447 -7.764 7.124 463 1HB ARG 69 HB2 ARG 69 -4.617 -8.606 6.071 464 2HB ARG 69 HB1 ARG 69 -4.185 -10.189 6.700 465 1HG ARG 69 HG2 ARG 69 -4.680 -9.634 8.829 466 2HG ARG 69 HG1 ARG 69 -4.122 -7.972 8.642 467 1HD ARG 69 HD2 ARG 69 -6.140 -7.261 7.739 468 2HD ARG 69 HD1 ARG 69 -6.618 -8.890 7.267 469 HE ARG 69 HE ARG 69 -6.536 -9.024 9.971 470 1HH1 ARG 69 HH11 ARG 69 -8.147 -6.856 7.738 471 2HH1 ARG 69 HH12 ARG 69 -9.471 -6.541 8.808 472 1HH2 ARG 69 HH21 ARG 69 -8.289 -8.603 11.372 473 2HH2 ARG 69 HH22 ARG 69 -9.551 -7.530 10.868 474 H ASP 70 HN ASP 70 -1.414 -10.913 6.006 475 HA ASP 70 HA ASP 70 -0.711 -11.761 8.711 476 1HB ASP 70 HB2 ASP 70 -0.700 -13.171 6.047 477 2HB ASP 70 HB1 ASP 70 0.007 -13.884 7.494 478 H THR 71 HN THR 71 0.738 -9.663 6.827 479 HA THR 71 HA THR 71 3.433 -10.792 7.184 480 HB THR 71 HB THR 71 4.217 -9.463 5.364 481 HG1 THR 71 HG1 THR 71 3.067 -7.855 4.445 482 1HG2 THR 71 HG21 THR 71 2.796 -10.088 3.462 483 2HG2 THR 71 HG22 THR 71 1.542 -10.598 4.592 484 3HG2 THR 71 HG23 THR 71 3.095 -11.433 4.561 485 H LYS 72 HN LYS 72 5.139 -9.178 7.675 486 HA LYS 72 HA LYS 72 4.214 -7.410 9.791 487 1HB LYS 72 HB2 LYS 72 6.833 -8.596 8.995 488 2HB LYS 72 HB1 LYS 72 6.847 -7.111 9.936 489 1HG LYS 72 HG2 LYS 72 6.836 -8.521 11.675 490 2HG LYS 72 HG1 LYS 72 5.098 -8.566 11.377 491 1HD LYS 72 HD2 LYS 72 5.155 -10.701 10.679 492 2HD LYS 72 HD1 LYS 72 6.641 -10.461 9.759 493 1HE LYS 72 HE2 LYS 72 6.447 -10.849 12.747 494 2HE LYS 72 HE1 LYS 72 6.960 -12.066 11.580 495 1HZ LYS 72 HZ1 LYS 72 8.999 -11.309 12.047 496 2HZ LYS 72 HZ2 LYS 72 8.437 -9.856 12.706 497 3HZ LYS 72 HZ3 LYS 72 8.615 -10.010 11.031 498 H HIS 73 HN HIS 73 5.136 -5.215 10.006 499 HA HIS 73 HA HIS 73 4.566 -3.591 7.828 500 1HB HIS 73 HB2 HIS 73 4.758 -2.900 10.263 501 2HB HIS 73 HB1 HIS 73 6.500 -2.841 10.025 502 HD1 HIS 73 HD1 HIS 73 6.944 -0.388 10.142 503 HD2 HIS 73 HD2 HIS 73 3.808 -1.297 7.571 504 HE1 HIS 73 HE1 HIS 73 6.348 1.779 9.017 505 HE2 HIS 73 HE2 HIS 73 4.379 1.226 7.547 506 H LYS 74 HN LYS 74 7.784 -4.589 9.020 507 HA LYS 74 HA LYS 74 9.221 -3.306 6.932 508 1HB LYS 74 HB2 LYS 74 9.848 -5.123 9.161 509 2HB LYS 74 HB1 LYS 74 10.902 -5.299 7.766 510 1HG LYS 74 HG2 LYS 74 11.371 -2.874 7.859 511 2HG LYS 74 HG1 LYS 74 10.392 -2.773 9.324 512 1HD LYS 74 HD2 LYS 74 12.449 -4.860 9.397 513 2HD LYS 74 HD1 LYS 74 13.088 -3.221 9.255 514 1HE LYS 74 HE2 LYS 74 11.674 -2.570 11.196 515 2HE LYS 74 HE1 LYS 74 11.212 -4.262 11.374 516 1HZ LYS 74 HZ1 LYS 74 13.250 -3.184 12.667 517 2HZ LYS 74 HZ2 LYS 74 14.069 -3.698 11.280 518 3HZ LYS 74 HZ3 LYS 74 13.215 -4.814 12.221 519 H GLU 75 HN GLU 75 8.094 -6.638 7.409 520 HA GLU 75 HA GLU 75 9.287 -7.742 5.110 521 1HB GLU 75 HB2 GLU 75 7.595 -8.643 7.186 522 2HB GLU 75 HB1 GLU 75 6.776 -9.021 5.678 523 1HG GLU 75 HG2 GLU 75 9.606 -9.697 5.635 524 2HG GLU 75 HG1 GLU 75 8.705 -10.539 6.895 525 H ALA 76 HN ALA 76 6.190 -6.120 5.614 526 HA ALA 76 HA ALA 76 5.043 -6.696 3.106 527 1HB ALA 76 HB1 ALA 76 3.613 -5.905 4.821 528 2HB ALA 76 HB2 ALA 76 3.637 -4.656 3.576 529 3HB ALA 76 HB3 ALA 76 4.579 -4.448 5.053 530 H VAL 77 HN VAL 77 7.362 -4.262 4.122 531 HA VAL 77 HA VAL 77 7.128 -2.500 1.940 532 HB VAL 77 HB VAL 77 9.682 -3.096 3.446 533 1HG1 VAL 77 HG11 VAL 77 8.795 -1.002 1.553 534 2HG1 VAL 77 HG12 VAL 77 10.397 -1.694 1.812 535 3HG1 VAL 77 HG13 VAL 77 9.772 -0.475 2.923 536 1HG2 VAL 77 HG21 VAL 77 7.224 -1.665 4.265 537 2HG2 VAL 77 HG22 VAL 77 8.759 -0.892 4.657 538 3HG2 VAL 77 HG23 VAL 77 8.418 -2.520 5.239 539 H THR 78 HN THR 78 9.079 -5.418 2.413 540 HA THR 78 HA THR 78 10.464 -5.224 -0.066 541 HB THR 78 HB THR 78 9.949 -7.723 1.558 542 HG1 THR 78 HG1 THR 78 11.936 -5.726 1.870 543 1HG2 THR 78 HG21 THR 78 12.409 -7.103 -0.030 544 2HG2 THR 78 HG22 THR 78 11.018 -7.916 -0.747 545 3HG2 THR 78 HG23 THR 78 11.861 -8.651 0.616 546 H ILE 79 HN ILE 79 7.507 -6.870 0.987 547 HA ILE 79 HA ILE 79 7.061 -8.310 -1.409 548 HB ILE 79 HB ILE 79 4.943 -7.347 0.528 549 1HG1 ILE 79 HG12 ILE 79 6.141 -10.094 0.602 550 2HG1 ILE 79 HG11 ILE 79 6.982 -8.769 1.398 551 1HG2 ILE 79 HG21 ILE 79 4.644 -9.918 -0.868 552 2HG2 ILE 79 HG22 ILE 79 4.580 -8.493 -1.904 553 3HG2 ILE 79 HG23 ILE 79 3.458 -8.651 -0.552 554 1HD1 ILE 79 HD11 ILE 79 5.055 -10.334 2.522 555 2HD1 ILE 79 HD12 ILE 79 4.147 -8.898 2.051 556 3HD1 ILE 79 HD13 ILE 79 5.554 -8.746 3.103 557 H LEU 80 HN LEU 80 5.764 -5.161 -0.288 558 HA LEU 80 HA LEU 80 4.226 -4.691 -2.603 559 1HB LEU 80 HB2 LEU 80 4.185 -2.330 -1.912 560 2HB LEU 80 HB1 LEU 80 3.778 -3.432 -0.613 561 HG LEU 80 HG LEU 80 6.309 -3.156 0.030 562 1HD1 LEU 80 HD11 LEU 80 6.479 -0.456 -0.570 563 2HD1 LEU 80 HD12 LEU 80 5.976 -1.207 -2.083 564 3HD1 LEU 80 HD13 LEU 80 7.442 -1.755 -1.271 565 1HD2 LEU 80 HD21 LEU 80 3.951 -1.445 0.575 566 2HD2 LEU 80 HD22 LEU 80 5.517 -0.883 1.157 567 3HD2 LEU 80 HD23 LEU 80 4.898 -2.452 1.668 568 H SER 81 HN SER 81 7.601 -4.003 -1.854 569 HA SER 81 HA SER 81 8.052 -2.436 -4.205 570 1HB SER 81 HB2 SER 81 10.391 -2.490 -3.594 571 2HB SER 81 HB1 SER 81 9.425 -2.216 -2.145 572 HG SER 81 HG SER 81 11.171 -3.853 -2.044 573 H GLN 82 HN GLN 82 7.801 -5.815 -3.669 574 HA GLN 82 HA GLN 82 9.605 -6.692 -5.698 575 1HB GLN 82 HB2 GLN 82 7.307 -8.024 -4.274 576 2HB GLN 82 HB1 GLN 82 8.211 -8.834 -5.545 577 1HG GLN 82 HG2 GLN 82 9.981 -7.681 -3.586 578 2HG GLN 82 HG1 GLN 82 8.808 -8.760 -2.833 579 1HE2 GLN 82 HE21 GLN 82 11.759 -8.940 -3.390 580 2HE2 GLN 82 HE22 GLN 82 11.954 -10.464 -4.177 581 H GLN 83 HN GLN 83 6.279 -5.655 -5.646 582 HA GLN 83 HA GLN 83 5.502 -6.682 -8.165 583 1HB GLN 83 HB2 GLN 83 4.461 -4.520 -6.358 584 2HB GLN 83 HB1 GLN 83 3.749 -4.785 -7.944 585 1HG GLN 83 HG2 GLN 83 2.419 -5.999 -6.463 586 2HG GLN 83 HG1 GLN 83 3.443 -7.204 -7.235 587 1HE2 GLN 83 HE21 GLN 83 5.027 -8.243 -6.016 588 2HE2 GLN 83 HE22 GLN 83 5.059 -8.166 -4.293 589 H ARG 84 HN ARG 84 6.280 -6.124 -10.079 590 HA ARG 84 HA ARG 84 7.412 -3.433 -10.445 591 1HB ARG 84 HB2 ARG 84 8.043 -6.116 -11.568 592 2HB ARG 84 HB1 ARG 84 8.315 -4.716 -12.597 593 1HG ARG 84 HG2 ARG 84 9.689 -3.745 -10.723 594 2HG ARG 84 HG1 ARG 84 9.569 -5.317 -9.932 595 1HD ARG 84 HD2 ARG 84 11.635 -5.268 -11.118 596 2HD ARG 84 HD1 ARG 84 10.544 -6.337 -11.999 597 HE ARG 84 HE ARG 84 10.414 -3.693 -13.022 598 1HH1 ARG 84 HH11 ARG 84 12.451 -6.541 -13.015 599 2HH1 ARG 84 HH12 ARG 84 13.163 -6.186 -14.553 600 1HH2 ARG 84 HH21 ARG 84 11.357 -3.233 -15.052 601 2HH2 ARG 84 HH22 ARG 84 12.543 -4.310 -15.708 602 H GLY 85 HN GLY 85 6.899 -2.192 -12.251 603 1HA GLY 85 HA2 GLY 85 5.564 -1.335 -13.905 604 2HA GLY 85 HA1 GLY 85 5.267 -2.997 -14.391 605 H GLU 86 HN GLU 86 3.361 -3.976 -13.857 606 HA GLU 86 HA GLU 86 1.238 -2.228 -12.965 607 1HB GLU 86 HB2 GLU 86 1.098 -3.979 -14.852 608 2HB GLU 86 HB1 GLU 86 0.963 -5.169 -13.565 609 1HG GLU 86 HG2 GLU 86 -1.000 -3.830 -12.706 610 2HG GLU 86 HG1 GLU 86 -0.929 -2.933 -14.222 611 H ILE 87 HN ILE 87 0.835 -1.944 -10.876 612 HA ILE 87 HA ILE 87 1.250 -4.218 -9.045 613 HB ILE 87 HB ILE 87 1.396 -1.319 -8.227 614 1HG1 ILE 87 HG12 ILE 87 3.694 -3.163 -8.934 615 2HG1 ILE 87 HG11 ILE 87 3.172 -1.769 -9.874 616 1HG2 ILE 87 HG21 ILE 87 2.181 -3.904 -6.900 617 2HG2 ILE 87 HG22 ILE 87 0.943 -2.758 -6.389 618 3HG2 ILE 87 HG23 ILE 87 2.647 -2.315 -6.296 619 1HD1 ILE 87 HD11 ILE 87 5.058 -1.849 -7.803 620 2HD1 ILE 87 HD12 ILE 87 3.669 -0.958 -7.183 621 3HD1 ILE 87 HD13 ILE 87 4.457 -0.438 -8.672 622 H GLU 88 HN GLU 88 -0.536 -4.966 -8.134 623 HA GLU 88 HA GLU 88 -2.943 -3.289 -8.131 624 1HB GLU 88 HB2 GLU 88 -2.548 -5.940 -8.859 625 2HB GLU 88 HB1 GLU 88 -3.292 -6.056 -7.271 626 1HG GLU 88 HG2 GLU 88 -4.837 -4.166 -8.520 627 2HG GLU 88 HG1 GLU 88 -4.444 -5.280 -9.828 628 H PHE 89 HN PHE 89 -3.594 -2.377 -6.288 629 HA PHE 89 HA PHE 89 -2.737 -3.610 -3.752 630 1HB PHE 89 HB2 PHE 89 -2.312 -0.919 -4.746 631 2HB PHE 89 HB1 PHE 89 -3.207 -0.897 -3.231 632 HD1 PHE 89 HD1 PHE 89 -2.050 -0.980 -1.239 633 HD2 PHE 89 HD2 PHE 89 -0.180 -2.425 -4.779 634 HE1 PHE 89 HE1 PHE 89 0.049 -1.300 0.004 635 HE2 PHE 89 HE2 PHE 89 1.921 -2.748 -3.541 636 HZ PHE 89 HZ PHE 89 2.037 -2.185 -1.146 637 H GLU 90 HN GLU 90 -4.304 -4.098 -2.359 638 HA GLU 90 HA GLU 90 -6.996 -3.020 -2.881 639 1HB GLU 90 HB2 GLU 90 -6.069 -5.687 -1.828 640 2HB GLU 90 HB1 GLU 90 -7.708 -5.114 -1.546 641 1HG GLU 90 HG2 GLU 90 -8.338 -5.429 -3.692 642 2HG GLU 90 HG1 GLU 90 -6.751 -5.012 -4.335 643 H VAL 91 HN VAL 91 -7.566 -1.516 -1.479 644 HA VAL 91 HA VAL 91 -6.849 -1.853 1.353 645 HB VAL 91 HB VAL 91 -6.506 0.617 1.513 646 1HG1 VAL 91 HG11 VAL 91 -4.319 0.382 -0.114 647 2HG1 VAL 91 HG12 VAL 91 -4.729 -1.303 0.208 648 3HG1 VAL 91 HG13 VAL 91 -4.421 -0.198 1.548 649 1HG2 VAL 91 HG21 VAL 91 -6.553 0.460 -1.499 650 2HG2 VAL 91 HG22 VAL 91 -6.020 1.857 -0.564 651 3HG2 VAL 91 HG23 VAL 91 -7.697 1.321 -0.470 652 H VAL 92 HN VAL 92 -8.128 -0.296 2.763 653 HA VAL 92 HA VAL 92 -10.784 0.310 1.684 654 HB VAL 92 HB VAL 92 -11.843 -0.644 3.745 655 1HG1 VAL 92 HG11 VAL 92 -12.240 -2.611 2.699 656 2HG1 VAL 92 HG12 VAL 92 -10.528 -2.959 2.462 657 3HG1 VAL 92 HG13 VAL 92 -11.354 -1.826 1.392 658 1HG2 VAL 92 HG21 VAL 92 -10.714 -1.981 5.255 659 2HG2 VAL 92 HG22 VAL 92 -9.517 -0.730 4.921 660 3HG2 VAL 92 HG23 VAL 92 -9.388 -2.304 4.138 661 H TYR 93 HN TYR 93 -11.777 2.079 2.608 662 HA TYR 93 HA TYR 93 -10.136 3.944 3.969 663 1HB TYR 93 HB2 TYR 93 -12.324 4.227 2.461 664 2HB TYR 93 HB1 TYR 93 -13.099 4.272 4.040 665 HD1 TYR 93 HD1 TYR 93 -11.040 5.722 5.627 666 HD2 TYR 93 HD2 TYR 93 -12.495 6.421 1.688 667 HE1 TYR 93 HE1 TYR 93 -10.453 8.097 5.838 668 HE2 TYR 93 HE2 TYR 93 -11.911 8.799 1.890 669 HH TYR 93 HH TYR 93 -9.878 10.008 4.183 670 H VAL 94 HN VAL 94 -9.572 3.897 6.041 671 HA VAL 94 HA VAL 94 -11.365 2.597 7.971 672 HB VAL 94 HB VAL 94 -9.117 1.643 7.839 673 1HG1 VAL 94 HG11 VAL 94 -7.461 3.060 7.339 674 2HG1 VAL 94 HG12 VAL 94 -7.404 3.378 9.073 675 3HG1 VAL 94 HG13 VAL 94 -8.314 4.449 8.010 676 1HG2 VAL 94 HG21 VAL 94 -10.480 1.928 10.025 677 2HG2 VAL 94 HG22 VAL 94 -9.212 3.073 10.463 678 3HG2 VAL 94 HG23 VAL 94 -8.802 1.394 10.114 679 H ALA 95 HN ALA 95 -12.104 3.628 9.766 680 HA ALA 95 HA ALA 95 -11.095 6.117 10.708 681 1HB ALA 95 HB1 ALA 95 -12.264 6.880 8.658 682 2HB ALA 95 HB2 ALA 95 -12.933 7.565 10.138 683 3HB ALA 95 HB3 ALA 95 -13.770 6.246 9.320 Start of MODEL 11 1 HT1 PRO 9 HT2 PRO 9 -17.035 -1.974 2.518 2 HT2 PRO 9 HT1 PRO 9 -15.453 -2.401 2.641 3 HA PRO 9 HA PRO 9 -16.492 -0.376 1.356 4 1HB PRO 9 HB2 PRO 9 -14.832 1.116 3.227 5 2HB PRO 9 HB1 PRO 9 -16.455 1.483 2.628 6 1HG PRO 9 HG2 PRO 9 -15.970 0.699 5.182 7 2HG PRO 9 HG1 PRO 9 -17.485 0.349 4.332 8 1HD PRO 9 HD2 PRO 9 -15.116 -1.439 4.797 9 2HD PRO 9 HD1 PRO 9 -16.845 -1.808 4.943 10 H ILE 10 HN ILE 10 -14.849 -2.386 0.695 11 HA ILE 10 HA ILE 10 -12.095 -1.422 0.709 12 HB ILE 10 HB ILE 10 -12.507 -3.806 1.178 13 1HG1 ILE 10 HG12 ILE 10 -11.121 -4.152 -1.358 14 2HG1 ILE 10 HG11 ILE 10 -10.583 -2.705 -0.513 15 1HG2 ILE 10 HG21 ILE 10 -14.466 -4.176 -0.190 16 2HG2 ILE 10 HG22 ILE 10 -13.197 -5.314 -0.640 17 3HG2 ILE 10 HG23 ILE 10 -13.524 -3.912 -1.657 18 1HD1 ILE 10 HD11 ILE 10 -9.854 -3.927 1.342 19 2HD1 ILE 10 HD12 ILE 10 -9.323 -4.855 -0.061 20 3HD1 ILE 10 HD13 ILE 10 -10.743 -5.367 0.849 21 H ARG 11 HN ARG 11 -11.020 -0.653 -1.042 22 HA ARG 11 HA ARG 11 -12.497 -0.529 -3.593 23 1HB ARG 11 HB2 ARG 11 -12.194 1.653 -2.160 24 2HB ARG 11 HB1 ARG 11 -10.562 1.623 -2.814 25 1HG ARG 11 HG2 ARG 11 -11.532 1.568 -5.097 26 2HG ARG 11 HG1 ARG 11 -13.132 1.750 -4.376 27 1HD ARG 11 HD2 ARG 11 -12.100 3.832 -3.227 28 2HD ARG 11 HD1 ARG 11 -10.866 3.702 -4.480 29 HE ARG 11 HE ARG 11 -13.554 3.659 -5.500 30 1HH1 ARG 11 HH11 ARG 11 -10.908 5.742 -4.532 31 2HH1 ARG 11 HH12 ARG 11 -11.433 7.067 -5.515 32 1HH2 ARG 11 HH21 ARG 11 -14.240 5.410 -6.786 33 2HH2 ARG 11 HH22 ARG 11 -13.324 6.879 -6.793 34 H LYS 12 HN LYS 12 -11.290 -0.667 -5.502 35 HA LYS 12 HA LYS 12 -8.644 -1.892 -5.156 36 1HB LYS 12 HB2 LYS 12 -10.264 -1.881 -7.700 37 2HB LYS 12 HB1 LYS 12 -8.951 -2.958 -7.251 38 1HG LYS 12 HG2 LYS 12 -11.667 -2.895 -5.950 39 2HG LYS 12 HG1 LYS 12 -11.140 -4.056 -7.170 40 1HD LYS 12 HD2 LYS 12 -9.667 -3.677 -4.575 41 2HD LYS 12 HD1 LYS 12 -11.022 -4.796 -4.730 42 1HE LYS 12 HE2 LYS 12 -9.346 -6.246 -5.223 43 2HE LYS 12 HE1 LYS 12 -9.604 -5.594 -6.839 44 1HZ LYS 12 HZ1 LYS 12 -7.478 -5.014 -6.836 45 2HZ LYS 12 HZ2 LYS 12 -7.287 -5.461 -5.216 46 3HZ LYS 12 HZ3 LYS 12 -7.798 -3.897 -5.605 47 H VAL 13 HN VAL 13 -6.909 -0.678 -5.539 48 HA VAL 13 HA VAL 13 -7.130 1.509 -7.509 49 HB VAL 13 HB VAL 13 -5.322 1.543 -5.088 50 1HG1 VAL 13 HG11 VAL 13 -4.528 3.507 -5.826 51 2HG1 VAL 13 HG12 VAL 13 -6.111 4.055 -6.376 52 3HG1 VAL 13 HG13 VAL 13 -5.144 2.989 -7.395 53 1HG2 VAL 13 HG21 VAL 13 -6.856 2.954 -3.968 54 2HG2 VAL 13 HG22 VAL 13 -7.792 1.574 -4.539 55 3HG2 VAL 13 HG23 VAL 13 -7.872 3.112 -5.399 56 H LEU 14 HN LEU 14 -5.714 1.486 -9.141 57 HA LEU 14 HA LEU 14 -3.535 -0.485 -9.070 58 1HB LEU 14 HB2 LEU 14 -5.458 0.129 -11.006 59 2HB LEU 14 HB1 LEU 14 -3.967 0.806 -11.632 60 HG LEU 14 HG LEU 14 -2.892 -1.429 -11.344 61 1HD1 LEU 14 HD11 LEU 14 -4.683 -3.321 -11.239 62 2HD1 LEU 14 HD12 LEU 14 -5.640 -2.103 -10.395 63 3HD1 LEU 14 HD13 LEU 14 -4.074 -2.595 -9.751 64 1HD2 LEU 14 HD21 LEU 14 -5.215 -0.963 -13.163 65 2HD2 LEU 14 HD22 LEU 14 -4.377 -2.515 -13.191 66 3HD2 LEU 14 HD23 LEU 14 -3.492 -1.028 -13.533 67 H LEU 15 HN LEU 15 -1.532 0.226 -8.721 68 HA LEU 15 HA LEU 15 -0.916 3.046 -9.298 69 1HB LEU 15 HB2 LEU 15 -0.085 1.161 -7.169 70 2HB LEU 15 HB1 LEU 15 1.146 2.267 -7.749 71 HG LEU 15 HG LEU 15 -0.588 4.124 -7.306 72 1HD1 LEU 15 HD11 LEU 15 -1.729 2.417 -5.195 73 2HD1 LEU 15 HD12 LEU 15 -2.285 2.083 -6.835 74 3HD1 LEU 15 HD13 LEU 15 -2.472 3.698 -6.153 75 1HD2 LEU 15 HD21 LEU 15 1.498 3.214 -5.890 76 2HD2 LEU 15 HD22 LEU 15 0.208 2.933 -4.721 77 3HD2 LEU 15 HD23 LEU 15 0.482 4.554 -5.360 78 H LEU 16 HN LEU 16 0.339 3.459 -10.978 79 HA LEU 16 HA LEU 16 2.083 1.324 -12.010 80 1HB LEU 16 HB2 LEU 16 0.291 2.181 -13.520 81 2HB LEU 16 HB1 LEU 16 1.043 3.764 -13.456 82 HG LEU 16 HG LEU 16 3.067 2.845 -14.515 83 1HD1 LEU 16 HD11 LEU 16 3.067 0.586 -13.808 84 2HD1 LEU 16 HD12 LEU 16 2.866 0.565 -15.560 85 3HD1 LEU 16 HD13 LEU 16 1.476 0.292 -14.508 86 1HD2 LEU 16 HD21 LEU 16 0.731 2.036 -16.205 87 2HD2 LEU 16 HD22 LEU 16 2.222 2.848 -16.680 88 3HD2 LEU 16 HD23 LEU 16 0.992 3.725 -15.770 89 H LYS 17 HN LYS 17 4.154 1.555 -11.497 90 HA LYS 17 HA LYS 17 5.354 4.231 -11.617 91 1HB LYS 17 HB2 LYS 17 6.707 3.668 -9.578 92 2HB LYS 17 HB1 LYS 17 4.995 3.927 -9.276 93 1HG LYS 17 HG2 LYS 17 4.958 1.988 -8.210 94 2HG LYS 17 HG1 LYS 17 5.252 1.186 -9.753 95 1HD LYS 17 HD2 LYS 17 7.195 0.466 -8.945 96 2HD LYS 17 HD1 LYS 17 7.748 2.142 -8.903 97 1HE LYS 17 HE2 LYS 17 7.326 2.369 -6.659 98 2HE LYS 17 HE1 LYS 17 6.060 1.144 -6.661 99 1HZ LYS 17 HZ1 LYS 17 8.937 0.842 -6.343 100 2HZ LYS 17 HZ2 LYS 17 8.161 -0.360 -7.246 101 3HZ LYS 17 HZ3 LYS 17 7.672 -0.048 -5.657 102 H GLU 18 HN GLU 18 7.526 4.298 -12.201 103 HA GLU 18 HA GLU 18 8.455 1.964 -13.657 104 1HB GLU 18 HB2 GLU 18 9.450 4.807 -13.459 105 2HB GLU 18 HB1 GLU 18 10.310 3.560 -14.353 106 1HG GLU 18 HG2 GLU 18 8.169 3.216 -15.659 107 2HG GLU 18 HG1 GLU 18 7.593 4.705 -14.911 108 H ASP 19 HN ASP 19 10.932 1.581 -13.563 109 HA ASP 19 HA ASP 19 11.582 0.555 -11.040 110 1HB ASP 19 HB2 ASP 19 13.054 0.964 -13.595 111 2HB ASP 19 HB1 ASP 19 14.019 0.677 -12.151 112 H HIS 20 HN HIS 20 12.446 3.619 -12.573 113 HA HIS 20 HA HIS 20 14.250 4.425 -10.504 114 1HB HIS 20 HB2 HIS 20 14.308 6.568 -11.628 115 2HB HIS 20 HB1 HIS 20 14.387 5.287 -12.828 116 HD1 HIS 20 HD1 HIS 20 12.461 8.248 -11.854 117 HD2 HIS 20 HD2 HIS 20 11.922 4.944 -14.316 118 HE1 HIS 20 HE1 HIS 20 10.523 8.831 -13.346 119 HE2 HIS 20 HE2 HIS 20 10.131 6.764 -14.732 120 H GLU 21 HN GLU 21 10.809 4.728 -11.043 121 HA GLU 21 HA GLU 21 10.300 6.821 -9.202 122 1HB GLU 21 HB2 GLU 21 8.580 4.682 -10.436 123 2HB GLU 21 HB1 GLU 21 7.934 5.812 -9.255 124 1HG GLU 21 HG2 GLU 21 9.140 7.513 -10.982 125 2HG GLU 21 HG1 GLU 21 8.646 6.218 -12.071 126 H GLY 22 HN GLY 22 9.285 6.694 -7.125 127 1HA GLY 22 HA2 GLY 22 10.187 4.347 -5.599 128 2HA GLY 22 HA1 GLY 22 9.875 5.941 -4.932 129 H LEU 23 HN LEU 23 8.607 4.876 -3.304 130 HA LEU 23 HA LEU 23 6.314 3.322 -3.908 131 1HB LEU 23 HB2 LEU 23 7.718 3.958 -1.623 132 2HB LEU 23 HB1 LEU 23 6.200 4.799 -1.383 133 HG LEU 23 HG LEU 23 6.069 1.949 -2.226 134 1HD1 LEU 23 HD11 LEU 23 6.090 1.588 0.415 135 2HD1 LEU 23 HD12 LEU 23 7.253 2.909 0.310 136 3HD1 LEU 23 HD13 LEU 23 7.533 1.414 -0.583 137 1HD2 LEU 23 HD21 LEU 23 4.210 2.095 -0.453 138 2HD2 LEU 23 HD22 LEU 23 3.976 2.940 -1.983 139 3HD2 LEU 23 HD23 LEU 23 4.461 3.838 -0.545 140 H GLY 24 HN GLY 24 6.464 6.659 -2.598 141 1HA GLY 24 HA2 GLY 24 5.223 8.456 -3.620 142 2HA GLY 24 HA1 GLY 24 4.054 7.275 -4.182 143 H ILE 25 HN ILE 25 4.218 6.014 -1.370 144 HA ILE 25 HA ILE 25 2.792 8.066 0.162 145 HB ILE 25 HB ILE 25 1.095 6.290 0.824 146 1HG1 ILE 25 HG12 ILE 25 1.041 4.866 -1.622 147 2HG1 ILE 25 HG11 ILE 25 2.690 4.759 -1.017 148 1HG2 ILE 25 HG21 ILE 25 0.032 7.854 -0.398 149 2HG2 ILE 25 HG22 ILE 25 -0.020 6.574 -1.607 150 3HG2 ILE 25 HG23 ILE 25 1.229 7.815 -1.693 151 1HD1 ILE 25 HD11 ILE 25 2.087 3.223 0.447 152 2HD1 ILE 25 HD12 ILE 25 0.462 3.254 -0.237 153 3HD1 ILE 25 HD13 ILE 25 0.865 4.295 1.128 154 H SER 26 HN SER 26 2.708 7.690 2.424 155 HA SER 26 HA SER 26 4.776 5.822 3.367 156 1HB SER 26 HB2 SER 26 4.535 8.517 3.831 157 2HB SER 26 HB1 SER 26 3.792 7.830 5.277 158 HG SER 26 HG SER 26 5.692 7.219 5.931 159 H ILE 27 HN ILE 27 4.340 4.280 4.858 160 HA ILE 27 HA ILE 27 1.557 4.087 5.824 161 HB ILE 27 HB ILE 27 1.975 1.588 5.898 162 1HG1 ILE 27 HG12 ILE 27 4.177 2.190 3.923 163 2HG1 ILE 27 HG11 ILE 27 4.500 1.895 5.628 164 1HG2 ILE 27 HG21 ILE 27 1.858 3.068 3.281 165 2HG2 ILE 27 HG22 ILE 27 0.515 2.451 4.243 166 3HG2 ILE 27 HG23 ILE 27 1.599 1.329 3.423 167 1HD1 ILE 27 HD11 ILE 27 4.212 -0.312 5.420 168 2HD1 ILE 27 HD12 ILE 27 4.476 -0.004 3.704 169 3HD1 ILE 27 HD13 ILE 27 2.834 -0.136 4.334 170 H THR 28 HN THR 28 1.245 2.957 7.863 171 HA THR 28 HA THR 28 3.589 2.736 9.584 172 HB THR 28 HB THR 28 2.915 5.030 9.946 173 HG1 THR 28 HG1 THR 28 3.534 3.997 11.818 174 1HG2 THR 28 HG21 THR 28 0.214 3.958 9.847 175 2HG2 THR 28 HG22 THR 28 0.798 5.602 9.592 176 3HG2 THR 28 HG23 THR 28 0.491 5.022 11.227 177 H GLY 29 HN GLY 29 3.284 1.443 11.440 178 1HA GLY 29 HA2 GLY 29 1.642 0.270 12.887 179 2HA GLY 29 HA1 GLY 29 0.797 -0.162 11.408 180 H GLY 30 HN GLY 30 0.996 -2.390 12.149 181 1HA GLY 30 HA2 GLY 30 2.813 -3.926 10.831 182 2HA GLY 30 HA1 GLY 30 3.629 -3.564 12.343 183 H LYS 31 HN LYS 31 1.927 -5.870 10.847 184 HA LYS 31 HA LYS 31 -0.067 -6.705 12.602 185 1HB LYS 31 HB2 LYS 31 0.574 -7.615 10.278 186 2HB LYS 31 HB1 LYS 31 1.713 -8.639 11.139 187 1HG LYS 31 HG2 LYS 31 -0.182 -9.966 10.847 188 2HG LYS 31 HG1 LYS 31 -0.279 -9.418 12.522 189 1HD LYS 31 HD2 LYS 31 -1.783 -7.567 11.715 190 2HD LYS 31 HD1 LYS 31 -1.813 -8.375 10.147 191 1HE LYS 31 HE2 LYS 31 -3.666 -9.328 11.048 192 2HE LYS 31 HE1 LYS 31 -2.462 -10.455 11.669 193 1HZ LYS 31 HZ1 LYS 31 -4.248 -9.311 13.220 194 2HZ LYS 31 HZ2 LYS 31 -3.062 -8.109 13.305 195 3HZ LYS 31 HZ3 LYS 31 -2.696 -9.692 13.775 196 H GLU 32 HN GLU 32 3.426 -7.264 12.726 197 HA GLU 32 HA GLU 32 3.365 -9.141 14.858 198 1HB GLU 32 HB2 GLU 32 5.290 -8.417 13.164 199 2HB GLU 32 HB1 GLU 32 5.729 -7.358 14.497 200 1HG GLU 32 HG2 GLU 32 5.829 -9.324 15.983 201 2HG GLU 32 HG1 GLU 32 5.482 -10.357 14.600 202 H HIS 33 HN HIS 33 3.371 -5.642 14.712 203 HA HIS 33 HA HIS 33 3.974 -5.253 17.491 204 1HB HIS 33 HB2 HIS 33 4.541 -3.533 15.861 205 2HB HIS 33 HB1 HIS 33 2.849 -3.365 15.407 206 HD1 HIS 33 HD1 HIS 33 5.179 -2.685 18.308 207 HD2 HIS 33 HD2 HIS 33 1.396 -1.628 16.952 208 HE1 HIS 33 HE1 HIS 33 4.420 -0.823 19.819 209 HE2 HIS 33 HE2 HIS 33 2.142 -0.174 18.957 210 H GLY 34 HN GLY 34 1.070 -5.654 15.573 211 1HA GLY 34 HA2 GLY 34 -0.867 -6.578 16.757 212 2HA GLY 34 HA1 GLY 34 -0.530 -5.442 18.051 213 H VAL 35 HN VAL 35 -0.219 -4.319 14.781 214 HA VAL 35 HA VAL 35 -2.932 -3.288 14.699 215 HB VAL 35 HB VAL 35 -1.745 -1.591 16.013 216 1HG1 VAL 35 HG11 VAL 35 0.498 -2.103 14.922 217 2HG1 VAL 35 HG12 VAL 35 0.138 -0.411 15.267 218 3HG1 VAL 35 HG13 VAL 35 -0.019 -1.028 13.622 219 1HG2 VAL 35 HG21 VAL 35 -2.923 -1.038 13.374 220 2HG2 VAL 35 HG22 VAL 35 -1.999 0.287 14.080 221 3HG2 VAL 35 HG23 VAL 35 -3.352 -0.413 14.966 222 HA PRO 36 HA PRO 36 -2.186 -4.240 10.403 223 1HB PRO 36 HB2 PRO 36 -4.500 -2.462 9.898 224 2HB PRO 36 HB1 PRO 36 -4.275 -4.163 9.480 225 1HG PRO 36 HG2 PRO 36 -5.932 -3.436 11.448 226 2HG PRO 36 HG1 PRO 36 -4.947 -4.905 11.569 227 1HD PRO 36 HD2 PRO 36 -4.519 -2.225 12.834 228 2HD PRO 36 HD1 PRO 36 -4.293 -3.847 13.525 229 H ILE 37 HN ILE 37 -1.456 -3.211 8.489 230 HA ILE 37 HA ILE 37 -0.267 -0.614 8.938 231 HB ILE 37 HB ILE 37 -0.154 -2.252 6.402 232 1HG1 ILE 37 HG12 ILE 37 1.968 -2.280 8.538 233 2HG1 ILE 37 HG11 ILE 37 0.628 -3.418 8.588 234 1HG2 ILE 37 HG21 ILE 37 1.668 -0.938 5.783 235 2HG2 ILE 37 HG22 ILE 37 1.923 -0.347 7.425 236 3HG2 ILE 37 HG23 ILE 37 0.540 0.220 6.487 237 1HD1 ILE 37 HD11 ILE 37 1.298 -4.061 6.223 238 2HD1 ILE 37 HD12 ILE 37 2.368 -4.561 7.533 239 3HD1 ILE 37 HD13 ILE 37 2.790 -3.173 6.531 240 H LEU 38 HN LEU 38 -0.853 1.298 8.013 241 HA LEU 38 HA LEU 38 -2.944 1.290 5.965 242 1HB LEU 38 HB2 LEU 38 -4.286 2.919 7.139 243 2HB LEU 38 HB1 LEU 38 -4.095 1.479 8.119 244 HG LEU 38 HG LEU 38 -2.057 3.455 8.732 245 1HD1 LEU 38 HD11 LEU 38 -3.993 4.913 7.975 246 2HD1 LEU 38 HD12 LEU 38 -3.373 5.196 9.602 247 3HD1 LEU 38 HD13 LEU 38 -4.869 4.291 9.374 248 1HD2 LEU 38 HD21 LEU 38 -4.188 2.002 10.285 249 2HD2 LEU 38 HD22 LEU 38 -3.011 3.088 11.024 250 3HD2 LEU 38 HD23 LEU 38 -2.467 1.627 10.198 251 H ILE 39 HN ILE 39 -3.287 3.451 4.985 252 HA ILE 39 HA ILE 39 -0.720 4.754 4.539 253 HB ILE 39 HB ILE 39 -3.308 5.547 3.222 254 1HG1 ILE 39 HG12 ILE 39 -3.120 3.113 2.968 255 2HG1 ILE 39 HG11 ILE 39 -2.847 3.930 1.433 256 1HG2 ILE 39 HG21 ILE 39 -1.913 6.326 1.450 257 2HG2 ILE 39 HG22 ILE 39 -0.489 5.570 2.162 258 3HG2 ILE 39 HG23 ILE 39 -1.252 6.941 2.966 259 1HD1 ILE 39 HD11 ILE 39 -0.330 3.645 2.648 260 2HD1 ILE 39 HD12 ILE 39 -0.957 2.812 1.225 261 3HD1 ILE 39 HD13 ILE 39 -1.164 2.102 2.826 262 H SER 40 HN SER 40 -0.129 6.589 5.483 263 HA SER 40 HA SER 40 -2.214 8.269 6.723 264 1HB SER 40 HB2 SER 40 -0.059 9.003 8.129 265 2HB SER 40 HB1 SER 40 -1.064 7.634 8.600 266 HG SER 40 HG SER 40 0.430 6.248 7.808 267 H GLU 41 HN GLU 41 1.008 8.335 5.201 268 HA GLU 41 HA GLU 41 0.513 11.147 4.467 269 1HB GLU 41 HB2 GLU 41 3.093 9.631 4.855 270 2HB GLU 41 HB1 GLU 41 3.017 11.217 4.101 271 1HG GLU 41 HG2 GLU 41 1.914 12.048 6.197 272 2HG GLU 41 HG1 GLU 41 2.295 10.488 6.925 273 H ILE 42 HN ILE 42 0.858 11.838 2.362 274 HA ILE 42 HA ILE 42 1.344 9.754 0.341 275 HB ILE 42 HB ILE 42 -0.740 11.922 0.039 276 1HG1 ILE 42 HG12 ILE 42 -1.420 9.016 0.359 277 2HG1 ILE 42 HG11 ILE 42 -1.152 10.006 1.789 278 1HG2 ILE 42 HG21 ILE 42 -0.491 9.428 -1.605 279 2HG2 ILE 42 HG22 ILE 42 0.443 10.874 -1.988 280 3HG2 ILE 42 HG23 ILE 42 -1.319 10.936 -1.989 281 1HD1 ILE 42 HD11 ILE 42 -2.993 11.355 1.347 282 2HD1 ILE 42 HD12 ILE 42 -3.542 9.729 0.942 283 3HD1 ILE 42 HD13 ILE 42 -3.076 10.846 -0.340 284 H HIS 43 HN HIS 43 3.159 10.313 -0.689 285 HA HIS 43 HA HIS 43 4.194 12.960 -0.713 286 1HB HIS 43 HB2 HIS 43 4.981 10.406 -2.093 287 2HB HIS 43 HB1 HIS 43 5.790 11.923 -2.468 288 HD1 HIS 43 HD1 HIS 43 7.046 13.092 -0.411 289 HD2 HIS 43 HD2 HIS 43 5.879 9.145 0.165 290 HE1 HIS 43 HE1 HIS 43 8.367 12.282 1.569 291 HE2 HIS 43 HE2 HIS 43 7.570 9.925 1.961 292 HA PRO 44 HA PRO 44 1.805 14.419 -4.189 293 1HB PRO 44 HB2 PRO 44 2.993 16.847 -4.420 294 2HB PRO 44 HB1 PRO 44 1.810 16.471 -3.161 295 1HG PRO 44 HG2 PRO 44 4.797 16.544 -2.996 296 2HG PRO 44 HG1 PRO 44 3.596 17.143 -1.838 297 1HD PRO 44 HD2 PRO 44 4.896 14.779 -1.528 298 2HD PRO 44 HD1 PRO 44 3.250 15.060 -0.927 299 H GLY 45 HN GLY 45 2.052 14.592 -6.394 300 1HA GLY 45 HA2 GLY 45 3.111 14.640 -8.452 301 2HA GLY 45 HA1 GLY 45 4.624 14.973 -7.626 302 H GLN 46 HN GLN 46 2.444 12.229 -7.158 303 HA GLN 46 HA GLN 46 4.393 10.437 -8.409 304 1HB GLN 46 HB2 GLN 46 4.027 10.714 -5.593 305 2HB GLN 46 HB1 GLN 46 3.384 9.149 -6.068 306 1HG GLN 46 HG2 GLN 46 5.514 8.503 -5.757 307 2HG GLN 46 HG1 GLN 46 5.699 9.093 -7.408 308 1HE2 GLN 46 HE21 GLN 46 5.640 10.493 -4.137 309 2HE2 GLN 46 HE22 GLN 46 7.055 11.461 -4.348 310 HA PRO 47 HA PRO 47 1.092 7.981 -10.036 311 1HB PRO 47 HB2 PRO 47 1.697 5.768 -8.125 312 2HB PRO 47 HB1 PRO 47 1.520 5.719 -9.883 313 1HG PRO 47 HG2 PRO 47 3.927 5.608 -8.776 314 2HG PRO 47 HG1 PRO 47 3.655 6.556 -10.251 315 1HD PRO 47 HD2 PRO 47 3.993 7.487 -7.433 316 2HD PRO 47 HD1 PRO 47 4.554 8.235 -8.943 317 H ALA 48 HN ALA 48 1.309 7.979 -6.506 318 HA ALA 48 HA ALA 48 -1.253 7.071 -5.881 319 1HB ALA 48 HB1 ALA 48 0.031 9.214 -4.239 320 2HB ALA 48 HB2 ALA 48 0.783 7.623 -4.349 321 3HB ALA 48 HB3 ALA 48 -0.858 7.781 -3.721 322 H ASP 49 HN ASP 49 -0.112 10.388 -6.495 323 HA ASP 49 HA ASP 49 -2.658 11.604 -6.084 324 1HB ASP 49 HB2 ASP 49 0.005 12.480 -7.056 325 2HB ASP 49 HB1 ASP 49 -1.369 13.418 -7.626 326 H ARG 50 HN ARG 50 -0.865 10.551 -8.955 327 HA ARG 50 HA ARG 50 -2.627 11.510 -10.907 328 1HB ARG 50 HB2 ARG 50 -0.836 9.076 -10.980 329 2HB ARG 50 HB1 ARG 50 -1.622 9.784 -12.385 330 1HG ARG 50 HG2 ARG 50 0.301 11.286 -10.626 331 2HG ARG 50 HG1 ARG 50 0.782 10.400 -12.074 332 1HD ARG 50 HD2 ARG 50 0.498 12.497 -12.952 333 2HD ARG 50 HD1 ARG 50 -1.118 11.832 -13.191 334 HE ARG 50 HE ARG 50 -1.182 13.040 -10.722 335 1HH1 ARG 50 HH11 ARG 50 -0.490 14.082 -13.993 336 2HH1 ARG 50 HH12 ARG 50 -1.068 15.693 -13.733 337 1HH2 ARG 50 HH21 ARG 50 -1.949 15.165 -10.389 338 2HH2 ARG 50 HH22 ARG 50 -1.895 16.307 -11.690 339 H CYS 51 HN CYS 51 -2.802 8.646 -8.879 340 HA CYS 51 HA CYS 51 -4.901 7.419 -10.428 341 1HB CYS 51 HB2 CYS 51 -3.743 6.814 -7.704 342 2HB CYS 51 HB1 CYS 51 -5.045 5.877 -8.429 343 HG CYS 51 HG CYS 51 -2.607 5.971 -10.221 344 H GLY 52 HN GLY 52 -4.700 9.627 -7.715 345 1HA GLY 52 HA2 GLY 52 -6.331 10.820 -6.621 346 2HA GLY 52 HA1 GLY 52 -7.423 10.361 -7.916 347 H GLY 53 HN GLY 53 -5.925 7.750 -6.249 348 1HA GLY 53 HA2 GLY 53 -8.449 7.252 -4.796 349 2HA GLY 53 HA1 GLY 53 -7.435 5.989 -5.476 350 H LEU 54 HN LEU 54 -4.939 7.268 -4.532 351 HA LEU 54 HA LEU 54 -4.819 6.021 -1.974 352 1HB LEU 54 HB2 LEU 54 -2.970 7.218 -3.859 353 2HB LEU 54 HB1 LEU 54 -2.581 7.687 -2.216 354 HG LEU 54 HG LEU 54 -1.343 5.690 -2.978 355 1HD1 LEU 54 HD11 LEU 54 -3.254 4.978 -0.769 356 2HD1 LEU 54 HD12 LEU 54 -1.934 6.132 -0.576 357 3HD1 LEU 54 HD13 LEU 54 -1.583 4.451 -0.978 358 1HD2 LEU 54 HD21 LEU 54 -2.872 4.624 -4.436 359 2HD2 LEU 54 HD22 LEU 54 -4.106 4.515 -3.182 360 3HD2 LEU 54 HD23 LEU 54 -2.645 3.534 -3.069 361 H HIS 55 HN HIS 55 -6.335 7.045 -0.650 362 HA HIS 55 HA HIS 55 -5.804 9.860 0.014 363 1HB HIS 55 HB2 HIS 55 -8.073 9.828 1.055 364 2HB HIS 55 HB1 HIS 55 -8.093 9.499 -0.673 365 HD1 HIS 55 HD1 HIS 55 -7.943 7.389 2.506 366 HD2 HIS 55 HD2 HIS 55 -9.744 7.434 -1.239 367 HE1 HIS 55 HE1 HIS 55 -9.386 5.337 2.428 368 HE2 HIS 55 HE2 HIS 55 -10.436 5.361 0.139 369 H VAL 56 HN VAL 56 -5.876 10.503 2.265 370 HA VAL 56 HA VAL 56 -4.296 8.846 3.918 371 HB VAL 56 HB VAL 56 -5.967 11.191 4.836 372 1HG1 VAL 56 HG11 VAL 56 -3.709 11.293 6.289 373 2HG1 VAL 56 HG12 VAL 56 -3.827 9.551 6.040 374 3HG1 VAL 56 HG13 VAL 56 -5.156 10.426 6.801 375 1HG2 VAL 56 HG21 VAL 56 -4.761 12.197 3.158 376 2HG2 VAL 56 HG22 VAL 56 -3.402 11.084 3.316 377 3HG2 VAL 56 HG23 VAL 56 -3.642 12.358 4.511 378 H GLY 57 HN GLY 57 -4.799 7.422 5.503 379 1HA GLY 57 HA2 GLY 57 -6.128 6.383 7.135 380 2HA GLY 57 HA1 GLY 57 -7.522 7.272 6.542 381 H ASP 58 HN ASP 58 -5.221 5.155 4.849 382 HA ASP 58 HA ASP 58 -7.507 3.503 3.999 383 1HB ASP 58 HB2 ASP 58 -5.421 4.765 2.503 384 2HB ASP 58 HB1 ASP 58 -5.244 3.022 2.339 385 H ALA 59 HN ALA 59 -7.579 1.482 4.778 386 HA ALA 59 HA ALA 59 -5.229 0.403 6.132 387 1HB ALA 59 HB1 ALA 59 -8.141 -0.170 6.210 388 2HB ALA 59 HB2 ALA 59 -6.988 0.026 7.530 389 3HB ALA 59 HB3 ALA 59 -7.032 -1.481 6.614 390 H ILE 60 HN ILE 60 -3.885 -0.956 5.180 391 HA ILE 60 HA ILE 60 -4.401 -2.027 2.578 392 HB ILE 60 HB ILE 60 -2.144 -2.759 4.444 393 1HG1 ILE 60 HG12 ILE 60 -1.697 -0.799 2.268 394 2HG1 ILE 60 HG11 ILE 60 -2.633 -0.220 3.643 395 1HG2 ILE 60 HG21 ILE 60 -2.321 -4.298 2.626 396 2HG2 ILE 60 HG22 ILE 60 -0.958 -3.228 2.301 397 3HG2 ILE 60 HG23 ILE 60 -2.490 -2.986 1.461 398 1HD1 ILE 60 HD11 ILE 60 -0.869 -0.337 5.069 399 2HD1 ILE 60 HD12 ILE 60 -0.010 -0.024 3.560 400 3HD1 ILE 60 HD13 ILE 60 -0.107 -1.666 4.197 401 H LEU 61 HN LEU 61 -4.669 -4.159 1.943 402 HA LEU 61 HA LEU 61 -5.066 -6.170 4.036 403 1HB LEU 61 HB2 LEU 61 -7.062 -5.422 1.909 404 2HB LEU 61 HB1 LEU 61 -7.107 -6.963 2.744 405 HG LEU 61 HG LEU 61 -7.384 -4.250 4.046 406 1HD1 LEU 61 HD11 LEU 61 -9.275 -5.407 2.578 407 2HD1 LEU 61 HD12 LEU 61 -9.636 -4.520 4.058 408 3HD1 LEU 61 HD13 LEU 61 -9.540 -6.280 4.086 409 1HD2 LEU 61 HD21 LEU 61 -6.326 -5.752 5.581 410 2HD2 LEU 61 HD22 LEU 61 -7.467 -7.037 5.187 411 3HD2 LEU 61 HD23 LEU 61 -8.020 -5.598 6.043 412 H ALA 62 HN ALA 62 -5.069 -5.668 0.485 413 HA ALA 62 HA ALA 62 -3.336 -8.034 0.253 414 1HB ALA 62 HB1 ALA 62 -4.597 -9.048 -1.384 415 2HB ALA 62 HB2 ALA 62 -5.429 -7.556 -1.822 416 3HB ALA 62 HB3 ALA 62 -5.849 -8.395 -0.328 417 H VAL 63 HN VAL 63 -1.828 -8.004 -1.392 418 HA VAL 63 HA VAL 63 -1.664 -5.560 -3.027 419 HB VAL 63 HB VAL 63 0.743 -6.858 -1.739 420 1HG1 VAL 63 HG11 VAL 63 1.797 -4.662 -2.380 421 2HG1 VAL 63 HG12 VAL 63 0.343 -4.324 -3.318 422 3HG1 VAL 63 HG13 VAL 63 1.354 -5.710 -3.728 423 1HG2 VAL 63 HG21 VAL 63 0.618 -4.485 -0.508 424 2HG2 VAL 63 HG22 VAL 63 -0.120 -5.946 0.150 425 3HG2 VAL 63 HG23 VAL 63 -1.106 -4.779 -0.729 426 H ASN 64 HN ASN 64 -1.713 -6.113 -5.091 427 HA ASN 64 HA ASN 64 -1.489 -7.250 -7.041 428 1HB ASN 64 HB2 ASN 64 1.020 -7.072 -6.010 429 2HB ASN 64 HB1 ASN 64 0.865 -8.817 -6.174 430 1HD2 ASN 64 HD21 ASN 64 1.911 -6.125 -7.706 431 2HD2 ASN 64 HD22 ASN 64 1.774 -6.644 -9.349 432 H GLY 65 HN GLY 65 -3.152 -8.416 -5.006 433 1HA GLY 65 HA2 GLY 65 -4.511 -10.320 -5.131 434 2HA GLY 65 HA1 GLY 65 -3.263 -11.131 -6.057 435 H VAL 66 HN VAL 66 -1.319 -10.172 -3.810 436 HA VAL 66 HA VAL 66 -1.651 -12.567 -2.192 437 HB VAL 66 HB VAL 66 0.573 -10.526 -2.034 438 1HG1 VAL 66 HG11 VAL 66 1.029 -13.372 -1.400 439 2HG1 VAL 66 HG12 VAL 66 0.013 -12.480 -0.267 440 3HG1 VAL 66 HG13 VAL 66 1.647 -11.919 -0.617 441 1HG2 VAL 66 HG21 VAL 66 0.058 -12.694 -3.979 442 2HG2 VAL 66 HG22 VAL 66 1.702 -12.574 -3.352 443 3HG2 VAL 66 HG23 VAL 66 0.965 -11.193 -4.164 444 H ASN 67 HN ASN 67 -2.363 -12.606 -0.141 445 HA ASN 67 HA ASN 67 -3.454 -10.229 1.021 446 1HB ASN 67 HB2 ASN 67 -4.003 -11.770 2.957 447 2HB ASN 67 HB1 ASN 67 -4.692 -12.219 1.405 448 1HD2 ASN 67 HD21 ASN 67 -4.873 -14.250 2.769 449 2HD2 ASN 67 HD22 ASN 67 -3.571 -15.377 2.643 450 H LEU 68 HN LEU 68 -2.775 -9.065 2.769 451 HA LEU 68 HA LEU 68 -0.061 -9.670 3.754 452 1HB LEU 68 HB2 LEU 68 -0.580 -7.539 2.349 453 2HB LEU 68 HB1 LEU 68 -1.283 -6.936 3.837 454 HG LEU 68 HG LEU 68 0.967 -7.432 4.932 455 1HD1 LEU 68 HD11 LEU 68 1.828 -8.904 3.165 456 2HD1 LEU 68 HD12 LEU 68 2.898 -7.536 3.467 457 3HD1 LEU 68 HD13 LEU 68 1.849 -7.538 2.050 458 1HD2 LEU 68 HD21 LEU 68 -0.039 -5.206 3.756 459 2HD2 LEU 68 HD22 LEU 68 1.495 -5.376 2.902 460 3HD2 LEU 68 HD23 LEU 68 1.473 -5.260 4.662 461 H ARG 69 HN ARG 69 -2.932 -10.329 4.777 462 HA ARG 69 HA ARG 69 -3.202 -8.929 7.241 463 1HB ARG 69 HB2 ARG 69 -4.797 -10.643 5.753 464 2HB ARG 69 HB1 ARG 69 -4.429 -11.573 7.198 465 1HG ARG 69 HG2 ARG 69 -6.453 -10.413 7.596 466 2HG ARG 69 HG1 ARG 69 -5.203 -9.619 8.555 467 1HD ARG 69 HD2 ARG 69 -4.996 -8.100 6.415 468 2HD ARG 69 HD1 ARG 69 -6.641 -8.662 6.127 469 HE ARG 69 HE ARG 69 -5.762 -6.818 8.155 470 1HH1 ARG 69 HH11 ARG 69 -8.278 -9.084 7.239 471 2HH1 ARG 69 HH12 ARG 69 -9.487 -8.327 8.220 472 1HH2 ARG 69 HH21 ARG 69 -7.364 -5.828 9.447 473 2HH2 ARG 69 HH22 ARG 69 -8.968 -6.478 9.473 474 H ASP 70 HN ASP 70 -1.613 -11.928 6.294 475 HA ASP 70 HA ASP 70 -0.867 -12.433 9.086 476 1HB ASP 70 HB2 ASP 70 -1.786 -14.193 7.280 477 2HB ASP 70 HB1 ASP 70 -0.063 -14.328 6.944 478 H THR 71 HN THR 71 0.332 -10.470 6.909 479 HA THR 71 HA THR 71 3.123 -11.356 7.105 480 HB THR 71 HB THR 71 2.056 -9.086 5.430 481 HG1 THR 71 HG1 THR 71 1.014 -10.932 4.720 482 1HG2 THR 71 HG21 THR 71 4.566 -10.723 5.234 483 2HG2 THR 71 HG22 THR 71 4.435 -9.012 5.640 484 3HG2 THR 71 HG23 THR 71 4.015 -9.568 4.021 485 H LYS 72 HN LYS 72 4.766 -9.849 7.722 486 HA LYS 72 HA LYS 72 3.878 -8.038 9.822 487 1HB LYS 72 HB2 LYS 72 6.541 -9.199 9.041 488 2HB LYS 72 HB1 LYS 72 6.433 -7.868 10.183 489 1HG LYS 72 HG2 LYS 72 6.534 -9.772 11.515 490 2HG LYS 72 HG1 LYS 72 4.822 -9.351 11.495 491 1HD LYS 72 HD2 LYS 72 4.262 -11.141 10.151 492 2HD LYS 72 HD1 LYS 72 5.884 -11.270 9.468 493 1HE LYS 72 HE2 LYS 72 5.506 -11.779 12.380 494 2HE LYS 72 HE1 LYS 72 4.995 -13.016 11.233 495 1HZ LYS 72 HZ1 LYS 72 7.707 -11.979 11.747 496 2HZ LYS 72 HZ2 LYS 72 7.340 -12.700 10.260 497 3HZ LYS 72 HZ3 LYS 72 7.172 -13.584 11.693 498 H HIS 73 HN HIS 73 4.888 -5.888 10.049 499 HA HIS 73 HA HIS 73 4.458 -4.236 7.859 500 1HB HIS 73 HB2 HIS 73 4.598 -3.547 10.290 501 2HB HIS 73 HB1 HIS 73 6.349 -3.602 10.134 502 HD1 HIS 73 HD1 HIS 73 7.056 -1.228 10.167 503 HD2 HIS 73 HD2 HIS 73 3.772 -1.830 7.693 504 HE1 HIS 73 HE1 HIS 73 6.623 0.994 9.073 505 HE2 HIS 73 HE2 HIS 73 4.645 0.602 7.562 506 H LYS 74 HN LYS 74 7.593 -5.332 9.172 507 HA LYS 74 HA LYS 74 9.201 -4.121 7.209 508 1HB LYS 74 HB2 LYS 74 10.931 -5.801 7.918 509 2HB LYS 74 HB1 LYS 74 10.240 -4.854 9.227 510 1HG LYS 74 HG2 LYS 74 9.029 -6.661 10.062 511 2HG LYS 74 HG1 LYS 74 9.157 -7.564 8.552 512 1HD LYS 74 HD2 LYS 74 11.469 -8.012 8.925 513 2HD LYS 74 HD1 LYS 74 11.524 -6.897 10.291 514 1HE LYS 74 HE2 LYS 74 11.458 -9.219 11.046 515 2HE LYS 74 HE1 LYS 74 10.013 -8.342 11.547 516 1HZ LYS 74 HZ1 LYS 74 8.774 -9.365 9.782 517 2HZ LYS 74 HZ2 LYS 74 9.541 -10.580 10.672 518 3HZ LYS 74 HZ3 LYS 74 10.159 -10.117 9.168 519 H GLU 75 HN GLU 75 7.633 -7.278 7.329 520 HA GLU 75 HA GLU 75 8.865 -8.383 5.041 521 1HB GLU 75 HB2 GLU 75 6.294 -8.971 6.493 522 2HB GLU 75 HB1 GLU 75 6.736 -9.839 5.031 523 1HG GLU 75 HG2 GLU 75 9.012 -10.076 6.488 524 2HG GLU 75 HG1 GLU 75 7.787 -10.067 7.755 525 H ALA 76 HN ALA 76 5.907 -6.493 5.500 526 HA ALA 76 HA ALA 76 4.922 -6.711 2.872 527 1HB ALA 76 HB1 ALA 76 3.474 -5.957 4.623 528 2HB ALA 76 HB2 ALA 76 3.617 -4.663 3.432 529 3HB ALA 76 HB3 ALA 76 4.510 -4.567 4.950 530 H VAL 77 HN VAL 77 7.276 -4.519 4.323 531 HA VAL 77 HA VAL 77 7.380 -2.611 2.256 532 HB VAL 77 HB VAL 77 9.716 -3.449 3.984 533 1HG1 VAL 77 HG11 VAL 77 10.213 -1.958 2.064 534 2HG1 VAL 77 HG12 VAL 77 10.529 -1.206 3.627 535 3HG1 VAL 77 HG13 VAL 77 9.075 -0.783 2.723 536 1HG2 VAL 77 HG21 VAL 77 7.232 -2.016 4.654 537 2HG2 VAL 77 HG22 VAL 77 8.721 -1.255 5.214 538 3HG2 VAL 77 HG23 VAL 77 8.343 -2.911 5.689 539 H THR 78 HN THR 78 9.184 -5.622 2.762 540 HA THR 78 HA THR 78 10.810 -5.342 0.448 541 HB THR 78 HB THR 78 10.091 -7.893 1.904 542 HG1 THR 78 HG1 THR 78 10.999 -6.758 3.471 543 1HG2 THR 78 HG21 THR 78 11.393 -7.889 -0.363 544 2HG2 THR 78 HG22 THR 78 11.921 -8.901 0.980 545 3HG2 THR 78 HG23 THR 78 12.739 -7.373 0.653 546 H ILE 79 HN ILE 79 7.800 -7.130 1.109 547 HA ILE 79 HA ILE 79 7.597 -8.362 -1.414 548 HB ILE 79 HB ILE 79 5.303 -7.600 0.401 549 1HG1 ILE 79 HG12 ILE 79 6.466 -10.351 0.306 550 2HG1 ILE 79 HG11 ILE 79 7.322 -9.123 1.231 551 1HG2 ILE 79 HG21 ILE 79 4.500 -8.175 -1.782 552 2HG2 ILE 79 HG22 ILE 79 4.186 -9.538 -0.709 553 3HG2 ILE 79 HG23 ILE 79 5.536 -9.601 -1.843 554 1HD1 ILE 79 HD11 ILE 79 5.323 -8.730 2.566 555 2HD1 ILE 79 HD12 ILE 79 5.829 -10.417 2.640 556 3HD1 ILE 79 HD13 ILE 79 4.458 -9.953 1.634 557 H LEU 80 HN LEU 80 6.150 -5.319 -0.208 558 HA LEU 80 HA LEU 80 4.802 -4.702 -2.609 559 1HB LEU 80 HB2 LEU 80 4.522 -2.470 -1.747 560 2HB LEU 80 HB1 LEU 80 4.249 -3.637 -0.470 561 HG LEU 80 HG LEU 80 6.741 -3.140 0.149 562 1HD1 LEU 80 HD11 LEU 80 7.741 -1.630 -1.145 563 2HD1 LEU 80 HD12 LEU 80 6.685 -0.428 -0.406 564 3HD1 LEU 80 HD13 LEU 80 6.224 -1.188 -1.928 565 1HD2 LEU 80 HD21 LEU 80 4.919 -2.668 1.627 566 2HD2 LEU 80 HD22 LEU 80 4.444 -1.265 0.669 567 3HD2 LEU 80 HD23 LEU 80 5.963 -1.247 1.565 568 H SER 81 HN SER 81 8.099 -4.112 -1.545 569 HA SER 81 HA SER 81 8.780 -2.239 -3.556 570 1HB SER 81 HB2 SER 81 10.103 -2.661 -1.454 571 2HB SER 81 HB1 SER 81 10.676 -4.160 -2.187 572 HG SER 81 HG SER 81 11.714 -2.987 -3.755 573 H GLN 82 HN GLN 82 8.641 -5.741 -3.507 574 HA GLN 82 HA GLN 82 10.199 -6.238 -5.814 575 1HB GLN 82 HB2 GLN 82 7.886 -7.921 -4.845 576 2HB GLN 82 HB1 GLN 82 9.261 -8.446 -5.806 577 1HG GLN 82 HG2 GLN 82 10.475 -7.434 -3.577 578 2HG GLN 82 HG1 GLN 82 8.992 -8.121 -2.918 579 1HE2 GLN 82 HE21 GLN 82 10.474 -9.575 -1.815 580 2HE2 GLN 82 HE22 GLN 82 11.046 -10.979 -2.642 581 H GLN 83 HN GLN 83 6.875 -5.239 -5.374 582 HA GLN 83 HA GLN 83 5.834 -5.943 -7.884 583 1HB GLN 83 HB2 GLN 83 5.041 -3.475 -6.341 584 2HB GLN 83 HB1 GLN 83 4.054 -4.425 -7.440 585 1HG GLN 83 HG2 GLN 83 4.948 -5.127 -4.666 586 2HG GLN 83 HG1 GLN 83 3.306 -4.936 -5.273 587 1HE2 GLN 83 HE21 GLN 83 4.595 -7.187 -3.878 588 2HE2 GLN 83 HE22 GLN 83 4.389 -8.555 -4.913 589 H ARG 84 HN ARG 84 6.554 -5.347 -9.815 590 HA ARG 84 HA ARG 84 7.704 -2.650 -10.129 591 1HB ARG 84 HB2 ARG 84 8.508 -5.308 -11.138 592 2HB ARG 84 HB1 ARG 84 8.612 -3.996 -12.302 593 1HG ARG 84 HG2 ARG 84 10.287 -2.931 -11.168 594 2HG ARG 84 HG1 ARG 84 9.791 -3.581 -9.604 595 1HD ARG 84 HD2 ARG 84 10.496 -5.866 -10.667 596 2HD ARG 84 HD1 ARG 84 11.434 -4.846 -11.758 597 HE ARG 84 HE ARG 84 12.096 -3.942 -9.279 598 1HH1 ARG 84 HH11 ARG 84 12.168 -7.088 -10.815 599 2HH1 ARG 84 HH12 ARG 84 13.499 -7.656 -9.866 600 1HH2 ARG 84 HH21 ARG 84 13.851 -4.697 -8.033 601 2HH2 ARG 84 HH22 ARG 84 14.455 -6.300 -8.287 602 H GLY 85 HN GLY 85 7.073 -1.382 -11.863 603 1HA GLY 85 HA2 GLY 85 5.682 -0.577 -13.501 604 2HA GLY 85 HA1 GLY 85 5.553 -2.238 -14.063 605 H GLU 86 HN GLU 86 3.717 -3.377 -13.678 606 HA GLU 86 HA GLU 86 1.411 -1.909 -12.792 607 1HB GLU 86 HB2 GLU 86 1.355 -3.545 -14.678 608 2HB GLU 86 HB1 GLU 86 1.631 -4.839 -13.521 609 1HG GLU 86 HG2 GLU 86 -0.538 -3.541 -12.456 610 2HG GLU 86 HG1 GLU 86 -0.818 -3.412 -14.192 611 H ILE 87 HN ILE 87 0.775 -1.732 -10.751 612 HA ILE 87 HA ILE 87 1.331 -3.957 -8.899 613 HB ILE 87 HB ILE 87 1.448 -1.045 -8.105 614 1HG1 ILE 87 HG12 ILE 87 3.736 -2.937 -8.705 615 2HG1 ILE 87 HG11 ILE 87 3.278 -1.534 -9.664 616 1HG2 ILE 87 HG21 ILE 87 1.657 -1.756 -6.006 617 2HG2 ILE 87 HG22 ILE 87 2.861 -2.964 -6.453 618 3HG2 ILE 87 HG23 ILE 87 1.143 -3.341 -6.584 619 1HD1 ILE 87 HD11 ILE 87 4.440 -0.165 -8.367 620 2HD1 ILE 87 HD12 ILE 87 5.148 -1.606 -7.642 621 3HD1 ILE 87 HD13 ILE 87 3.747 -0.841 -6.895 622 H GLU 88 HN GLU 88 -0.464 -4.734 -8.017 623 HA GLU 88 HA GLU 88 -2.921 -3.152 -8.110 624 1HB GLU 88 HB2 GLU 88 -2.426 -5.801 -8.659 625 2HB GLU 88 HB1 GLU 88 -3.083 -5.881 -7.030 626 1HG GLU 88 HG2 GLU 88 -5.057 -4.634 -7.774 627 2HG GLU 88 HG1 GLU 88 -4.401 -4.590 -9.409 628 H PHE 89 HN PHE 89 -3.754 -2.200 -6.341 629 HA PHE 89 HA PHE 89 -2.783 -3.108 -3.711 630 1HB PHE 89 HB2 PHE 89 -2.706 -0.454 -4.941 631 2HB PHE 89 HB1 PHE 89 -3.433 -0.453 -3.338 632 HD1 PHE 89 HD1 PHE 89 -0.399 -0.463 -5.185 633 HD2 PHE 89 HD2 PHE 89 -2.114 -1.582 -1.454 634 HE1 PHE 89 HE1 PHE 89 1.843 -0.512 -4.173 635 HE2 PHE 89 HE2 PHE 89 0.124 -1.632 -0.435 636 HZ PHE 89 HZ PHE 89 2.107 -1.096 -1.795 637 H GLU 90 HN GLU 90 -4.286 -3.610 -2.265 638 HA GLU 90 HA GLU 90 -7.057 -2.725 -2.751 639 1HB GLU 90 HB2 GLU 90 -6.206 -5.304 -2.875 640 2HB GLU 90 HB1 GLU 90 -6.643 -5.193 -1.176 641 1HG GLU 90 HG2 GLU 90 -8.875 -4.351 -1.867 642 2HG GLU 90 HG1 GLU 90 -8.417 -4.649 -3.540 643 H VAL 91 HN VAL 91 -7.684 -1.313 -1.258 644 HA VAL 91 HA VAL 91 -6.938 -1.786 1.543 645 HB VAL 91 HB VAL 91 -6.596 0.679 1.848 646 1HG1 VAL 91 HG11 VAL 91 -4.506 -0.097 1.891 647 2HG1 VAL 91 HG12 VAL 91 -4.376 0.447 0.219 648 3HG1 VAL 91 HG13 VAL 91 -4.812 -1.224 0.570 649 1HG2 VAL 91 HG21 VAL 91 -6.150 2.076 -0.062 650 2HG2 VAL 91 HG22 VAL 91 -7.756 1.368 -0.229 651 3HG2 VAL 91 HG23 VAL 91 -6.406 0.721 -1.162 652 H VAL 92 HN VAL 92 -8.207 -0.312 3.044 653 HA VAL 92 HA VAL 92 -10.925 0.197 2.018 654 HB VAL 92 HB VAL 92 -10.299 -1.014 4.722 655 1HG1 VAL 92 HG11 VAL 92 -12.995 -1.325 3.679 656 2HG1 VAL 92 HG12 VAL 92 -12.548 0.363 3.918 657 3HG1 VAL 92 HG13 VAL 92 -12.449 -0.773 5.261 658 1HG2 VAL 92 HG21 VAL 92 -11.540 -2.423 2.371 659 2HG2 VAL 92 HG22 VAL 92 -11.039 -3.118 3.911 660 3HG2 VAL 92 HG23 VAL 92 -9.827 -2.528 2.776 661 H TYR 93 HN TYR 93 -11.900 2.052 2.745 662 HA TYR 93 HA TYR 93 -10.295 4.097 3.861 663 1HB TYR 93 HB2 TYR 93 -12.583 4.118 2.430 664 2HB TYR 93 HB1 TYR 93 -13.250 4.375 4.037 665 HD1 TYR 93 HD1 TYR 93 -12.659 6.153 1.302 666 HD2 TYR 93 HD2 TYR 93 -11.296 6.095 5.337 667 HE1 TYR 93 HE1 TYR 93 -12.116 8.546 1.152 668 HE2 TYR 93 HE2 TYR 93 -10.748 8.485 5.193 669 HH TYR 93 HH TYR 93 -11.878 10.508 2.886 670 H VAL 94 HN VAL 94 -9.795 4.531 5.909 671 HA VAL 94 HA VAL 94 -11.547 3.506 8.049 672 HB VAL 94 HB VAL 94 -8.537 3.666 8.218 673 1HG1 VAL 94 HG11 VAL 94 -10.204 3.701 10.282 674 2HG1 VAL 94 HG12 VAL 94 -8.674 2.828 10.327 675 3HG1 VAL 94 HG13 VAL 94 -10.175 1.957 10.011 676 1HG2 VAL 94 HG21 VAL 94 -9.653 0.987 8.246 677 2HG2 VAL 94 HG22 VAL 94 -8.312 1.648 7.313 678 3HG2 VAL 94 HG23 VAL 94 -9.963 1.824 6.725 679 H ALA 95 HN ALA 95 -12.154 4.929 9.535 680 HA ALA 95 HA ALA 95 -12.297 6.799 10.812 681 1HB ALA 95 HB1 ALA 95 -10.388 7.755 11.585 682 2HB ALA 95 HB2 ALA 95 -9.694 7.921 9.973 683 3HB ALA 95 HB3 ALA 95 -9.655 6.360 10.790 Start of MODEL 12 1 HT1 PRO 9 HT2 PRO 9 -16.041 -0.581 3.725 2 HT2 PRO 9 HT1 PRO 9 -14.647 0.257 3.475 3 HA PRO 9 HA PRO 9 -16.533 -0.730 1.707 4 1HB PRO 9 HB2 PRO 9 -15.577 1.581 0.381 5 2HB PRO 9 HB1 PRO 9 -17.251 1.195 0.798 6 1HG PRO 9 HG2 PRO 9 -15.278 2.876 2.249 7 2HG PRO 9 HG1 PRO 9 -17.041 3.033 2.157 8 1HD PRO 9 HD2 PRO 9 -15.871 2.124 4.376 9 2HD PRO 9 HD1 PRO 9 -17.395 1.419 3.804 10 H ILE 10 HN ILE 10 -15.295 -2.150 0.654 11 HA ILE 10 HA ILE 10 -12.425 -1.933 0.689 12 HB ILE 10 HB ILE 10 -13.513 -4.123 0.930 13 1HG1 ILE 10 HG12 ILE 10 -12.221 -5.067 -1.311 14 2HG1 ILE 10 HG11 ILE 10 -11.458 -3.500 -1.070 15 1HG2 ILE 10 HG21 ILE 10 -15.226 -3.364 -1.000 16 2HG2 ILE 10 HG22 ILE 10 -14.961 -5.042 -0.530 17 3HG2 ILE 10 HG23 ILE 10 -14.131 -4.380 -1.937 18 1HD1 ILE 10 HD11 ILE 10 -10.606 -4.098 1.002 19 2HD1 ILE 10 HD12 ILE 10 -10.416 -5.560 0.036 20 3HD1 ILE 10 HD13 ILE 10 -11.741 -5.434 1.192 21 H ARG 11 HN ARG 11 -11.308 -0.737 -0.699 22 HA ARG 11 HA ARG 11 -12.302 -0.489 -3.465 23 1HB ARG 11 HB2 ARG 11 -12.382 1.606 -1.951 24 2HB ARG 11 HB1 ARG 11 -10.632 1.627 -2.131 25 1HG ARG 11 HG2 ARG 11 -10.733 2.121 -4.382 26 2HG ARG 11 HG1 ARG 11 -12.374 1.496 -4.554 27 1HD ARG 11 HD2 ARG 11 -12.734 3.508 -2.753 28 2HD ARG 11 HD1 ARG 11 -11.435 4.157 -3.752 29 HE ARG 11 HE ARG 11 -14.177 3.781 -4.503 30 1HH1 ARG 11 HH11 ARG 11 -10.900 3.979 -5.731 31 2HH1 ARG 11 HH12 ARG 11 -11.393 4.485 -7.313 32 1HH2 ARG 11 HH21 ARG 11 -14.820 4.445 -6.586 33 2HH2 ARG 11 HH22 ARG 11 -13.621 4.750 -7.799 34 H LYS 12 HN LYS 12 -10.968 -1.169 -5.004 35 HA LYS 12 HA LYS 12 -8.139 -1.596 -4.303 36 1HB LYS 12 HB2 LYS 12 -8.233 -3.292 -6.234 37 2HB LYS 12 HB1 LYS 12 -8.998 -3.732 -4.714 38 1HG LYS 12 HG2 LYS 12 -10.682 -2.431 -6.781 39 2HG LYS 12 HG1 LYS 12 -10.178 -4.101 -7.051 40 1HD LYS 12 HD2 LYS 12 -11.240 -4.845 -5.079 41 2HD LYS 12 HD1 LYS 12 -11.441 -3.200 -4.473 42 1HE LYS 12 HE2 LYS 12 -13.273 -2.805 -5.749 43 2HE LYS 12 HE1 LYS 12 -12.690 -3.801 -7.082 44 1HZ LYS 12 HZ1 LYS 12 -13.246 -5.775 -5.743 45 2HZ LYS 12 HZ2 LYS 12 -14.601 -4.826 -6.093 46 3HZ LYS 12 HZ3 LYS 12 -13.907 -4.770 -4.552 47 H VAL 13 HN VAL 13 -6.846 -0.148 -5.186 48 HA VAL 13 HA VAL 13 -7.539 0.974 -7.822 49 HB VAL 13 HB VAL 13 -5.675 2.203 -5.783 50 1HG1 VAL 13 HG11 VAL 13 -7.062 3.469 -8.141 51 2HG1 VAL 13 HG12 VAL 13 -5.402 2.874 -8.170 52 3HG1 VAL 13 HG13 VAL 13 -5.846 4.199 -7.094 53 1HG2 VAL 13 HG21 VAL 13 -7.580 2.498 -4.596 54 2HG2 VAL 13 HG22 VAL 13 -8.621 2.300 -6.005 55 3HG2 VAL 13 HG23 VAL 13 -7.802 3.836 -5.723 56 H LEU 14 HN LEU 14 -5.987 1.073 -9.436 57 HA LEU 14 HA LEU 14 -3.708 -0.731 -9.075 58 1HB LEU 14 HB2 LEU 14 -5.217 -1.201 -10.936 59 2HB LEU 14 HB1 LEU 14 -4.960 0.409 -11.579 60 HG LEU 14 HG LEU 14 -2.519 -1.223 -11.227 61 1HD1 LEU 14 HD11 LEU 14 -4.276 -1.836 -13.573 62 2HD1 LEU 14 HD12 LEU 14 -4.391 -2.772 -12.083 63 3HD1 LEU 14 HD13 LEU 14 -2.870 -2.713 -12.971 64 1HD2 LEU 14 HD21 LEU 14 -2.663 1.077 -12.251 65 2HD2 LEU 14 HD22 LEU 14 -3.512 0.334 -13.606 66 3HD2 LEU 14 HD23 LEU 14 -1.856 -0.146 -13.233 67 H LEU 15 HN LEU 15 -1.734 0.062 -8.781 68 HA LEU 15 HA LEU 15 -1.218 2.857 -9.544 69 1HB LEU 15 HB2 LEU 15 -0.963 1.736 -7.095 70 2HB LEU 15 HB1 LEU 15 0.657 1.488 -7.718 71 HG LEU 15 HG LEU 15 -0.560 4.209 -7.917 72 1HD1 LEU 15 HD11 LEU 15 0.512 2.934 -5.416 73 2HD1 LEU 15 HD12 LEU 15 -1.023 3.770 -5.650 74 3HD1 LEU 15 HD13 LEU 15 0.488 4.680 -5.662 75 1HD2 LEU 15 HD21 LEU 15 1.483 4.253 -8.933 76 2HD2 LEU 15 HD22 LEU 15 2.147 2.981 -7.907 77 3HD2 LEU 15 HD23 LEU 15 1.972 4.620 -7.278 78 H LEU 16 HN LEU 16 0.119 3.238 -11.160 79 HA LEU 16 HA LEU 16 1.919 1.088 -12.048 80 1HB LEU 16 HB2 LEU 16 0.146 1.936 -13.625 81 2HB LEU 16 HB1 LEU 16 0.982 3.477 -13.637 82 HG LEU 16 HG LEU 16 2.595 1.082 -14.324 83 1HD1 LEU 16 HD11 LEU 16 0.403 2.179 -16.066 84 2HD1 LEU 16 HD12 LEU 16 0.681 0.506 -15.582 85 3HD1 LEU 16 HD13 LEU 16 1.788 1.293 -16.706 86 1HD2 LEU 16 HD21 LEU 16 3.587 2.649 -15.915 87 2HD2 LEU 16 HD22 LEU 16 3.579 3.316 -14.282 88 3HD2 LEU 16 HD23 LEU 16 2.394 3.868 -15.465 89 H LYS 17 HN LYS 17 3.968 1.349 -11.479 90 HA LYS 17 HA LYS 17 5.116 4.056 -11.543 91 1HB LYS 17 HB2 LYS 17 6.487 3.499 -9.567 92 2HB LYS 17 HB1 LYS 17 4.767 3.498 -9.206 93 1HG LYS 17 HG2 LYS 17 4.832 1.391 -8.520 94 2HG LYS 17 HG1 LYS 17 5.666 0.867 -9.983 95 1HD LYS 17 HD2 LYS 17 7.800 1.527 -9.041 96 2HD LYS 17 HD1 LYS 17 6.996 2.160 -7.603 97 1HE LYS 17 HE2 LYS 17 6.115 -0.156 -7.200 98 2HE LYS 17 HE1 LYS 17 7.160 -0.711 -8.507 99 1HZ LYS 17 HZ1 LYS 17 8.949 0.553 -7.060 100 2HZ LYS 17 HZ2 LYS 17 8.528 -1.055 -6.747 101 3HZ LYS 17 HZ3 LYS 17 7.861 0.189 -5.815 102 H GLU 18 HN GLU 18 7.131 4.242 -12.411 103 HA GLU 18 HA GLU 18 8.093 1.998 -13.945 104 1HB GLU 18 HB2 GLU 18 8.126 4.704 -14.339 105 2HB GLU 18 HB1 GLU 18 9.780 4.409 -13.820 106 1HG GLU 18 HG2 GLU 18 10.013 4.139 -16.066 107 2HG GLU 18 HG1 GLU 18 9.655 2.479 -15.596 108 H ASP 19 HN ASP 19 10.452 1.447 -13.960 109 HA ASP 19 HA ASP 19 11.284 0.485 -11.477 110 1HB ASP 19 HB2 ASP 19 12.549 0.751 -14.158 111 2HB ASP 19 HB1 ASP 19 13.623 0.471 -12.790 112 H HIS 20 HN HIS 20 12.134 3.462 -13.170 113 HA HIS 20 HA HIS 20 14.104 4.246 -11.235 114 1HB HIS 20 HB2 HIS 20 14.161 6.375 -12.459 115 2HB HIS 20 HB1 HIS 20 14.281 5.003 -13.553 116 HD1 HIS 20 HD1 HIS 20 12.047 7.842 -12.613 117 HD2 HIS 20 HD2 HIS 20 12.112 4.684 -15.312 118 HE1 HIS 20 HE1 HIS 20 10.204 8.323 -14.253 119 HE2 HIS 20 HE2 HIS 20 10.159 6.315 -15.775 120 H GLU 21 HN GLU 21 10.663 4.726 -11.654 121 HA GLU 21 HA GLU 21 10.438 6.879 -9.769 122 1HB GLU 21 HB2 GLU 21 8.485 5.128 -11.228 123 2HB GLU 21 HB1 GLU 21 7.934 6.164 -9.921 124 1HG GLU 21 HG2 GLU 21 9.404 7.899 -11.423 125 2HG GLU 21 HG1 GLU 21 8.722 6.834 -12.652 126 H GLY 22 HN GLY 22 8.681 6.525 -7.942 127 1HA GLY 22 HA2 GLY 22 9.267 3.999 -6.529 128 2HA GLY 22 HA1 GLY 22 9.451 5.543 -5.711 129 H LEU 23 HN LEU 23 7.918 5.225 -4.139 130 HA LEU 23 HA LEU 23 5.190 4.524 -4.925 131 1HB LEU 23 HB2 LEU 23 6.721 4.531 -2.379 132 2HB LEU 23 HB1 LEU 23 5.002 4.849 -2.262 133 HG LEU 23 HG LEU 23 6.065 2.426 -3.696 134 1HD1 LEU 23 HD11 LEU 23 5.032 2.144 -0.943 135 2HD1 LEU 23 HD12 LEU 23 6.652 2.820 -1.112 136 3HD1 LEU 23 HD13 LEU 23 6.284 1.233 -1.788 137 1HD2 LEU 23 HD21 LEU 23 3.479 2.483 -2.262 138 2HD2 LEU 23 HD22 LEU 23 3.912 1.728 -3.797 139 3HD2 LEU 23 HD23 LEU 23 3.595 3.461 -3.725 140 H GLY 24 HN GLY 24 6.537 6.932 -2.640 141 1HA GLY 24 HA2 GLY 24 6.197 9.287 -2.859 142 2HA GLY 24 HA1 GLY 24 4.784 8.963 -3.845 143 H ILE 25 HN ILE 25 4.716 6.898 -1.201 144 HA ILE 25 HA ILE 25 3.306 8.830 0.501 145 HB ILE 25 HB ILE 25 1.512 7.166 0.926 146 1HG1 ILE 25 HG12 ILE 25 1.369 5.538 -1.223 147 2HG1 ILE 25 HG11 ILE 25 3.117 5.626 -1.039 148 1HG2 ILE 25 HG21 ILE 25 1.582 9.057 -0.920 149 2HG2 ILE 25 HG22 ILE 25 0.202 7.973 -0.749 150 3HG2 ILE 25 HG23 ILE 25 1.412 7.670 -1.996 151 1HD1 ILE 25 HD11 ILE 25 1.303 4.936 1.245 152 2HD1 ILE 25 HD12 ILE 25 3.042 4.682 1.106 153 3HD1 ILE 25 HD13 ILE 25 1.931 3.724 0.128 154 H SER 26 HN SER 26 3.002 8.113 2.710 155 HA SER 26 HA SER 26 5.045 6.151 3.529 156 1HB SER 26 HB2 SER 26 3.968 8.343 5.300 157 2HB SER 26 HB1 SER 26 5.462 7.422 5.478 158 HG SER 26 HG SER 26 6.430 8.809 4.231 159 H ILE 27 HN ILE 27 4.488 4.495 4.858 160 HA ILE 27 HA ILE 27 1.672 4.366 5.730 161 HB ILE 27 HB ILE 27 1.936 1.864 5.610 162 1HG1 ILE 27 HG12 ILE 27 4.135 2.172 3.644 163 2HG1 ILE 27 HG11 ILE 27 4.585 2.326 5.338 164 1HG2 ILE 27 HG21 ILE 27 1.063 3.599 3.761 165 2HG2 ILE 27 HG22 ILE 27 1.039 1.850 3.536 166 3HG2 ILE 27 HG23 ILE 27 2.346 2.811 2.843 167 1HD1 ILE 27 HD11 ILE 27 2.961 -0.001 4.409 168 2HD1 ILE 27 HD12 ILE 27 4.009 0.141 5.821 169 3HD1 ILE 27 HD13 ILE 27 4.712 0.020 4.208 170 H THR 28 HN THR 28 1.238 3.111 7.670 171 HA THR 28 HA THR 28 3.512 2.694 9.455 172 HB THR 28 HB THR 28 2.909 4.957 9.969 173 HG1 THR 28 HG1 THR 28 2.471 4.729 12.115 174 1HG2 THR 28 HG21 THR 28 0.593 4.865 9.011 175 2HG2 THR 28 HG22 THR 28 0.755 5.738 10.535 176 3HG2 THR 28 HG23 THR 28 0.082 4.108 10.519 177 H GLY 29 HN GLY 29 3.051 1.359 11.291 178 1HA GLY 29 HA2 GLY 29 1.068 0.222 12.455 179 2HA GLY 29 HA1 GLY 29 0.715 -0.389 10.846 180 H GLY 30 HN GLY 30 0.896 -2.491 12.075 181 1HA GLY 30 HA2 GLY 30 3.190 -3.878 11.361 182 2HA GLY 30 HA1 GLY 30 3.435 -3.369 13.022 183 H LYS 31 HN LYS 31 2.508 -5.910 11.220 184 HA LYS 31 HA LYS 31 0.163 -6.887 12.402 185 1HB LYS 31 HB2 LYS 31 1.743 -7.768 10.411 186 2HB LYS 31 HB1 LYS 31 2.262 -8.862 11.683 187 1HG LYS 31 HG2 LYS 31 -0.646 -8.488 11.111 188 2HG LYS 31 HG1 LYS 31 0.337 -9.558 10.112 189 1HD LYS 31 HD2 LYS 31 0.614 -11.088 11.778 190 2HD LYS 31 HD1 LYS 31 0.556 -9.871 13.054 191 1HE LYS 31 HE2 LYS 31 -1.801 -9.753 12.971 192 2HE LYS 31 HE1 LYS 31 -1.866 -10.629 11.444 193 1HZ LYS 31 HZ1 LYS 31 -1.524 -11.655 14.159 194 2HZ LYS 31 HZ2 LYS 31 -0.721 -12.474 12.915 195 3HZ LYS 31 HZ3 LYS 31 -2.402 -12.295 12.864 196 H GLU 32 HN GLU 32 3.531 -7.104 13.425 197 HA GLU 32 HA GLU 32 3.261 -8.985 15.479 198 1HB GLU 32 HB2 GLU 32 5.391 -7.971 14.482 199 2HB GLU 32 HB1 GLU 32 5.133 -6.626 15.584 200 1HG GLU 32 HG2 GLU 32 5.246 -8.164 17.483 201 2HG GLU 32 HG1 GLU 32 5.514 -9.506 16.371 202 H HIS 33 HN HIS 33 2.491 -5.564 15.373 203 HA HIS 33 HA HIS 33 2.118 -5.325 18.223 204 1HB HIS 33 HB2 HIS 33 1.296 -3.450 15.992 205 2HB HIS 33 HB1 HIS 33 1.270 -3.074 17.710 206 HD1 HIS 33 HD1 HIS 33 4.144 -4.403 18.258 207 HD2 HIS 33 HD2 HIS 33 3.223 -1.545 15.381 208 HE1 HIS 33 HE1 HIS 33 6.309 -3.226 17.761 209 HE2 HIS 33 HE2 HIS 33 5.744 -1.555 15.962 210 H GLY 34 HN GLY 34 0.152 -6.107 15.449 211 1HA GLY 34 HA2 GLY 34 -1.873 -7.365 15.758 212 2HA GLY 34 HA1 GLY 34 -2.143 -6.491 17.255 213 H VAL 35 HN VAL 35 -1.164 -4.896 14.280 214 HA VAL 35 HA VAL 35 -3.896 -4.045 13.729 215 HB VAL 35 HB VAL 35 -3.125 -1.634 13.558 216 1HG1 VAL 35 HG11 VAL 35 -4.599 -2.419 15.339 217 2HG1 VAL 35 HG12 VAL 35 -3.490 -1.182 15.930 218 3HG1 VAL 35 HG13 VAL 35 -3.197 -2.881 16.303 219 1HG2 VAL 35 HG21 VAL 35 -1.055 -2.148 15.599 220 2HG2 VAL 35 HG22 VAL 35 -1.118 -0.930 14.324 221 3HG2 VAL 35 HG23 VAL 35 -0.641 -2.584 13.942 222 HA PRO 36 HA PRO 36 -2.397 -4.608 9.574 223 1HB PRO 36 HB2 PRO 36 -4.636 -2.815 8.827 224 2HB PRO 36 HB1 PRO 36 -4.299 -4.471 8.308 225 1HG PRO 36 HG2 PRO 36 -6.288 -3.940 10.012 226 2HG PRO 36 HG1 PRO 36 -5.297 -5.402 10.180 227 1HD PRO 36 HD2 PRO 36 -5.169 -2.835 11.719 228 2HD PRO 36 HD1 PRO 36 -5.019 -4.508 12.301 229 H ILE 37 HN ILE 37 -1.457 -3.374 7.843 230 HA ILE 37 HA ILE 37 -0.350 -0.857 8.742 231 HB ILE 37 HB ILE 37 0.067 -2.118 6.032 232 1HG1 ILE 37 HG12 ILE 37 0.606 -3.818 7.692 233 2HG1 ILE 37 HG11 ILE 37 2.085 -3.194 6.973 234 1HG2 ILE 37 HG21 ILE 37 0.846 0.140 6.165 235 2HG2 ILE 37 HG22 ILE 37 2.244 -0.934 6.186 236 3HG2 ILE 37 HG23 ILE 37 1.685 -0.187 7.681 237 1HD1 ILE 37 HD11 ILE 37 1.645 -1.608 9.220 238 2HD1 ILE 37 HD12 ILE 37 2.846 -2.885 9.023 239 3HD1 ILE 37 HD13 ILE 37 1.270 -3.256 9.724 240 H LEU 38 HN LEU 38 -0.877 1.158 8.035 241 HA LEU 38 HA LEU 38 -2.680 1.406 5.742 242 1HB LEU 38 HB2 LEU 38 -4.175 2.901 6.909 243 2HB LEU 38 HB1 LEU 38 -4.101 1.357 7.734 244 HG LEU 38 HG LEU 38 -2.221 2.752 9.116 245 1HD1 LEU 38 HD11 LEU 38 -4.401 4.749 8.556 246 2HD1 LEU 38 HD12 LEU 38 -2.830 4.784 7.756 247 3HD1 LEU 38 HD13 LEU 38 -2.932 4.978 9.505 248 1HD2 LEU 38 HD21 LEU 38 -3.738 2.713 10.885 249 2HD2 LEU 38 HD22 LEU 38 -4.303 1.417 9.832 250 3HD2 LEU 38 HD23 LEU 38 -5.125 2.977 9.829 251 H ILE 39 HN ILE 39 -2.780 3.529 4.807 252 HA ILE 39 HA ILE 39 -0.216 4.849 4.843 253 HB ILE 39 HB ILE 39 -2.687 5.690 3.321 254 1HG1 ILE 39 HG12 ILE 39 -0.463 4.002 2.191 255 2HG1 ILE 39 HG11 ILE 39 -1.853 3.261 2.975 256 1HG2 ILE 39 HG21 ILE 39 -1.401 7.162 2.195 257 2HG2 ILE 39 HG22 ILE 39 0.018 6.117 2.229 258 3HG2 ILE 39 HG23 ILE 39 -0.401 7.079 3.646 259 1HD1 ILE 39 HD11 ILE 39 -3.010 5.017 1.213 260 2HD1 ILE 39 HD12 ILE 39 -2.791 3.285 0.964 261 3HD1 ILE 39 HD13 ILE 39 -1.604 4.425 0.331 262 H SER 40 HN SER 40 0.324 6.581 5.995 263 HA SER 40 HA SER 40 -1.788 8.033 7.425 264 1HB SER 40 HB2 SER 40 0.198 6.946 8.634 265 2HB SER 40 HB1 SER 40 1.168 8.256 7.962 266 HG SER 40 HG SER 40 0.088 9.700 9.167 267 H GLU 41 HN GLU 41 1.079 8.600 5.377 268 HA GLU 41 HA GLU 41 0.024 11.300 4.846 269 1HB GLU 41 HB2 GLU 41 2.770 10.460 5.626 270 2HB GLU 41 HB1 GLU 41 2.620 11.748 4.438 271 1HG GLU 41 HG2 GLU 41 1.030 12.851 6.114 272 2HG GLU 41 HG1 GLU 41 1.679 11.703 7.282 273 H ILE 42 HN ILE 42 0.376 12.162 2.785 274 HA ILE 42 HA ILE 42 1.333 10.297 0.720 275 HB ILE 42 HB ILE 42 -1.132 12.018 0.413 276 1HG1 ILE 42 HG12 ILE 42 -1.039 9.017 0.785 277 2HG1 ILE 42 HG11 ILE 42 -1.415 10.150 2.079 278 1HG2 ILE 42 HG21 ILE 42 0.478 11.019 -1.530 279 2HG2 ILE 42 HG22 ILE 42 -1.243 11.347 -1.727 280 3HG2 ILE 42 HG23 ILE 42 -0.696 9.714 -1.353 281 1HD1 ILE 42 HD11 ILE 42 -3.464 10.675 1.208 282 2HD1 ILE 42 HD12 ILE 42 -3.316 8.983 0.735 283 3HD1 ILE 42 HD13 ILE 42 -2.993 10.259 -0.439 284 H HIS 43 HN HIS 43 2.872 11.223 -0.497 285 HA HIS 43 HA HIS 43 3.343 14.070 -0.312 286 1HB HIS 43 HB2 HIS 43 4.816 11.935 -1.873 287 2HB HIS 43 HB1 HIS 43 5.346 13.602 -1.686 288 HD1 HIS 43 HD1 HIS 43 6.963 13.958 0.151 289 HD2 HIS 43 HD2 HIS 43 4.591 10.612 0.815 290 HE1 HIS 43 HE1 HIS 43 7.823 12.936 2.282 291 HE2 HIS 43 HE2 HIS 43 6.276 10.999 2.736 292 HA PRO 44 HA PRO 44 1.043 15.025 -3.998 293 1HB PRO 44 HB2 PRO 44 1.806 17.605 -4.268 294 2HB PRO 44 HB1 PRO 44 0.673 17.075 -3.019 295 1HG PRO 44 HG2 PRO 44 3.597 17.667 -2.802 296 2HG PRO 44 HG1 PRO 44 2.284 18.082 -1.686 297 1HD PRO 44 HD2 PRO 44 3.976 15.976 -1.302 298 2HD PRO 44 HD1 PRO 44 2.312 16.016 -0.690 299 H GLY 45 HN GLY 45 1.374 15.209 -6.198 300 1HA GLY 45 HA2 GLY 45 2.509 15.320 -8.203 301 2HA GLY 45 HA1 GLY 45 3.887 15.979 -7.337 302 H GLN 46 HN GLN 46 2.289 12.893 -6.720 303 HA GLN 46 HA GLN 46 4.629 11.472 -7.784 304 1HB GLN 46 HB2 GLN 46 3.863 11.706 -5.017 305 2HB GLN 46 HB1 GLN 46 3.722 10.028 -5.526 306 1HG GLN 46 HG2 GLN 46 5.908 9.775 -5.349 307 2HG GLN 46 HG1 GLN 46 6.167 11.050 -6.539 308 1HE2 GLN 46 HE21 GLN 46 5.456 13.305 -5.337 309 2HE2 GLN 46 HE22 GLN 46 6.389 13.586 -3.910 310 HA PRO 47 HA PRO 47 2.039 8.390 -9.614 311 1HB PRO 47 HB2 PRO 47 2.847 6.396 -7.545 312 2HB PRO 47 HB1 PRO 47 2.851 6.253 -9.307 313 1HG PRO 47 HG2 PRO 47 5.120 6.638 -7.991 314 2HG PRO 47 HG1 PRO 47 4.819 7.467 -9.530 315 1HD PRO 47 HD2 PRO 47 4.722 8.540 -6.747 316 2HD PRO 47 HD1 PRO 47 5.256 9.332 -8.244 317 H ALA 48 HN ALA 48 1.867 8.503 -6.077 318 HA ALA 48 HA ALA 48 -0.628 7.197 -5.799 319 1HB ALA 48 HB1 ALA 48 0.555 9.261 -3.946 320 2HB ALA 48 HB2 ALA 48 1.016 7.560 -3.961 321 3HB ALA 48 HB3 ALA 48 -0.635 8.022 -3.548 322 H ASP 49 HN ASP 49 0.254 10.640 -6.000 323 HA ASP 49 HA ASP 49 -2.414 11.602 -5.778 324 1HB ASP 49 HB2 ASP 49 -0.398 12.979 -5.281 325 2HB ASP 49 HB1 ASP 49 -0.018 12.992 -7.000 326 H ARG 50 HN ARG 50 -0.298 10.839 -8.513 327 HA ARG 50 HA ARG 50 -1.904 11.850 -10.578 328 1HB ARG 50 HB2 ARG 50 -0.028 9.479 -10.619 329 2HB ARG 50 HB1 ARG 50 -0.696 10.260 -12.045 330 1HG ARG 50 HG2 ARG 50 0.492 12.300 -10.526 331 2HG ARG 50 HG1 ARG 50 1.622 10.946 -10.509 332 1HD ARG 50 HD2 ARG 50 0.436 12.302 -12.929 333 2HD ARG 50 HD1 ARG 50 2.113 12.363 -12.390 334 HE ARG 50 HE ARG 50 1.216 9.693 -12.921 335 1HH1 ARG 50 HH11 ARG 50 2.497 12.600 -14.396 336 2HH1 ARG 50 HH12 ARG 50 3.146 11.765 -15.766 337 1HH2 ARG 50 HH21 ARG 50 2.068 8.601 -14.742 338 2HH2 ARG 50 HH22 ARG 50 2.902 9.500 -15.964 339 H CYS 51 HN CYS 51 -2.113 8.833 -8.766 340 HA CYS 51 HA CYS 51 -3.964 7.589 -10.571 341 1HB CYS 51 HB2 CYS 51 -2.795 6.941 -7.911 342 2HB CYS 51 HB1 CYS 51 -4.315 6.162 -8.338 343 HG CYS 51 HG CYS 51 -3.157 4.933 -10.241 344 H GLY 52 HN GLY 52 -4.238 9.715 -7.800 345 1HA GLY 52 HA2 GLY 52 -6.062 10.812 -6.930 346 2HA GLY 52 HA1 GLY 52 -6.967 10.280 -8.334 347 H GLY 53 HN GLY 53 -5.505 7.764 -6.499 348 1HA GLY 53 HA2 GLY 53 -8.137 7.120 -5.317 349 2HA GLY 53 HA1 GLY 53 -6.985 5.918 -5.875 350 H LEU 54 HN LEU 54 -4.655 7.201 -4.716 351 HA LEU 54 HA LEU 54 -4.798 6.044 -2.122 352 1HB LEU 54 HB2 LEU 54 -2.772 6.530 -3.796 353 2HB LEU 54 HB1 LEU 54 -2.613 7.948 -2.777 354 HG LEU 54 HG LEU 54 -2.790 5.237 -1.519 355 1HD1 LEU 54 HD11 LEU 54 -1.047 5.271 -3.377 356 2HD1 LEU 54 HD12 LEU 54 -0.496 4.820 -1.764 357 3HD1 LEU 54 HD13 LEU 54 -0.179 6.440 -2.383 358 1HD2 LEU 54 HD21 LEU 54 -1.118 6.531 0.008 359 2HD2 LEU 54 HD22 LEU 54 -2.847 6.860 0.112 360 3HD2 LEU 54 HD23 LEU 54 -1.794 7.953 -0.786 361 H HIS 55 HN HIS 55 -6.039 6.942 -0.609 362 HA HIS 55 HA HIS 55 -5.865 9.853 -0.181 363 1HB HIS 55 HB2 HIS 55 -8.065 9.665 0.936 364 2HB HIS 55 HB1 HIS 55 -8.123 9.133 -0.740 365 HD1 HIS 55 HD1 HIS 55 -7.728 7.527 2.699 366 HD2 HIS 55 HD2 HIS 55 -9.375 6.758 -1.036 367 HE1 HIS 55 HE1 HIS 55 -8.902 5.321 2.926 368 HE2 HIS 55 HE2 HIS 55 -9.737 4.794 0.609 369 H VAL 56 HN VAL 56 -5.930 10.623 2.033 370 HA VAL 56 HA VAL 56 -4.082 9.311 3.710 371 HB VAL 56 HB VAL 56 -6.059 11.426 4.583 372 1HG1 VAL 56 HG11 VAL 56 -5.069 10.855 6.542 373 2HG1 VAL 56 HG12 VAL 56 -3.829 11.961 5.953 374 3HG1 VAL 56 HG13 VAL 56 -3.622 10.220 5.758 375 1HG2 VAL 56 HG21 VAL 56 -5.027 12.387 2.706 376 2HG2 VAL 56 HG22 VAL 56 -3.459 11.682 3.097 377 3HG2 VAL 56 HG23 VAL 56 -4.107 12.993 4.083 378 H GLY 57 HN GLY 57 -4.315 7.987 5.459 379 1HA GLY 57 HA2 GLY 57 -5.332 6.657 7.045 380 2HA GLY 57 HA1 GLY 57 -6.821 7.550 6.775 381 H ASP 58 HN ASP 58 -4.775 5.443 4.744 382 HA ASP 58 HA ASP 58 -7.202 3.922 4.034 383 1HB ASP 58 HB2 ASP 58 -5.436 5.205 2.345 384 2HB ASP 58 HB1 ASP 58 -4.856 3.545 2.312 385 H ALA 59 HN ALA 59 -7.311 1.910 4.859 386 HA ALA 59 HA ALA 59 -4.900 0.707 5.973 387 1HB ALA 59 HB1 ALA 59 -6.910 0.769 7.351 388 2HB ALA 59 HB2 ALA 59 -6.403 -0.890 7.036 389 3HB ALA 59 HB3 ALA 59 -7.768 -0.201 6.156 390 H ILE 60 HN ILE 60 -3.773 -0.860 5.040 391 HA ILE 60 HA ILE 60 -4.644 -1.962 2.499 392 HB ILE 60 HB ILE 60 -2.095 -2.599 3.983 393 1HG1 ILE 60 HG12 ILE 60 -1.933 -0.673 1.772 394 2HG1 ILE 60 HG11 ILE 60 -2.807 -0.069 3.176 395 1HG2 ILE 60 HG21 ILE 60 -2.991 -2.914 1.133 396 2HG2 ILE 60 HG22 ILE 60 -2.417 -4.153 2.249 397 3HG2 ILE 60 HG23 ILE 60 -1.290 -2.961 1.601 398 1HD1 ILE 60 HD11 ILE 60 0.040 -0.958 2.980 399 2HD1 ILE 60 HD12 ILE 60 -0.792 -0.872 4.532 400 3HD1 ILE 60 HD13 ILE 60 -0.610 0.579 3.546 401 H LEU 61 HN LEU 61 -4.818 -4.166 2.008 402 HA LEU 61 HA LEU 61 -4.929 -6.040 4.262 403 1HB LEU 61 HB2 LEU 61 -7.149 -5.267 2.461 404 2HB LEU 61 HB1 LEU 61 -6.981 -6.981 2.791 405 HG LEU 61 HG LEU 61 -7.258 -4.854 4.920 406 1HD1 LEU 61 HD11 LEU 61 -9.255 -6.467 3.423 407 2HD1 LEU 61 HD12 LEU 61 -9.367 -4.825 4.056 408 3HD1 LEU 61 HD13 LEU 61 -9.520 -6.202 5.146 409 1HD2 LEU 61 HD21 LEU 61 -7.191 -7.864 5.013 410 2HD2 LEU 61 HD22 LEU 61 -7.785 -6.865 6.339 411 3HD2 LEU 61 HD23 LEU 61 -6.106 -6.729 5.816 412 H ALA 62 HN ALA 62 -5.117 -5.751 0.695 413 HA ALA 62 HA ALA 62 -3.281 -8.037 0.505 414 1HB ALA 62 HB1 ALA 62 -4.636 -9.327 -0.737 415 2HB ALA 62 HB2 ALA 62 -5.321 -7.956 -1.607 416 3HB ALA 62 HB3 ALA 62 -5.926 -8.374 -0.004 417 H VAL 63 HN VAL 63 -1.874 -8.014 -1.244 418 HA VAL 63 HA VAL 63 -2.006 -5.704 -3.061 419 HB VAL 63 HB VAL 63 0.565 -6.605 -1.752 420 1HG1 VAL 63 HG11 VAL 63 -0.175 -4.455 -3.693 421 2HG1 VAL 63 HG12 VAL 63 1.174 -5.590 -3.736 422 3HG1 VAL 63 HG13 VAL 63 1.200 -4.231 -2.612 423 1HG2 VAL 63 HG21 VAL 63 -1.379 -4.464 -0.971 424 2HG2 VAL 63 HG22 VAL 63 0.340 -4.293 -0.616 425 3HG2 VAL 63 HG23 VAL 63 -0.565 -5.656 0.042 426 H ASN 64 HN ASN 64 -2.080 -6.473 -5.062 427 HA ASN 64 HA ASN 64 -1.793 -7.776 -6.899 428 1HB ASN 64 HB2 ASN 64 0.679 -7.092 -6.138 429 2HB ASN 64 HB1 ASN 64 0.818 -8.834 -5.925 430 1HD2 ASN 64 HD21 ASN 64 1.308 -6.395 -8.051 431 2HD2 ASN 64 HD22 ASN 64 1.214 -7.274 -9.536 432 H GLY 65 HN GLY 65 -3.214 -8.940 -4.723 433 1HA GLY 65 HA2 GLY 65 -4.253 -11.014 -4.506 434 2HA GLY 65 HA1 GLY 65 -2.982 -11.732 -5.479 435 H VAL 66 HN VAL 66 -1.094 -10.210 -3.440 436 HA VAL 66 HA VAL 66 -0.786 -12.509 -1.712 437 HB VAL 66 HB VAL 66 0.837 -9.961 -1.684 438 1HG1 VAL 66 HG11 VAL 66 1.987 -12.605 -1.011 439 2HG1 VAL 66 HG12 VAL 66 0.870 -11.898 0.156 440 3HG1 VAL 66 HG13 VAL 66 2.318 -11.015 -0.326 441 1HG2 VAL 66 HG21 VAL 66 2.379 -10.998 -3.210 442 2HG2 VAL 66 HG22 VAL 66 0.776 -10.997 -3.943 443 3HG2 VAL 66 HG23 VAL 66 1.422 -12.479 -3.239 444 H ASN 67 HN ASN 67 -1.219 -12.622 0.428 445 HA ASN 67 HA ASN 67 -2.978 -10.657 1.557 446 1HB ASN 67 HB2 ASN 67 -3.119 -12.164 3.474 447 2HB ASN 67 HB1 ASN 67 -3.293 -13.069 1.975 448 1HD2 ASN 67 HD21 ASN 67 -1.707 -12.891 4.914 449 2HD2 ASN 67 HD22 ASN 67 -0.448 -14.032 4.602 450 H LEU 68 HN LEU 68 -2.590 -9.163 3.117 451 HA LEU 68 HA LEU 68 0.201 -8.887 4.033 452 1HB LEU 68 HB2 LEU 68 -0.951 -7.113 2.484 453 2HB LEU 68 HB1 LEU 68 -1.712 -6.588 3.973 454 HG LEU 68 HG LEU 68 0.983 -6.757 4.634 455 1HD1 LEU 68 HD11 LEU 68 1.066 -5.059 2.240 456 2HD1 LEU 68 HD12 LEU 68 1.029 -6.794 1.931 457 3HD1 LEU 68 HD13 LEU 68 2.301 -6.105 2.939 458 1HD2 LEU 68 HD21 LEU 68 0.804 -4.481 5.053 459 2HD2 LEU 68 HD22 LEU 68 -0.869 -5.028 5.140 460 3HD2 LEU 68 HD23 LEU 68 -0.283 -4.212 3.691 461 H ARG 69 HN ARG 69 -2.788 -9.799 5.115 462 HA ARG 69 HA ARG 69 -2.951 -8.400 7.586 463 1HB ARG 69 HB2 ARG 69 -4.690 -9.934 6.189 464 2HB ARG 69 HB1 ARG 69 -4.181 -11.082 7.420 465 1HG ARG 69 HG2 ARG 69 -4.922 -9.648 9.175 466 2HG ARG 69 HG1 ARG 69 -5.211 -8.323 8.046 467 1HD ARG 69 HD2 ARG 69 -7.287 -9.474 8.743 468 2HD ARG 69 HD1 ARG 69 -7.007 -9.538 7.003 469 HE ARG 69 HE ARG 69 -6.032 -11.832 8.457 470 1HH1 ARG 69 HH11 ARG 69 -8.789 -10.434 6.809 471 2HH1 ARG 69 HH12 ARG 69 -9.507 -11.968 6.451 472 1HH2 ARG 69 HH21 ARG 69 -6.985 -13.850 7.979 473 2HH2 ARG 69 HH22 ARG 69 -8.485 -13.905 7.114 474 H ASP 70 HN ASP 70 -1.412 -11.413 6.596 475 HA ASP 70 HA ASP 70 -0.578 -11.891 9.374 476 1HB ASP 70 HB2 ASP 70 -1.613 -13.652 7.551 477 2HB ASP 70 HB1 ASP 70 0.116 -13.938 7.382 478 H THR 71 HN THR 71 0.615 -10.060 7.085 479 HA THR 71 HA THR 71 3.361 -11.092 7.204 480 HB THR 71 HB THR 71 3.849 -9.523 5.374 481 HG1 THR 71 HG1 THR 71 2.400 -7.886 5.761 482 1HG2 THR 71 HG21 THR 71 1.416 -11.210 4.840 483 2HG2 THR 71 HG22 THR 71 3.102 -11.700 4.674 484 3HG2 THR 71 HG23 THR 71 2.432 -10.471 3.602 485 H LYS 72 HN LYS 72 4.995 -9.956 8.155 486 HA LYS 72 HA LYS 72 4.286 -7.945 10.063 487 1HB LYS 72 HB2 LYS 72 6.732 -9.451 9.333 488 2HB LYS 72 HB1 LYS 72 6.991 -7.879 10.075 489 1HG LYS 72 HG2 LYS 72 6.890 -9.049 11.985 490 2HG LYS 72 HG1 LYS 72 5.147 -8.901 11.757 491 1HD LYS 72 HD2 LYS 72 5.500 -11.182 12.190 492 2HD LYS 72 HD1 LYS 72 5.304 -11.084 10.440 493 1HE LYS 72 HE2 LYS 72 7.163 -12.558 11.076 494 2HE LYS 72 HE1 LYS 72 7.711 -11.171 10.137 495 1HZ LYS 72 HZ1 LYS 72 8.697 -10.210 11.972 496 2HZ LYS 72 HZ2 LYS 72 9.003 -11.851 12.242 497 3HZ LYS 72 HZ3 LYS 72 7.759 -11.074 13.085 498 H HIS 73 HN HIS 73 5.386 -5.822 10.210 499 HA HIS 73 HA HIS 73 4.921 -4.211 7.998 500 1HB HIS 73 HB2 HIS 73 5.148 -3.419 10.359 501 2HB HIS 73 HB1 HIS 73 6.890 -3.627 10.223 502 HD1 HIS 73 HD1 HIS 73 7.760 -1.301 10.217 503 HD2 HIS 73 HD2 HIS 73 4.518 -1.755 7.655 504 HE1 HIS 73 HE1 HIS 73 7.537 0.898 9.018 505 HE2 HIS 73 HE2 HIS 73 5.645 0.558 7.389 506 H LYS 74 HN LYS 74 8.044 -5.485 9.166 507 HA LYS 74 HA LYS 74 9.634 -4.354 7.129 508 1HB LYS 74 HB2 LYS 74 10.550 -5.246 9.242 509 2HB LYS 74 HB1 LYS 74 10.123 -6.874 8.734 510 1HG LYS 74 HG2 LYS 74 11.819 -5.367 6.858 511 2HG LYS 74 HG1 LYS 74 12.559 -5.772 8.409 512 1HD LYS 74 HD2 LYS 74 11.457 -8.140 7.840 513 2HD LYS 74 HD1 LYS 74 11.679 -7.541 6.195 514 1HE LYS 74 HE2 LYS 74 13.638 -8.755 6.727 515 2HE LYS 74 HE1 LYS 74 14.073 -7.050 6.828 516 1HZ LYS 74 HZ1 LYS 74 14.942 -8.388 8.684 517 2HZ LYS 74 HZ2 LYS 74 13.360 -8.744 9.161 518 3HZ LYS 74 HZ3 LYS 74 13.918 -7.148 9.209 519 H GLU 75 HN GLU 75 7.987 -7.477 7.394 520 HA GLU 75 HA GLU 75 8.989 -8.640 5.037 521 1HB GLU 75 HB2 GLU 75 7.687 -9.744 6.957 522 2HB GLU 75 HB1 GLU 75 6.238 -9.170 6.143 523 1HG GLU 75 HG2 GLU 75 6.269 -11.014 4.927 524 2HG GLU 75 HG1 GLU 75 7.743 -10.428 4.160 525 H ALA 76 HN ALA 76 6.173 -6.578 5.638 526 HA ALA 76 HA ALA 76 4.989 -6.809 3.093 527 1HB ALA 76 HB1 ALA 76 3.681 -4.889 3.678 528 2HB ALA 76 HB2 ALA 76 4.832 -4.426 4.931 529 3HB ALA 76 HB3 ALA 76 3.869 -5.892 5.116 530 H VAL 77 HN VAL 77 7.558 -4.725 4.306 531 HA VAL 77 HA VAL 77 7.622 -2.884 2.174 532 HB VAL 77 HB VAL 77 9.989 -3.811 3.818 533 1HG1 VAL 77 HG11 VAL 77 9.579 -1.108 2.568 534 2HG1 VAL 77 HG12 VAL 77 10.368 -2.429 1.707 535 3HG1 VAL 77 HG13 VAL 77 11.064 -1.813 3.206 536 1HG2 VAL 77 HG21 VAL 77 7.681 -2.699 4.815 537 2HG2 VAL 77 HG22 VAL 77 8.723 -1.295 4.584 538 3HG2 VAL 77 HG23 VAL 77 9.266 -2.642 5.584 539 H THR 78 HN THR 78 9.247 -5.992 2.675 540 HA THR 78 HA THR 78 10.810 -5.954 0.330 541 HB THR 78 HB THR 78 9.762 -8.521 1.473 542 HG1 THR 78 HG1 THR 78 10.357 -7.860 3.372 543 1HG2 THR 78 HG21 THR 78 11.445 -8.489 -0.377 544 2HG2 THR 78 HG22 THR 78 11.935 -9.361 1.075 545 3HG2 THR 78 HG23 THR 78 12.574 -7.748 0.757 546 H ILE 79 HN ILE 79 7.576 -7.271 1.004 547 HA ILE 79 HA ILE 79 7.147 -8.436 -1.527 548 HB ILE 79 HB ILE 79 5.022 -7.315 0.311 549 1HG1 ILE 79 HG12 ILE 79 5.756 -10.214 0.257 550 2HG1 ILE 79 HG11 ILE 79 6.779 -9.112 1.171 551 1HG2 ILE 79 HG21 ILE 79 4.925 -9.363 -1.900 552 2HG2 ILE 79 HG22 ILE 79 4.125 -7.792 -1.856 553 3HG2 ILE 79 HG23 ILE 79 3.611 -9.072 -0.759 554 1HD1 ILE 79 HD11 ILE 79 5.241 -8.812 2.785 555 2HD1 ILE 79 HD12 ILE 79 4.660 -10.373 2.205 556 3HD1 ILE 79 HD13 ILE 79 3.885 -8.886 1.660 557 H LEU 80 HN LEU 80 6.461 -5.185 -0.279 558 HA LEU 80 HA LEU 80 5.013 -4.209 -2.469 559 1HB LEU 80 HB2 LEU 80 6.455 -3.061 -0.186 560 2HB LEU 80 HB1 LEU 80 6.403 -2.013 -1.590 561 HG LEU 80 HG LEU 80 3.802 -3.184 -0.930 562 1HD1 LEU 80 HD11 LEU 80 4.588 -3.008 1.337 563 2HD1 LEU 80 HD12 LEU 80 3.438 -1.709 1.023 564 3HD1 LEU 80 HD13 LEU 80 5.168 -1.367 1.050 565 1HD2 LEU 80 HD21 LEU 80 3.433 -0.541 -0.931 566 2HD2 LEU 80 HD22 LEU 80 3.572 -1.482 -2.414 567 3HD2 LEU 80 HD23 LEU 80 4.968 -0.600 -1.797 568 H SER 81 HN SER 81 8.509 -4.307 -1.864 569 HA SER 81 HA SER 81 9.233 -2.871 -4.207 570 1HB SER 81 HB2 SER 81 10.712 -4.553 -2.221 571 2HB SER 81 HB1 SER 81 11.501 -4.128 -3.738 572 HG SER 81 HG SER 81 11.182 -1.943 -3.235 573 H GLN 82 HN GLN 82 8.458 -6.224 -3.603 574 HA GLN 82 HA GLN 82 9.712 -7.361 -5.866 575 1HB GLN 82 HB2 GLN 82 7.297 -8.260 -4.284 576 2HB GLN 82 HB1 GLN 82 8.050 -9.221 -5.549 577 1HG GLN 82 HG2 GLN 82 9.910 -8.271 -3.501 578 2HG GLN 82 HG1 GLN 82 8.654 -9.352 -2.900 579 1HE2 GLN 82 HE21 GLN 82 11.590 -9.697 -3.271 580 2HE2 GLN 82 HE22 GLN 82 11.754 -11.128 -4.225 581 H GLN 83 HN GLN 83 6.722 -5.598 -5.466 582 HA GLN 83 HA GLN 83 5.443 -6.422 -7.858 583 1HB GLN 83 HB2 GLN 83 5.067 -3.734 -6.545 584 2HB GLN 83 HB1 GLN 83 3.908 -4.653 -7.493 585 1HG GLN 83 HG2 GLN 83 4.883 -5.248 -4.712 586 2HG GLN 83 HG1 GLN 83 3.261 -4.770 -5.208 587 1HE2 GLN 83 HE21 GLN 83 4.405 -7.182 -3.799 588 2HE2 GLN 83 HE22 GLN 83 3.759 -8.525 -4.670 589 H ARG 84 HN ARG 84 6.098 -6.071 -9.872 590 HA ARG 84 HA ARG 84 7.659 -3.637 -10.457 591 1HB ARG 84 HB2 ARG 84 8.760 -5.942 -10.724 592 2HB ARG 84 HB1 ARG 84 7.700 -6.157 -12.109 593 1HG ARG 84 HG2 ARG 84 9.090 -5.021 -13.398 594 2HG ARG 84 HG1 ARG 84 9.008 -3.626 -12.323 595 1HD ARG 84 HD2 ARG 84 11.064 -4.018 -11.567 596 2HD ARG 84 HD1 ARG 84 10.644 -5.679 -11.155 597 HE ARG 84 HE ARG 84 12.118 -4.787 -13.437 598 1HH1 ARG 84 HH11 ARG 84 9.961 -7.299 -12.292 599 2HH1 ARG 84 HH12 ARG 84 10.546 -8.485 -13.410 600 1HH2 ARG 84 HH21 ARG 84 12.887 -6.355 -14.909 601 2HH2 ARG 84 HH22 ARG 84 12.209 -7.949 -14.897 602 H GLY 85 HN GLY 85 7.136 -2.397 -12.245 603 1HA GLY 85 HA2 GLY 85 5.785 -1.449 -13.836 604 2HA GLY 85 HA1 GLY 85 5.405 -3.093 -14.325 605 H GLU 86 HN GLU 86 3.392 -3.830 -14.009 606 HA GLU 86 HA GLU 86 1.412 -2.033 -12.944 607 1HB GLU 86 HB2 GLU 86 1.107 -3.572 -14.954 608 2HB GLU 86 HB1 GLU 86 0.969 -4.893 -13.802 609 1HG GLU 86 HG2 GLU 86 -0.865 -3.351 -12.734 610 2HG GLU 86 HG1 GLU 86 -0.902 -2.646 -14.349 611 H ILE 87 HN ILE 87 0.758 -1.949 -10.898 612 HA ILE 87 HA ILE 87 1.073 -4.353 -9.222 613 HB ILE 87 HB ILE 87 1.423 -1.556 -8.160 614 1HG1 ILE 87 HG12 ILE 87 3.603 -3.474 -9.026 615 2HG1 ILE 87 HG11 ILE 87 3.153 -2.000 -9.877 616 1HG2 ILE 87 HG21 ILE 87 0.912 -3.055 -6.423 617 2HG2 ILE 87 HG22 ILE 87 2.667 -2.879 -6.376 618 3HG2 ILE 87 HG23 ILE 87 1.944 -4.318 -7.096 619 1HD1 ILE 87 HD11 ILE 87 3.772 -1.543 -7.074 620 2HD1 ILE 87 HD12 ILE 87 4.368 -0.729 -8.520 621 3HD1 ILE 87 HD13 ILE 87 5.116 -2.233 -7.985 622 H GLU 88 HN GLU 88 -0.770 -5.022 -8.360 623 HA GLU 88 HA GLU 88 -3.092 -3.247 -8.339 624 1HB GLU 88 HB2 GLU 88 -2.853 -5.847 -9.088 625 2HB GLU 88 HB1 GLU 88 -3.369 -6.047 -7.419 626 1HG GLU 88 HG2 GLU 88 -5.293 -4.529 -7.923 627 2HG GLU 88 HG1 GLU 88 -4.811 -4.588 -9.617 628 H PHE 89 HN PHE 89 -3.744 -2.258 -6.524 629 HA PHE 89 HA PHE 89 -2.791 -3.330 -3.948 630 1HB PHE 89 HB2 PHE 89 -2.493 -0.734 -5.100 631 2HB PHE 89 HB1 PHE 89 -3.514 -0.593 -3.673 632 HD1 PHE 89 HD1 PHE 89 -2.639 -0.934 -1.483 633 HD2 PHE 89 HD2 PHE 89 -0.205 -1.601 -4.909 634 HE1 PHE 89 HE1 PHE 89 -0.646 -1.028 -0.044 635 HE2 PHE 89 HE2 PHE 89 1.792 -1.697 -3.477 636 HZ PHE 89 HZ PHE 89 1.572 -1.411 -1.040 637 H GLU 90 HN GLU 90 -4.231 -3.756 -2.389 638 HA GLU 90 HA GLU 90 -7.019 -2.903 -2.822 639 1HB GLU 90 HB2 GLU 90 -5.963 -5.532 -2.619 640 2HB GLU 90 HB1 GLU 90 -6.886 -5.231 -1.152 641 1HG GLU 90 HG2 GLU 90 -8.708 -4.369 -2.787 642 2HG GLU 90 HG1 GLU 90 -7.809 -5.290 -3.990 643 H VAL 91 HN VAL 91 -7.618 -1.457 -1.363 644 HA VAL 91 HA VAL 91 -6.788 -1.813 1.433 645 HB VAL 91 HB VAL 91 -6.534 0.687 1.616 646 1HG1 VAL 91 HG11 VAL 91 -4.440 -0.102 1.703 647 2HG1 VAL 91 HG12 VAL 91 -4.308 0.490 0.048 648 3HG1 VAL 91 HG13 VAL 91 -4.694 -1.204 0.350 649 1HG2 VAL 91 HG21 VAL 91 -5.999 1.900 -0.482 650 2HG2 VAL 91 HG22 VAL 91 -7.683 1.388 -0.375 651 3HG2 VAL 91 HG23 VAL 91 -6.554 0.495 -1.393 652 H VAL 92 HN VAL 92 -8.063 -0.300 2.910 653 HA VAL 92 HA VAL 92 -10.787 0.198 1.922 654 HB VAL 92 HB VAL 92 -10.224 -1.181 4.556 655 1HG1 VAL 92 HG11 VAL 92 -12.515 -1.322 4.874 656 2HG1 VAL 92 HG12 VAL 92 -12.871 -1.062 3.168 657 3HG1 VAL 92 HG13 VAL 92 -12.328 0.284 4.169 658 1HG2 VAL 92 HG21 VAL 92 -9.793 -2.948 3.203 659 2HG2 VAL 92 HG22 VAL 92 -10.697 -2.274 1.848 660 3HG2 VAL 92 HG23 VAL 92 -11.555 -3.045 3.181 661 H TYR 93 HN TYR 93 -11.655 2.078 2.648 662 HA TYR 93 HA TYR 93 -10.044 3.954 4.024 663 1HB TYR 93 HB2 TYR 93 -12.190 4.203 2.419 664 2HB TYR 93 HB1 TYR 93 -12.990 4.372 3.977 665 HD1 TYR 93 HD1 TYR 93 -10.798 5.828 5.464 666 HD2 TYR 93 HD2 TYR 93 -12.390 6.379 1.555 667 HE1 TYR 93 HE1 TYR 93 -10.137 8.192 5.534 668 HE2 TYR 93 HE2 TYR 93 -11.727 8.743 1.612 669 HH TYR 93 HH TYR 93 -9.745 10.069 3.067 670 H VAL 94 HN VAL 94 -9.607 4.024 6.129 671 HA VAL 94 HA VAL 94 -11.456 2.745 8.009 672 HB VAL 94 HB VAL 94 -9.113 2.001 8.092 673 1HG1 VAL 94 HG11 VAL 94 -8.444 4.787 9.028 674 2HG1 VAL 94 HG12 VAL 94 -8.076 4.149 7.427 675 3HG1 VAL 94 HG13 VAL 94 -7.334 3.428 8.854 676 1HG2 VAL 94 HG21 VAL 94 -10.062 3.491 10.534 677 2HG2 VAL 94 HG22 VAL 94 -8.783 2.278 10.527 678 3HG2 VAL 94 HG23 VAL 94 -10.432 1.823 10.097 679 H ALA 95 HN ALA 95 -12.694 3.897 9.330 680 HA ALA 95 HA ALA 95 -11.914 6.474 10.338 681 1HB ALA 95 HB1 ALA 95 -13.514 7.836 9.304 682 2HB ALA 95 HB2 ALA 95 -14.416 6.456 8.678 683 3HB ALA 95 HB3 ALA 95 -12.847 6.871 7.986 Start of MODEL 13 1 HT1 PRO 9 HT2 PRO 9 -17.676 -1.748 2.933 2 HT2 PRO 9 HT1 PRO 9 -16.055 -1.993 3.063 3 HA PRO 9 HA PRO 9 -17.352 -0.896 1.102 4 1HB PRO 9 HB2 PRO 9 -15.779 1.427 1.841 5 2HB PRO 9 HB1 PRO 9 -17.476 1.338 1.352 6 1HG PRO 9 HG2 PRO 9 -16.685 1.914 3.894 7 2HG PRO 9 HG1 PRO 9 -18.220 1.119 3.504 8 1HD PRO 9 HD2 PRO 9 -15.642 -0.096 4.454 9 2HD PRO 9 HD1 PRO 9 -17.304 -0.448 4.968 10 H ILE 10 HN ILE 10 -15.990 -2.422 0.149 11 HA ILE 10 HA ILE 10 -13.125 -2.225 0.397 12 HB ILE 10 HB ILE 10 -14.231 -4.411 0.104 13 1HG1 ILE 10 HG12 ILE 10 -12.773 -4.877 -2.182 14 2HG1 ILE 10 HG11 ILE 10 -12.033 -3.405 -1.563 15 1HG2 ILE 10 HG21 ILE 10 -15.802 -3.246 -1.736 16 2HG2 ILE 10 HG22 ILE 10 -15.549 -4.988 -1.633 17 3HG2 ILE 10 HG23 ILE 10 -14.628 -4.030 -2.793 18 1HD1 ILE 10 HD11 ILE 10 -11.854 -6.136 -0.598 19 2HD1 ILE 10 HD12 ILE 10 -12.240 -4.980 0.676 20 3HD1 ILE 10 HD13 ILE 10 -10.794 -4.757 -0.310 21 H ARG 11 HN ARG 11 -11.775 -1.075 -0.832 22 HA ARG 11 HA ARG 11 -12.817 0.074 -3.339 23 1HB ARG 11 HB2 ARG 11 -11.887 1.424 -1.093 24 2HB ARG 11 HB1 ARG 11 -10.527 1.475 -2.207 25 1HG ARG 11 HG2 ARG 11 -11.733 2.652 -3.818 26 2HG ARG 11 HG1 ARG 11 -13.287 2.233 -3.094 27 1HD ARG 11 HD2 ARG 11 -11.975 3.561 -1.064 28 2HD ARG 11 HD1 ARG 11 -11.481 4.443 -2.509 29 HE ARG 11 HE ARG 11 -14.037 4.497 -1.275 30 1HH1 ARG 11 HH11 ARG 11 -12.482 4.619 -4.410 31 2HH1 ARG 11 HH12 ARG 11 -13.768 5.509 -5.153 32 1HH2 ARG 11 HH21 ARG 11 -15.730 5.671 -2.257 33 2HH2 ARG 11 HH22 ARG 11 -15.614 6.108 -3.928 34 H LYS 12 HN LYS 12 -11.780 -0.398 -5.158 35 HA LYS 12 HA LYS 12 -9.253 -1.879 -4.986 36 1HB LYS 12 HB2 LYS 12 -11.156 -1.589 -7.322 37 2HB LYS 12 HB1 LYS 12 -9.746 -2.637 -7.260 38 1HG LYS 12 HG2 LYS 12 -12.184 -2.878 -5.508 39 2HG LYS 12 HG1 LYS 12 -11.828 -3.870 -6.922 40 1HD LYS 12 HD2 LYS 12 -9.699 -4.561 -5.775 41 2HD LYS 12 HD1 LYS 12 -10.294 -3.740 -4.330 42 1HE LYS 12 HE2 LYS 12 -10.793 -6.095 -4.177 43 2HE LYS 12 HE1 LYS 12 -12.293 -5.189 -4.370 44 1HZ LYS 12 HZ1 LYS 12 -11.002 -6.207 -6.790 45 2HZ LYS 12 HZ2 LYS 12 -12.646 -6.034 -6.433 46 3HZ LYS 12 HZ3 LYS 12 -11.773 -7.330 -5.786 47 H VAL 13 HN VAL 13 -7.427 -0.790 -5.349 48 HA VAL 13 HA VAL 13 -7.470 1.423 -7.299 49 HB VAL 13 HB VAL 13 -5.636 2.480 -5.880 50 1HG1 VAL 13 HG11 VAL 13 -8.448 2.316 -4.804 51 2HG1 VAL 13 HG12 VAL 13 -7.842 3.449 -6.012 52 3HG1 VAL 13 HG13 VAL 13 -7.263 3.541 -4.348 53 1HG2 VAL 13 HG21 VAL 13 -6.799 1.017 -3.557 54 2HG2 VAL 13 HG22 VAL 13 -5.236 1.818 -3.717 55 3HG2 VAL 13 HG23 VAL 13 -5.511 0.259 -4.491 56 H LEU 14 HN LEU 14 -6.000 1.271 -8.888 57 HA LEU 14 HA LEU 14 -3.886 -0.754 -8.610 58 1HB LEU 14 HB2 LEU 14 -5.646 -0.804 -10.504 59 2HB LEU 14 HB1 LEU 14 -4.716 0.508 -11.201 60 HG LEU 14 HG LEU 14 -2.736 -1.280 -10.765 61 1HD1 LEU 14 HD11 LEU 14 -3.494 -3.495 -11.391 62 2HD1 LEU 14 HD12 LEU 14 -5.164 -2.929 -11.455 63 3HD1 LEU 14 HD13 LEU 14 -4.304 -2.968 -9.916 64 1HD2 LEU 14 HD21 LEU 14 -2.585 -1.363 -13.033 65 2HD2 LEU 14 HD22 LEU 14 -3.745 -0.043 -12.891 66 3HD2 LEU 14 HD23 LEU 14 -4.307 -1.676 -13.250 67 H LEU 15 HN LEU 15 -1.886 -0.073 -8.278 68 HA LEU 15 HA LEU 15 -1.161 2.669 -9.078 69 1HB LEU 15 HB2 LEU 15 -1.037 1.711 -6.607 70 2HB LEU 15 HB1 LEU 15 0.496 1.079 -7.174 71 HG LEU 15 HG LEU 15 1.028 3.491 -7.885 72 1HD1 LEU 15 HD11 LEU 15 -0.209 5.073 -6.205 73 2HD1 LEU 15 HD12 LEU 15 -1.485 3.862 -6.325 74 3HD1 LEU 15 HD13 LEU 15 -0.921 4.695 -7.773 75 1HD2 LEU 15 HD21 LEU 15 2.208 3.728 -5.970 76 2HD2 LEU 15 HD22 LEU 15 1.662 2.073 -5.702 77 3HD2 LEU 15 HD23 LEU 15 0.812 3.416 -4.939 78 H LEU 16 HN LEU 16 0.553 3.023 -10.414 79 HA LEU 16 HA LEU 16 1.926 0.628 -11.441 80 1HB LEU 16 HB2 LEU 16 0.423 2.310 -12.884 81 2HB LEU 16 HB1 LEU 16 1.953 3.159 -12.992 82 HG LEU 16 HG LEU 16 2.082 0.273 -13.586 83 1HD1 LEU 16 HD11 LEU 16 0.005 0.645 -14.664 84 2HD1 LEU 16 HD12 LEU 16 1.244 0.689 -15.919 85 3HD1 LEU 16 HD13 LEU 16 0.543 2.192 -15.318 86 1HD2 LEU 16 HD21 LEU 16 3.671 0.958 -15.186 87 2HD2 LEU 16 HD22 LEU 16 3.939 1.990 -13.781 88 3HD2 LEU 16 HD23 LEU 16 3.075 2.617 -15.186 89 H LYS 17 HN LYS 17 3.936 0.423 -10.730 90 HA LYS 17 HA LYS 17 5.525 2.863 -10.268 91 1HB LYS 17 HB2 LYS 17 5.016 1.640 -8.192 92 2HB LYS 17 HB1 LYS 17 5.751 0.194 -8.865 93 1HG LYS 17 HG2 LYS 17 7.565 2.441 -8.970 94 2HG LYS 17 HG1 LYS 17 6.990 2.140 -7.329 95 1HD LYS 17 HD2 LYS 17 7.718 -0.292 -8.782 96 2HD LYS 17 HD1 LYS 17 9.063 0.829 -8.564 97 1HE LYS 17 HE2 LYS 17 7.258 -0.044 -6.315 98 2HE LYS 17 HE1 LYS 17 8.747 -0.889 -6.738 99 1HZ LYS 17 HZ1 LYS 17 8.513 1.940 -5.860 100 2HZ LYS 17 HZ2 LYS 17 9.953 1.208 -6.363 101 3HZ LYS 17 HZ3 LYS 17 9.168 0.659 -4.969 102 H GLU 18 HN GLU 18 7.406 3.068 -11.303 103 HA GLU 18 HA GLU 18 8.277 0.860 -13.034 104 1HB GLU 18 HB2 GLU 18 7.754 3.432 -13.704 105 2HB GLU 18 HB1 GLU 18 9.474 3.548 -13.359 106 1HG GLU 18 HG2 GLU 18 9.767 2.924 -15.472 107 2HG GLU 18 HG1 GLU 18 9.345 1.305 -14.917 108 H ASP 19 HN ASP 19 10.726 0.856 -13.441 109 HA ASP 19 HA ASP 19 12.077 0.226 -11.079 110 1HB ASP 19 HB2 ASP 19 13.291 0.997 -13.741 111 2HB ASP 19 HB1 ASP 19 14.112 0.133 -12.446 112 H HIS 20 HN HIS 20 12.000 3.218 -12.945 113 HA HIS 20 HA HIS 20 13.962 4.517 -11.275 114 1HB HIS 20 HB2 HIS 20 13.544 6.490 -12.654 115 2HB HIS 20 HB1 HIS 20 13.789 5.071 -13.665 116 HD1 HIS 20 HD1 HIS 20 11.347 7.719 -12.878 117 HD2 HIS 20 HD2 HIS 20 11.398 4.106 -14.929 118 HE1 HIS 20 HE1 HIS 20 9.244 7.699 -14.257 119 HE2 HIS 20 HE2 HIS 20 9.225 5.437 -15.368 120 H GLU 21 HN GLU 21 10.483 4.235 -11.342 121 HA GLU 21 HA GLU 21 10.117 6.485 -9.545 122 1HB GLU 21 HB2 GLU 21 8.392 4.842 -11.246 123 2HB GLU 21 HB1 GLU 21 7.683 5.203 -9.677 124 1HG GLU 21 HG2 GLU 21 8.875 7.361 -11.382 125 2HG GLU 21 HG1 GLU 21 7.222 6.802 -11.622 126 H GLY 22 HN GLY 22 9.134 6.320 -7.473 127 1HA GLY 22 HA2 GLY 22 9.789 3.785 -6.117 128 2HA GLY 22 HA1 GLY 22 9.771 5.365 -5.350 129 H LEU 23 HN LEU 23 8.379 4.698 -3.709 130 HA LEU 23 HA LEU 23 5.826 3.519 -4.310 131 1HB LEU 23 HB2 LEU 23 7.444 3.787 -2.028 132 2HB LEU 23 HB1 LEU 23 5.974 4.672 -1.667 133 HG LEU 23 HG LEU 23 4.736 2.547 -2.438 134 1HD1 LEU 23 HD11 LEU 23 7.144 1.689 -3.229 135 2HD1 LEU 23 HD12 LEU 23 5.847 0.600 -2.738 136 3HD1 LEU 23 HD13 LEU 23 7.123 1.022 -1.597 137 1HD2 LEU 23 HD21 LEU 23 4.945 1.555 -0.208 138 2HD2 LEU 23 HD22 LEU 23 4.806 3.311 -0.129 139 3HD2 LEU 23 HD23 LEU 23 6.376 2.541 0.093 140 H GLY 24 HN GLY 24 6.630 6.569 -2.615 141 1HA GLY 24 HA2 GLY 24 5.771 8.701 -3.178 142 2HA GLY 24 HA1 GLY 24 4.531 7.923 -4.145 143 H ILE 25 HN ILE 25 4.703 6.330 -1.196 144 HA ILE 25 HA ILE 25 2.874 8.167 0.164 145 HB ILE 25 HB ILE 25 1.368 6.213 0.721 146 1HG1 ILE 25 HG12 ILE 25 2.478 4.945 -1.772 147 2HG1 ILE 25 HG11 ILE 25 3.129 4.548 -0.185 148 1HG2 ILE 25 HG21 ILE 25 0.460 6.259 -1.805 149 2HG2 ILE 25 HG22 ILE 25 1.556 7.638 -1.852 150 3HG2 ILE 25 HG23 ILE 25 0.250 7.592 -0.670 151 1HD1 ILE 25 HD11 ILE 25 0.224 4.278 -0.902 152 2HD1 ILE 25 HD12 ILE 25 1.046 3.662 0.532 153 3HD1 ILE 25 HD13 ILE 25 1.401 2.974 -1.053 154 H SER 26 HN SER 26 2.662 7.809 2.418 155 HA SER 26 HA SER 26 4.814 6.148 3.555 156 1HB SER 26 HB2 SER 26 4.049 8.891 4.010 157 2HB SER 26 HB1 SER 26 3.919 7.975 5.512 158 HG SER 26 HG SER 26 6.016 7.857 5.591 159 H ILE 27 HN ILE 27 4.354 4.659 5.090 160 HA ILE 27 HA ILE 27 1.556 4.451 6.002 161 HB ILE 27 HB ILE 27 1.865 1.969 6.005 162 1HG1 ILE 27 HG12 ILE 27 4.323 2.619 4.358 163 2HG1 ILE 27 HG11 ILE 27 4.339 1.963 5.992 164 1HG2 ILE 27 HG21 ILE 27 0.892 3.493 4.091 165 2HG2 ILE 27 HG22 ILE 27 1.083 1.755 3.865 166 3HG2 ILE 27 HG23 ILE 27 2.278 2.866 3.197 167 1HD1 ILE 27 HD11 ILE 27 3.906 0.632 3.429 168 2HD1 ILE 27 HD12 ILE 27 2.779 0.155 4.698 169 3HD1 ILE 27 HD13 ILE 27 4.516 -0.005 4.956 170 H THR 28 HN THR 28 1.249 3.298 8.032 171 HA THR 28 HA THR 28 3.610 3.063 9.733 172 HB THR 28 HB THR 28 2.831 5.364 10.066 173 HG1 THR 28 HG1 THR 28 3.664 4.348 11.879 174 1HG2 THR 28 HG21 THR 28 0.395 4.849 9.542 175 2HG2 THR 28 HG22 THR 28 0.725 5.972 10.862 176 3HG2 THR 28 HG23 THR 28 0.276 4.304 11.215 177 H GLY 29 HN GLY 29 3.325 1.747 11.585 178 1HA GLY 29 HA2 GLY 29 1.685 0.532 13.007 179 2HA GLY 29 HA1 GLY 29 0.872 0.095 11.511 180 H GLY 30 HN GLY 30 1.060 -2.126 11.846 181 1HA GLY 30 HA2 GLY 30 3.004 -3.566 10.685 182 2HA GLY 30 HA1 GLY 30 3.683 -3.298 12.281 183 H LYS 31 HN LYS 31 1.783 -5.324 10.416 184 HA LYS 31 HA LYS 31 -0.134 -6.292 12.208 185 1HB LYS 31 HB2 LYS 31 1.314 -7.561 9.899 186 2HB LYS 31 HB1 LYS 31 0.156 -8.474 10.853 187 1HG LYS 31 HG2 LYS 31 -0.399 -5.963 9.287 188 2HG LYS 31 HG1 LYS 31 -0.897 -7.601 8.865 189 1HD LYS 31 HD2 LYS 31 -1.799 -6.011 11.269 190 2HD LYS 31 HD1 LYS 31 -2.757 -6.376 9.835 191 1HE LYS 31 HE2 LYS 31 -2.640 -8.759 10.353 192 2HE LYS 31 HE1 LYS 31 -1.652 -8.412 11.771 193 1HZ LYS 31 HZ1 LYS 31 -3.735 -6.879 12.298 194 2HZ LYS 31 HZ2 LYS 31 -3.668 -8.504 12.761 195 3HZ LYS 31 HZ3 LYS 31 -4.518 -8.057 11.369 196 H GLU 32 HN GLU 32 3.307 -6.908 12.001 197 HA GLU 32 HA GLU 32 3.483 -9.262 13.503 198 1HB GLU 32 HB2 GLU 32 5.325 -8.063 12.206 199 2HB GLU 32 HB1 GLU 32 5.493 -7.015 13.605 200 1HG GLU 32 HG2 GLU 32 5.638 -9.970 13.961 201 2HG GLU 32 HG1 GLU 32 7.026 -9.099 13.315 202 H HIS 33 HN HIS 33 3.024 -5.932 14.497 203 HA HIS 33 HA HIS 33 3.446 -6.528 17.304 204 1HB HIS 33 HB2 HIS 33 2.369 -3.982 16.081 205 2HB HIS 33 HB1 HIS 33 3.039 -4.187 17.694 206 HD1 HIS 33 HD1 HIS 33 5.692 -5.435 17.264 207 HD2 HIS 33 HD2 HIS 33 4.176 -2.571 14.662 208 HE1 HIS 33 HE1 HIS 33 7.695 -4.449 16.109 209 HE2 HIS 33 HE2 HIS 33 6.746 -2.797 14.461 210 H GLY 34 HN GLY 34 0.809 -6.367 15.062 211 1HA GLY 34 HA2 GLY 34 -1.213 -7.581 15.746 212 2HA GLY 34 HA1 GLY 34 -1.078 -6.775 17.299 213 H VAL 35 HN VAL 35 -0.497 -5.039 14.312 214 HA VAL 35 HA VAL 35 -3.186 -3.892 14.366 215 HB VAL 35 HB VAL 35 -2.205 -1.583 14.122 216 1HG1 VAL 35 HG11 VAL 35 -3.221 -1.894 16.163 217 2HG1 VAL 35 HG12 VAL 35 -1.577 -1.487 16.653 218 3HG1 VAL 35 HG13 VAL 35 -2.105 -3.169 16.647 219 1HG2 VAL 35 HG21 VAL 35 0.013 -1.637 13.689 220 2HG2 VAL 35 HG22 VAL 35 0.268 -3.126 14.597 221 3HG2 VAL 35 HG23 VAL 35 0.128 -1.588 15.448 222 HA PRO 36 HA PRO 36 -2.631 -4.253 9.974 223 1HB PRO 36 HB2 PRO 36 -4.672 -2.658 9.150 224 2HB PRO 36 HB1 PRO 36 -4.922 -4.279 9.807 225 1HG PRO 36 HG2 PRO 36 -5.191 -1.624 11.162 226 2HG PRO 36 HG1 PRO 36 -6.244 -3.046 11.266 227 1HD PRO 36 HD2 PRO 36 -4.425 -2.432 13.177 228 2HD PRO 36 HD1 PRO 36 -4.878 -4.104 12.789 229 H ILE 37 HN ILE 37 -1.933 -3.048 8.145 230 HA ILE 37 HA ILE 37 -0.519 -0.620 8.847 231 HB ILE 37 HB ILE 37 -0.622 -1.912 6.121 232 1HG1 ILE 37 HG12 ILE 37 0.090 -3.598 7.754 233 2HG1 ILE 37 HG11 ILE 37 1.438 -3.106 6.734 234 1HG2 ILE 37 HG21 ILE 37 0.284 0.292 6.052 235 2HG2 ILE 37 HG22 ILE 37 1.630 -0.841 5.928 236 3HG2 ILE 37 HG23 ILE 37 1.306 -0.021 7.455 237 1HD1 ILE 37 HD11 ILE 37 1.349 -3.190 9.518 238 2HD1 ILE 37 HD12 ILE 37 1.335 -1.479 9.096 239 3HD1 ILE 37 HD13 ILE 37 2.627 -2.523 8.504 240 H LEU 38 HN LEU 38 -1.230 1.380 8.495 241 HA LEU 38 HA LEU 38 -3.345 1.789 6.487 242 1HB LEU 38 HB2 LEU 38 -3.206 2.654 9.331 243 2HB LEU 38 HB1 LEU 38 -3.930 3.758 8.179 244 HG LEU 38 HG LEU 38 -5.022 1.123 7.806 245 1HD1 LEU 38 HD11 LEU 38 -4.706 0.491 10.000 246 2HD1 LEU 38 HD12 LEU 38 -6.294 1.256 10.068 247 3HD1 LEU 38 HD13 LEU 38 -4.866 2.138 10.610 248 1HD2 LEU 38 HD21 LEU 38 -6.513 3.451 8.938 249 2HD2 LEU 38 HD22 LEU 38 -7.027 2.259 7.744 250 3HD2 LEU 38 HD23 LEU 38 -5.888 3.525 7.290 251 H ILE 39 HN ILE 39 -3.271 3.680 5.290 252 HA ILE 39 HA ILE 39 -0.660 4.935 5.126 253 HB ILE 39 HB ILE 39 -3.100 5.540 3.449 254 1HG1 ILE 39 HG12 ILE 39 -0.863 3.668 2.678 255 2HG1 ILE 39 HG11 ILE 39 -2.327 3.090 3.467 256 1HG2 ILE 39 HG21 ILE 39 -0.167 6.121 3.150 257 2HG2 ILE 39 HG22 ILE 39 -1.518 7.254 3.164 258 3HG2 ILE 39 HG23 ILE 39 -1.286 6.178 1.787 259 1HD1 ILE 39 HD11 ILE 39 -1.943 4.153 0.724 260 2HD1 ILE 39 HD12 ILE 39 -3.502 4.391 1.513 261 3HD1 ILE 39 HD13 ILE 39 -2.870 2.761 1.280 262 H SER 40 HN SER 40 -0.154 6.740 6.171 263 HA SER 40 HA SER 40 -2.325 8.520 7.064 264 1HB SER 40 HB2 SER 40 -0.277 9.350 8.575 265 2HB SER 40 HB1 SER 40 -1.309 8.000 9.046 266 HG SER 40 HG SER 40 1.328 8.015 8.452 267 H GLU 41 HN GLU 41 0.840 8.448 5.481 268 HA GLU 41 HA GLU 41 0.446 11.270 4.719 269 1HB GLU 41 HB2 GLU 41 2.834 9.773 5.613 270 2HB GLU 41 HB1 GLU 41 3.086 10.877 4.269 271 1HG GLU 41 HG2 GLU 41 2.756 12.723 5.539 272 2HG GLU 41 HG1 GLU 41 1.597 11.923 6.601 273 H ILE 42 HN ILE 42 0.947 11.893 2.586 274 HA ILE 42 HA ILE 42 1.405 9.721 0.659 275 HB ILE 42 HB ILE 42 -0.626 11.909 0.189 276 1HG1 ILE 42 HG12 ILE 42 -1.246 9.014 0.798 277 2HG1 ILE 42 HG11 ILE 42 -1.247 10.264 2.037 278 1HG2 ILE 42 HG21 ILE 42 -1.276 9.947 -1.518 279 2HG2 ILE 42 HG22 ILE 42 0.461 9.667 -1.399 280 3HG2 ILE 42 HG23 ILE 42 -0.145 11.239 -1.917 281 1HD1 ILE 42 HD11 ILE 42 -2.995 11.460 0.822 282 2HD1 ILE 42 HD12 ILE 42 -3.490 9.821 1.242 283 3HD1 ILE 42 HD13 ILE 42 -2.996 10.198 -0.409 284 H HIS 43 HN HIS 43 3.244 10.196 -0.352 285 HA HIS 43 HA HIS 43 4.324 12.833 -0.467 286 1HB HIS 43 HB2 HIS 43 5.202 10.131 -1.112 287 2HB HIS 43 HB1 HIS 43 5.755 11.303 -2.301 288 HD1 HIS 43 HD1 HIS 43 7.064 13.438 -1.198 289 HD2 HIS 43 HD2 HIS 43 6.740 10.003 1.118 290 HE1 HIS 43 HE1 HIS 43 8.823 13.661 0.585 291 HE2 HIS 43 HE2 HIS 43 8.665 11.531 1.923 292 HA PRO 44 HA PRO 44 2.243 14.043 -4.232 293 1HB PRO 44 HB2 PRO 44 3.353 16.477 -4.489 294 2HB PRO 44 HB1 PRO 44 2.147 16.126 -3.245 295 1HG PRO 44 HG2 PRO 44 5.129 16.273 -3.005 296 2HG PRO 44 HG1 PRO 44 3.887 16.920 -1.917 297 1HD PRO 44 HD2 PRO 44 5.212 14.581 -1.458 298 2HD PRO 44 HD1 PRO 44 3.565 14.899 -0.882 299 H GLY 45 HN GLY 45 2.816 14.753 -6.431 300 1HA GLY 45 HA2 GLY 45 4.065 14.670 -8.357 301 2HA GLY 45 HA1 GLY 45 5.502 14.794 -7.355 302 H GLN 46 HN GLN 46 3.266 12.215 -6.771 303 HA GLN 46 HA GLN 46 4.981 10.330 -8.235 304 1HB GLN 46 HB2 GLN 46 4.512 10.499 -5.355 305 2HB GLN 46 HB1 GLN 46 4.124 8.914 -6.008 306 1HG GLN 46 HG2 GLN 46 6.378 8.840 -5.311 307 2HG GLN 46 HG1 GLN 46 6.388 8.897 -7.074 308 1HE2 GLN 46 HE21 GLN 46 6.330 11.187 -4.355 309 2HE2 GLN 46 HE22 GLN 46 7.542 12.238 -4.996 310 HA PRO 47 HA PRO 47 1.405 8.185 -9.728 311 1HB PRO 47 HB2 PRO 47 2.002 5.831 -8.010 312 2HB PRO 47 HB1 PRO 47 1.738 5.911 -9.756 313 1HG PRO 47 HG2 PRO 47 4.187 5.592 -8.788 314 2HG PRO 47 HG1 PRO 47 3.901 6.654 -10.179 315 1HD PRO 47 HD2 PRO 47 4.406 7.369 -7.318 316 2HD PRO 47 HD1 PRO 47 4.971 8.170 -8.799 317 H ALA 48 HN ALA 48 1.851 8.263 -6.252 318 HA ALA 48 HA ALA 48 -0.600 7.224 -5.408 319 1HB ALA 48 HB1 ALA 48 1.073 9.359 -4.096 320 2HB ALA 48 HB2 ALA 48 1.273 7.617 -3.902 321 3HB ALA 48 HB3 ALA 48 -0.190 8.408 -3.315 322 H ASP 49 HN ASP 49 0.262 10.631 -6.127 323 HA ASP 49 HA ASP 49 -2.362 11.595 -5.530 324 1HB ASP 49 HB2 ASP 49 -1.599 13.702 -6.655 325 2HB ASP 49 HB1 ASP 49 -0.549 13.155 -5.352 326 H ARG 50 HN ARG 50 -0.704 10.582 -8.472 327 HA ARG 50 HA ARG 50 -2.717 11.407 -10.290 328 1HB ARG 50 HB2 ARG 50 -0.674 9.197 -10.601 329 2HB ARG 50 HB1 ARG 50 -1.619 9.909 -11.899 330 1HG ARG 50 HG2 ARG 50 -0.437 12.107 -10.786 331 2HG ARG 50 HG1 ARG 50 0.809 10.872 -10.597 332 1HD ARG 50 HD2 ARG 50 -0.606 11.224 -13.216 333 2HD ARG 50 HD1 ARG 50 0.735 12.280 -12.774 334 HE ARG 50 HE ARG 50 1.506 9.600 -12.408 335 1HH1 ARG 50 HH11 ARG 50 0.792 11.856 -14.986 336 2HH1 ARG 50 HH12 ARG 50 1.840 11.079 -16.124 337 1HH2 ARG 50 HH21 ARG 50 2.886 8.577 -13.915 338 2HH2 ARG 50 HH22 ARG 50 3.027 9.219 -15.517 339 H CYS 51 HN CYS 51 -2.355 8.600 -8.237 340 HA CYS 51 HA CYS 51 -4.206 6.921 -9.598 341 1HB CYS 51 HB2 CYS 51 -2.433 6.250 -7.856 342 2HB CYS 51 HB1 CYS 51 -3.607 6.764 -6.648 343 HG CYS 51 HG CYS 51 -3.671 4.119 -7.347 344 H GLY 52 HN GLY 52 -4.552 9.494 -7.252 345 1HA GLY 52 HA2 GLY 52 -6.466 10.640 -6.648 346 2HA GLY 52 HA1 GLY 52 -7.399 9.548 -7.658 347 H GLY 53 HN GLY 53 -7.298 7.161 -6.677 348 1HA GLY 53 HA2 GLY 53 -8.879 7.130 -4.397 349 2HA GLY 53 HA1 GLY 53 -7.984 5.748 -5.006 350 H LEU 54 HN LEU 54 -5.388 7.238 -4.598 351 HA LEU 54 HA LEU 54 -4.807 6.261 -2.011 352 1HB LEU 54 HB2 LEU 54 -3.309 6.958 -4.163 353 2HB LEU 54 HB1 LEU 54 -3.030 8.344 -3.127 354 HG LEU 54 HG LEU 54 -1.263 6.777 -2.764 355 1HD1 LEU 54 HD11 LEU 54 -1.418 6.412 -0.398 356 2HD1 LEU 54 HD12 LEU 54 -3.176 6.534 -0.449 357 3HD1 LEU 54 HD13 LEU 54 -2.182 7.951 -0.787 358 1HD2 LEU 54 HD21 LEU 54 -2.104 4.495 -1.675 359 2HD2 LEU 54 HD22 LEU 54 -1.850 4.683 -3.409 360 3HD2 LEU 54 HD23 LEU 54 -3.476 4.808 -2.738 361 H HIS 55 HN HIS 55 -6.168 7.169 -0.504 362 HA HIS 55 HA HIS 55 -5.817 10.053 0.008 363 1HB HIS 55 HB2 HIS 55 -8.068 10.008 1.047 364 2HB HIS 55 HB1 HIS 55 -8.106 9.583 -0.660 365 HD1 HIS 55 HD1 HIS 55 -7.871 7.667 2.638 366 HD2 HIS 55 HD2 HIS 55 -9.667 7.424 -1.101 367 HE1 HIS 55 HE1 HIS 55 -9.247 5.570 2.689 368 HE2 HIS 55 HE2 HIS 55 -10.212 5.370 0.374 369 H VAL 56 HN VAL 56 -5.904 10.723 2.261 370 HA VAL 56 HA VAL 56 -4.276 9.155 3.938 371 HB VAL 56 HB VAL 56 -4.981 10.814 5.722 372 1HG1 VAL 56 HG11 VAL 56 -2.998 11.485 4.889 373 2HG1 VAL 56 HG12 VAL 56 -3.970 12.777 4.187 374 3HG1 VAL 56 HG13 VAL 56 -3.540 11.370 3.215 375 1HG2 VAL 56 HG21 VAL 56 -7.137 11.287 4.174 376 2HG2 VAL 56 HG22 VAL 56 -6.084 12.608 3.668 377 3HG2 VAL 56 HG23 VAL 56 -6.514 12.425 5.368 378 H GLY 57 HN GLY 57 -4.725 7.818 5.639 379 1HA GLY 57 HA2 GLY 57 -5.985 6.660 7.209 380 2HA GLY 57 HA1 GLY 57 -7.400 7.572 6.710 381 H ASP 58 HN ASP 58 -5.203 5.476 4.846 382 HA ASP 58 HA ASP 58 -7.554 3.873 4.068 383 1HB ASP 58 HB2 ASP 58 -5.693 5.202 2.460 384 2HB ASP 58 HB1 ASP 58 -5.225 3.509 2.366 385 H ALA 59 HN ALA 59 -7.603 1.771 4.637 386 HA ALA 59 HA ALA 59 -5.237 0.634 5.929 387 1HB ALA 59 HB1 ALA 59 -7.752 -0.916 5.849 388 2HB ALA 59 HB2 ALA 59 -7.792 0.606 6.738 389 3HB ALA 59 HB3 ALA 59 -6.627 -0.642 7.179 390 H ILE 60 HN ILE 60 -3.959 -0.801 4.951 391 HA ILE 60 HA ILE 60 -4.586 -1.739 2.296 392 HB ILE 60 HB ILE 60 -2.210 -2.496 4.000 393 1HG1 ILE 60 HG12 ILE 60 -1.734 -0.537 1.892 394 2HG1 ILE 60 HG11 ILE 60 -2.849 0.063 3.116 395 1HG2 ILE 60 HG21 ILE 60 -1.174 -2.794 1.698 396 2HG2 ILE 60 HG22 ILE 60 -2.819 -2.720 1.067 397 3HG2 ILE 60 HG23 ILE 60 -2.366 -3.995 2.197 398 1HD1 ILE 60 HD11 ILE 60 -0.569 0.668 3.651 399 2HD1 ILE 60 HD12 ILE 60 -0.091 -1.029 3.614 400 3HD1 ILE 60 HD13 ILE 60 -1.208 -0.454 4.852 401 H LEU 61 HN LEU 61 -5.158 -3.744 1.654 402 HA LEU 61 HA LEU 61 -5.540 -5.781 3.753 403 1HB LEU 61 HB2 LEU 61 -7.168 -5.268 1.262 404 2HB LEU 61 HB1 LEU 61 -7.376 -6.664 2.302 405 HG LEU 61 HG LEU 61 -7.769 -3.798 3.173 406 1HD1 LEU 61 HD11 LEU 61 -9.629 -4.041 1.907 407 2HD1 LEU 61 HD12 LEU 61 -10.205 -4.881 3.347 408 3HD1 LEU 61 HD13 LEU 61 -9.584 -5.803 1.978 409 1HD2 LEU 61 HD21 LEU 61 -8.350 -6.408 4.570 410 2HD2 LEU 61 HD22 LEU 61 -8.792 -4.807 5.162 411 3HD2 LEU 61 HD23 LEU 61 -7.093 -5.249 5.002 412 H ALA 62 HN ALA 62 -4.994 -5.411 0.232 413 HA ALA 62 HA ALA 62 -3.055 -7.587 0.343 414 1HB ALA 62 HB1 ALA 62 -4.280 -8.399 -1.884 415 2HB ALA 62 HB2 ALA 62 -5.678 -7.755 -1.022 416 3HB ALA 62 HB3 ALA 62 -4.695 -9.021 -0.287 417 H VAL 63 HN VAL 63 -1.680 -7.717 -1.533 418 HA VAL 63 HA VAL 63 -1.786 -5.418 -3.356 419 HB VAL 63 HB VAL 63 0.774 -6.260 -1.988 420 1HG1 VAL 63 HG11 VAL 63 1.748 -4.332 -2.986 421 2HG1 VAL 63 HG12 VAL 63 0.181 -3.756 -3.553 422 3HG1 VAL 63 HG13 VAL 63 0.897 -5.203 -4.262 423 1HG2 VAL 63 HG21 VAL 63 -0.686 -5.302 -0.314 424 2HG2 VAL 63 HG22 VAL 63 -1.027 -3.923 -1.359 425 3HG2 VAL 63 HG23 VAL 63 0.595 -4.156 -0.709 426 H ASN 64 HN ASN 64 -1.812 -6.223 -5.350 427 HA ASN 64 HA ASN 64 -1.474 -7.559 -7.159 428 1HB ASN 64 HB2 ASN 64 0.928 -6.720 -6.456 429 2HB ASN 64 HB1 ASN 64 1.181 -8.421 -6.083 430 1HD2 ASN 64 HD21 ASN 64 1.790 -6.249 -8.342 431 2HD2 ASN 64 HD22 ASN 64 1.704 -7.219 -9.769 432 H GLY 65 HN GLY 65 -2.951 -8.773 -5.148 433 1HA GLY 65 HA2 GLY 65 -3.841 -10.863 -4.759 434 2HA GLY 65 HA1 GLY 65 -2.632 -11.533 -5.838 435 H VAL 66 HN VAL 66 -0.989 -9.735 -3.566 436 HA VAL 66 HA VAL 66 -0.336 -12.146 -2.044 437 HB VAL 66 HB VAL 66 1.107 -9.489 -2.026 438 1HG1 VAL 66 HG11 VAL 66 2.649 -10.409 -0.662 439 2HG1 VAL 66 HG12 VAL 66 2.508 -12.005 -1.398 440 3HG1 VAL 66 HG13 VAL 66 1.315 -11.472 -0.214 441 1HG2 VAL 66 HG21 VAL 66 2.349 -11.762 -3.414 442 2HG2 VAL 66 HG22 VAL 66 2.304 -10.053 -3.846 443 3HG2 VAL 66 HG23 VAL 66 0.926 -11.091 -4.211 444 H ASN 67 HN ASN 67 -1.129 -12.434 -0.070 445 HA ASN 67 HA ASN 67 -2.796 -10.537 1.204 446 1HB ASN 67 HB2 ASN 67 -2.541 -13.204 1.426 447 2HB ASN 67 HB1 ASN 67 -1.604 -12.720 2.836 448 1HD2 ASN 67 HD21 ASN 67 -2.723 -12.575 4.641 449 2HD2 ASN 67 HD22 ASN 67 -4.409 -12.224 4.770 450 H LEU 68 HN LEU 68 -2.347 -8.934 2.582 451 HA LEU 68 HA LEU 68 0.419 -8.670 3.541 452 1HB LEU 68 HB2 LEU 68 -0.890 -6.869 2.140 453 2HB LEU 68 HB1 LEU 68 -1.567 -6.448 3.702 454 HG LEU 68 HG LEU 68 1.008 -6.420 4.391 455 1HD1 LEU 68 HD11 LEU 68 0.981 -6.262 1.436 456 2HD1 LEU 68 HD12 LEU 68 2.213 -6.888 2.531 457 3HD1 LEU 68 HD13 LEU 68 2.042 -5.148 2.297 458 1HD2 LEU 68 HD21 LEU 68 0.158 -4.013 2.889 459 2HD2 LEU 68 HD22 LEU 68 0.783 -4.166 4.530 460 3HD2 LEU 68 HD23 LEU 68 -0.899 -4.570 4.186 461 H ARG 69 HN ARG 69 -2.763 -9.308 4.645 462 HA ARG 69 HA ARG 69 -2.696 -8.201 7.219 463 1HB ARG 69 HB2 ARG 69 -4.635 -9.351 5.900 464 2HB ARG 69 HB1 ARG 69 -4.052 -10.818 6.672 465 1HG ARG 69 HG2 ARG 69 -4.267 -9.528 8.871 466 2HG ARG 69 HG1 ARG 69 -5.227 -8.373 7.945 467 1HD ARG 69 HD2 ARG 69 -5.886 -11.278 7.771 468 2HD ARG 69 HD1 ARG 69 -6.364 -10.379 9.208 469 HE ARG 69 HE ARG 69 -7.889 -9.180 7.943 470 1HH1 ARG 69 HH11 ARG 69 -5.975 -11.252 5.866 471 2HH1 ARG 69 HH12 ARG 69 -7.011 -11.046 4.496 472 1HH2 ARG 69 HH21 ARG 69 -9.253 -8.916 6.135 473 2HH2 ARG 69 HH22 ARG 69 -8.874 -9.719 4.648 474 H ASP 70 HN ASP 70 -1.306 -11.176 5.952 475 HA ASP 70 HA ASP 70 -0.482 -11.988 8.644 476 1HB ASP 70 HB2 ASP 70 0.238 -14.106 7.539 477 2HB ASP 70 HB1 ASP 70 -1.478 -13.760 7.353 478 H THR 71 HN THR 71 0.758 -9.900 6.516 479 HA THR 71 HA THR 71 3.516 -10.883 6.715 480 HB THR 71 HB THR 71 4.114 -9.327 4.998 481 HG1 THR 71 HG1 THR 71 1.635 -8.159 5.589 482 1HG2 THR 71 HG21 THR 71 2.324 -9.770 3.206 483 2HG2 THR 71 HG22 THR 71 1.583 -10.799 4.432 484 3HG2 THR 71 HG23 THR 71 3.223 -11.132 3.877 485 H LYS 72 HN LYS 72 5.169 -9.612 7.582 486 HA LYS 72 HA LYS 72 4.334 -7.861 9.726 487 1HB LYS 72 HB2 LYS 72 7.050 -8.844 8.835 488 2HB LYS 72 HB1 LYS 72 6.811 -7.774 10.208 489 1HG LYS 72 HG2 LYS 72 6.838 -9.737 11.324 490 2HG LYS 72 HG1 LYS 72 5.122 -9.710 10.913 491 1HD LYS 72 HD2 LYS 72 5.943 -11.881 10.380 492 2HD LYS 72 HD1 LYS 72 5.692 -11.032 8.855 493 1HE LYS 72 HE2 LYS 72 7.768 -11.764 8.390 494 2HE LYS 72 HE1 LYS 72 8.265 -10.380 9.360 495 1HZ LYS 72 HZ1 LYS 72 8.895 -11.692 11.079 496 2HZ LYS 72 HZ2 LYS 72 9.134 -12.812 9.835 497 3HZ LYS 72 HZ3 LYS 72 7.729 -12.881 10.773 498 H HIS 73 HN HIS 73 5.374 -5.722 10.064 499 HA HIS 73 HA HIS 73 4.925 -3.970 7.955 500 1HB HIS 73 HB2 HIS 73 5.053 -3.299 10.347 501 2HB HIS 73 HB1 HIS 73 6.798 -3.510 10.289 502 HD1 HIS 73 HD1 HIS 73 8.176 -1.678 9.129 503 HD2 HIS 73 HD2 HIS 73 4.078 -0.996 9.040 504 HE1 HIS 73 HE1 HIS 73 7.907 0.705 8.373 505 HE2 HIS 73 HE2 HIS 73 5.418 1.072 8.254 506 H LYS 74 HN LYS 74 8.048 -5.235 9.127 507 HA LYS 74 HA LYS 74 9.626 -3.932 7.168 508 1HB LYS 74 HB2 LYS 74 10.117 -5.491 9.426 509 2HB LYS 74 HB1 LYS 74 10.753 -6.450 8.099 510 1HG LYS 74 HG2 LYS 74 11.491 -3.602 8.059 511 2HG LYS 74 HG1 LYS 74 12.143 -4.543 9.401 512 1HD LYS 74 HD2 LYS 74 12.320 -5.720 6.678 513 2HD LYS 74 HD1 LYS 74 13.384 -4.363 7.053 514 1HE LYS 74 HE2 LYS 74 13.158 -6.760 8.855 515 2HE LYS 74 HE1 LYS 74 14.271 -6.722 7.489 516 1HZ LYS 74 HZ1 LYS 74 15.620 -5.241 8.509 517 2HZ LYS 74 HZ2 LYS 74 14.959 -5.926 9.906 518 3HZ LYS 74 HZ3 LYS 74 14.362 -4.455 9.323 519 H GLU 75 HN GLU 75 8.131 -7.135 7.313 520 HA GLU 75 HA GLU 75 9.290 -8.178 4.961 521 1HB GLU 75 HB2 GLU 75 7.712 -9.192 6.940 522 2HB GLU 75 HB1 GLU 75 6.564 -9.092 5.613 523 1HG GLU 75 HG2 GLU 75 8.421 -10.282 4.252 524 2HG GLU 75 HG1 GLU 75 9.056 -10.717 5.839 525 H ALA 76 HN ALA 76 6.337 -6.316 5.536 526 HA ALA 76 HA ALA 76 5.222 -6.584 2.963 527 1HB ALA 76 HB1 ALA 76 3.961 -5.781 4.916 528 2HB ALA 76 HB2 ALA 76 3.831 -4.685 3.540 529 3HB ALA 76 HB3 ALA 76 4.895 -4.285 4.889 530 H VAL 77 HN VAL 77 7.615 -4.356 4.279 531 HA VAL 77 HA VAL 77 7.634 -2.484 2.178 532 HB VAL 77 HB VAL 77 10.005 -3.298 3.874 533 1HG1 VAL 77 HG11 VAL 77 11.110 -1.492 3.097 534 2HG1 VAL 77 HG12 VAL 77 9.650 -0.510 2.988 535 3HG1 VAL 77 HG13 VAL 77 10.027 -1.674 1.718 536 1HG2 VAL 77 HG21 VAL 77 7.601 -2.335 4.819 537 2HG2 VAL 77 HG22 VAL 77 8.584 -0.880 4.663 538 3HG2 VAL 77 HG23 VAL 77 9.156 -2.229 5.644 539 H THR 78 HN THR 78 9.409 -5.513 2.667 540 HA THR 78 HA THR 78 11.059 -5.327 0.388 541 HB THR 78 HB THR 78 10.137 -8.013 1.287 542 HG1 THR 78 HG1 THR 78 11.639 -6.258 2.936 543 1HG2 THR 78 HG21 THR 78 12.100 -7.513 -0.286 544 2HG2 THR 78 HG22 THR 78 12.338 -8.671 1.023 545 3HG2 THR 78 HG23 THR 78 12.955 -7.026 1.178 546 H ILE 79 HN ILE 79 7.875 -6.824 0.891 547 HA ILE 79 HA ILE 79 7.602 -7.909 -1.700 548 HB ILE 79 HB ILE 79 5.352 -6.995 0.100 549 1HG1 ILE 79 HG12 ILE 79 6.404 -9.810 -0.027 550 2HG1 ILE 79 HG11 ILE 79 7.130 -8.637 1.066 551 1HG2 ILE 79 HG21 ILE 79 3.970 -8.519 -1.098 552 2HG2 ILE 79 HG22 ILE 79 5.352 -9.184 -1.969 553 3HG2 ILE 79 HG23 ILE 79 4.817 -7.535 -2.292 554 1HD1 ILE 79 HD11 ILE 79 4.480 -9.942 1.170 555 2HD1 ILE 79 HD12 ILE 79 4.597 -8.284 1.757 556 3HD1 ILE 79 HD13 ILE 79 5.604 -9.545 2.468 557 H LEU 80 HN LEU 80 6.498 -4.818 -0.314 558 HA LEU 80 HA LEU 80 5.119 -3.838 -2.523 559 1HB LEU 80 HB2 LEU 80 6.388 -2.667 -0.136 560 2HB LEU 80 HB1 LEU 80 6.189 -1.564 -1.483 561 HG LEU 80 HG LEU 80 3.802 -3.156 -0.775 562 1HD1 LEU 80 HD11 LEU 80 3.354 -1.304 1.010 563 2HD1 LEU 80 HD12 LEU 80 5.114 -1.252 1.108 564 3HD1 LEU 80 HD13 LEU 80 4.257 -2.756 1.441 565 1HD2 LEU 80 HD21 LEU 80 4.306 -1.052 -2.413 566 2HD2 LEU 80 HD22 LEU 80 3.712 -0.226 -0.973 567 3HD2 LEU 80 HD23 LEU 80 2.719 -1.452 -1.759 568 H SER 81 HN SER 81 8.583 -3.664 -1.772 569 HA SER 81 HA SER 81 9.278 -2.006 -3.965 570 1HB SER 81 HB2 SER 81 10.629 -2.872 -1.781 571 2HB SER 81 HB1 SER 81 11.315 -3.931 -3.013 572 HG SER 81 HG SER 81 11.666 -1.246 -2.620 573 H GLN 82 HN GLN 82 8.922 -5.484 -3.588 574 HA GLN 82 HA GLN 82 10.168 -6.258 -6.006 575 1HB GLN 82 HB2 GLN 82 7.991 -7.669 -4.450 576 2HB GLN 82 HB1 GLN 82 8.976 -8.392 -5.713 577 1HG GLN 82 HG2 GLN 82 10.535 -7.164 -3.574 578 2HG GLN 82 HG1 GLN 82 9.496 -8.480 -3.034 579 1HE2 GLN 82 HE21 GLN 82 11.257 -9.809 -2.584 580 2HE2 GLN 82 HE22 GLN 82 12.194 -10.547 -3.835 581 H GLN 83 HN GLN 83 7.031 -4.924 -5.319 582 HA GLN 83 HA GLN 83 5.625 -5.848 -7.582 583 1HB GLN 83 HB2 GLN 83 5.183 -3.176 -6.248 584 2HB GLN 83 HB1 GLN 83 4.010 -4.161 -7.107 585 1HG GLN 83 HG2 GLN 83 5.268 -4.758 -4.441 586 2HG GLN 83 HG1 GLN 83 3.596 -4.299 -4.751 587 1HE2 GLN 83 HE21 GLN 83 5.874 -6.852 -4.638 588 2HE2 GLN 83 HE22 GLN 83 4.795 -8.135 -5.054 589 H ARG 84 HN ARG 84 6.492 -5.644 -9.558 590 HA ARG 84 HA ARG 84 7.512 -3.003 -10.374 591 1HB ARG 84 HB2 ARG 84 8.148 -5.747 -11.477 592 2HB ARG 84 HB1 ARG 84 8.739 -4.236 -12.154 593 1HG ARG 84 HG2 ARG 84 9.271 -5.050 -9.314 594 2HG ARG 84 HG1 ARG 84 10.325 -5.504 -10.655 595 1HD ARG 84 HD2 ARG 84 11.112 -3.392 -10.933 596 2HD ARG 84 HD1 ARG 84 9.589 -2.646 -10.448 597 HE ARG 84 HE ARG 84 10.926 -3.925 -8.266 598 1HH1 ARG 84 HH11 ARG 84 10.805 -0.997 -10.178 599 2HH1 ARG 84 HH12 ARG 84 11.495 -0.009 -8.935 600 1HH2 ARG 84 HH21 ARG 84 11.831 -2.621 -6.629 601 2HH2 ARG 84 HH22 ARG 84 12.081 -0.932 -6.919 602 H GLY 85 HN GLY 85 7.036 -2.266 -12.524 603 1HA GLY 85 HA2 GLY 85 5.650 -1.851 -14.304 604 2HA GLY 85 HA1 GLY 85 5.239 -3.560 -14.272 605 H GLU 86 HN GLU 86 3.282 -4.176 -13.529 606 HA GLU 86 HA GLU 86 1.458 -2.045 -12.694 607 1HB GLU 86 HB2 GLU 86 0.871 -3.551 -14.624 608 2HB GLU 86 HB1 GLU 86 0.774 -4.882 -13.480 609 1HG GLU 86 HG2 GLU 86 -0.814 -2.760 -12.476 610 2HG GLU 86 HG1 GLU 86 -1.217 -2.987 -14.177 611 H ILE 87 HN ILE 87 0.647 -1.921 -10.690 612 HA ILE 87 HA ILE 87 1.048 -4.215 -8.879 613 HB ILE 87 HB ILE 87 1.199 -1.347 -7.966 614 1HG1 ILE 87 HG12 ILE 87 3.512 -3.171 -8.675 615 2HG1 ILE 87 HG11 ILE 87 3.010 -1.757 -9.596 616 1HG2 ILE 87 HG21 ILE 87 0.679 -2.938 -6.234 617 2HG2 ILE 87 HG22 ILE 87 2.338 -2.375 -6.024 618 3HG2 ILE 87 HG23 ILE 87 2.027 -3.965 -6.720 619 1HD1 ILE 87 HD11 ILE 87 3.643 -0.292 -7.838 620 2HD1 ILE 87 HD12 ILE 87 4.979 -1.410 -8.111 621 3HD1 ILE 87 HD13 ILE 87 3.906 -1.639 -6.732 622 H GLU 88 HN GLU 88 -0.802 -4.941 -8.048 623 HA GLU 88 HA GLU 88 -3.192 -3.266 -8.198 624 1HB GLU 88 HB2 GLU 88 -3.132 -5.665 -9.038 625 2HB GLU 88 HB1 GLU 88 -3.037 -6.159 -7.353 626 1HG GLU 88 HG2 GLU 88 -5.199 -5.659 -6.934 627 2HG GLU 88 HG1 GLU 88 -5.221 -4.303 -8.062 628 H PHE 89 HN PHE 89 -3.925 -2.198 -6.461 629 HA PHE 89 HA PHE 89 -3.056 -3.133 -3.803 630 1HB PHE 89 HB2 PHE 89 -2.761 -0.582 -5.041 631 2HB PHE 89 HB1 PHE 89 -3.875 -0.404 -3.690 632 HD1 PHE 89 HD1 PHE 89 -0.465 -0.671 -4.674 633 HD2 PHE 89 HD2 PHE 89 -3.133 -1.319 -1.421 634 HE1 PHE 89 HE1 PHE 89 1.436 -0.644 -3.113 635 HE2 PHE 89 HE2 PHE 89 -1.237 -1.291 0.145 636 HZ PHE 89 HZ PHE 89 1.051 -0.953 -0.700 637 H GLU 90 HN GLU 90 -4.547 -3.507 -2.277 638 HA GLU 90 HA GLU 90 -7.333 -2.746 -2.859 639 1HB GLU 90 HB2 GLU 90 -6.427 -5.306 -2.868 640 2HB GLU 90 HB1 GLU 90 -6.886 -5.138 -1.179 641 1HG GLU 90 HG2 GLU 90 -9.128 -4.341 -1.970 642 2HG GLU 90 HG1 GLU 90 -8.633 -4.795 -3.600 643 H VAL 91 HN VAL 91 -8.005 -1.285 -1.442 644 HA VAL 91 HA VAL 91 -7.292 -1.608 1.388 645 HB VAL 91 HB VAL 91 -6.968 0.850 1.601 646 1HG1 VAL 91 HG11 VAL 91 -5.161 -1.038 0.360 647 2HG1 VAL 91 HG12 VAL 91 -4.848 0.175 1.600 648 3HG1 VAL 91 HG13 VAL 91 -4.789 0.623 -0.104 649 1HG2 VAL 91 HG21 VAL 91 -8.160 1.598 -0.366 650 2HG2 VAL 91 HG22 VAL 91 -6.997 0.786 -1.414 651 3HG2 VAL 91 HG23 VAL 91 -6.490 2.160 -0.432 652 H VAL 92 HN VAL 92 -8.610 -0.051 2.781 653 HA VAL 92 HA VAL 92 -11.282 0.431 1.658 654 HB VAL 92 HB VAL 92 -12.241 -0.348 3.878 655 1HG1 VAL 92 HG11 VAL 92 -11.593 -2.886 3.103 656 2HG1 VAL 92 HG12 VAL 92 -11.268 -1.958 1.640 657 3HG1 VAL 92 HG13 VAL 92 -12.863 -1.896 2.386 658 1HG2 VAL 92 HG21 VAL 92 -10.987 -1.829 5.257 659 2HG2 VAL 92 HG22 VAL 92 -10.009 -0.378 5.037 660 3HG2 VAL 92 HG23 VAL 92 -9.634 -1.840 4.125 661 H TYR 93 HN TYR 93 -12.244 2.301 2.332 662 HA TYR 93 HA TYR 93 -10.661 4.272 3.614 663 1HB TYR 93 HB2 TYR 93 -12.864 4.347 2.011 664 2HB TYR 93 HB1 TYR 93 -13.581 4.722 3.572 665 HD1 TYR 93 HD1 TYR 93 -11.271 6.267 4.775 666 HD2 TYR 93 HD2 TYR 93 -13.053 6.409 0.911 667 HE1 TYR 93 HE1 TYR 93 -10.549 8.606 4.533 668 HE2 TYR 93 HE2 TYR 93 -12.337 8.745 0.662 669 HH TYR 93 HH TYR 93 -11.770 10.698 2.416 670 H VAL 94 HN VAL 94 -10.301 4.580 5.706 671 HA VAL 94 HA VAL 94 -12.234 3.491 7.651 672 HB VAL 94 HB VAL 94 -9.294 3.980 8.147 673 1HG1 VAL 94 HG11 VAL 94 -11.263 3.724 9.972 674 2HG1 VAL 94 HG12 VAL 94 -9.603 3.194 10.238 675 3HG1 VAL 94 HG13 VAL 94 -10.829 2.031 9.738 676 1HG2 VAL 94 HG21 VAL 94 -9.007 1.546 7.957 677 2HG2 VAL 94 HG22 VAL 94 -9.516 2.272 6.434 678 3HG2 VAL 94 HG23 VAL 94 -10.682 1.398 7.427 679 H ALA 95 HN ALA 95 -13.005 4.795 9.240 680 HA ALA 95 HA ALA 95 -11.854 7.475 9.561 681 1HB ALA 95 HB1 ALA 95 -14.569 6.809 8.593 682 2HB ALA 95 HB2 ALA 95 -13.544 8.198 8.237 683 3HB ALA 95 HB3 ALA 95 -14.439 8.128 9.755 Start of MODEL 14 1 HT1 PRO 9 HT2 PRO 9 -17.084 -2.209 2.804 2 HT2 PRO 9 HT1 PRO 9 -15.865 -1.122 3.006 3 HA PRO 9 HA PRO 9 -17.269 -1.902 0.754 4 1HB PRO 9 HB2 PRO 9 -16.646 0.801 0.190 5 2HB PRO 9 HB1 PRO 9 -18.246 0.049 0.215 6 1HG PRO 9 HG2 PRO 9 -16.844 1.588 2.336 7 2HG PRO 9 HG1 PRO 9 -18.577 1.480 1.980 8 1HD PRO 9 HD2 PRO 9 -17.543 0.220 4.091 9 2HD PRO 9 HD1 PRO 9 -18.810 -0.547 3.113 10 H ILE 10 HN ILE 10 -15.555 -2.973 -0.044 11 HA ILE 10 HA ILE 10 -12.858 -2.001 0.342 12 HB ILE 10 HB ILE 10 -13.290 -4.400 0.496 13 1HG1 ILE 10 HG12 ILE 10 -11.670 -4.327 -1.978 14 2HG1 ILE 10 HG11 ILE 10 -11.161 -3.221 -0.707 15 1HG2 ILE 10 HG21 ILE 10 -14.568 -3.964 -2.100 16 2HG2 ILE 10 HG22 ILE 10 -14.862 -5.202 -0.880 17 3HG2 ILE 10 HG23 ILE 10 -13.539 -5.394 -2.028 18 1HD1 ILE 10 HD11 ILE 10 -10.331 -4.866 0.543 19 2HD1 ILE 10 HD12 ILE 10 -10.411 -5.828 -0.934 20 3HD1 ILE 10 HD13 ILE 10 -11.715 -5.918 0.249 21 H ARG 11 HN ARG 11 -11.470 -1.201 -1.199 22 HA ARG 11 HA ARG 11 -12.630 -0.644 -3.853 23 1HB ARG 11 HB2 ARG 11 -12.134 1.276 -2.023 24 2HB ARG 11 HB1 ARG 11 -10.559 1.202 -2.803 25 1HG ARG 11 HG2 ARG 11 -11.970 1.359 -5.000 26 2HG ARG 11 HG1 ARG 11 -13.192 2.035 -3.920 27 1HD ARG 11 HD2 ARG 11 -10.986 3.412 -3.140 28 2HD ARG 11 HD1 ARG 11 -10.644 3.172 -4.854 29 HE ARG 11 HE ARG 11 -13.300 4.136 -4.347 30 1HH1 ARG 11 HH11 ARG 11 -9.963 5.108 -4.794 31 2HH1 ARG 11 HH12 ARG 11 -10.374 6.703 -5.327 32 1HH2 ARG 11 HH21 ARG 11 -13.831 6.237 -5.044 33 2HH2 ARG 11 HH22 ARG 11 -12.569 7.345 -5.468 34 H LYS 12 HN LYS 12 -11.442 -1.183 -5.590 35 HA LYS 12 HA LYS 12 -8.761 -2.295 -5.113 36 1HB LYS 12 HB2 LYS 12 -10.407 -2.672 -7.615 37 2HB LYS 12 HB1 LYS 12 -9.045 -3.631 -7.056 38 1HG LYS 12 HG2 LYS 12 -11.639 -3.493 -5.550 39 2HG LYS 12 HG1 LYS 12 -11.344 -4.663 -6.837 40 1HD LYS 12 HD2 LYS 12 -9.186 -5.200 -5.469 41 2HD LYS 12 HD1 LYS 12 -10.068 -4.443 -4.141 42 1HE LYS 12 HE2 LYS 12 -10.856 -6.868 -5.746 43 2HE LYS 12 HE1 LYS 12 -10.483 -6.785 -4.026 44 1HZ LYS 12 HZ1 LYS 12 -12.871 -5.719 -5.418 45 2HZ LYS 12 HZ2 LYS 12 -12.469 -5.273 -3.838 46 3HZ LYS 12 HZ3 LYS 12 -12.813 -6.889 -4.196 47 H VAL 13 HN VAL 13 -7.157 -0.902 -5.524 48 HA VAL 13 HA VAL 13 -7.437 0.913 -7.835 49 HB VAL 13 HB VAL 13 -5.722 1.429 -5.401 50 1HG1 VAL 13 HG11 VAL 13 -6.657 3.370 -7.504 51 2HG1 VAL 13 HG12 VAL 13 -5.118 2.514 -7.595 52 3HG1 VAL 13 HG13 VAL 13 -5.433 3.621 -6.260 53 1HG2 VAL 13 HG21 VAL 13 -7.381 2.882 -4.545 54 2HG2 VAL 13 HG22 VAL 13 -8.210 1.373 -4.930 55 3HG2 VAL 13 HG23 VAL 13 -8.353 2.758 -6.011 56 H LEU 14 HN LEU 14 -5.822 1.001 -9.320 57 HA LEU 14 HA LEU 14 -3.586 -0.882 -8.964 58 1HB LEU 14 HB2 LEU 14 -5.310 -1.125 -10.872 59 2HB LEU 14 HB1 LEU 14 -4.491 0.244 -11.598 60 HG LEU 14 HG LEU 14 -2.734 -1.981 -10.774 61 1HD1 LEU 14 HD11 LEU 14 -4.576 -3.290 -11.592 62 2HD1 LEU 14 HD12 LEU 14 -3.290 -3.292 -12.799 63 3HD1 LEU 14 HD13 LEU 14 -4.712 -2.276 -13.027 64 1HD2 LEU 14 HD21 LEU 14 -2.196 -1.393 -13.367 65 2HD2 LEU 14 HD22 LEU 14 -1.482 -0.562 -11.986 66 3HD2 LEU 14 HD23 LEU 14 -2.878 0.134 -12.808 67 H LEU 15 HN LEU 15 -1.571 -0.112 -8.845 68 HA LEU 15 HA LEU 15 -1.105 2.691 -9.631 69 1HB LEU 15 HB2 LEU 15 -0.748 1.491 -7.145 70 2HB LEU 15 HB1 LEU 15 0.871 1.575 -7.811 71 HG LEU 15 HG LEU 15 0.503 4.028 -8.205 72 1HD1 LEU 15 HD11 LEU 15 -1.370 5.135 -7.549 73 2HD1 LEU 15 HD12 LEU 15 -1.739 3.984 -6.264 74 3HD1 LEU 15 HD13 LEU 15 -2.099 3.578 -7.943 75 1HD2 LEU 15 HD21 LEU 15 0.134 3.354 -5.304 76 2HD2 LEU 15 HD22 LEU 15 1.108 4.632 -6.031 77 3HD2 LEU 15 HD23 LEU 15 1.620 2.950 -6.163 78 H LEU 16 HN LEU 16 0.728 3.215 -10.785 79 HA LEU 16 HA LEU 16 2.162 0.937 -11.979 80 1HB LEU 16 HB2 LEU 16 1.400 3.644 -13.031 81 2HB LEU 16 HB1 LEU 16 2.722 2.747 -13.756 82 HG LEU 16 HG LEU 16 0.253 1.187 -13.460 83 1HD1 LEU 16 HD11 LEU 16 -0.860 2.279 -15.374 84 2HD1 LEU 16 HD12 LEU 16 0.313 3.593 -15.274 85 3HD1 LEU 16 HD13 LEU 16 -0.800 3.300 -13.937 86 1HD2 LEU 16 HD21 LEU 16 2.097 1.760 -15.777 87 2HD2 LEU 16 HD22 LEU 16 0.809 0.556 -15.757 88 3HD2 LEU 16 HD23 LEU 16 2.196 0.380 -14.683 89 H LYS 17 HN LYS 17 4.154 0.647 -11.243 90 HA LYS 17 HA LYS 17 5.722 3.004 -10.415 91 1HB LYS 17 HB2 LYS 17 5.134 1.518 -8.537 92 2HB LYS 17 HB1 LYS 17 5.900 0.172 -9.366 93 1HG LYS 17 HG2 LYS 17 7.795 2.278 -9.198 94 2HG LYS 17 HG1 LYS 17 7.061 2.069 -7.607 95 1HD LYS 17 HD2 LYS 17 7.740 -0.447 -8.942 96 2HD LYS 17 HD1 LYS 17 9.133 0.582 -8.606 97 1HE LYS 17 HE2 LYS 17 8.957 0.317 -6.371 98 2HE LYS 17 HE1 LYS 17 7.195 0.314 -6.405 99 1HZ LYS 17 HZ1 LYS 17 8.141 -1.832 -5.727 100 2HZ LYS 17 HZ2 LYS 17 8.903 -1.972 -7.231 101 3HZ LYS 17 HZ3 LYS 17 7.214 -1.965 -7.136 102 H GLU 18 HN GLU 18 7.745 3.264 -11.217 103 HA GLU 18 HA GLU 18 8.701 1.247 -13.145 104 1HB GLU 18 HB2 GLU 18 8.685 4.235 -13.203 105 2HB GLU 18 HB1 GLU 18 10.013 3.394 -13.990 106 1HG GLU 18 HG2 GLU 18 8.539 2.282 -15.481 107 2HG GLU 18 HG1 GLU 18 7.124 2.814 -14.576 108 H ASP 19 HN ASP 19 11.131 1.350 -13.482 109 HA ASP 19 HA ASP 19 12.473 0.742 -11.112 110 1HB ASP 19 HB2 ASP 19 13.195 1.062 -13.934 111 2HB ASP 19 HB1 ASP 19 14.509 1.459 -12.830 112 H HIS 20 HN HIS 20 12.290 3.776 -12.908 113 HA HIS 20 HA HIS 20 14.155 5.100 -11.137 114 1HB HIS 20 HB2 HIS 20 13.793 7.064 -12.517 115 2HB HIS 20 HB1 HIS 20 14.056 5.661 -13.545 116 HD1 HIS 20 HD1 HIS 20 11.576 8.280 -12.725 117 HD2 HIS 20 HD2 HIS 20 11.723 4.765 -14.939 118 HE1 HIS 20 HE1 HIS 20 9.529 8.317 -14.185 119 HE2 HIS 20 HE2 HIS 20 9.650 6.193 -15.533 120 H GLU 21 HN GLU 21 10.704 4.687 -11.371 121 HA GLU 21 HA GLU 21 10.166 6.879 -9.525 122 1HB GLU 21 HB2 GLU 21 8.529 5.144 -11.297 123 2HB GLU 21 HB1 GLU 21 7.755 5.759 -9.843 124 1HG GLU 21 HG2 GLU 21 9.230 7.783 -11.344 125 2HG GLU 21 HG1 GLU 21 7.900 7.055 -12.240 126 H GLY 22 HN GLY 22 8.437 6.308 -7.773 127 1HA GLY 22 HA2 GLY 22 9.176 3.763 -6.471 128 2HA GLY 22 HA1 GLY 22 9.229 5.274 -5.577 129 H LEU 23 HN LEU 23 7.700 4.694 -4.057 130 HA LEU 23 HA LEU 23 5.096 3.728 -4.864 131 1HB LEU 23 HB2 LEU 23 6.527 4.153 -2.306 132 2HB LEU 23 HB1 LEU 23 4.783 4.310 -2.243 133 HG LEU 23 HG LEU 23 5.931 1.882 -3.544 134 1HD1 LEU 23 HD11 LEU 23 7.130 2.322 -1.334 135 2HD1 LEU 23 HD12 LEU 23 6.338 0.759 -1.530 136 3HD1 LEU 23 HD13 LEU 23 5.571 2.022 -0.568 137 1HD2 LEU 23 HD21 LEU 23 3.883 1.023 -2.095 138 2HD2 LEU 23 HD22 LEU 23 3.658 1.774 -3.675 139 3HD2 LEU 23 HD23 LEU 23 3.415 2.720 -2.207 140 H GLY 24 HN GLY 24 6.047 6.517 -2.829 141 1HA GLY 24 HA2 GLY 24 5.402 8.769 -3.399 142 2HA GLY 24 HA1 GLY 24 4.001 8.116 -4.224 143 H ILE 25 HN ILE 25 4.372 6.468 -1.325 144 HA ILE 25 HA ILE 25 2.943 8.435 0.288 145 HB ILE 25 HB ILE 25 1.231 6.693 0.935 146 1HG1 ILE 25 HG12 ILE 25 1.033 5.235 -1.438 147 2HG1 ILE 25 HG11 ILE 25 2.745 5.182 -1.033 148 1HG2 ILE 25 HG21 ILE 25 -0.141 7.068 -1.170 149 2HG2 ILE 25 HG22 ILE 25 1.265 7.922 -1.803 150 3HG2 ILE 25 HG23 ILE 25 0.464 8.503 -0.344 151 1HD1 ILE 25 HD11 ILE 25 1.811 4.570 1.350 152 2HD1 ILE 25 HD12 ILE 25 2.011 3.351 0.091 153 3HD1 ILE 25 HD13 ILE 25 0.420 4.042 0.404 154 H SER 26 HN SER 26 3.034 8.049 2.516 155 HA SER 26 HA SER 26 5.055 6.074 3.312 156 1HB SER 26 HB2 SER 26 5.288 8.587 3.849 157 2HB SER 26 HB1 SER 26 4.035 8.308 5.057 158 HG SER 26 HG SER 26 6.528 6.954 4.895 159 H ILE 27 HN ILE 27 4.638 4.495 4.778 160 HA ILE 27 HA ILE 27 1.865 4.299 5.764 161 HB ILE 27 HB ILE 27 2.247 1.819 5.811 162 1HG1 ILE 27 HG12 ILE 27 4.558 2.349 3.950 163 2HG1 ILE 27 HG11 ILE 27 4.799 2.123 5.679 164 1HG2 ILE 27 HG21 ILE 27 1.972 3.502 3.411 165 2HG2 ILE 27 HG22 ILE 27 0.916 2.240 4.046 166 3HG2 ILE 27 HG23 ILE 27 2.349 1.805 3.116 167 1HD1 ILE 27 HD11 ILE 27 5.119 0.096 4.219 168 2HD1 ILE 27 HD12 ILE 27 3.373 0.112 3.969 169 3HD1 ILE 27 HD13 ILE 27 4.029 -0.098 5.593 170 H THR 28 HN THR 28 1.517 3.320 7.825 171 HA THR 28 HA THR 28 3.855 3.043 9.556 172 HB THR 28 HB THR 28 3.134 5.385 9.778 173 HG1 THR 28 HG1 THR 28 2.363 4.039 12.136 174 1HG2 THR 28 HG21 THR 28 0.886 5.584 9.386 175 2HG2 THR 28 HG22 THR 28 0.941 5.669 11.147 176 3HG2 THR 28 HG23 THR 28 0.479 4.165 10.350 177 H GLY 29 HN GLY 29 3.485 1.828 11.472 178 1HA GLY 29 HA2 GLY 29 1.641 0.769 12.855 179 2HA GLY 29 HA1 GLY 29 1.066 0.137 11.318 180 H GLY 30 HN GLY 30 1.280 -2.021 12.073 181 1HA GLY 30 HA2 GLY 30 3.536 -3.397 11.333 182 2HA GLY 30 HA1 GLY 30 3.798 -3.016 13.025 183 H LYS 31 HN LYS 31 2.747 -5.352 11.000 184 HA LYS 31 HA LYS 31 0.416 -6.376 12.171 185 1HB LYS 31 HB2 LYS 31 1.453 -7.095 9.987 186 2HB LYS 31 HB1 LYS 31 2.627 -8.012 10.921 187 1HG LYS 31 HG2 LYS 31 -0.251 -8.493 11.464 188 2HG LYS 31 HG1 LYS 31 0.427 -9.111 9.956 189 1HD LYS 31 HD2 LYS 31 2.255 -10.159 11.360 190 2HD LYS 31 HD1 LYS 31 1.282 -9.747 12.773 191 1HE LYS 31 HE2 LYS 31 0.643 -11.932 12.330 192 2HE LYS 31 HE1 LYS 31 -0.618 -10.986 11.540 193 1HZ LYS 31 HZ1 LYS 31 0.264 -11.421 9.447 194 2HZ LYS 31 HZ2 LYS 31 0.408 -12.904 10.247 195 3HZ LYS 31 HZ3 LYS 31 1.765 -11.913 10.055 196 H GLU 32 HN GLU 32 3.808 -6.755 13.058 197 HA GLU 32 HA GLU 32 3.597 -8.885 14.847 198 1HB GLU 32 HB2 GLU 32 5.651 -7.423 13.961 199 2HB GLU 32 HB1 GLU 32 5.439 -6.647 15.523 200 1HG GLU 32 HG2 GLU 32 5.415 -9.186 16.324 201 2HG GLU 32 HG1 GLU 32 6.385 -9.366 14.862 202 H HIS 33 HN HIS 33 2.762 -5.505 15.229 203 HA HIS 33 HA HIS 33 2.463 -5.635 18.089 204 1HB HIS 33 HB2 HIS 33 1.373 -3.546 16.193 205 2HB HIS 33 HB1 HIS 33 1.597 -3.382 17.929 206 HD1 HIS 33 HD1 HIS 33 3.711 -2.291 18.630 207 HD2 HIS 33 HD2 HIS 33 3.969 -3.854 14.788 208 HE1 HIS 33 HE1 HIS 33 5.955 -1.564 17.756 209 HE2 HIS 33 HE2 HIS 33 6.105 -2.552 15.443 210 H GLY 34 HN GLY 34 0.434 -6.184 15.311 211 1HA GLY 34 HA2 GLY 34 -1.521 -7.580 15.575 212 2HA GLY 34 HA1 GLY 34 -1.796 -6.818 17.132 213 H VAL 35 HN VAL 35 -0.904 -4.903 14.348 214 HA VAL 35 HA VAL 35 -3.689 -4.131 13.896 215 HB VAL 35 HB VAL 35 -3.005 -1.710 13.845 216 1HG1 VAL 35 HG11 VAL 35 -4.297 -2.111 15.674 217 2HG1 VAL 35 HG12 VAL 35 -2.795 -1.670 16.485 218 3HG1 VAL 35 HG13 VAL 35 -3.228 -3.368 16.294 219 1HG2 VAL 35 HG21 VAL 35 -0.987 -1.335 15.495 220 2HG2 VAL 35 HG22 VAL 35 -0.722 -1.565 13.768 221 3HG2 VAL 35 HG23 VAL 35 -0.486 -2.911 14.881 222 HA PRO 36 HA PRO 36 -2.348 -4.428 9.663 223 1HB PRO 36 HB2 PRO 36 -4.637 -2.628 9.109 224 2HB PRO 36 HB1 PRO 36 -4.298 -4.245 8.482 225 1HG PRO 36 HG2 PRO 36 -6.225 -3.843 10.288 226 2HG PRO 36 HG1 PRO 36 -5.211 -5.297 10.331 227 1HD PRO 36 HD2 PRO 36 -5.054 -2.826 12.016 228 2HD PRO 36 HD1 PRO 36 -4.860 -4.527 12.489 229 H ILE 37 HN ILE 37 -1.505 -3.085 7.967 230 HA ILE 37 HA ILE 37 -0.400 -0.600 8.957 231 HB ILE 37 HB ILE 37 -0.052 -1.727 6.178 232 1HG1 ILE 37 HG12 ILE 37 0.575 -3.457 7.800 233 2HG1 ILE 37 HG11 ILE 37 1.997 -2.812 6.991 234 1HG2 ILE 37 HG21 ILE 37 0.631 0.609 6.539 235 2HG2 ILE 37 HG22 ILE 37 1.999 -0.441 6.167 236 3HG2 ILE 37 HG23 ILE 37 1.712 0.078 7.828 237 1HD1 ILE 37 HD11 ILE 37 1.266 -2.785 9.812 238 2HD1 ILE 37 HD12 ILE 37 1.841 -1.230 9.209 239 3HD1 ILE 37 HD13 ILE 37 2.849 -2.667 9.044 240 H LEU 38 HN LEU 38 -1.087 1.408 8.491 241 HA LEU 38 HA LEU 38 -3.163 1.709 6.417 242 1HB LEU 38 HB2 LEU 38 -2.959 2.892 9.171 243 2HB LEU 38 HB1 LEU 38 -3.920 3.666 7.926 244 HG LEU 38 HG LEU 38 -5.235 1.547 7.709 245 1HD1 LEU 38 HD11 LEU 38 -4.956 0.212 10.018 246 2HD1 LEU 38 HD12 LEU 38 -3.283 0.698 9.751 247 3HD1 LEU 38 HD13 LEU 38 -4.133 -0.244 8.527 248 1HD2 LEU 38 HD21 LEU 38 -6.552 1.907 9.710 249 2HD2 LEU 38 HD22 LEU 38 -6.021 3.453 9.049 250 3HD2 LEU 38 HD23 LEU 38 -5.214 2.774 10.463 251 H ILE 39 HN ILE 39 -3.294 3.795 5.369 252 HA ILE 39 HA ILE 39 -0.664 4.969 4.927 253 HB ILE 39 HB ILE 39 -3.224 5.794 3.563 254 1HG1 ILE 39 HG12 ILE 39 -2.973 3.356 3.315 255 2HG1 ILE 39 HG11 ILE 39 -2.720 4.189 1.786 256 1HG2 ILE 39 HG21 ILE 39 -1.285 6.043 1.722 257 2HG2 ILE 39 HG22 ILE 39 -0.343 6.307 3.189 258 3HG2 ILE 39 HG23 ILE 39 -1.737 7.329 2.840 259 1HD1 ILE 39 HD11 ILE 39 -0.190 3.999 2.922 260 2HD1 ILE 39 HD12 ILE 39 -0.838 3.048 1.586 261 3HD1 ILE 39 HD13 ILE 39 -0.960 2.444 3.238 262 H SER 40 HN SER 40 0.007 6.794 5.849 263 HA SER 40 HA SER 40 -2.010 8.609 7.006 264 1HB SER 40 HB2 SER 40 0.607 7.637 8.064 265 2HB SER 40 HB1 SER 40 0.091 9.271 8.479 266 HG SER 40 HG SER 40 -0.685 7.848 10.025 267 H GLU 41 HN GLU 41 1.226 8.476 5.503 268 HA GLU 41 HA GLU 41 0.937 11.325 4.817 269 1HB GLU 41 HB2 GLU 41 3.098 9.901 5.897 270 2HB GLU 41 HB1 GLU 41 3.545 10.221 4.228 271 1HG GLU 41 HG2 GLU 41 4.258 12.191 4.962 272 2HG GLU 41 HG1 GLU 41 2.557 12.643 5.055 273 H ILE 42 HN ILE 42 1.207 12.042 2.717 274 HA ILE 42 HA ILE 42 1.460 9.998 0.619 275 HB ILE 42 HB ILE 42 -0.531 12.269 0.491 276 1HG1 ILE 42 HG12 ILE 42 -1.347 9.392 0.699 277 2HG1 ILE 42 HG11 ILE 42 -0.948 10.275 2.167 278 1HG2 ILE 42 HG21 ILE 42 -0.338 11.827 -1.696 279 2HG2 ILE 42 HG22 ILE 42 -1.298 10.393 -1.335 280 3HG2 ILE 42 HG23 ILE 42 0.460 10.281 -1.415 281 1HD1 ILE 42 HD11 ILE 42 -3.018 11.136 0.165 282 2HD1 ILE 42 HD12 ILE 42 -2.673 11.885 1.724 283 3HD1 ILE 42 HD13 ILE 42 -3.352 10.260 1.657 284 H HIS 43 HN HIS 43 3.232 10.494 -0.499 285 HA HIS 43 HA HIS 43 4.387 13.101 -0.514 286 1HB HIS 43 HB2 HIS 43 5.040 10.675 -2.203 287 2HB HIS 43 HB1 HIS 43 6.025 12.130 -2.095 288 HD1 HIS 43 HD1 HIS 43 7.260 12.548 0.191 289 HD2 HIS 43 HD2 HIS 43 5.369 8.862 -0.135 290 HE1 HIS 43 HE1 HIS 43 8.197 11.144 2.055 291 HE2 HIS 43 HE2 HIS 43 7.100 8.892 1.786 292 HA PRO 44 HA PRO 44 1.957 14.707 -3.894 293 1HB PRO 44 HB2 PRO 44 3.298 17.046 -4.196 294 2HB PRO 44 HB1 PRO 44 2.156 16.757 -2.879 295 1HG PRO 44 HG2 PRO 44 5.146 16.620 -2.862 296 2HG PRO 44 HG1 PRO 44 4.050 17.310 -1.652 297 1HD PRO 44 HD2 PRO 44 5.190 14.864 -1.380 298 2HD PRO 44 HD1 PRO 44 3.595 15.261 -0.711 299 H GLY 45 HN GLY 45 2.161 15.108 -6.122 300 1HA GLY 45 HA2 GLY 45 3.075 14.952 -8.224 301 2HA GLY 45 HA1 GLY 45 4.639 15.264 -7.490 302 H GLN 46 HN GLN 46 2.568 12.562 -6.624 303 HA GLN 46 HA GLN 46 4.396 10.727 -8.016 304 1HB GLN 46 HB2 GLN 46 4.080 11.050 -5.193 305 2HB GLN 46 HB1 GLN 46 3.437 9.476 -5.643 306 1HG GLN 46 HG2 GLN 46 5.489 8.664 -5.733 307 2HG GLN 46 HG1 GLN 46 5.887 9.809 -7.012 308 1HE2 GLN 46 HE21 GLN 46 5.912 12.193 -5.780 309 2HE2 GLN 46 HE22 GLN 46 7.113 12.233 -4.539 310 HA PRO 47 HA PRO 47 1.043 8.259 -9.515 311 1HB PRO 47 HB2 PRO 47 1.567 6.129 -7.489 312 2HB PRO 47 HB1 PRO 47 1.387 5.995 -9.243 313 1HG PRO 47 HG2 PRO 47 3.790 5.861 -8.127 314 2HG PRO 47 HG1 PRO 47 3.548 6.733 -9.653 315 1HD PRO 47 HD2 PRO 47 3.936 7.807 -6.894 316 2HD PRO 47 HD1 PRO 47 4.501 8.455 -8.448 317 H ALA 48 HN ALA 48 1.235 8.384 -5.979 318 HA ALA 48 HA ALA 48 -1.376 7.618 -5.356 319 1HB ALA 48 HB1 ALA 48 -1.041 8.687 -3.225 320 2HB ALA 48 HB2 ALA 48 0.294 9.641 -3.870 321 3HB ALA 48 HB3 ALA 48 0.456 7.892 -3.711 322 H ASP 49 HN ASP 49 -0.062 10.854 -6.036 323 HA ASP 49 HA ASP 49 -2.557 12.198 -5.704 324 1HB ASP 49 HB2 ASP 49 0.152 12.932 -6.705 325 2HB ASP 49 HB1 ASP 49 -1.196 13.959 -7.182 326 H ARG 50 HN ARG 50 -0.805 10.872 -8.472 327 HA ARG 50 HA ARG 50 -2.412 11.939 -10.507 328 1HB ARG 50 HB2 ARG 50 -0.467 9.718 -10.276 329 2HB ARG 50 HB1 ARG 50 -1.590 9.629 -11.627 330 1HG ARG 50 HG2 ARG 50 -0.874 11.817 -12.397 331 2HG ARG 50 HG1 ARG 50 0.214 11.964 -11.016 332 1HD ARG 50 HD2 ARG 50 1.778 10.664 -11.965 333 2HD ARG 50 HD1 ARG 50 0.588 9.508 -12.561 334 HE ARG 50 HE ARG 50 1.730 11.724 -13.996 335 1HH1 ARG 50 HH11 ARG 50 -1.012 9.551 -13.799 336 2HH1 ARG 50 HH12 ARG 50 -1.433 9.731 -15.469 337 1HH2 ARG 50 HH21 ARG 50 1.168 11.960 -16.196 338 2HH2 ARG 50 HH22 ARG 50 -0.195 11.099 -16.831 339 H CYS 51 HN CYS 51 -2.864 9.072 -8.479 340 HA CYS 51 HA CYS 51 -5.165 8.247 -10.064 341 1HB CYS 51 HB2 CYS 51 -5.287 6.327 -8.526 342 2HB CYS 51 HB1 CYS 51 -3.690 6.491 -9.247 343 HG CYS 51 HG CYS 51 -2.699 6.865 -7.017 344 H GLY 52 HN GLY 52 -4.475 9.934 -7.089 345 1HA GLY 52 HA2 GLY 52 -5.852 11.094 -5.669 346 2HA GLY 52 HA1 GLY 52 -7.120 10.915 -6.865 347 H GLY 53 HN GLY 53 -5.730 7.974 -5.787 348 1HA GLY 53 HA2 GLY 53 -8.155 7.410 -4.221 349 2HA GLY 53 HA1 GLY 53 -7.138 6.208 -5.000 350 H LEU 54 HN LEU 54 -4.654 7.522 -4.000 351 HA LEU 54 HA LEU 54 -4.547 6.133 -1.481 352 1HB LEU 54 HB2 LEU 54 -2.615 7.442 -3.295 353 2HB LEU 54 HB1 LEU 54 -2.176 7.433 -1.598 354 HG LEU 54 HG LEU 54 -3.012 4.886 -2.931 355 1HD1 LEU 54 HD11 LEU 54 -0.265 6.120 -3.038 356 2HD1 LEU 54 HD12 LEU 54 -1.321 5.770 -4.406 357 3HD1 LEU 54 HD13 LEU 54 -0.643 4.449 -3.455 358 1HD2 LEU 54 HD21 LEU 54 -2.551 5.349 -0.379 359 2HD2 LEU 54 HD22 LEU 54 -0.872 5.152 -0.882 360 3HD2 LEU 54 HD23 LEU 54 -2.030 3.849 -1.147 361 H HIS 55 HN HIS 55 -6.278 7.492 -0.566 362 HA HIS 55 HA HIS 55 -5.583 10.189 0.243 363 1HB HIS 55 HB2 HIS 55 -7.831 10.126 1.353 364 2HB HIS 55 HB1 HIS 55 -7.887 9.777 -0.371 365 HD1 HIS 55 HD1 HIS 55 -7.572 7.676 2.813 366 HD2 HIS 55 HD2 HIS 55 -9.507 7.664 -0.867 367 HE1 HIS 55 HE1 HIS 55 -8.971 5.592 2.794 368 HE2 HIS 55 HE2 HIS 55 -10.105 5.583 0.548 369 H VAL 56 HN VAL 56 -5.616 10.879 2.494 370 HA VAL 56 HA VAL 56 -4.019 9.224 4.160 371 HB VAL 56 HB VAL 56 -5.615 11.634 5.054 372 1HG1 VAL 56 HG11 VAL 56 -3.470 11.747 6.573 373 2HG1 VAL 56 HG12 VAL 56 -3.405 10.018 6.233 374 3HG1 VAL 56 HG13 VAL 56 -4.831 10.712 7.004 375 1HG2 VAL 56 HG21 VAL 56 -2.903 11.479 3.751 376 2HG2 VAL 56 HG22 VAL 56 -3.461 12.879 4.666 377 3HG2 VAL 56 HG23 VAL 56 -4.318 12.381 3.208 378 H GLY 57 HN GLY 57 -4.555 7.913 5.859 379 1HA GLY 57 HA2 GLY 57 -5.918 6.925 7.480 380 2HA GLY 57 HA1 GLY 57 -7.275 7.865 6.882 381 H ASP 58 HN ASP 58 -5.163 5.806 4.943 382 HA ASP 58 HA ASP 58 -7.506 4.204 4.196 383 1HB ASP 58 HB2 ASP 58 -5.578 5.393 2.627 384 2HB ASP 58 HB1 ASP 58 -5.010 3.731 2.719 385 H ALA 59 HN ALA 59 -7.398 1.897 4.191 386 HA ALA 59 HA ALA 59 -5.249 0.801 5.893 387 1HB ALA 59 HB1 ALA 59 -7.798 0.979 6.685 388 2HB ALA 59 HB2 ALA 59 -6.722 -0.323 7.191 389 3HB ALA 59 HB3 ALA 59 -7.860 -0.583 5.868 390 H ILE 60 HN ILE 60 -4.009 -0.651 4.918 391 HA ILE 60 HA ILE 60 -4.771 -1.777 2.369 392 HB ILE 60 HB ILE 60 -2.296 -2.442 3.962 393 1HG1 ILE 60 HG12 ILE 60 -1.805 -0.579 1.826 394 2HG1 ILE 60 HG11 ILE 60 -3.020 0.089 2.911 395 1HG2 ILE 60 HG21 ILE 60 -2.610 -3.979 2.194 396 2HG2 ILE 60 HG22 ILE 60 -1.391 -2.832 1.638 397 3HG2 ILE 60 HG23 ILE 60 -3.053 -2.701 1.063 398 1HD1 ILE 60 HD11 ILE 60 -1.052 -0.956 4.580 399 2HD1 ILE 60 HD12 ILE 60 -1.360 0.742 4.218 400 3HD1 ILE 60 HD13 ILE 60 -0.182 -0.162 3.268 401 H LEU 61 HN LEU 61 -4.989 -3.957 1.865 402 HA LEU 61 HA LEU 61 -5.264 -5.816 4.124 403 1HB LEU 61 HB2 LEU 61 -7.245 -5.247 1.944 404 2HB LEU 61 HB1 LEU 61 -7.214 -6.809 2.739 405 HG LEU 61 HG LEU 61 -7.533 -4.214 4.241 406 1HD1 LEU 61 HD11 LEU 61 -9.848 -4.416 4.171 407 2HD1 LEU 61 HD12 LEU 61 -9.784 -6.081 3.592 408 3HD1 LEU 61 HD13 LEU 61 -9.355 -4.755 2.512 409 1HD2 LEU 61 HD21 LEU 61 -8.696 -6.066 5.766 410 2HD2 LEU 61 HD22 LEU 61 -6.975 -5.696 5.868 411 3HD2 LEU 61 HD23 LEU 61 -7.522 -7.093 4.941 412 H ALA 62 HN ALA 62 -5.161 -5.611 0.545 413 HA ALA 62 HA ALA 62 -3.319 -7.901 0.565 414 1HB ALA 62 HB1 ALA 62 -4.525 -9.184 -0.858 415 2HB ALA 62 HB2 ALA 62 -5.259 -7.800 -1.669 416 3HB ALA 62 HB3 ALA 62 -5.866 -8.328 -0.098 417 H VAL 63 HN VAL 63 -1.778 -7.945 -1.046 418 HA VAL 63 HA VAL 63 -1.660 -5.614 -2.848 419 HB VAL 63 HB VAL 63 0.748 -6.844 -1.495 420 1HG1 VAL 63 HG11 VAL 63 2.029 -5.195 -2.497 421 2HG1 VAL 63 HG12 VAL 63 0.640 -4.151 -2.794 422 3HG1 VAL 63 HG13 VAL 63 0.876 -5.601 -3.768 423 1HG2 VAL 63 HG21 VAL 63 -0.986 -4.544 -0.690 424 2HG2 VAL 63 HG22 VAL 63 0.735 -4.532 -0.308 425 3HG2 VAL 63 HG23 VAL 63 -0.294 -5.828 0.301 426 H ASN 64 HN ASN 64 -1.758 -6.311 -4.879 427 HA ASN 64 HA ASN 64 -1.540 -7.579 -6.752 428 1HB ASN 64 HB2 ASN 64 0.958 -7.201 -5.900 429 2HB ASN 64 HB1 ASN 64 0.894 -8.948 -5.697 430 1HD2 ASN 64 HD21 ASN 64 1.590 -6.492 -7.821 431 2HD2 ASN 64 HD22 ASN 64 1.528 -7.384 -9.299 432 H GLY 65 HN GLY 65 -3.128 -8.638 -4.590 433 1HA GLY 65 HA2 GLY 65 -4.429 -10.587 -4.545 434 2HA GLY 65 HA1 GLY 65 -3.175 -11.424 -5.441 435 H VAL 66 HN VAL 66 -1.204 -10.261 -3.323 436 HA VAL 66 HA VAL 66 -1.447 -12.539 -1.535 437 HB VAL 66 HB VAL 66 0.739 -10.454 -1.572 438 1HG1 VAL 66 HG11 VAL 66 2.041 -12.426 -0.622 439 2HG1 VAL 66 HG12 VAL 66 0.473 -13.188 -0.351 440 3HG1 VAL 66 HG13 VAL 66 0.860 -11.661 0.443 441 1HG2 VAL 66 HG21 VAL 66 0.243 -12.805 -3.318 442 2HG2 VAL 66 HG22 VAL 66 1.900 -12.511 -2.792 443 3HG2 VAL 66 HG23 VAL 66 1.025 -11.266 -3.684 444 H ASN 67 HN ASN 67 -1.891 -12.462 0.609 445 HA ASN 67 HA ASN 67 -3.248 -10.177 1.631 446 1HB ASN 67 HB2 ASN 67 -2.560 -12.890 2.679 447 2HB ASN 67 HB1 ASN 67 -3.022 -11.645 3.835 448 1HD2 ASN 67 HD21 ASN 67 -5.036 -12.059 4.425 449 2HD2 ASN 67 HD22 ASN 67 -6.353 -12.389 3.357 450 H LEU 68 HN LEU 68 -2.562 -8.561 2.915 451 HA LEU 68 HA LEU 68 0.285 -8.424 3.520 452 1HB LEU 68 HB2 LEU 68 -1.220 -6.532 2.518 453 2HB LEU 68 HB1 LEU 68 -1.659 -6.252 4.193 454 HG LEU 68 HG LEU 68 0.872 -6.090 4.638 455 1HD1 LEU 68 HD11 LEU 68 1.136 -6.923 2.092 456 2HD1 LEU 68 HD12 LEU 68 2.350 -5.969 2.943 457 3HD1 LEU 68 HD13 LEU 68 1.210 -5.177 1.856 458 1HD2 LEU 68 HD21 LEU 68 -0.915 -4.223 4.448 459 2HD2 LEU 68 HD22 LEU 68 -0.140 -3.872 2.904 460 3HD2 LEU 68 HD23 LEU 68 0.794 -3.789 4.397 461 H ARG 69 HN ARG 69 -2.778 -8.794 5.178 462 HA ARG 69 HA ARG 69 -1.868 -8.149 7.786 463 1HB ARG 69 HB2 ARG 69 -4.312 -8.815 6.643 464 2HB ARG 69 HB1 ARG 69 -3.981 -10.152 7.734 465 1HG ARG 69 HG2 ARG 69 -3.527 -7.464 8.849 466 2HG ARG 69 HG1 ARG 69 -5.202 -7.869 8.471 467 1HD ARG 69 HD2 ARG 69 -3.417 -9.679 10.084 468 2HD ARG 69 HD1 ARG 69 -4.395 -8.412 10.818 469 HE ARG 69 HE ARG 69 -6.342 -9.593 10.230 470 1HH1 ARG 69 HH11 ARG 69 -3.429 -11.340 9.336 471 2HH1 ARG 69 HH12 ARG 69 -4.256 -12.844 9.117 472 1HH2 ARG 69 HH21 ARG 69 -7.413 -11.588 9.947 473 2HH2 ARG 69 HH22 ARG 69 -6.512 -12.985 9.464 474 H ASP 70 HN ASP 70 -1.349 -10.904 5.791 475 HA ASP 70 HA ASP 70 -0.732 -12.639 8.047 476 1HB ASP 70 HB2 ASP 70 -0.730 -13.124 5.065 477 2HB ASP 70 HB1 ASP 70 -0.283 -14.341 6.258 478 H THR 71 HN THR 71 0.904 -10.180 6.832 479 HA THR 71 HA THR 71 3.497 -11.501 7.200 480 HB THR 71 HB THR 71 3.269 -11.206 4.809 481 HG1 THR 71 HG1 THR 71 5.165 -10.257 4.530 482 1HG2 THR 71 HG21 THR 71 2.551 -8.369 5.459 483 2HG2 THR 71 HG22 THR 71 1.665 -9.537 4.480 484 3HG2 THR 71 HG23 THR 71 3.176 -8.853 3.882 485 H LYS 72 HN LYS 72 5.264 -9.877 7.678 486 HA LYS 72 HA LYS 72 4.273 -7.990 9.663 487 1HB LYS 72 HB2 LYS 72 6.914 -9.249 9.049 488 2HB LYS 72 HB1 LYS 72 6.897 -7.736 9.942 489 1HG LYS 72 HG2 LYS 72 6.997 -9.682 11.418 490 2HG LYS 72 HG1 LYS 72 5.534 -8.732 11.677 491 1HD LYS 72 HD2 LYS 72 4.934 -11.050 11.705 492 2HD LYS 72 HD1 LYS 72 4.315 -10.348 10.211 493 1HE LYS 72 HE2 LYS 72 5.277 -12.138 9.246 494 2HE LYS 72 HE1 LYS 72 6.760 -11.198 9.402 495 1HZ LYS 72 HZ1 LYS 72 5.786 -13.225 11.345 496 2HZ LYS 72 HZ2 LYS 72 7.209 -12.323 11.495 497 3HZ LYS 72 HZ3 LYS 72 7.048 -13.442 10.237 498 H HIS 73 HN HIS 73 5.225 -5.795 9.813 499 HA HIS 73 HA HIS 73 4.826 -4.295 7.499 500 1HB HIS 73 HB2 HIS 73 4.750 -3.352 9.787 501 2HB HIS 73 HB1 HIS 73 6.497 -3.518 9.902 502 HD1 HIS 73 HD1 HIS 73 7.868 -1.603 9.051 503 HD2 HIS 73 HD2 HIS 73 3.915 -1.400 7.788 504 HE1 HIS 73 HE1 HIS 73 7.632 0.640 7.941 505 HE2 HIS 73 HE2 HIS 73 5.196 0.797 7.320 506 H LYS 74 HN LYS 74 7.933 -5.215 9.011 507 HA LYS 74 HA LYS 74 9.583 -4.035 7.064 508 1HB LYS 74 HB2 LYS 74 10.124 -6.404 8.866 509 2HB LYS 74 HB1 LYS 74 11.348 -5.574 7.915 510 1HG LYS 74 HG2 LYS 74 10.367 -3.474 9.230 511 2HG LYS 74 HG1 LYS 74 9.981 -4.737 10.400 512 1HD LYS 74 HD2 LYS 74 12.389 -5.482 10.202 513 2HD LYS 74 HD1 LYS 74 12.683 -3.997 9.295 514 1HE LYS 74 HE2 LYS 74 11.273 -3.258 11.620 515 2HE LYS 74 HE1 LYS 74 12.523 -4.391 12.131 516 1HZ LYS 74 HZ1 LYS 74 12.988 -1.823 11.878 517 2HZ LYS 74 HZ2 LYS 74 13.304 -2.267 10.277 518 3HZ LYS 74 HZ3 LYS 74 14.177 -2.976 11.541 519 H GLU 75 HN GLU 75 8.243 -7.311 7.311 520 HA GLU 75 HA GLU 75 9.554 -8.358 5.031 521 1HB GLU 75 HB2 GLU 75 7.872 -9.357 7.013 522 2HB GLU 75 HB1 GLU 75 6.943 -9.541 5.533 523 1HG GLU 75 HG2 GLU 75 8.260 -11.171 4.753 524 2HG GLU 75 HG1 GLU 75 9.736 -10.397 5.325 525 H ALA 76 HN ALA 76 6.469 -6.703 5.490 526 HA ALA 76 HA ALA 76 5.410 -7.138 2.917 527 1HB ALA 76 HB1 ALA 76 3.901 -6.421 4.571 528 2HB ALA 76 HB2 ALA 76 4.036 -5.068 3.447 529 3HB ALA 76 HB3 ALA 76 4.892 -5.023 4.987 530 H VAL 77 HN VAL 77 7.720 -4.792 4.132 531 HA VAL 77 HA VAL 77 7.578 -2.924 2.030 532 HB VAL 77 HB VAL 77 10.074 -3.630 3.585 533 1HG1 VAL 77 HG11 VAL 77 9.316 -0.925 2.541 534 2HG1 VAL 77 HG12 VAL 77 10.131 -2.102 1.511 535 3HG1 VAL 77 HG13 VAL 77 10.907 -1.539 2.991 536 1HG2 VAL 77 HG21 VAL 77 8.870 -3.073 5.397 537 2HG2 VAL 77 HG22 VAL 77 7.589 -2.328 4.442 538 3HG2 VAL 77 HG23 VAL 77 9.055 -1.420 4.813 539 H THR 78 HN THR 78 9.567 -5.831 2.470 540 HA THR 78 HA THR 78 11.040 -5.590 0.079 541 HB THR 78 HB THR 78 10.402 -8.315 1.084 542 HG1 THR 78 HG1 THR 78 11.355 -8.047 2.995 543 1HG2 THR 78 HG21 THR 78 12.510 -7.081 -0.345 544 2HG2 THR 78 HG22 THR 78 12.315 -8.779 0.090 545 3HG2 THR 78 HG23 THR 78 13.158 -7.680 1.181 546 H ILE 79 HN ILE 79 7.954 -7.154 0.831 547 HA ILE 79 HA ILE 79 7.569 -8.463 -1.626 548 HB ILE 79 HB ILE 79 5.415 -7.336 0.174 549 1HG1 ILE 79 HG12 ILE 79 6.397 -10.183 0.183 550 2HG1 ILE 79 HG11 ILE 79 7.166 -8.959 1.188 551 1HG2 ILE 79 HG21 ILE 79 4.177 -7.944 -1.616 552 2HG2 ILE 79 HG22 ILE 79 4.342 -9.549 -0.905 553 3HG2 ILE 79 HG23 ILE 79 5.402 -9.056 -2.226 554 1HD1 ILE 79 HD11 ILE 79 4.932 -10.501 1.804 555 2HD1 ILE 79 HD12 ILE 79 4.312 -8.876 1.511 556 3HD1 ILE 79 HD13 ILE 79 5.576 -9.135 2.714 557 H LEU 80 HN LEU 80 6.719 -5.184 -0.565 558 HA LEU 80 HA LEU 80 5.261 -4.429 -2.848 559 1HB LEU 80 HB2 LEU 80 6.889 -2.748 -0.942 560 2HB LEU 80 HB1 LEU 80 5.824 -2.092 -2.169 561 HG LEU 80 HG LEU 80 5.005 -3.758 0.209 562 1HD1 LEU 80 HD11 LEU 80 5.237 -1.699 1.128 563 2HD1 LEU 80 HD12 LEU 80 3.624 -1.496 0.446 564 3HD1 LEU 80 HD13 LEU 80 5.029 -0.863 -0.411 565 1HD2 LEU 80 HD21 LEU 80 3.366 -2.651 -2.066 566 2HD2 LEU 80 HD22 LEU 80 2.693 -3.298 -0.569 567 3HD2 LEU 80 HD23 LEU 80 3.605 -4.349 -1.653 568 H SER 81 HN SER 81 8.723 -4.313 -2.125 569 HA SER 81 HA SER 81 9.503 -2.847 -4.409 570 1HB SER 81 HB2 SER 81 10.897 -4.557 -2.409 571 2HB SER 81 HB1 SER 81 11.727 -4.264 -3.937 572 HG SER 81 HG SER 81 11.695 -2.675 -1.902 573 H GLN 82 HN GLN 82 8.840 -6.255 -3.885 574 HA GLN 82 HA GLN 82 10.024 -7.253 -6.250 575 1HB GLN 82 HB2 GLN 82 7.634 -8.419 -4.812 576 2HB GLN 82 HB1 GLN 82 8.754 -9.265 -5.870 577 1HG GLN 82 HG2 GLN 82 10.472 -8.340 -4.020 578 2HG GLN 82 HG1 GLN 82 9.019 -8.509 -3.038 579 1HE2 GLN 82 HE21 GLN 82 11.325 -10.023 -2.618 580 2HE2 GLN 82 HE22 GLN 82 10.974 -11.676 -2.976 581 H GLN 83 HN GLN 83 6.953 -5.695 -5.623 582 HA GLN 83 HA GLN 83 5.597 -6.524 -7.962 583 1HB GLN 83 HB2 GLN 83 5.160 -3.885 -6.565 584 2HB GLN 83 HB1 GLN 83 3.999 -4.825 -7.490 585 1HG GLN 83 HG2 GLN 83 5.120 -5.453 -4.772 586 2HG GLN 83 HG1 GLN 83 3.459 -5.038 -5.186 587 1HE2 GLN 83 HE21 GLN 83 4.260 -7.333 -3.741 588 2HE2 GLN 83 HE22 GLN 83 3.837 -8.722 -4.678 589 H ARG 84 HN ARG 84 6.464 -6.249 -9.918 590 HA ARG 84 HA ARG 84 7.710 -3.665 -10.578 591 1HB ARG 84 HB2 ARG 84 8.638 -6.255 -10.928 592 2HB ARG 84 HB1 ARG 84 8.061 -5.807 -12.526 593 1HG ARG 84 HG2 ARG 84 9.849 -4.554 -12.891 594 2HG ARG 84 HG1 ARG 84 9.600 -3.660 -11.390 595 1HD ARG 84 HD2 ARG 84 10.643 -6.373 -11.017 596 2HD ARG 84 HD1 ARG 84 11.719 -5.307 -11.920 597 HE ARG 84 HE ARG 84 11.026 -3.796 -9.794 598 1HH1 ARG 84 HH11 ARG 84 12.284 -7.051 -10.069 599 2HH1 ARG 84 HH12 ARG 84 13.110 -6.992 -8.548 600 1HH2 ARG 84 HH21 ARG 84 12.118 -3.726 -7.790 601 2HH2 ARG 84 HH22 ARG 84 13.016 -5.107 -7.256 602 H GLY 85 HN GLY 85 7.183 -2.600 -12.513 603 1HA GLY 85 HA2 GLY 85 5.818 -1.879 -14.211 604 2HA GLY 85 HA1 GLY 85 5.362 -3.561 -14.437 605 H GLU 86 HN GLU 86 3.405 -4.260 -13.741 606 HA GLU 86 HA GLU 86 1.542 -2.223 -12.831 607 1HB GLU 86 HB2 GLU 86 1.118 -3.989 -14.688 608 2HB GLU 86 HB1 GLU 86 0.833 -5.098 -13.354 609 1HG GLU 86 HG2 GLU 86 -1.097 -4.046 -12.703 610 2HG GLU 86 HG1 GLU 86 -0.614 -2.498 -13.394 611 H ILE 87 HN ILE 87 0.841 -2.023 -10.795 612 HA ILE 87 HA ILE 87 1.269 -4.274 -8.944 613 HB ILE 87 HB ILE 87 1.628 -1.386 -8.149 614 1HG1 ILE 87 HG12 ILE 87 3.773 -3.406 -8.855 615 2HG1 ILE 87 HG11 ILE 87 3.339 -1.999 -9.820 616 1HG2 ILE 87 HG21 ILE 87 1.768 -3.995 -6.782 617 2HG2 ILE 87 HG22 ILE 87 1.347 -2.401 -6.154 618 3HG2 ILE 87 HG23 ILE 87 3.040 -2.841 -6.377 619 1HD1 ILE 87 HD11 ILE 87 4.032 -0.547 -7.955 620 2HD1 ILE 87 HD12 ILE 87 5.343 -1.551 -8.576 621 3HD1 ILE 87 HD13 ILE 87 4.543 -1.981 -7.064 622 H GLU 88 HN GLU 88 -0.545 -4.910 -7.998 623 HA GLU 88 HA GLU 88 -2.868 -3.129 -8.011 624 1HB GLU 88 HB2 GLU 88 -2.522 -6.102 -7.731 625 2HB GLU 88 HB1 GLU 88 -4.019 -5.324 -7.237 626 1HG GLU 88 HG2 GLU 88 -4.031 -4.309 -9.596 627 2HG GLU 88 HG1 GLU 88 -2.830 -5.543 -9.973 628 H PHE 89 HN PHE 89 -3.882 -2.437 -6.187 629 HA PHE 89 HA PHE 89 -2.852 -3.364 -3.593 630 1HB PHE 89 HB2 PHE 89 -2.567 -0.726 -4.751 631 2HB PHE 89 HB1 PHE 89 -3.489 -0.651 -3.254 632 HD1 PHE 89 HD1 PHE 89 -2.442 -0.908 -1.160 633 HD2 PHE 89 HD2 PHE 89 -0.282 -1.735 -4.733 634 HE1 PHE 89 HE1 PHE 89 -0.353 -1.025 0.134 635 HE2 PHE 89 HE2 PHE 89 1.810 -1.854 -3.444 636 HZ PHE 89 HZ PHE 89 1.777 -1.498 -1.008 637 H GLU 90 HN GLU 90 -4.394 -3.841 -2.157 638 HA GLU 90 HA GLU 90 -7.138 -2.936 -2.733 639 1HB GLU 90 HB2 GLU 90 -6.042 -5.524 -1.707 640 2HB GLU 90 HB1 GLU 90 -7.645 -5.021 -1.188 641 1HG GLU 90 HG2 GLU 90 -8.402 -5.998 -3.030 642 2HG GLU 90 HG1 GLU 90 -7.721 -4.632 -3.911 643 H VAL 91 HN VAL 91 -7.798 -1.404 -1.396 644 HA VAL 91 HA VAL 91 -7.096 -1.597 1.453 645 HB VAL 91 HB VAL 91 -6.850 0.876 1.547 646 1HG1 VAL 91 HG11 VAL 91 -4.656 0.733 -0.058 647 2HG1 VAL 91 HG12 VAL 91 -4.993 -0.973 0.237 648 3HG1 VAL 91 HG13 VAL 91 -4.740 0.124 1.594 649 1HG2 VAL 91 HG21 VAL 91 -6.445 2.112 -0.537 650 2HG2 VAL 91 HG22 VAL 91 -8.086 1.473 -0.454 651 3HG2 VAL 91 HG23 VAL 91 -6.880 0.675 -1.463 652 H VAL 92 HN VAL 92 -8.473 -0.044 2.790 653 HA VAL 92 HA VAL 92 -11.151 0.357 1.653 654 HB VAL 92 HB VAL 92 -10.740 -0.918 4.363 655 1HG1 VAL 92 HG11 VAL 92 -12.838 -0.105 4.556 656 2HG1 VAL 92 HG12 VAL 92 -13.249 -1.546 3.627 657 3HG1 VAL 92 HG13 VAL 92 -13.073 0.008 2.812 658 1HG2 VAL 92 HG21 VAL 92 -9.974 -2.450 2.613 659 2HG2 VAL 92 HG22 VAL 92 -11.519 -2.270 1.782 660 3HG2 VAL 92 HG23 VAL 92 -11.458 -3.025 3.374 661 H TYR 93 HN TYR 93 -12.156 2.187 2.346 662 HA TYR 93 HA TYR 93 -10.639 4.139 3.765 663 1HB TYR 93 HB2 TYR 93 -12.700 4.269 1.991 664 2HB TYR 93 HB1 TYR 93 -13.551 4.583 3.495 665 HD1 TYR 93 HD1 TYR 93 -12.895 6.393 0.979 666 HD2 TYR 93 HD2 TYR 93 -11.293 6.081 4.911 667 HE1 TYR 93 HE1 TYR 93 -12.196 8.747 0.876 668 HE2 TYR 93 HE2 TYR 93 -10.593 8.433 4.817 669 HH TYR 93 HH TYR 93 -11.463 10.565 3.419 670 H VAL 94 HN VAL 94 -10.485 4.435 5.896 671 HA VAL 94 HA VAL 94 -12.635 3.381 7.616 672 HB VAL 94 HB VAL 94 -10.818 3.088 9.378 673 1HG1 VAL 94 HG11 VAL 94 -11.338 1.406 7.007 674 2HG1 VAL 94 HG12 VAL 94 -11.549 1.052 8.722 675 3HG1 VAL 94 HG13 VAL 94 -9.946 0.961 7.993 676 1HG2 VAL 94 HG21 VAL 94 -8.821 2.709 7.234 677 2HG2 VAL 94 HG22 VAL 94 -8.612 3.261 8.896 678 3HG2 VAL 94 HG23 VAL 94 -9.192 4.379 7.661 679 H ALA 95 HN ALA 95 -13.711 5.002 8.499 680 HA ALA 95 HA ALA 95 -12.235 7.204 9.735 681 1HB ALA 95 HB1 ALA 95 -13.907 8.826 8.762 682 2HB ALA 95 HB2 ALA 95 -14.387 7.537 7.658 683 3HB ALA 95 HB3 ALA 95 -12.736 8.155 7.626 Start of MODEL 15 1 HT1 PRO 9 HT2 PRO 9 -16.932 -1.385 2.916 2 HT2 PRO 9 HT1 PRO 9 -15.311 -1.120 2.994 3 HA PRO 9 HA PRO 9 -16.780 -1.356 0.874 4 1HB PRO 9 HB2 PRO 9 -15.964 1.386 0.417 5 2HB PRO 9 HB1 PRO 9 -17.550 0.641 0.181 6 1HG PRO 9 HG2 PRO 9 -17.028 2.447 2.155 7 2HG PRO 9 HG1 PRO 9 -18.266 1.186 2.284 8 1HD PRO 9 HD2 PRO 9 -15.479 1.228 3.407 9 2HD PRO 9 HD1 PRO 9 -16.992 0.707 4.177 10 H ILE 10 HN ILE 10 -15.182 -2.524 -0.017 11 HA ILE 10 HA ILE 10 -12.412 -1.780 0.234 12 HB ILE 10 HB ILE 10 -13.672 -3.996 -1.397 13 1HG1 ILE 10 HG12 ILE 10 -12.304 -5.142 0.704 14 2HG1 ILE 10 HG11 ILE 10 -13.008 -3.709 1.445 15 1HG2 ILE 10 HG21 ILE 10 -10.808 -3.357 -0.736 16 2HG2 ILE 10 HG22 ILE 10 -11.541 -3.585 -2.324 17 3HG2 ILE 10 HG23 ILE 10 -11.334 -4.963 -1.243 18 1HD1 ILE 10 HD11 ILE 10 -14.556 -5.778 -0.095 19 2HD1 ILE 10 HD12 ILE 10 -15.216 -4.404 0.790 20 3HD1 ILE 10 HD13 ILE 10 -14.419 -5.712 1.662 21 H ARG 11 HN ARG 11 -11.057 -0.971 -1.304 22 HA ARG 11 HA ARG 11 -12.273 -0.193 -3.876 23 1HB ARG 11 HB2 ARG 11 -11.466 1.558 -1.920 24 2HB ARG 11 HB1 ARG 11 -10.042 1.479 -2.949 25 1HG ARG 11 HG2 ARG 11 -11.927 1.792 -4.830 26 2HG ARG 11 HG1 ARG 11 -12.709 2.621 -3.482 27 1HD ARG 11 HD2 ARG 11 -10.102 3.541 -3.395 28 2HD ARG 11 HD1 ARG 11 -10.447 3.434 -5.122 29 HE ARG 11 HE ARG 11 -12.513 4.740 -3.603 30 1HH1 ARG 11 HH11 ARG 11 -9.485 5.205 -5.303 31 2HH1 ARG 11 HH12 ARG 11 -9.760 6.892 -5.583 32 1HH2 ARG 11 HH21 ARG 11 -12.867 6.962 -3.975 33 2HH2 ARG 11 HH22 ARG 11 -11.679 7.888 -4.830 34 H LYS 12 HN LYS 12 -11.197 -0.714 -5.677 35 HA LYS 12 HA LYS 12 -8.574 -2.013 -5.380 36 1HB LYS 12 HB2 LYS 12 -10.804 -2.337 -7.377 37 2HB LYS 12 HB1 LYS 12 -9.174 -2.882 -7.744 38 1HG LYS 12 HG2 LYS 12 -10.253 -4.781 -6.945 39 2HG LYS 12 HG1 LYS 12 -9.311 -4.209 -5.568 40 1HD LYS 12 HD2 LYS 12 -11.193 -4.246 -4.377 41 2HD LYS 12 HD1 LYS 12 -11.764 -2.895 -5.357 42 1HE LYS 12 HE2 LYS 12 -12.081 -5.737 -6.267 43 2HE LYS 12 HE1 LYS 12 -13.247 -4.987 -5.179 44 1HZ LYS 12 HZ1 LYS 12 -13.579 -3.238 -6.846 45 2HZ LYS 12 HZ2 LYS 12 -13.973 -4.768 -7.451 46 3HZ LYS 12 HZ3 LYS 12 -12.517 -4.032 -7.897 47 H VAL 13 HN VAL 13 -6.866 -0.858 -5.993 48 HA VAL 13 HA VAL 13 -7.162 1.012 -8.252 49 HB VAL 13 HB VAL 13 -5.491 2.502 -7.123 50 1HG1 VAL 13 HG11 VAL 13 -7.152 3.750 -6.237 51 2HG1 VAL 13 HG12 VAL 13 -7.768 2.426 -5.248 52 3HG1 VAL 13 HG13 VAL 13 -8.174 2.509 -6.962 53 1HG2 VAL 13 HG21 VAL 13 -5.009 0.461 -5.449 54 2HG2 VAL 13 HG22 VAL 13 -6.171 1.367 -4.480 55 3HG2 VAL 13 HG23 VAL 13 -4.689 2.145 -5.036 56 H LEU 14 HN LEU 14 -5.473 1.128 -9.693 57 HA LEU 14 HA LEU 14 -3.383 -0.914 -9.363 58 1HB LEU 14 HB2 LEU 14 -4.976 0.026 -11.627 59 2HB LEU 14 HB1 LEU 14 -3.263 -0.076 -11.988 60 HG LEU 14 HG LEU 14 -4.711 -2.395 -10.742 61 1HD1 LEU 14 HD11 LEU 14 -4.893 -1.395 -13.516 62 2HD1 LEU 14 HD12 LEU 14 -6.027 -2.367 -12.578 63 3HD1 LEU 14 HD13 LEU 14 -4.616 -3.125 -13.315 64 1HD2 LEU 14 HD21 LEU 14 -2.846 -3.429 -12.364 65 2HD2 LEU 14 HD22 LEU 14 -2.527 -2.979 -10.690 66 3HD2 LEU 14 HD23 LEU 14 -2.084 -1.882 -11.997 67 H LEU 15 HN LEU 15 -1.381 -0.282 -8.959 68 HA LEU 15 HA LEU 15 -0.615 2.499 -9.557 69 1HB LEU 15 HB2 LEU 15 -0.623 1.451 -7.144 70 2HB LEU 15 HB1 LEU 15 0.904 0.759 -7.656 71 HG LEU 15 HG LEU 15 1.336 3.334 -8.329 72 1HD1 LEU 15 HD11 LEU 15 0.423 4.843 -6.752 73 2HD1 LEU 15 HD12 LEU 15 -0.292 3.536 -5.808 74 3HD1 LEU 15 HD13 LEU 15 -0.934 3.924 -7.404 75 1HD2 LEU 15 HD21 LEU 15 1.738 2.042 -5.636 76 2HD2 LEU 15 HD22 LEU 15 2.531 3.526 -6.163 77 3HD2 LEU 15 HD23 LEU 15 2.844 2.011 -7.009 78 H LEU 16 HN LEU 16 1.218 2.933 -10.712 79 HA LEU 16 HA LEU 16 2.610 0.609 -11.872 80 1HB LEU 16 HB2 LEU 16 1.982 3.330 -12.991 81 2HB LEU 16 HB1 LEU 16 3.227 2.315 -13.692 82 HG LEU 16 HG LEU 16 0.310 1.574 -13.444 83 1HD1 LEU 16 HD11 LEU 16 0.757 1.641 -16.073 84 2HD1 LEU 16 HD12 LEU 16 1.901 2.884 -15.565 85 3HD1 LEU 16 HD13 LEU 16 0.191 3.042 -15.163 86 1HD2 LEU 16 HD21 LEU 16 1.286 -0.147 -15.236 87 2HD2 LEU 16 HD22 LEU 16 1.243 -0.492 -13.507 88 3HD2 LEU 16 HD23 LEU 16 2.735 0.080 -14.256 89 H LYS 17 HN LYS 17 4.627 0.315 -11.185 90 HA LYS 17 HA LYS 17 6.111 2.628 -10.132 91 1HB LYS 17 HB2 LYS 17 5.575 0.379 -8.806 92 2HB LYS 17 HB1 LYS 17 7.036 -0.157 -9.622 93 1HG LYS 17 HG2 LYS 17 7.297 2.467 -8.371 94 2HG LYS 17 HG1 LYS 17 6.923 1.172 -7.233 95 1HD LYS 17 HD2 LYS 17 8.880 0.133 -8.953 96 2HD LYS 17 HD1 LYS 17 9.402 1.775 -8.571 97 1HE LYS 17 HE2 LYS 17 8.632 -0.332 -6.550 98 2HE LYS 17 HE1 LYS 17 10.282 0.110 -6.983 99 1HZ LYS 17 HZ1 LYS 17 8.545 2.288 -6.129 100 2HZ LYS 17 HZ2 LYS 17 10.180 2.013 -5.798 101 3HZ LYS 17 HZ3 LYS 17 8.991 1.178 -4.934 102 H GLU 18 HN GLU 18 7.918 3.293 -11.090 103 HA GLU 18 HA GLU 18 9.077 1.612 -13.219 104 1HB GLU 18 HB2 GLU 18 8.041 4.277 -13.320 105 2HB GLU 18 HB1 GLU 18 9.773 4.346 -13.611 106 1HG GLU 18 HG2 GLU 18 7.835 2.599 -15.115 107 2HG GLU 18 HG1 GLU 18 8.455 4.152 -15.674 108 H ASP 19 HN ASP 19 11.405 2.083 -13.673 109 HA ASP 19 HA ASP 19 12.997 1.749 -11.408 110 1HB ASP 19 HB2 ASP 19 13.436 2.102 -14.267 111 2HB ASP 19 HB1 ASP 19 14.716 2.835 -13.306 112 H HIS 20 HN HIS 20 12.175 4.678 -13.191 113 HA HIS 20 HA HIS 20 13.878 6.325 -11.524 114 1HB HIS 20 HB2 HIS 20 13.190 8.168 -12.932 115 2HB HIS 20 HB1 HIS 20 13.618 6.795 -13.944 116 HD1 HIS 20 HD1 HIS 20 10.960 9.198 -13.340 117 HD2 HIS 20 HD2 HIS 20 11.249 5.387 -14.971 118 HE1 HIS 20 HE1 HIS 20 8.845 8.869 -14.660 119 HE2 HIS 20 HE2 HIS 20 9.006 6.524 -15.569 120 H GLU 21 HN GLU 21 10.548 5.330 -11.589 121 HA GLU 21 HA GLU 21 9.726 7.487 -9.808 122 1HB GLU 21 HB2 GLU 21 8.207 5.244 -11.135 123 2HB GLU 21 HB1 GLU 21 7.474 6.335 -9.967 124 1HG GLU 21 HG2 GLU 21 8.882 7.732 -12.093 125 2HG GLU 21 HG1 GLU 21 7.583 6.699 -12.686 126 H GLY 22 HN GLY 22 8.526 6.969 -7.813 127 1HA GLY 22 HA2 GLY 22 9.538 4.498 -6.543 128 2HA GLY 22 HA1 GLY 22 9.575 6.048 -5.717 129 H LEU 23 HN LEU 23 8.358 4.998 -4.030 130 HA LEU 23 HA LEU 23 5.738 3.974 -4.505 131 1HB LEU 23 HB2 LEU 23 7.529 4.276 -2.258 132 2HB LEU 23 HB1 LEU 23 5.907 4.764 -1.812 133 HG LEU 23 HG LEU 23 6.203 2.175 -3.243 134 1HD1 LEU 23 HD11 LEU 23 7.093 0.984 -1.512 135 2HD1 LEU 23 HD12 LEU 23 6.586 2.156 -0.296 136 3HD1 LEU 23 HD13 LEU 23 7.981 2.496 -1.320 137 1HD2 LEU 23 HD21 LEU 23 4.584 2.490 -0.801 138 2HD2 LEU 23 HD22 LEU 23 4.183 1.735 -2.344 139 3HD2 LEU 23 HD23 LEU 23 4.106 3.488 -2.174 140 H GLY 24 HN GLY 24 6.689 6.839 -2.581 141 1HA GLY 24 HA2 GLY 24 5.828 9.012 -2.791 142 2HA GLY 24 HA1 GLY 24 4.592 8.402 -3.872 143 H ILE 25 HN ILE 25 4.702 6.408 -1.171 144 HA ILE 25 HA ILE 25 2.814 8.067 0.347 145 HB ILE 25 HB ILE 25 1.384 6.036 0.716 146 1HG1 ILE 25 HG12 ILE 25 2.318 4.838 -1.820 147 2HG1 ILE 25 HG11 ILE 25 3.406 4.644 -0.450 148 1HG2 ILE 25 HG21 ILE 25 0.310 7.495 -0.656 149 2HG2 ILE 25 HG22 ILE 25 0.501 6.151 -1.780 150 3HG2 ILE 25 HG23 ILE 25 1.614 7.517 -1.842 151 1HD1 ILE 25 HD11 ILE 25 0.501 3.948 -0.260 152 2HD1 ILE 25 HD12 ILE 25 1.835 3.428 0.771 153 3HD1 ILE 25 HD13 ILE 25 1.700 2.812 -0.876 154 H SER 26 HN SER 26 2.783 7.729 2.547 155 HA SER 26 HA SER 26 4.931 6.010 3.589 156 1HB SER 26 HB2 SER 26 3.545 8.348 4.929 157 2HB SER 26 HB1 SER 26 4.926 7.452 5.562 158 HG SER 26 HG SER 26 6.224 8.416 4.156 159 H ILE 27 HN ILE 27 4.519 4.421 5.037 160 HA ILE 27 HA ILE 27 1.721 4.066 5.907 161 HB ILE 27 HB ILE 27 2.097 1.621 5.818 162 1HG1 ILE 27 HG12 ILE 27 4.647 2.323 4.345 163 2HG1 ILE 27 HG11 ILE 27 4.586 1.717 5.996 164 1HG2 ILE 27 HG21 ILE 27 1.372 1.508 3.686 165 2HG2 ILE 27 HG22 ILE 27 2.733 2.439 3.059 166 3HG2 ILE 27 HG23 ILE 27 1.370 3.267 3.814 167 1HD1 ILE 27 HD11 ILE 27 4.490 0.284 3.500 168 2HD1 ILE 27 HD12 ILE 27 3.113 -0.117 4.526 169 3HD1 ILE 27 HD13 ILE 27 4.755 -0.316 5.137 170 H THR 28 HN THR 28 1.398 2.936 7.919 171 HA THR 28 HA THR 28 3.735 2.775 9.682 172 HB THR 28 HB THR 28 2.676 4.045 11.432 173 HG1 THR 28 HG1 THR 28 0.628 4.861 11.238 174 1HG2 THR 28 HG21 THR 28 2.666 6.229 10.570 175 2HG2 THR 28 HG22 THR 28 2.200 5.675 8.962 176 3HG2 THR 28 HG23 THR 28 3.815 5.329 9.580 177 H GLY 29 HN GLY 29 2.993 1.854 11.914 178 1HA GLY 29 HA2 GLY 29 1.542 0.387 13.108 179 2HA GLY 29 HA1 GLY 29 0.838 -0.118 11.579 180 H GLY 30 HN GLY 30 1.149 -2.316 12.362 181 1HA GLY 30 HA2 GLY 30 3.294 -3.632 11.218 182 2HA GLY 30 HA1 GLY 30 3.762 -3.335 12.882 183 H LYS 31 HN LYS 31 2.628 -5.647 10.958 184 HA LYS 31 HA LYS 31 0.394 -6.732 12.267 185 1HB LYS 31 HB2 LYS 31 1.643 -7.371 10.012 186 2HB LYS 31 HB1 LYS 31 2.413 -8.561 11.053 187 1HG LYS 31 HG2 LYS 31 -0.547 -8.341 11.143 188 2HG LYS 31 HG1 LYS 31 0.195 -9.087 9.726 189 1HD LYS 31 HD2 LYS 31 0.985 -10.879 10.910 190 2HD LYS 31 HD1 LYS 31 1.129 -9.961 12.411 191 1HE LYS 31 HE2 LYS 31 -1.407 -9.907 12.451 192 2HE LYS 31 HE1 LYS 31 -1.356 -11.108 11.162 193 1HZ LYS 31 HZ1 LYS 31 0.053 -11.514 13.735 194 2HZ LYS 31 HZ2 LYS 31 -0.357 -12.669 12.570 195 3HZ LYS 31 HZ3 LYS 31 -1.564 -11.963 13.520 196 H GLU 32 HN GLU 32 3.855 -7.098 12.879 197 HA GLU 32 HA GLU 32 3.678 -9.195 14.761 198 1HB GLU 32 HB2 GLU 32 5.938 -8.447 15.486 199 2HB GLU 32 HB1 GLU 32 5.800 -8.670 13.748 200 1HG GLU 32 HG2 GLU 32 5.517 -6.229 13.491 201 2HG GLU 32 HG1 GLU 32 5.758 -6.046 15.228 202 H HIS 33 HN HIS 33 3.265 -5.727 15.044 203 HA HIS 33 HA HIS 33 3.342 -5.700 17.918 204 1HB HIS 33 HB2 HIS 33 2.709 -3.687 15.790 205 2HB HIS 33 HB1 HIS 33 2.246 -3.359 17.455 206 HD1 HIS 33 HD1 HIS 33 4.628 -4.212 19.040 207 HD2 HIS 33 HD2 HIS 33 4.974 -2.274 15.380 208 HE1 HIS 33 HE1 HIS 33 6.908 -3.156 19.052 209 HE2 HIS 33 HE2 HIS 33 7.135 -2.075 16.788 210 H GLY 34 HN GLY 34 0.895 -6.085 15.451 211 1HA GLY 34 HA2 GLY 34 -1.132 -7.272 16.058 212 2HA GLY 34 HA1 GLY 34 -1.114 -6.412 17.587 213 H VAL 35 HN VAL 35 -0.473 -4.822 14.518 214 HA VAL 35 HA VAL 35 -3.187 -3.751 14.427 215 HB VAL 35 HB VAL 35 -2.294 -1.422 14.125 216 1HG1 VAL 35 HG11 VAL 35 -1.958 -2.787 16.787 217 2HG1 VAL 35 HG12 VAL 35 -3.392 -1.969 16.168 218 3HG1 VAL 35 HG13 VAL 35 -1.949 -1.037 16.572 219 1HG2 VAL 35 HG21 VAL 35 0.007 -1.319 15.544 220 2HG2 VAL 35 HG22 VAL 35 -0.072 -1.345 13.783 221 3HG2 VAL 35 HG23 VAL 35 0.227 -2.836 14.673 222 HA PRO 36 HA PRO 36 -2.500 -4.438 10.088 223 1HB PRO 36 HB2 PRO 36 -4.667 -2.461 9.701 224 2HB PRO 36 HB1 PRO 36 -4.574 -4.146 9.182 225 1HG PRO 36 HG2 PRO 36 -6.176 -3.388 11.192 226 2HG PRO 36 HG1 PRO 36 -5.342 -4.951 11.205 227 1HD PRO 36 HD2 PRO 36 -4.679 -2.437 12.680 228 2HD PRO 36 HD1 PRO 36 -4.581 -4.125 13.226 229 H ILE 37 HN ILE 37 -1.780 -3.294 8.202 230 HA ILE 37 HA ILE 37 -0.346 -0.865 8.853 231 HB ILE 37 HB ILE 37 -0.435 -2.276 6.184 232 1HG1 ILE 37 HG12 ILE 37 0.314 -3.907 7.780 233 2HG1 ILE 37 HG11 ILE 37 1.735 -3.310 6.929 234 1HG2 ILE 37 HG21 ILE 37 1.974 -1.191 6.243 235 2HG2 ILE 37 HG22 ILE 37 1.181 -0.074 7.352 236 3HG2 ILE 37 HG23 ILE 37 0.562 -0.279 5.714 237 1HD1 ILE 37 HD11 ILE 37 0.938 -2.987 9.759 238 2HD1 ILE 37 HD12 ILE 37 1.803 -1.652 8.998 239 3HD1 ILE 37 HD13 ILE 37 2.529 -3.258 9.048 240 H LEU 38 HN LEU 38 -0.964 1.145 8.373 241 HA LEU 38 HA LEU 38 -3.078 1.525 6.361 242 1HB LEU 38 HB2 LEU 38 -2.885 2.830 9.076 243 2HB LEU 38 HB1 LEU 38 -4.002 3.328 7.820 244 HG LEU 38 HG LEU 38 -4.697 0.745 7.970 245 1HD1 LEU 38 HD11 LEU 38 -4.287 -0.304 9.921 246 2HD1 LEU 38 HD12 LEU 38 -4.334 1.188 10.861 247 3HD1 LEU 38 HD13 LEU 38 -2.883 0.762 9.953 248 1HD2 LEU 38 HD21 LEU 38 -5.827 2.409 10.138 249 2HD2 LEU 38 HD22 LEU 38 -6.637 1.507 8.858 250 3HD2 LEU 38 HD23 LEU 38 -5.902 3.071 8.506 251 H ILE 39 HN ILE 39 -3.064 3.509 5.237 252 HA ILE 39 HA ILE 39 -0.451 4.641 4.850 253 HB ILE 39 HB ILE 39 -3.053 5.648 3.689 254 1HG1 ILE 39 HG12 ILE 39 -2.780 3.247 3.195 255 2HG1 ILE 39 HG11 ILE 39 -2.608 4.231 1.745 256 1HG2 ILE 39 HG21 ILE 39 -1.336 7.242 3.365 257 2HG2 ILE 39 HG22 ILE 39 -1.505 6.380 1.836 258 3HG2 ILE 39 HG23 ILE 39 -0.166 5.999 2.919 259 1HD1 ILE 39 HD11 ILE 39 -0.868 2.796 1.472 260 2HD1 ILE 39 HD12 ILE 39 -0.586 2.628 3.204 261 3HD1 ILE 39 HD13 ILE 39 -0.054 4.083 2.362 262 H SER 40 HN SER 40 0.376 6.151 6.148 263 HA SER 40 HA SER 40 -1.347 7.801 7.787 264 1HB SER 40 HB2 SER 40 1.533 7.134 7.727 265 2HB SER 40 HB1 SER 40 1.139 8.755 8.300 266 HG SER 40 HG SER 40 -0.211 7.827 9.857 267 H GLU 41 HN GLU 41 1.040 8.330 5.185 268 HA GLU 41 HA GLU 41 -0.337 10.822 4.524 269 1HB GLU 41 HB2 GLU 41 2.454 10.617 5.525 270 2HB GLU 41 HB1 GLU 41 2.164 11.723 4.190 271 1HG GLU 41 HG2 GLU 41 0.283 12.680 5.637 272 2HG GLU 41 HG1 GLU 41 1.036 11.799 6.964 273 H ILE 42 HN ILE 42 0.323 11.702 2.417 274 HA ILE 42 HA ILE 42 1.503 9.688 0.625 275 HB ILE 42 HB ILE 42 -0.929 11.340 -0.078 276 1HG1 ILE 42 HG12 ILE 42 -1.808 8.774 -0.127 277 2HG1 ILE 42 HG11 ILE 42 -0.661 8.682 1.206 278 1HG2 ILE 42 HG21 ILE 42 -0.133 10.872 -2.131 279 2HG2 ILE 42 HG22 ILE 42 -0.881 9.302 -1.839 280 3HG2 ILE 42 HG23 ILE 42 0.847 9.520 -1.563 281 1HD1 ILE 42 HD11 ILE 42 -2.714 9.168 2.199 282 2HD1 ILE 42 HD12 ILE 42 -3.125 10.367 0.972 283 3HD1 ILE 42 HD13 ILE 42 -1.865 10.713 2.156 284 H HIS 43 HN HIS 43 3.241 10.541 -0.306 285 HA HIS 43 HA HIS 43 3.851 13.300 -0.289 286 1HB HIS 43 HB2 HIS 43 5.069 10.910 -1.649 287 2HB HIS 43 HB1 HIS 43 5.666 12.533 -1.978 288 HD1 HIS 43 HD1 HIS 43 6.952 13.733 -0.085 289 HD2 HIS 43 HD2 HIS 43 5.710 9.886 0.881 290 HE1 HIS 43 HE1 HIS 43 8.194 13.133 2.017 291 HE2 HIS 43 HE2 HIS 43 7.349 10.842 2.638 292 HA PRO 44 HA PRO 44 1.594 14.568 -3.903 293 1HB PRO 44 HB2 PRO 44 2.622 17.048 -4.162 294 2HB PRO 44 HB1 PRO 44 1.490 16.623 -2.872 295 1HG PRO 44 HG2 PRO 44 4.474 16.858 -2.774 296 2HG PRO 44 HG1 PRO 44 3.267 17.434 -1.609 297 1HD PRO 44 HD2 PRO 44 4.682 15.134 -1.270 298 2HD PRO 44 HD1 PRO 44 3.045 15.367 -0.629 299 H GLY 45 HN GLY 45 1.891 14.918 -6.121 300 1HA GLY 45 HA2 GLY 45 2.981 14.936 -8.153 301 2HA GLY 45 HA1 GLY 45 4.463 15.334 -7.298 302 H GLN 46 HN GLN 46 2.534 12.488 -6.582 303 HA GLN 46 HA GLN 46 4.569 10.802 -7.874 304 1HB GLN 46 HB2 GLN 46 3.834 10.967 -5.049 305 2HB GLN 46 HB1 GLN 46 3.716 9.333 -5.686 306 1HG GLN 46 HG2 GLN 46 5.891 9.156 -5.295 307 2HG GLN 46 HG1 GLN 46 6.129 10.230 -6.671 308 1HE2 GLN 46 HE21 GLN 46 6.168 12.559 -6.197 309 2HE2 GLN 46 HE22 GLN 46 6.858 13.083 -4.703 310 HA PRO 47 HA PRO 47 1.449 8.247 -9.668 311 1HB PRO 47 HB2 PRO 47 1.815 5.770 -8.426 312 2HB PRO 47 HB1 PRO 47 2.644 6.334 -9.878 313 1HG PRO 47 HG2 PRO 47 3.574 6.310 -7.049 314 2HG PRO 47 HG1 PRO 47 4.495 6.046 -8.539 315 1HD PRO 47 HD2 PRO 47 4.653 8.352 -7.182 316 2HD PRO 47 HD1 PRO 47 4.708 8.317 -8.958 317 H ALA 48 HN ALA 48 1.677 8.169 -6.159 318 HA ALA 48 HA ALA 48 -0.719 6.897 -5.521 319 1HB ALA 48 HB1 ALA 48 0.218 9.205 -3.881 320 2HB ALA 48 HB2 ALA 48 1.237 7.773 -4.018 321 3HB ALA 48 HB3 ALA 48 -0.397 7.634 -3.372 322 H ASP 49 HN ASP 49 -0.082 10.348 -6.131 323 HA ASP 49 HA ASP 49 -2.780 11.171 -5.713 324 1HB ASP 49 HB2 ASP 49 -0.294 12.440 -6.758 325 2HB ASP 49 HB1 ASP 49 -1.829 13.194 -7.176 326 H ARG 50 HN ARG 50 -0.889 10.263 -8.556 327 HA ARG 50 HA ARG 50 -2.658 11.042 -10.563 328 1HB ARG 50 HB2 ARG 50 -0.697 8.753 -10.422 329 2HB ARG 50 HB1 ARG 50 -1.598 9.145 -11.881 330 1HG ARG 50 HG2 ARG 50 -0.565 11.563 -11.306 331 2HG ARG 50 HG1 ARG 50 0.690 10.517 -10.639 332 1HD ARG 50 HD2 ARG 50 -0.359 9.881 -13.343 333 2HD ARG 50 HD1 ARG 50 0.690 11.287 -13.180 334 HE ARG 50 HE ARG 50 2.077 9.359 -11.899 335 1HH1 ARG 50 HH11 ARG 50 0.591 9.495 -15.066 336 2HH1 ARG 50 HH12 ARG 50 1.737 8.417 -15.788 337 1HH2 ARG 50 HH21 ARG 50 3.591 7.938 -12.858 338 2HH2 ARG 50 HH22 ARG 50 3.439 7.533 -14.535 339 H CYS 51 HN CYS 51 -2.599 8.088 -8.608 340 HA CYS 51 HA CYS 51 -4.671 6.764 -10.041 341 1HB CYS 51 HB2 CYS 51 -2.859 5.953 -8.201 342 2HB CYS 51 HB1 CYS 51 -4.291 6.084 -7.186 343 HG CYS 51 HG CYS 51 -5.455 4.338 -8.778 344 H GLY 52 HN GLY 52 -4.660 9.110 -7.441 345 1HA GLY 52 HA2 GLY 52 -6.397 10.300 -6.510 346 2HA GLY 52 HA1 GLY 52 -7.455 9.586 -7.716 347 H GLY 53 HN GLY 53 -5.638 7.404 -5.748 348 1HA GLY 53 HA2 GLY 53 -8.065 6.839 -4.157 349 2HA GLY 53 HA1 GLY 53 -7.008 5.583 -4.781 350 H LEU 54 HN LEU 54 -4.550 7.074 -4.110 351 HA LEU 54 HA LEU 54 -4.222 6.108 -1.456 352 1HB LEU 54 HB2 LEU 54 -2.520 7.506 -3.457 353 2HB LEU 54 HB1 LEU 54 -2.012 7.573 -1.782 354 HG LEU 54 HG LEU 54 -0.932 5.747 -3.051 355 1HD1 LEU 54 HD11 LEU 54 -1.322 5.642 -0.589 356 2HD1 LEU 54 HD12 LEU 54 -1.176 4.072 -1.376 357 3HD1 LEU 54 HD13 LEU 54 -2.765 4.682 -0.915 358 1HD2 LEU 54 HD21 LEU 54 -2.738 5.192 -4.575 359 2HD2 LEU 54 HD22 LEU 54 -3.729 4.631 -3.228 360 3HD2 LEU 54 HD23 LEU 54 -2.254 3.767 -3.656 361 H HIS 55 HN HIS 55 -5.713 7.169 -0.172 362 HA HIS 55 HA HIS 55 -5.312 10.059 0.236 363 1HB HIS 55 HB2 HIS 55 -7.602 9.974 1.292 364 2HB HIS 55 HB1 HIS 55 -7.570 9.604 -0.429 365 HD1 HIS 55 HD1 HIS 55 -7.258 7.488 2.742 366 HD2 HIS 55 HD2 HIS 55 -9.210 7.517 -0.929 367 HE1 HIS 55 HE1 HIS 55 -8.630 5.387 2.695 368 HE2 HIS 55 HE2 HIS 55 -9.802 5.418 0.467 369 H VAL 56 HN VAL 56 -5.453 10.874 2.438 370 HA VAL 56 HA VAL 56 -3.842 9.428 4.254 371 HB VAL 56 HB VAL 56 -5.662 11.737 4.970 372 1HG1 VAL 56 HG11 VAL 56 -2.972 11.221 6.161 373 2HG1 VAL 56 HG12 VAL 56 -4.367 10.308 6.733 374 3HG1 VAL 56 HG13 VAL 56 -4.358 12.068 6.844 375 1HG2 VAL 56 HG21 VAL 56 -3.477 13.064 4.567 376 2HG2 VAL 56 HG22 VAL 56 -4.477 12.623 3.184 377 3HG2 VAL 56 HG23 VAL 56 -3.025 11.694 3.553 378 H GLY 57 HN GLY 57 -4.331 8.208 6.049 379 1HA GLY 57 HA2 GLY 57 -5.601 6.994 7.555 380 2HA GLY 57 HA1 GLY 57 -6.984 7.989 7.120 381 H ASP 58 HN ASP 58 -4.900 5.726 5.330 382 HA ASP 58 HA ASP 58 -7.331 4.374 4.359 383 1HB ASP 58 HB2 ASP 58 -5.987 5.525 2.640 384 2HB ASP 58 HB1 ASP 58 -4.594 4.545 3.082 385 H ALA 59 HN ALA 59 -7.526 2.156 4.555 386 HA ALA 59 HA ALA 59 -5.408 0.817 6.113 387 1HB ALA 59 HB1 ALA 59 -8.255 0.883 6.391 388 2HB ALA 59 HB2 ALA 59 -7.045 0.180 7.464 389 3HB ALA 59 HB3 ALA 59 -7.719 -0.778 6.145 390 H ILE 60 HN ILE 60 -4.271 -0.790 5.222 391 HA ILE 60 HA ILE 60 -5.005 -1.745 2.560 392 HB ILE 60 HB ILE 60 -2.524 -2.458 4.121 393 1HG1 ILE 60 HG12 ILE 60 -2.157 -0.525 1.976 394 2HG1 ILE 60 HG11 ILE 60 -3.197 0.099 3.252 395 1HG2 ILE 60 HG21 ILE 60 -3.466 -2.879 1.335 396 2HG2 ILE 60 HG22 ILE 60 -2.572 -3.958 2.404 397 3HG2 ILE 60 HG23 ILE 60 -1.743 -2.621 1.607 398 1HD1 ILE 60 HD11 ILE 60 -1.225 0.720 4.135 399 2HD1 ILE 60 HD12 ILE 60 -0.326 -0.540 3.290 400 3HD1 ILE 60 HD13 ILE 60 -1.236 -0.934 4.749 401 H LEU 61 HN LEU 61 -5.240 -3.915 2.007 402 HA LEU 61 HA LEU 61 -5.458 -5.842 4.213 403 1HB LEU 61 HB2 LEU 61 -7.518 -5.295 2.084 404 2HB LEU 61 HB1 LEU 61 -7.485 -6.788 3.002 405 HG LEU 61 HG LEU 61 -7.797 -4.037 4.211 406 1HD1 LEU 61 HD11 LEU 61 -10.132 -4.771 4.627 407 2HD1 LEU 61 HD12 LEU 61 -9.834 -6.170 3.596 408 3HD1 LEU 61 HD13 LEU 61 -9.752 -4.543 2.920 409 1HD2 LEU 61 HD21 LEU 61 -8.695 -5.695 6.089 410 2HD2 LEU 61 HD22 LEU 61 -7.000 -5.219 5.981 411 3HD2 LEU 61 HD23 LEU 61 -7.523 -6.771 5.326 412 H ALA 62 HN ALA 62 -5.555 -5.529 0.645 413 HA ALA 62 HA ALA 62 -3.675 -7.780 0.479 414 1HB ALA 62 HB1 ALA 62 -5.128 -8.321 -1.695 415 2HB ALA 62 HB2 ALA 62 -6.398 -7.645 -0.675 416 3HB ALA 62 HB3 ALA 62 -5.466 -9.034 -0.118 417 H VAL 63 HN VAL 63 -2.289 -7.764 -1.296 418 HA VAL 63 HA VAL 63 -2.433 -5.447 -3.099 419 HB VAL 63 HB VAL 63 0.142 -6.319 -1.776 420 1HG1 VAL 63 HG11 VAL 63 0.541 -5.323 -3.909 421 2HG1 VAL 63 HG12 VAL 63 0.947 -4.129 -2.678 422 3HG1 VAL 63 HG13 VAL 63 -0.572 -4.000 -3.563 423 1HG2 VAL 63 HG21 VAL 63 0.018 -4.357 -0.386 424 2HG2 VAL 63 HG22 VAL 63 -1.440 -5.319 -0.145 425 3HG2 VAL 63 HG23 VAL 63 -1.497 -3.866 -1.143 426 H ASN 64 HN ASN 64 -2.504 -6.225 -5.093 427 HA ASN 64 HA ASN 64 -2.179 -7.509 -6.936 428 1HB ASN 64 HB2 ASN 64 0.322 -6.923 -5.957 429 2HB ASN 64 HB1 ASN 64 0.383 -8.676 -6.097 430 1HD2 ASN 64 HD21 ASN 64 2.015 -7.113 -7.626 431 2HD2 ASN 64 HD22 ASN 64 1.517 -7.189 -9.279 432 H GLY 65 HN GLY 65 -3.566 -8.701 -4.691 433 1HA GLY 65 HA2 GLY 65 -4.621 -10.789 -4.565 434 2HA GLY 65 HA1 GLY 65 -3.312 -11.488 -5.501 435 H VAL 66 HN VAL 66 -1.472 -9.977 -3.448 436 HA VAL 66 HA VAL 66 -1.285 -12.246 -1.643 437 HB VAL 66 HB VAL 66 0.525 -9.830 -1.764 438 1HG1 VAL 66 HG11 VAL 66 1.525 -12.492 -0.976 439 2HG1 VAL 66 HG12 VAL 66 0.425 -11.711 0.158 440 3HG1 VAL 66 HG13 VAL 66 1.909 -10.897 -0.332 441 1HG2 VAL 66 HG21 VAL 66 0.325 -12.196 -3.525 442 2HG2 VAL 66 HG22 VAL 66 1.947 -11.730 -3.015 443 3HG2 VAL 66 HG23 VAL 66 0.925 -10.573 -3.867 444 H ASN 67 HN ASN 67 -1.677 -12.208 0.519 445 HA ASN 67 HA ASN 67 -3.291 -10.073 1.550 446 1HB ASN 67 HB2 ASN 67 -3.497 -12.595 2.064 447 2HB ASN 67 HB1 ASN 67 -2.174 -12.336 3.199 448 1HD2 ASN 67 HD21 ASN 67 -3.630 -12.971 4.873 449 2HD2 ASN 67 HD22 ASN 67 -4.788 -11.851 5.496 450 H LEU 68 HN LEU 68 -2.772 -8.475 2.951 451 HA LEU 68 HA LEU 68 0.067 -8.149 3.593 452 1HB LEU 68 HB2 LEU 68 -1.489 -6.359 2.480 453 2HB LEU 68 HB1 LEU 68 -1.989 -6.048 4.132 454 HG LEU 68 HG LEU 68 0.932 -6.103 3.679 455 1HD1 LEU 68 HD11 LEU 68 1.155 -4.318 2.333 456 2HD1 LEU 68 HD12 LEU 68 -0.301 -3.535 2.946 457 3HD1 LEU 68 HD13 LEU 68 -0.430 -4.817 1.741 458 1HD2 LEU 68 HD21 LEU 68 0.505 -5.425 5.802 459 2HD2 LEU 68 HD22 LEU 68 -1.052 -4.711 5.384 460 3HD2 LEU 68 HD23 LEU 68 0.441 -3.850 5.013 461 H ARG 69 HN ARG 69 -3.018 -8.713 5.127 462 HA ARG 69 HA ARG 69 -2.252 -7.927 7.753 463 1HB ARG 69 HB2 ARG 69 -4.622 -8.700 6.555 464 2HB ARG 69 HB1 ARG 69 -4.268 -10.033 7.648 465 1HG ARG 69 HG2 ARG 69 -3.777 -7.758 9.158 466 2HG ARG 69 HG1 ARG 69 -5.225 -7.371 8.229 467 1HD ARG 69 HD2 ARG 69 -6.310 -8.449 9.867 468 2HD ARG 69 HD1 ARG 69 -5.772 -9.909 9.042 469 HE ARG 69 HE ARG 69 -4.493 -10.373 10.863 470 1HH1 ARG 69 HH11 ARG 69 -5.022 -6.911 10.801 471 2HH1 ARG 69 HH12 ARG 69 -4.250 -6.639 12.326 472 1HH2 ARG 69 HH21 ARG 69 -3.487 -10.009 12.884 473 2HH2 ARG 69 HH22 ARG 69 -3.379 -8.398 13.510 474 H ASP 70 HN ASP 70 -1.516 -10.690 5.852 475 HA ASP 70 HA ASP 70 -0.863 -12.299 8.203 476 1HB ASP 70 HB2 ASP 70 -2.102 -13.205 6.137 477 2HB ASP 70 HB1 ASP 70 -0.532 -13.171 5.340 478 H THR 71 HN THR 71 0.681 -9.865 6.873 479 HA THR 71 HA THR 71 3.311 -11.139 7.154 480 HB THR 71 HB THR 71 3.068 -10.903 4.793 481 HG1 THR 71 HG1 THR 71 5.074 -10.235 5.371 482 1HG2 THR 71 HG21 THR 71 1.211 -9.324 4.715 483 2HG2 THR 71 HG22 THR 71 2.537 -8.834 3.662 484 3HG2 THR 71 HG23 THR 71 2.296 -8.024 5.210 485 H LYS 72 HN LYS 72 4.983 -9.793 7.940 486 HA LYS 72 HA LYS 72 4.098 -7.790 9.791 487 1HB LYS 72 HB2 LYS 72 6.689 -9.111 9.135 488 2HB LYS 72 HB1 LYS 72 6.748 -7.574 9.985 489 1HG LYS 72 HG2 LYS 72 6.831 -9.358 11.578 490 2HG LYS 72 HG1 LYS 72 5.284 -8.526 11.734 491 1HD LYS 72 HD2 LYS 72 4.149 -10.280 10.555 492 2HD LYS 72 HD1 LYS 72 5.679 -11.058 10.142 493 1HE LYS 72 HE2 LYS 72 4.494 -10.754 12.901 494 2HE LYS 72 HE1 LYS 72 4.611 -12.243 11.965 495 1HZ LYS 72 HZ1 LYS 72 7.104 -11.825 12.006 496 2HZ LYS 72 HZ2 LYS 72 6.388 -12.324 13.455 497 3HZ LYS 72 HZ3 LYS 72 6.794 -10.698 13.231 498 H HIS 73 HN HIS 73 5.088 -5.620 9.947 499 HA HIS 73 HA HIS 73 4.639 -4.060 7.698 500 1HB HIS 73 HB2 HIS 73 4.965 -3.429 10.242 501 2HB HIS 73 HB1 HIS 73 6.622 -3.130 9.738 502 HD1 HIS 73 HD1 HIS 73 3.798 -2.302 7.421 503 HD2 HIS 73 HD2 HIS 73 6.329 -0.371 10.091 504 HE1 HIS 73 HE1 HIS 73 3.476 0.152 6.997 505 HE2 HIS 73 HE2 HIS 73 5.099 1.297 8.543 506 H LYS 74 HN LYS 74 7.796 -5.080 9.031 507 HA LYS 74 HA LYS 74 9.368 -3.914 7.008 508 1HB LYS 74 HB2 LYS 74 9.800 -5.966 9.112 509 2HB LYS 74 HB1 LYS 74 10.940 -5.957 7.774 510 1HG LYS 74 HG2 LYS 74 11.993 -4.178 8.572 511 2HG LYS 74 HG1 LYS 74 10.483 -3.286 8.768 512 1HD LYS 74 HD2 LYS 74 10.303 -5.054 10.817 513 2HD LYS 74 HD1 LYS 74 12.050 -4.821 10.734 514 1HE LYS 74 HE2 LYS 74 11.112 -3.224 12.274 515 2HE LYS 74 HE1 LYS 74 11.689 -2.376 10.841 516 1HZ LYS 74 HZ1 LYS 74 9.311 -1.941 11.888 517 2HZ LYS 74 HZ2 LYS 74 8.890 -3.206 10.849 518 3HZ LYS 74 HZ3 LYS 74 9.601 -1.804 10.227 519 H GLU 75 HN GLU 75 7.955 -7.156 7.306 520 HA GLU 75 HA GLU 75 9.135 -8.249 4.986 521 1HB GLU 75 HB2 GLU 75 6.829 -8.964 6.733 522 2HB GLU 75 HB1 GLU 75 6.926 -9.716 5.149 523 1HG GLU 75 HG2 GLU 75 9.400 -9.763 6.743 524 2HG GLU 75 HG1 GLU 75 8.059 -10.726 7.359 525 H ALA 76 HN ALA 76 6.130 -6.462 5.516 526 HA ALA 76 HA ALA 76 5.005 -6.862 2.967 527 1HB ALA 76 HB1 ALA 76 3.513 -6.069 4.559 528 2HB ALA 76 HB2 ALA 76 3.792 -4.658 3.537 529 3HB ALA 76 HB3 ALA 76 4.607 -4.793 5.095 530 H VAL 77 HN VAL 77 7.380 -4.551 4.151 531 HA VAL 77 HA VAL 77 7.306 -2.742 1.992 532 HB VAL 77 HB VAL 77 9.739 -3.456 3.643 533 1HG1 VAL 77 HG11 VAL 77 9.851 -2.007 1.473 534 2HG1 VAL 77 HG12 VAL 77 10.708 -1.492 2.924 535 3HG1 VAL 77 HG13 VAL 77 9.162 -0.755 2.506 536 1HG2 VAL 77 HG21 VAL 77 8.893 -2.383 5.409 537 2HG2 VAL 77 HG22 VAL 77 7.328 -2.498 4.607 538 3HG2 VAL 77 HG23 VAL 77 8.310 -1.047 4.417 539 H THR 78 HN THR 78 9.195 -5.693 2.546 540 HA THR 78 HA THR 78 10.777 -5.580 0.231 541 HB THR 78 HB THR 78 9.772 -8.061 1.643 542 HG1 THR 78 HG1 THR 78 11.206 -7.686 3.145 543 1HG2 THR 78 HG21 THR 78 11.247 -9.283 0.512 544 2HG2 THR 78 HG22 THR 78 12.496 -8.041 0.611 545 3HG2 THR 78 HG23 THR 78 11.259 -7.953 -0.643 546 H ILE 79 HN ILE 79 7.587 -7.034 0.817 547 HA ILE 79 HA ILE 79 7.237 -8.263 -1.675 548 HB ILE 79 HB ILE 79 5.072 -7.023 0.037 549 1HG1 ILE 79 HG12 ILE 79 6.089 -9.874 0.055 550 2HG1 ILE 79 HG11 ILE 79 6.543 -8.659 1.243 551 1HG2 ILE 79 HG21 ILE 79 4.410 -7.602 -2.284 552 2HG2 ILE 79 HG22 ILE 79 3.557 -8.538 -1.057 553 3HG2 ILE 79 HG23 ILE 79 4.880 -9.271 -1.964 554 1HD1 ILE 79 HD11 ILE 79 4.424 -8.608 2.183 555 2HD1 ILE 79 HD12 ILE 79 4.684 -10.316 1.831 556 3HD1 ILE 79 HD13 ILE 79 3.672 -9.341 0.767 557 H LEU 80 HN LEU 80 6.502 -4.959 -0.602 558 HA LEU 80 HA LEU 80 5.194 -4.049 -2.893 559 1HB LEU 80 HB2 LEU 80 6.411 -2.875 -0.545 560 2HB LEU 80 HB1 LEU 80 6.708 -1.886 -1.962 561 HG LEU 80 HG LEU 80 4.080 -2.292 -2.292 562 1HD1 LEU 80 HD11 LEU 80 4.644 -2.759 0.599 563 2HD1 LEU 80 HD12 LEU 80 3.467 -3.535 -0.462 564 3HD1 LEU 80 HD13 LEU 80 3.177 -1.899 0.129 565 1HD2 LEU 80 HD21 LEU 80 4.960 -0.116 -2.315 566 2HD2 LEU 80 HD22 LEU 80 5.513 -0.230 -0.644 567 3HD2 LEU 80 HD23 LEU 80 3.788 -0.121 -0.997 568 H SER 81 HN SER 81 8.656 -4.220 -2.147 569 HA SER 81 HA SER 81 9.580 -2.840 -4.424 570 1HB SER 81 HB2 SER 81 10.918 -3.486 -2.342 571 2HB SER 81 HB1 SER 81 11.082 -5.084 -3.072 572 HG SER 81 HG SER 81 12.779 -3.402 -3.492 573 H GLN 82 HN GLN 82 8.710 -6.216 -3.888 574 HA GLN 82 HA GLN 82 9.731 -7.253 -6.314 575 1HB GLN 82 HB2 GLN 82 7.385 -8.296 -4.712 576 2HB GLN 82 HB1 GLN 82 8.322 -9.193 -5.898 577 1HG GLN 82 HG2 GLN 82 9.371 -8.117 -3.289 578 2HG GLN 82 HG1 GLN 82 8.915 -9.789 -3.605 579 1HE2 GLN 82 HE21 GLN 82 11.512 -8.243 -2.985 580 2HE2 GLN 82 HE22 GLN 82 12.635 -8.894 -4.125 581 H GLN 83 HN GLN 83 6.860 -5.438 -5.572 582 HA GLN 83 HA GLN 83 5.272 -6.220 -7.773 583 1HB GLN 83 HB2 GLN 83 5.200 -3.507 -6.448 584 2HB GLN 83 HB1 GLN 83 3.892 -4.334 -7.279 585 1HG GLN 83 HG2 GLN 83 5.116 -5.087 -4.636 586 2HG GLN 83 HG1 GLN 83 3.514 -4.411 -4.912 587 1HE2 GLN 83 HE21 GLN 83 5.408 -7.241 -4.764 588 2HE2 GLN 83 HE22 GLN 83 4.170 -8.370 -5.185 589 H ARG 84 HN ARG 84 6.494 -6.258 -9.639 590 HA ARG 84 HA ARG 84 7.635 -3.720 -10.573 591 1HB ARG 84 HB2 ARG 84 8.320 -6.549 -10.942 592 2HB ARG 84 HB1 ARG 84 8.355 -5.615 -12.431 593 1HG ARG 84 HG2 ARG 84 9.686 -3.990 -10.660 594 2HG ARG 84 HG1 ARG 84 10.189 -5.610 -10.174 595 1HD ARG 84 HD2 ARG 84 11.259 -6.022 -12.149 596 2HD ARG 84 HD1 ARG 84 10.177 -4.983 -13.075 597 HE ARG 84 HE ARG 84 11.893 -3.562 -11.249 598 1HH1 ARG 84 HH11 ARG 84 11.626 -4.901 -14.476 599 2HH1 ARG 84 HH12 ARG 84 12.800 -3.824 -15.152 600 1HH2 ARG 84 HH21 ARG 84 13.439 -2.149 -12.146 601 2HH2 ARG 84 HH22 ARG 84 13.828 -2.258 -13.829 602 H GLY 85 HN GLY 85 7.165 -2.914 -12.647 603 1HA GLY 85 HA2 GLY 85 5.840 -2.425 -14.456 604 2HA GLY 85 HA1 GLY 85 5.384 -4.122 -14.473 605 H GLU 86 HN GLU 86 3.443 -4.750 -13.647 606 HA GLU 86 HA GLU 86 1.573 -2.605 -13.006 607 1HB GLU 86 HB2 GLU 86 1.005 -4.324 -14.732 608 2HB GLU 86 HB1 GLU 86 1.011 -5.542 -13.464 609 1HG GLU 86 HG2 GLU 86 -0.800 -4.320 -12.322 610 2HG GLU 86 HG1 GLU 86 -0.832 -3.169 -13.655 611 H ILE 87 HN ILE 87 0.568 -2.370 -11.068 612 HA ILE 87 HA ILE 87 1.045 -4.389 -8.991 613 HB ILE 87 HB ILE 87 1.341 -1.449 -8.407 614 1HG1 ILE 87 HG12 ILE 87 3.560 -3.445 -8.923 615 2HG1 ILE 87 HG11 ILE 87 3.113 -2.119 -9.991 616 1HG2 ILE 87 HG21 ILE 87 1.935 -3.973 -6.884 617 2HG2 ILE 87 HG22 ILE 87 0.805 -2.684 -6.466 618 3HG2 ILE 87 HG23 ILE 87 2.543 -2.389 -6.398 619 1HD1 ILE 87 HD11 ILE 87 5.056 -1.514 -8.727 620 2HD1 ILE 87 HD12 ILE 87 4.235 -1.888 -7.212 621 3HD1 ILE 87 HD13 ILE 87 3.691 -0.531 -8.197 622 H GLU 88 HN GLU 88 -0.786 -4.914 -7.990 623 HA GLU 88 HA GLU 88 -3.086 -3.104 -8.219 624 1HB GLU 88 HB2 GLU 88 -2.745 -6.022 -8.158 625 2HB GLU 88 HB1 GLU 88 -4.064 -5.438 -7.153 626 1HG GLU 88 HG2 GLU 88 -5.153 -4.438 -9.001 627 2HG GLU 88 HG1 GLU 88 -3.744 -4.659 -10.037 628 H PHE 89 HN PHE 89 -3.908 -2.095 -6.482 629 HA PHE 89 HA PHE 89 -2.943 -2.944 -3.827 630 1HB PHE 89 HB2 PHE 89 -2.800 -0.384 -5.143 631 2HB PHE 89 HB1 PHE 89 -3.772 -0.248 -3.682 632 HD1 PHE 89 HD1 PHE 89 -0.449 -0.953 -5.033 633 HD2 PHE 89 HD2 PHE 89 -2.796 -0.582 -1.502 634 HE1 PHE 89 HE1 PHE 89 1.604 -0.849 -3.683 635 HE2 PHE 89 HE2 PHE 89 -0.748 -0.477 -0.146 636 HZ PHE 89 HZ PHE 89 1.457 -0.610 -1.236 637 H GLU 90 HN GLU 90 -4.439 -3.471 -2.369 638 HA GLU 90 HA GLU 90 -7.236 -2.688 -2.884 639 1HB GLU 90 HB2 GLU 90 -6.356 -5.228 -3.002 640 2HB GLU 90 HB1 GLU 90 -6.684 -5.129 -1.278 641 1HG GLU 90 HG2 GLU 90 -8.912 -5.085 -1.566 642 2HG GLU 90 HG1 GLU 90 -8.814 -4.101 -3.023 643 H VAL 91 HN VAL 91 -7.930 -1.282 -1.426 644 HA VAL 91 HA VAL 91 -7.153 -1.627 1.385 645 HB VAL 91 HB VAL 91 -6.949 0.893 1.550 646 1HG1 VAL 91 HG11 VAL 91 -4.875 0.067 1.781 647 2HG1 VAL 91 HG12 VAL 91 -4.633 0.697 0.153 648 3HG1 VAL 91 HG13 VAL 91 -5.030 -1.004 0.390 649 1HG2 VAL 91 HG21 VAL 91 -7.070 2.233 -0.242 650 2HG2 VAL 91 HG22 VAL 91 -7.882 0.876 -1.021 651 3HG2 VAL 91 HG23 VAL 91 -6.152 1.119 -1.255 652 H VAL 92 HN VAL 92 -8.462 -0.068 2.817 653 HA VAL 92 HA VAL 92 -11.182 0.369 1.789 654 HB VAL 92 HB VAL 92 -10.640 -0.926 4.470 655 1HG1 VAL 92 HG11 VAL 92 -13.212 -0.580 2.932 656 2HG1 VAL 92 HG12 VAL 92 -12.715 0.388 4.319 657 3HG1 VAL 92 HG13 VAL 92 -13.031 -1.335 4.514 658 1HG2 VAL 92 HG21 VAL 92 -11.346 -3.020 3.554 659 2HG2 VAL 92 HG22 VAL 92 -10.034 -2.403 2.552 660 3HG2 VAL 92 HG23 VAL 92 -11.701 -2.279 1.995 661 H TYR 93 HN TYR 93 -12.045 2.274 2.423 662 HA TYR 93 HA TYR 93 -10.468 4.158 3.865 663 1HB TYR 93 HB2 TYR 93 -12.574 4.323 2.100 664 2HB TYR 93 HB1 TYR 93 -13.331 4.782 3.616 665 HD1 TYR 93 HD1 TYR 93 -12.607 6.371 0.959 666 HD2 TYR 93 HD2 TYR 93 -10.951 6.198 4.877 667 HE1 TYR 93 HE1 TYR 93 -11.738 8.653 0.687 668 HE2 TYR 93 HE2 TYR 93 -10.077 8.481 4.612 669 HH TYR 93 HH TYR 93 -11.090 10.613 2.542 670 H VAL 94 HN VAL 94 -10.384 4.562 6.000 671 HA VAL 94 HA VAL 94 -12.452 3.356 7.726 672 HB VAL 94 HB VAL 94 -9.616 4.012 8.536 673 1HG1 VAL 94 HG11 VAL 94 -11.746 3.642 10.143 674 2HG1 VAL 94 HG12 VAL 94 -10.098 3.197 10.583 675 3HG1 VAL 94 HG13 VAL 94 -11.203 1.974 9.958 676 1HG2 VAL 94 HG21 VAL 94 -10.764 1.353 7.686 677 2HG2 VAL 94 HG22 VAL 94 -9.162 1.605 8.380 678 3HG2 VAL 94 HG23 VAL 94 -9.563 2.301 6.809 679 H ALA 95 HN ALA 95 -13.511 4.615 9.170 680 HA ALA 95 HA ALA 95 -12.485 7.181 9.992 681 1HB ALA 95 HB1 ALA 95 -13.392 8.214 8.191 682 2HB ALA 95 HB2 ALA 95 -14.843 8.154 9.192 683 3HB ALA 95 HB3 ALA 95 -14.592 6.949 7.929 Start of MODEL 16 1 HT1 PRO 9 HT2 PRO 9 -16.301 -3.390 3.285 2 HT2 PRO 9 HT1 PRO 9 -15.193 -2.194 3.508 3 HA PRO 9 HA PRO 9 -16.622 -2.970 1.271 4 1HB PRO 9 HB2 PRO 9 -16.301 -0.185 0.875 5 2HB PRO 9 HB1 PRO 9 -17.814 -1.100 0.908 6 1HG PRO 9 HG2 PRO 9 -16.482 0.436 3.074 7 2HG PRO 9 HG1 PRO 9 -18.210 0.163 2.783 8 1HD PRO 9 HD2 PRO 9 -16.943 -1.112 4.756 9 2HD PRO 9 HD1 PRO 9 -18.172 -1.945 3.784 10 H ILE 10 HN ILE 10 -14.844 -3.817 0.357 11 HA ILE 10 HA ILE 10 -12.256 -2.526 0.636 12 HB ILE 10 HB ILE 10 -12.998 -5.056 -0.848 13 1HG1 ILE 10 HG12 ILE 10 -11.501 -4.935 1.751 14 2HG1 ILE 10 HG11 ILE 10 -13.260 -4.895 1.744 15 1HG2 ILE 10 HG21 ILE 10 -10.448 -3.597 -0.461 16 2HG2 ILE 10 HG22 ILE 10 -10.993 -4.593 -1.810 17 3HG2 ILE 10 HG23 ILE 10 -10.398 -5.355 -0.336 18 1HD1 ILE 10 HD11 ILE 10 -13.144 -7.113 1.802 19 2HD1 ILE 10 HD12 ILE 10 -11.442 -7.122 1.340 20 3HD1 ILE 10 HD13 ILE 10 -12.692 -7.017 0.101 21 H ARG 11 HN ARG 11 -11.066 -1.606 -0.991 22 HA ARG 11 HA ARG 11 -12.439 -1.225 -3.574 23 1HB ARG 11 HB2 ARG 11 -12.280 0.793 -1.966 24 2HB ARG 11 HB1 ARG 11 -10.573 0.817 -2.389 25 1HG ARG 11 HG2 ARG 11 -11.035 1.966 -4.220 26 2HG ARG 11 HG1 ARG 11 -12.065 0.655 -4.798 27 1HD ARG 11 HD2 ARG 11 -13.000 2.760 -2.858 28 2HD ARG 11 HD1 ARG 11 -13.163 2.916 -4.607 29 HE ARG 11 HE ARG 11 -14.258 0.460 -3.662 30 1HH1 ARG 11 HH11 ARG 11 -14.928 3.885 -3.943 31 2HH1 ARG 11 HH12 ARG 11 -16.645 3.674 -3.952 32 1HH2 ARG 11 HH21 ARG 11 -16.527 0.191 -3.669 33 2HH2 ARG 11 HH22 ARG 11 -17.552 1.580 -3.797 34 H LYS 12 HN LYS 12 -11.329 -1.776 -5.340 35 HA LYS 12 HA LYS 12 -8.517 -2.554 -5.028 36 1HB LYS 12 HB2 LYS 12 -10.743 -3.410 -6.814 37 2HB LYS 12 HB1 LYS 12 -9.111 -3.487 -7.463 38 1HG LYS 12 HG2 LYS 12 -9.559 -5.615 -6.579 39 2HG LYS 12 HG1 LYS 12 -8.491 -4.829 -5.415 40 1HD LYS 12 HD2 LYS 12 -10.018 -5.501 -3.905 41 2HD LYS 12 HD1 LYS 12 -10.933 -4.101 -4.466 42 1HE LYS 12 HE2 LYS 12 -12.558 -5.632 -4.786 43 2HE LYS 12 HE1 LYS 12 -11.695 -5.922 -6.296 44 1HZ LYS 12 HZ1 LYS 12 -11.055 -7.425 -3.829 45 2HZ LYS 12 HZ2 LYS 12 -10.680 -7.822 -5.429 46 3HZ LYS 12 HZ3 LYS 12 -12.277 -7.930 -4.886 47 H VAL 13 HN VAL 13 -7.008 -1.170 -5.703 48 HA VAL 13 HA VAL 13 -7.610 0.553 -8.019 49 HB VAL 13 HB VAL 13 -5.933 1.411 -5.657 50 1HG1 VAL 13 HG11 VAL 13 -6.665 3.685 -6.849 51 2HG1 VAL 13 HG12 VAL 13 -6.683 2.621 -8.254 52 3HG1 VAL 13 HG13 VAL 13 -5.210 2.797 -7.301 53 1HG2 VAL 13 HG21 VAL 13 -8.194 1.181 -4.876 54 2HG2 VAL 13 HG22 VAL 13 -8.815 2.033 -6.289 55 3HG2 VAL 13 HG23 VAL 13 -7.847 2.896 -5.095 56 H LEU 14 HN LEU 14 -6.002 0.841 -9.510 57 HA LEU 14 HA LEU 14 -3.637 -0.874 -9.205 58 1HB LEU 14 HB2 LEU 14 -4.534 0.404 -11.774 59 2HB LEU 14 HB1 LEU 14 -3.517 -1.006 -11.554 60 HG LEU 14 HG LEU 14 -6.386 -1.080 -10.686 61 1HD1 LEU 14 HD11 LEU 14 -6.788 -0.433 -12.860 62 2HD1 LEU 14 HD12 LEU 14 -6.701 -2.187 -13.020 63 3HD1 LEU 14 HD13 LEU 14 -5.318 -1.191 -13.472 64 1HD2 LEU 14 HD21 LEU 14 -6.113 -3.466 -11.175 65 2HD2 LEU 14 HD22 LEU 14 -4.931 -2.899 -9.996 66 3HD2 LEU 14 HD23 LEU 14 -4.446 -3.169 -11.669 67 H LEU 15 HN LEU 15 -1.657 -0.012 -8.999 68 HA LEU 15 HA LEU 15 -1.343 2.874 -9.513 69 1HB LEU 15 HB2 LEU 15 -1.101 1.975 -7.129 70 2HB LEU 15 HB1 LEU 15 0.391 1.236 -7.680 71 HG LEU 15 HG LEU 15 1.167 3.544 -8.359 72 1HD1 LEU 15 HD11 LEU 15 -0.917 4.707 -8.487 73 2HD1 LEU 15 HD12 LEU 15 0.033 5.427 -7.187 74 3HD1 LEU 15 HD13 LEU 15 -1.293 4.328 -6.806 75 1HD2 LEU 15 HD21 LEU 15 2.038 4.000 -6.253 76 2HD2 LEU 15 HD22 LEU 15 1.688 2.273 -6.179 77 3HD2 LEU 15 HD23 LEU 15 0.592 3.428 -5.420 78 H LEU 16 HN LEU 16 0.274 3.586 -10.804 79 HA LEU 16 HA LEU 16 1.944 1.535 -12.095 80 1HB LEU 16 HB2 LEU 16 0.405 3.768 -13.106 81 2HB LEU 16 HB1 LEU 16 2.084 3.900 -13.594 82 HG LEU 16 HG LEU 16 0.737 2.755 -15.286 83 1HD1 LEU 16 HD11 LEU 16 2.113 0.479 -15.099 84 2HD1 LEU 16 HD12 LEU 16 2.995 1.433 -13.906 85 3HD1 LEU 16 HD13 LEU 16 2.856 2.008 -15.567 86 1HD2 LEU 16 HD21 LEU 16 -0.529 0.880 -14.918 87 2HD2 LEU 16 HD22 LEU 16 -0.744 1.716 -13.381 88 3HD2 LEU 16 HD23 LEU 16 0.408 0.387 -13.508 89 H LYS 17 HN LYS 17 3.981 1.491 -11.442 90 HA LYS 17 HA LYS 17 5.318 4.036 -10.818 91 1HB LYS 17 HB2 LYS 17 6.589 2.872 -9.033 92 2HB LYS 17 HB1 LYS 17 4.865 2.965 -8.701 93 1HG LYS 17 HG2 LYS 17 5.143 0.800 -8.163 94 2HG LYS 17 HG1 LYS 17 4.960 0.566 -9.901 95 1HD LYS 17 HD2 LYS 17 6.920 -0.515 -9.775 96 2HD LYS 17 HD1 LYS 17 7.636 1.094 -9.672 97 1HE LYS 17 HE2 LYS 17 8.274 0.777 -7.558 98 2HE LYS 17 HE1 LYS 17 6.688 0.161 -7.095 99 1HZ LYS 17 HZ1 LYS 17 7.366 -2.000 -8.096 100 2HZ LYS 17 HZ2 LYS 17 8.277 -1.552 -6.743 101 3HZ LYS 17 HZ3 LYS 17 8.927 -1.375 -8.294 102 H GLU 18 HN GLU 18 7.596 4.078 -11.162 103 HA GLU 18 HA GLU 18 8.499 2.084 -13.135 104 1HB GLU 18 HB2 GLU 18 8.325 4.843 -13.377 105 2HB GLU 18 HB1 GLU 18 10.029 4.562 -13.053 106 1HG GLU 18 HG2 GLU 18 10.101 4.354 -15.293 107 2HG GLU 18 HG1 GLU 18 9.665 2.692 -14.908 108 H ASP 19 HN ASP 19 10.888 1.750 -13.204 109 HA ASP 19 HA ASP 19 11.871 0.856 -10.745 110 1HB ASP 19 HB2 ASP 19 12.614 0.423 -13.286 111 2HB ASP 19 HB1 ASP 19 13.849 1.596 -12.843 112 H HIS 20 HN HIS 20 12.395 3.893 -12.460 113 HA HIS 20 HA HIS 20 14.322 4.867 -10.556 114 1HB HIS 20 HB2 HIS 20 14.216 6.959 -11.839 115 2HB HIS 20 HB1 HIS 20 14.436 5.573 -12.898 116 HD1 HIS 20 HD1 HIS 20 12.049 8.302 -12.074 117 HD2 HIS 20 HD2 HIS 20 12.233 4.987 -14.570 118 HE1 HIS 20 HE1 HIS 20 10.145 8.574 -13.693 119 HE2 HIS 20 HE2 HIS 20 10.185 6.477 -15.089 120 H GLU 21 HN GLU 21 10.855 5.036 -10.956 121 HA GLU 21 HA GLU 21 10.518 7.217 -9.093 122 1HB GLU 21 HB2 GLU 21 8.823 5.674 -10.913 123 2HB GLU 21 HB1 GLU 21 8.036 6.053 -9.386 124 1HG GLU 21 HG2 GLU 21 9.452 8.299 -10.626 125 2HG GLU 21 HG1 GLU 21 8.088 7.676 -11.553 126 H GLY 22 HN GLY 22 9.143 6.994 -7.149 127 1HA GLY 22 HA2 GLY 22 9.896 4.558 -5.685 128 2HA GLY 22 HA1 GLY 22 9.456 6.098 -4.961 129 H LEU 23 HN LEU 23 7.897 5.275 -3.599 130 HA LEU 23 HA LEU 23 5.709 3.697 -4.676 131 1HB LEU 23 HB2 LEU 23 6.920 3.641 -2.277 132 2HB LEU 23 HB1 LEU 23 5.601 4.731 -1.899 133 HG LEU 23 HG LEU 23 4.099 2.883 -2.954 134 1HD1 LEU 23 HD11 LEU 23 5.694 1.429 -3.890 135 2HD1 LEU 23 HD12 LEU 23 5.096 0.607 -2.449 136 3HD1 LEU 23 HD13 LEU 23 6.664 1.414 -2.417 137 1HD2 LEU 23 HD21 LEU 23 4.171 3.591 -0.571 138 2HD2 LEU 23 HD22 LEU 23 5.417 2.376 -0.292 139 3HD2 LEU 23 HD23 LEU 23 3.801 1.882 -0.797 140 H GLY 24 HN GLY 24 6.043 6.824 -2.968 141 1HA GLY 24 HA2 GLY 24 4.911 8.794 -3.747 142 2HA GLY 24 HA1 GLY 24 3.659 7.766 -4.421 143 H ILE 25 HN ILE 25 4.023 6.304 -1.608 144 HA ILE 25 HA ILE 25 2.543 8.230 0.025 145 HB ILE 25 HB ILE 25 0.887 6.528 0.681 146 1HG1 ILE 25 HG12 ILE 25 2.364 4.573 -0.027 147 2HG1 ILE 25 HG11 ILE 25 0.653 4.441 -0.412 148 1HG2 ILE 25 HG21 ILE 25 0.868 6.978 -2.295 149 2HG2 ILE 25 HG22 ILE 25 0.434 8.199 -1.099 150 3HG2 ILE 25 HG23 ILE 25 -0.522 6.724 -1.240 151 1HD1 ILE 25 HD11 ILE 25 1.228 3.997 -2.497 152 2HD1 ILE 25 HD12 ILE 25 2.922 4.340 -2.151 153 3HD1 ILE 25 HD13 ILE 25 1.842 5.644 -2.641 154 H SER 26 HN SER 26 2.578 7.796 2.274 155 HA SER 26 HA SER 26 4.761 5.991 3.078 156 1HB SER 26 HB2 SER 26 4.183 8.723 3.708 157 2HB SER 26 HB1 SER 26 4.091 7.773 5.191 158 HG SER 26 HG SER 26 6.255 8.618 3.994 159 H ILE 27 HN ILE 27 4.432 4.432 4.579 160 HA ILE 27 HA ILE 27 1.708 4.192 5.684 161 HB ILE 27 HB ILE 27 2.176 1.719 5.791 162 1HG1 ILE 27 HG12 ILE 27 4.343 2.279 3.770 163 2HG1 ILE 27 HG11 ILE 27 4.703 2.095 5.484 164 1HG2 ILE 27 HG21 ILE 27 1.966 3.177 3.176 165 2HG2 ILE 27 HG22 ILE 27 0.686 2.425 4.128 166 3HG2 ILE 27 HG23 ILE 27 1.860 1.420 3.278 167 1HD1 ILE 27 HD11 ILE 27 3.356 0.029 3.763 168 2HD1 ILE 27 HD12 ILE 27 3.810 -0.152 5.457 169 3HD1 ILE 27 HD13 ILE 27 5.058 0.030 4.223 170 H THR 28 HN THR 28 1.470 3.283 7.785 171 HA THR 28 HA THR 28 3.875 3.068 9.424 172 HB THR 28 HB THR 28 3.226 5.416 9.613 173 HG1 THR 28 HG1 THR 28 2.452 4.120 12.004 174 1HG2 THR 28 HG21 THR 28 1.173 6.194 10.425 175 2HG2 THR 28 HG22 THR 28 0.634 4.571 10.858 176 3HG2 THR 28 HG23 THR 28 0.768 5.031 9.161 177 H GLY 29 HN GLY 29 3.654 1.781 11.250 178 1HA GLY 29 HA2 GLY 29 2.045 0.754 12.865 179 2HA GLY 29 HA1 GLY 29 1.091 0.315 11.455 180 H GLY 30 HN GLY 30 1.368 -1.851 12.599 181 1HA GLY 30 HA2 GLY 30 3.156 -3.455 11.115 182 2HA GLY 30 HA1 GLY 30 3.829 -3.183 12.712 183 H LYS 31 HN LYS 31 2.153 -5.348 10.964 184 HA LYS 31 HA LYS 31 -0.015 -6.134 12.537 185 1HB LYS 31 HB2 LYS 31 1.120 -7.041 10.218 186 2HB LYS 31 HB1 LYS 31 1.494 -8.350 11.329 187 1HG LYS 31 HG2 LYS 31 -1.238 -7.265 10.678 188 2HG LYS 31 HG1 LYS 31 -0.566 -8.823 10.195 189 1HD LYS 31 HD2 LYS 31 -0.466 -9.520 12.532 190 2HD LYS 31 HD1 LYS 31 -1.093 -7.951 13.037 191 1HE LYS 31 HE2 LYS 31 -3.099 -8.943 12.965 192 2HE LYS 31 HE1 LYS 31 -2.967 -8.735 11.220 193 1HZ LYS 31 HZ1 LYS 31 -3.477 -10.964 11.462 194 2HZ LYS 31 HZ2 LYS 31 -2.500 -11.165 12.827 195 3HZ LYS 31 HZ3 LYS 31 -1.794 -11.002 11.299 196 H GLU 32 HN GLU 32 3.422 -6.697 12.990 197 HA GLU 32 HA GLU 32 3.332 -8.844 14.774 198 1HB GLU 32 HB2 GLU 32 5.514 -7.975 15.630 199 2HB GLU 32 HB1 GLU 32 5.444 -8.147 13.882 200 1HG GLU 32 HG2 GLU 32 4.620 -5.531 14.380 201 2HG GLU 32 HG1 GLU 32 5.962 -5.808 15.487 202 H HIS 33 HN HIS 33 2.658 -5.447 15.273 203 HA HIS 33 HA HIS 33 2.648 -5.620 18.149 204 1HB HIS 33 HB2 HIS 33 1.658 -3.472 16.263 205 2HB HIS 33 HB1 HIS 33 1.682 -3.321 18.017 206 HD1 HIS 33 HD1 HIS 33 4.066 -3.221 19.150 207 HD2 HIS 33 HD2 HIS 33 4.061 -2.987 15.000 208 HE1 HIS 33 HE1 HIS 33 6.341 -2.352 18.523 209 HE2 HIS 33 HE2 HIS 33 6.315 -2.214 16.006 210 H GLY 34 HN GLY 34 0.288 -5.854 15.554 211 1HA GLY 34 HA2 GLY 34 -1.614 -7.377 16.338 212 2HA GLY 34 HA1 GLY 34 -1.859 -6.134 17.556 213 H VAL 35 HN VAL 35 -1.194 -3.964 15.648 214 HA VAL 35 HA VAL 35 -3.787 -3.897 14.276 215 HB VAL 35 HB VAL 35 -3.330 -1.424 14.065 216 1HG1 VAL 35 HG11 VAL 35 -4.851 -1.704 15.710 217 2HG1 VAL 35 HG12 VAL 35 -3.510 -1.200 16.739 218 3HG1 VAL 35 HG13 VAL 35 -3.881 -2.914 16.551 219 1HG2 VAL 35 HG21 VAL 35 -0.779 -1.997 14.685 220 2HG2 VAL 35 HG22 VAL 35 -1.383 -1.565 16.284 221 3HG2 VAL 35 HG23 VAL 35 -1.508 -0.414 14.954 222 HA PRO 36 HA PRO 36 -1.800 -4.454 10.340 223 1HB PRO 36 HB2 PRO 36 -4.148 -2.994 9.277 224 2HB PRO 36 HB1 PRO 36 -3.561 -4.614 8.890 225 1HG PRO 36 HG2 PRO 36 -5.763 -4.264 10.359 226 2HG PRO 36 HG1 PRO 36 -4.625 -5.579 10.706 227 1HD PRO 36 HD2 PRO 36 -4.973 -2.953 12.102 228 2HD PRO 36 HD1 PRO 36 -4.675 -4.565 12.788 229 H ILE 37 HN ILE 37 -0.843 -3.213 8.644 230 HA ILE 37 HA ILE 37 -0.146 -0.529 9.469 231 HB ILE 37 HB ILE 37 0.758 -1.975 6.972 232 1HG1 ILE 37 HG12 ILE 37 2.876 -2.163 8.641 233 2HG1 ILE 37 HG11 ILE 37 1.567 -2.270 9.812 234 1HG2 ILE 37 HG21 ILE 37 2.589 -0.433 6.959 235 2HG2 ILE 37 HG22 ILE 37 2.097 0.244 8.510 236 3HG2 ILE 37 HG23 ILE 37 1.094 0.493 7.081 237 1HD1 ILE 37 HD11 ILE 37 1.051 -3.982 7.562 238 2HD1 ILE 37 HD12 ILE 37 1.186 -4.381 9.274 239 3HD1 ILE 37 HD13 ILE 37 2.632 -4.323 8.266 240 H LEU 38 HN LEU 38 -0.724 1.365 8.490 241 HA LEU 38 HA LEU 38 -2.369 1.237 6.062 242 1HB LEU 38 HB2 LEU 38 -3.895 2.956 7.063 243 2HB LEU 38 HB1 LEU 38 -4.009 1.355 7.767 244 HG LEU 38 HG LEU 38 -2.192 3.266 9.123 245 1HD1 LEU 38 HD11 LEU 38 -4.188 4.626 8.519 246 2HD1 LEU 38 HD12 LEU 38 -3.953 4.424 10.254 247 3HD1 LEU 38 HD13 LEU 38 -5.182 3.478 9.416 248 1HD2 LEU 38 HD21 LEU 38 -3.380 2.193 11.103 249 2HD2 LEU 38 HD22 LEU 38 -2.365 1.142 10.116 250 3HD2 LEU 38 HD23 LEU 38 -4.118 1.105 9.929 251 H ILE 39 HN ILE 39 -2.654 3.392 5.020 252 HA ILE 39 HA ILE 39 -0.114 4.795 4.996 253 HB ILE 39 HB ILE 39 -2.538 5.406 3.302 254 1HG1 ILE 39 HG12 ILE 39 -0.252 3.527 2.659 255 2HG1 ILE 39 HG11 ILE 39 -1.883 3.017 3.081 256 1HG2 ILE 39 HG21 ILE 39 -0.578 7.037 3.493 257 2HG2 ILE 39 HG22 ILE 39 -1.086 6.559 1.874 258 3HG2 ILE 39 HG23 ILE 39 0.348 5.833 2.596 259 1HD1 ILE 39 HD11 ILE 39 -1.475 2.940 0.674 260 2HD1 ILE 39 HD12 ILE 39 -1.146 4.673 0.679 261 3HD1 ILE 39 HD13 ILE 39 -2.756 4.080 1.088 262 H SER 40 HN SER 40 0.281 6.547 6.170 263 HA SER 40 HA SER 40 -1.994 8.157 7.118 264 1HB SER 40 HB2 SER 40 -0.325 6.990 8.743 265 2HB SER 40 HB1 SER 40 0.757 8.314 8.311 266 HG SER 40 HG SER 40 -1.877 8.627 9.334 267 H GLU 41 HN GLU 41 1.124 8.327 5.469 268 HA GLU 41 HA GLU 41 0.619 11.188 4.969 269 1HB GLU 41 HB2 GLU 41 2.886 9.999 6.088 270 2HB GLU 41 HB1 GLU 41 3.347 10.355 4.430 271 1HG GLU 41 HG2 GLU 41 3.928 12.323 5.370 272 2HG GLU 41 HG1 GLU 41 2.238 12.693 5.029 273 H ILE 42 HN ILE 42 0.845 11.982 2.883 274 HA ILE 42 HA ILE 42 1.240 9.978 0.755 275 HB ILE 42 HB ILE 42 -0.718 12.277 0.616 276 1HG1 ILE 42 HG12 ILE 42 -1.405 10.533 2.267 277 2HG1 ILE 42 HG11 ILE 42 -2.502 10.677 0.900 278 1HG2 ILE 42 HG21 ILE 42 0.245 10.249 -1.295 279 2HG2 ILE 42 HG22 ILE 42 -0.371 11.878 -1.576 280 3HG2 ILE 42 HG23 ILE 42 -1.494 10.547 -1.291 281 1HD1 ILE 42 HD11 ILE 42 -1.315 8.714 -0.122 282 2HD1 ILE 42 HD12 ILE 42 -2.237 8.374 1.342 283 3HD1 ILE 42 HD13 ILE 42 -0.482 8.518 1.420 284 H HIS 43 HN HIS 43 2.898 10.482 -0.541 285 HA HIS 43 HA HIS 43 4.174 13.044 -0.378 286 1HB HIS 43 HB2 HIS 43 4.744 10.444 -1.663 287 2HB HIS 43 HB1 HIS 43 5.400 11.854 -2.489 288 HD1 HIS 43 HD1 HIS 43 7.334 13.092 -1.365 289 HD2 HIS 43 HD2 HIS 43 5.856 9.927 0.887 290 HE1 HIS 43 HE1 HIS 43 9.007 12.740 0.479 291 HE2 HIS 43 HE2 HIS 43 8.140 10.758 1.772 292 HA PRO 44 HA PRO 44 1.652 14.877 -3.594 293 1HB PRO 44 HB2 PRO 44 2.898 17.287 -3.637 294 2HB PRO 44 HB1 PRO 44 1.752 16.823 -2.374 295 1HG PRO 44 HG2 PRO 44 4.745 16.797 -2.320 296 2HG PRO 44 HG1 PRO 44 3.606 17.329 -1.068 297 1HD PRO 44 HD2 PRO 44 4.832 14.911 -1.006 298 2HD PRO 44 HD1 PRO 44 3.211 15.182 -0.338 299 H GLY 45 HN GLY 45 1.892 15.542 -5.772 300 1HA GLY 45 HA2 GLY 45 2.844 15.572 -7.863 301 2HA GLY 45 HA1 GLY 45 4.367 15.938 -7.070 302 H GLN 46 HN GLN 46 2.387 13.057 -6.613 303 HA GLN 46 HA GLN 46 4.399 11.442 -8.014 304 1HB GLN 46 HB2 GLN 46 3.968 11.532 -5.187 305 2HB GLN 46 HB1 GLN 46 3.440 9.962 -5.776 306 1HG GLN 46 HG2 GLN 46 5.565 9.343 -5.633 307 2HG GLN 46 HG1 GLN 46 5.846 10.341 -7.059 308 1HE2 GLN 46 HE21 GLN 46 6.307 12.670 -6.597 309 2HE2 GLN 46 HE22 GLN 46 7.312 13.023 -5.238 310 HA PRO 47 HA PRO 47 1.248 8.882 -9.786 311 1HB PRO 47 HB2 PRO 47 1.840 6.660 -7.881 312 2HB PRO 47 HB1 PRO 47 1.720 6.628 -9.644 313 1HG PRO 47 HG2 PRO 47 4.094 6.564 -8.469 314 2HG PRO 47 HG1 PRO 47 3.841 7.532 -9.933 315 1HD PRO 47 HD2 PRO 47 4.066 8.419 -7.090 316 2HD PRO 47 HD1 PRO 47 4.655 9.208 -8.567 317 H ALA 48 HN ALA 48 1.310 8.913 -6.255 318 HA ALA 48 HA ALA 48 -1.239 7.899 -5.731 319 1HB ALA 48 HB1 ALA 48 0.430 8.256 -3.984 320 2HB ALA 48 HB2 ALA 48 -1.087 9.063 -3.585 321 3HB ALA 48 HB3 ALA 48 0.279 10.001 -4.185 322 H ASP 49 HN ASP 49 -0.200 11.251 -6.325 323 HA ASP 49 HA ASP 49 -2.800 12.380 -6.053 324 1HB ASP 49 HB2 ASP 49 -0.149 13.333 -7.040 325 2HB ASP 49 HB1 ASP 49 -1.578 14.254 -7.498 326 H ARG 50 HN ARG 50 -0.867 11.306 -8.826 327 HA ARG 50 HA ARG 50 -2.572 12.177 -10.869 328 1HB ARG 50 HB2 ARG 50 -0.632 9.875 -10.724 329 2HB ARG 50 HB1 ARG 50 -1.512 10.278 -12.192 330 1HG ARG 50 HG2 ARG 50 -0.447 12.693 -11.498 331 2HG ARG 50 HG1 ARG 50 0.809 11.570 -10.973 332 1HD ARG 50 HD2 ARG 50 -0.398 11.785 -13.728 333 2HD ARG 50 HD1 ARG 50 1.233 12.250 -13.250 334 HE ARG 50 HE ARG 50 1.137 9.627 -12.605 335 1HH1 ARG 50 HH11 ARG 50 0.404 11.386 -15.541 336 2HH1 ARG 50 HH12 ARG 50 0.806 10.062 -16.582 337 1HH2 ARG 50 HH21 ARG 50 1.666 7.881 -13.989 338 2HH2 ARG 50 HH22 ARG 50 1.520 8.077 -15.704 339 H CYS 51 HN CYS 51 -2.708 9.300 -8.829 340 HA CYS 51 HA CYS 51 -4.801 8.083 -10.410 341 1HB CYS 51 HB2 CYS 51 -2.962 6.926 -8.942 342 2HB CYS 51 HB1 CYS 51 -4.105 7.201 -7.632 343 HG CYS 51 HG CYS 51 -4.863 5.491 -10.121 344 H GLY 52 HN GLY 52 -4.574 10.137 -7.587 345 1HA GLY 52 HA2 GLY 52 -6.190 11.217 -6.366 346 2HA GLY 52 HA1 GLY 52 -7.304 10.841 -7.668 347 H GLY 53 HN GLY 53 -5.766 8.118 -6.240 348 1HA GLY 53 HA2 GLY 53 -8.252 7.510 -4.764 349 2HA GLY 53 HA1 GLY 53 -7.255 6.305 -5.558 350 H LEU 54 HN LEU 54 -4.741 7.560 -4.556 351 HA LEU 54 HA LEU 54 -4.649 6.146 -2.059 352 1HB LEU 54 HB2 LEU 54 -2.644 7.686 -3.676 353 2HB LEU 54 HB1 LEU 54 -2.262 7.169 -2.045 354 HG LEU 54 HG LEU 54 -3.042 5.326 -4.307 355 1HD1 LEU 54 HD11 LEU 54 -0.349 5.248 -3.094 356 2HD1 LEU 54 HD12 LEU 54 -0.700 6.602 -4.166 357 3HD1 LEU 54 HD13 LEU 54 -0.858 4.948 -4.753 358 1HD2 LEU 54 HD21 LEU 54 -2.214 4.814 -1.457 359 2HD2 LEU 54 HD22 LEU 54 -2.187 3.577 -2.713 360 3HD2 LEU 54 HD23 LEU 54 -3.712 4.335 -2.256 361 H HIS 55 HN HIS 55 -6.366 7.508 -1.106 362 HA HIS 55 HA HIS 55 -5.645 10.182 -0.270 363 1HB HIS 55 HB2 HIS 55 -7.854 10.084 0.939 364 2HB HIS 55 HB1 HIS 55 -7.961 9.830 -0.799 365 HD1 HIS 55 HD1 HIS 55 -7.542 7.531 2.229 366 HD2 HIS 55 HD2 HIS 55 -9.671 7.803 -1.331 367 HE1 HIS 55 HE1 HIS 55 -8.986 5.478 2.149 368 HE2 HIS 55 HE2 HIS 55 -10.219 5.631 -0.040 369 H VAL 56 HN VAL 56 -5.606 10.845 1.984 370 HA VAL 56 HA VAL 56 -3.928 9.209 3.571 371 HB VAL 56 HB VAL 56 -5.564 11.552 4.556 372 1HG1 VAL 56 HG11 VAL 56 -3.172 10.079 5.590 373 2HG1 VAL 56 HG12 VAL 56 -4.652 10.537 6.432 374 3HG1 VAL 56 HG13 VAL 56 -3.451 11.764 6.030 375 1HG2 VAL 56 HG21 VAL 56 -4.417 12.460 2.735 376 2HG2 VAL 56 HG22 VAL 56 -2.982 11.479 3.030 377 3HG2 VAL 56 HG23 VAL 56 -3.375 12.814 4.112 378 H GLY 57 HN GLY 57 -4.363 7.793 5.191 379 1HA GLY 57 HA2 GLY 57 -5.626 6.778 6.891 380 2HA GLY 57 HA1 GLY 57 -7.040 7.663 6.342 381 H ASP 58 HN ASP 58 -4.808 5.494 4.613 382 HA ASP 58 HA ASP 58 -7.134 3.869 3.825 383 1HB ASP 58 HB2 ASP 58 -4.985 5.001 2.299 384 2HB ASP 58 HB1 ASP 58 -4.875 3.246 2.210 385 H ALA 59 HN ALA 59 -7.254 1.858 4.632 386 HA ALA 59 HA ALA 59 -4.957 0.790 6.078 387 1HB ALA 59 HB1 ALA 59 -6.532 -0.860 6.967 388 2HB ALA 59 HB2 ALA 59 -7.796 -0.216 5.920 389 3HB ALA 59 HB3 ALA 59 -7.116 0.788 7.201 390 H ILE 60 HN ILE 60 -3.602 -0.610 5.195 391 HA ILE 60 HA ILE 60 -4.009 -1.717 2.603 392 HB ILE 60 HB ILE 60 -1.909 -2.542 4.612 393 1HG1 ILE 60 HG12 ILE 60 -1.311 -0.582 2.449 394 2HG1 ILE 60 HG11 ILE 60 -2.199 0.009 3.849 395 1HG2 ILE 60 HG21 ILE 60 -1.957 -2.692 1.600 396 2HG2 ILE 60 HG22 ILE 60 -2.156 -4.049 2.709 397 3HG2 ILE 60 HG23 ILE 60 -0.621 -3.184 2.640 398 1HD1 ILE 60 HD11 ILE 60 0.569 -0.342 3.576 399 2HD1 ILE 60 HD12 ILE 60 0.019 -1.557 4.731 400 3HD1 ILE 60 HD13 ILE 60 -0.328 0.149 5.013 401 H LEU 61 HN LEU 61 -4.452 -3.785 1.957 402 HA LEU 61 HA LEU 61 -5.168 -5.730 4.048 403 1HB LEU 61 HB2 LEU 61 -6.708 -4.993 1.568 404 2HB LEU 61 HB1 LEU 61 -6.962 -6.512 2.405 405 HG LEU 61 HG LEU 61 -7.371 -3.766 3.599 406 1HD1 LEU 61 HD11 LEU 61 -9.787 -4.885 3.667 407 2HD1 LEU 61 HD12 LEU 61 -9.158 -5.689 2.229 408 3HD1 LEU 61 HD13 LEU 61 -9.222 -3.928 2.298 409 1HD2 LEU 61 HD21 LEU 61 -6.742 -5.200 5.364 410 2HD2 LEU 61 HD22 LEU 61 -7.689 -6.540 4.717 411 3HD2 LEU 61 HD23 LEU 61 -8.504 -5.137 5.407 412 H ALA 62 HN ALA 62 -4.548 -5.423 0.528 413 HA ALA 62 HA ALA 62 -2.658 -7.623 0.681 414 1HB ALA 62 HB1 ALA 62 -4.313 -9.091 0.197 415 2HB ALA 62 HB2 ALA 62 -3.961 -8.565 -1.448 416 3HB ALA 62 HB3 ALA 62 -5.327 -7.872 -0.574 417 H VAL 63 HN VAL 63 -1.412 -7.920 -1.294 418 HA VAL 63 HA VAL 63 -1.506 -5.638 -3.150 419 HB VAL 63 HB VAL 63 1.088 -6.738 -2.063 420 1HG1 VAL 63 HG11 VAL 63 0.707 -5.388 -4.344 421 2HG1 VAL 63 HG12 VAL 63 2.161 -5.222 -3.361 422 3HG1 VAL 63 HG13 VAL 63 0.868 -4.030 -3.232 423 1HG2 VAL 63 HG21 VAL 63 0.212 -5.740 -0.160 424 2HG2 VAL 63 HG22 VAL 63 -0.615 -4.482 -1.077 425 3HG2 VAL 63 HG23 VAL 63 1.138 -4.430 -0.892 426 H ASN 64 HN ASN 64 -1.751 -6.398 -5.149 427 HA ASN 64 HA ASN 64 -1.690 -7.732 -6.987 428 1HB ASN 64 HB2 ASN 64 0.929 -7.425 -6.143 429 2HB ASN 64 HB1 ASN 64 0.779 -9.167 -6.339 430 1HD2 ASN 64 HD21 ASN 64 1.297 -6.232 -7.896 431 2HD2 ASN 64 HD22 ASN 64 1.148 -6.781 -9.528 432 H GLY 65 HN GLY 65 -3.122 -8.738 -4.753 433 1HA GLY 65 HA2 GLY 65 -4.343 -10.682 -4.410 434 2HA GLY 65 HA1 GLY 65 -3.267 -11.521 -5.512 435 H VAL 66 HN VAL 66 -1.422 -9.905 -3.202 436 HA VAL 66 HA VAL 66 -1.000 -12.411 -1.745 437 HB VAL 66 HB VAL 66 0.693 -9.908 -1.659 438 1HG1 VAL 66 HG11 VAL 66 2.119 -11.002 -0.296 439 2HG1 VAL 66 HG12 VAL 66 1.841 -12.558 -1.076 440 3HG1 VAL 66 HG13 VAL 66 0.688 -11.948 0.110 441 1HG2 VAL 66 HG21 VAL 66 0.554 -12.091 -3.623 442 2HG2 VAL 66 HG22 VAL 66 2.173 -11.715 -3.036 443 3HG2 VAL 66 HG23 VAL 66 1.192 -10.455 -3.785 444 H ASN 67 HN ASN 67 -1.906 -12.674 0.185 445 HA ASN 67 HA ASN 67 -3.347 -10.655 1.520 446 1HB ASN 67 HB2 ASN 67 -3.818 -13.084 1.747 447 2HB ASN 67 HB1 ASN 67 -2.325 -13.270 2.660 448 1HD2 ASN 67 HD21 ASN 67 -2.412 -13.027 4.797 449 2HD2 ASN 67 HD22 ASN 67 -3.740 -12.357 5.674 450 H LEU 68 HN LEU 68 -2.727 -9.114 2.891 451 HA LEU 68 HA LEU 68 -0.018 -9.284 4.035 452 1HB LEU 68 HB2 LEU 68 -1.287 -7.232 2.532 453 2HB LEU 68 HB1 LEU 68 -1.031 -6.623 4.157 454 HG LEU 68 HG LEU 68 1.404 -7.567 3.790 455 1HD1 LEU 68 HD11 LEU 68 0.261 -8.066 1.276 456 2HD1 LEU 68 HD12 LEU 68 1.956 -8.209 1.742 457 3HD1 LEU 68 HD13 LEU 68 1.353 -6.698 1.062 458 1HD2 LEU 68 HD21 LEU 68 0.877 -5.242 4.235 459 2HD2 LEU 68 HD22 LEU 68 0.391 -5.008 2.556 460 3HD2 LEU 68 HD23 LEU 68 2.074 -5.360 2.946 461 H ARG 69 HN ARG 69 -3.086 -9.810 4.962 462 HA ARG 69 HA ARG 69 -3.343 -8.240 7.314 463 1HB ARG 69 HB2 ARG 69 -5.196 -9.467 6.070 464 2HB ARG 69 HB1 ARG 69 -4.618 -10.934 6.845 465 1HG ARG 69 HG2 ARG 69 -4.964 -9.748 9.053 466 2HG ARG 69 HG1 ARG 69 -5.825 -8.507 8.139 467 1HD ARG 69 HD2 ARG 69 -7.560 -9.924 7.593 468 2HD ARG 69 HD1 ARG 69 -6.573 -11.373 7.776 469 HE ARG 69 HE ARG 69 -7.009 -9.955 10.240 470 1HH1 ARG 69 HH11 ARG 69 -8.333 -12.346 8.050 471 2HH1 ARG 69 HH12 ARG 69 -9.278 -13.124 9.273 472 1HH2 ARG 69 HH21 ARG 69 -8.263 -10.985 11.849 473 2HH2 ARG 69 HH22 ARG 69 -9.239 -12.352 11.429 474 H ASP 70 HN ASP 70 -1.880 -11.373 6.634 475 HA ASP 70 HA ASP 70 -1.172 -11.648 9.472 476 1HB ASP 70 HB2 ASP 70 -1.607 -13.591 7.264 477 2HB ASP 70 HB1 ASP 70 -0.407 -14.009 8.484 478 H THR 71 HN THR 71 0.151 -10.072 7.081 479 HA THR 71 HA THR 71 2.857 -11.174 7.324 480 HB THR 71 HB THR 71 1.901 -8.975 5.483 481 HG1 THR 71 HG1 THR 71 0.782 -10.794 4.897 482 1HG2 THR 71 HG21 THR 71 4.184 -8.826 5.398 483 2HG2 THR 71 HG22 THR 71 3.851 -9.979 4.107 484 3HG2 THR 71 HG23 THR 71 4.418 -10.552 5.675 485 H LYS 72 HN LYS 72 4.654 -9.722 7.757 486 HA LYS 72 HA LYS 72 3.941 -7.707 9.746 487 1HB LYS 72 HB2 LYS 72 6.280 -9.416 9.213 488 2HB LYS 72 HB1 LYS 72 6.672 -7.791 9.754 489 1HG LYS 72 HG2 LYS 72 6.529 -9.420 11.594 490 2HG LYS 72 HG1 LYS 72 5.382 -8.089 11.761 491 1HD LYS 72 HD2 LYS 72 3.562 -9.449 11.105 492 2HD LYS 72 HD1 LYS 72 4.630 -10.724 10.518 493 1HE LYS 72 HE2 LYS 72 5.290 -11.297 12.735 494 2HE LYS 72 HE1 LYS 72 4.492 -9.874 13.403 495 1HZ LYS 72 HZ1 LYS 72 3.245 -11.977 13.707 496 2HZ LYS 72 HZ2 LYS 72 3.059 -12.082 12.029 497 3HZ LYS 72 HZ3 LYS 72 2.369 -10.790 12.877 498 H HIS 73 HN HIS 73 5.137 -5.648 9.822 499 HA HIS 73 HA HIS 73 4.820 -4.126 7.520 500 1HB HIS 73 HB2 HIS 73 4.980 -3.202 9.821 501 2HB HIS 73 HB1 HIS 73 6.707 -3.541 9.815 502 HD1 HIS 73 HD1 HIS 73 8.078 -1.572 9.250 503 HD2 HIS 73 HD2 HIS 73 4.321 -1.381 7.484 504 HE1 HIS 73 HE1 HIS 73 8.017 0.630 8.036 505 HE2 HIS 73 HE2 HIS 73 5.710 0.753 7.031 506 H LYS 74 HN LYS 74 7.855 -5.435 8.878 507 HA LYS 74 HA LYS 74 9.551 -4.472 6.855 508 1HB LYS 74 HB2 LYS 74 9.968 -5.744 9.201 509 2HB LYS 74 HB1 LYS 74 10.243 -7.077 8.088 510 1HG LYS 74 HG2 LYS 74 11.751 -5.253 6.883 511 2HG LYS 74 HG1 LYS 74 11.815 -4.605 8.523 512 1HD LYS 74 HD2 LYS 74 13.440 -6.072 8.937 513 2HD LYS 74 HD1 LYS 74 12.219 -7.343 8.834 514 1HE LYS 74 HE2 LYS 74 13.530 -6.295 6.353 515 2HE LYS 74 HE1 LYS 74 14.357 -7.484 7.359 516 1HZ LYS 74 HZ1 LYS 74 12.730 -8.159 5.392 517 2HZ LYS 74 HZ2 LYS 74 11.591 -8.073 6.639 518 3HZ LYS 74 HZ3 LYS 74 12.919 -9.111 6.778 519 H GLU 75 HN GLU 75 7.700 -7.470 7.132 520 HA GLU 75 HA GLU 75 8.764 -8.770 4.864 521 1HB GLU 75 HB2 GLU 75 6.174 -9.051 6.375 522 2HB GLU 75 HB1 GLU 75 6.511 -10.014 4.944 523 1HG GLU 75 HG2 GLU 75 8.643 -10.024 6.957 524 2HG GLU 75 HG1 GLU 75 7.119 -10.742 7.478 525 H ALA 76 HN ALA 76 6.057 -6.538 5.286 526 HA ALA 76 HA ALA 76 4.955 -6.788 2.708 527 1HB ALA 76 HB1 ALA 76 4.879 -4.479 4.645 528 2HB ALA 76 HB2 ALA 76 3.683 -5.764 4.468 529 3HB ALA 76 HB3 ALA 76 3.909 -4.585 3.175 530 H VAL 77 HN VAL 77 7.635 -4.864 3.937 531 HA VAL 77 HA VAL 77 7.880 -3.075 1.777 532 HB VAL 77 HB VAL 77 10.136 -4.148 3.485 533 1HG1 VAL 77 HG11 VAL 77 9.894 -1.962 1.500 534 2HG1 VAL 77 HG12 VAL 77 11.278 -2.973 1.912 535 3HG1 VAL 77 HG13 VAL 77 10.831 -1.623 2.955 536 1HG2 VAL 77 HG21 VAL 77 9.046 -1.525 4.163 537 2HG2 VAL 77 HG22 VAL 77 9.469 -2.881 5.207 538 3HG2 VAL 77 HG23 VAL 77 7.901 -2.843 4.403 539 H THR 78 HN THR 78 9.217 -6.309 2.324 540 HA THR 78 HA THR 78 10.778 -6.357 -0.053 541 HB THR 78 HB THR 78 9.800 -8.926 1.069 542 HG1 THR 78 HG1 THR 78 10.519 -8.612 3.016 543 1HG2 THR 78 HG21 THR 78 12.449 -9.078 1.207 544 2HG2 THR 78 HG22 THR 78 12.310 -7.830 -0.031 545 3HG2 THR 78 HG23 THR 78 11.549 -9.402 -0.274 546 H ILE 79 HN ILE 79 7.522 -7.507 0.771 547 HA ILE 79 HA ILE 79 6.993 -8.837 -1.651 548 HB ILE 79 HB ILE 79 4.956 -7.491 0.131 549 1HG1 ILE 79 HG12 ILE 79 5.528 -10.419 0.260 550 2HG1 ILE 79 HG11 ILE 79 6.655 -9.326 1.055 551 1HG2 ILE 79 HG21 ILE 79 3.520 -9.395 -0.808 552 2HG2 ILE 79 HG22 ILE 79 4.764 -9.546 -2.049 553 3HG2 ILE 79 HG23 ILE 79 3.875 -8.034 -1.872 554 1HD1 ILE 79 HD11 ILE 79 5.312 -9.347 2.808 555 2HD1 ILE 79 HD12 ILE 79 4.077 -10.234 1.916 556 3HD1 ILE 79 HD13 ILE 79 4.121 -8.474 1.846 557 H LEU 80 HN LEU 80 6.200 -5.490 -0.647 558 HA LEU 80 HA LEU 80 4.917 -4.787 -3.052 559 1HB LEU 80 HB2 LEU 80 5.302 -2.438 -2.392 560 2HB LEU 80 HB1 LEU 80 4.577 -3.411 -1.130 561 HG LEU 80 HG LEU 80 7.092 -3.632 -0.324 562 1HD1 LEU 80 HD11 LEU 80 7.445 -0.852 -1.076 563 2HD1 LEU 80 HD12 LEU 80 7.449 -1.929 -2.472 564 3HD1 LEU 80 HD13 LEU 80 8.583 -2.196 -1.148 565 1HD2 LEU 80 HD21 LEU 80 5.033 -1.541 0.133 566 2HD2 LEU 80 HD22 LEU 80 6.623 -1.319 0.863 567 3HD2 LEU 80 HD23 LEU 80 5.674 -2.758 1.236 568 H SER 81 HN SER 81 8.307 -4.750 -2.116 569 HA SER 81 HA SER 81 9.260 -3.242 -4.310 570 1HB SER 81 HB2 SER 81 10.500 -5.044 -2.283 571 2HB SER 81 HB1 SER 81 11.429 -4.677 -3.737 572 HG SER 81 HG SER 81 10.641 -3.008 -1.654 573 H GLN 82 HN GLN 82 8.545 -6.664 -3.894 574 HA GLN 82 HA GLN 82 9.847 -7.609 -6.220 575 1HB GLN 82 HB2 GLN 82 7.378 -8.807 -4.953 576 2HB GLN 82 HB1 GLN 82 8.568 -9.630 -5.949 577 1HG GLN 82 HG2 GLN 82 10.003 -8.541 -3.809 578 2HG GLN 82 HG1 GLN 82 8.531 -9.213 -3.112 579 1HE2 GLN 82 HE21 GLN 82 11.544 -9.979 -3.372 580 2HE2 GLN 82 HE22 GLN 82 11.469 -11.667 -3.731 581 H GLN 83 HN GLN 83 6.777 -6.026 -5.720 582 HA GLN 83 HA GLN 83 5.495 -6.806 -8.111 583 1HB GLN 83 HB2 GLN 83 5.087 -4.196 -6.652 584 2HB GLN 83 HB1 GLN 83 3.945 -5.030 -7.694 585 1HG GLN 83 HG2 GLN 83 4.844 -5.798 -4.936 586 2HG GLN 83 HG1 GLN 83 3.221 -5.387 -5.482 587 1HE2 GLN 83 HE21 GLN 83 4.223 -7.772 -4.089 588 2HE2 GLN 83 HE22 GLN 83 3.791 -9.114 -5.088 589 H ARG 84 HN ARG 84 6.259 -6.482 -10.081 590 HA ARG 84 HA ARG 84 7.761 -4.024 -10.678 591 1HB ARG 84 HB2 ARG 84 8.889 -6.186 -11.104 592 2HB ARG 84 HB1 ARG 84 7.602 -6.625 -12.215 593 1HG ARG 84 HG2 ARG 84 8.557 -4.136 -13.091 594 2HG ARG 84 HG1 ARG 84 9.981 -5.100 -12.695 595 1HD ARG 84 HD2 ARG 84 8.499 -6.931 -14.020 596 2HD ARG 84 HD1 ARG 84 7.978 -5.455 -14.830 597 HE ARG 84 HE ARG 84 10.551 -6.725 -15.014 598 1HH1 ARG 84 HH11 ARG 84 8.827 -3.695 -15.364 599 2HH1 ARG 84 HH12 ARG 84 9.986 -3.018 -16.456 600 1HH2 ARG 84 HH21 ARG 84 12.077 -5.827 -16.457 601 2HH2 ARG 84 HH22 ARG 84 11.833 -4.229 -17.078 602 H GLY 85 HN GLY 85 7.188 -2.689 -12.393 603 1HA GLY 85 HA2 GLY 85 5.813 -1.663 -13.917 604 2HA GLY 85 HA1 GLY 85 5.280 -3.275 -14.369 605 H GLU 86 HN GLU 86 3.262 -3.901 -13.855 606 HA GLU 86 HA GLU 86 1.500 -1.956 -12.657 607 1HB GLU 86 HB2 GLU 86 1.004 -3.548 -14.652 608 2HB GLU 86 HB1 GLU 86 0.687 -4.750 -13.408 609 1HG GLU 86 HG2 GLU 86 -0.841 -2.804 -12.452 610 2HG GLU 86 HG1 GLU 86 -0.852 -2.330 -14.150 611 H ILE 87 HN ILE 87 0.860 -1.896 -10.601 612 HA ILE 87 HA ILE 87 1.209 -4.317 -8.958 613 HB ILE 87 HB ILE 87 1.638 -1.541 -7.871 614 1HG1 ILE 87 HG12 ILE 87 3.747 -3.462 -8.892 615 2HG1 ILE 87 HG11 ILE 87 3.299 -1.938 -9.649 616 1HG2 ILE 87 HG21 ILE 87 1.234 -2.988 -6.104 617 2HG2 ILE 87 HG22 ILE 87 2.994 -2.984 -6.208 618 3HG2 ILE 87 HG23 ILE 87 2.074 -4.331 -6.878 619 1HD1 ILE 87 HD11 ILE 87 4.028 -0.772 -7.579 620 2HD1 ILE 87 HD12 ILE 87 5.319 -1.612 -8.438 621 3HD1 ILE 87 HD13 ILE 87 4.624 -2.320 -6.980 622 H GLU 88 HN GLU 88 -0.620 -4.964 -8.061 623 HA GLU 88 HA GLU 88 -2.898 -3.140 -7.935 624 1HB GLU 88 HB2 GLU 88 -2.547 -6.099 -7.943 625 2HB GLU 88 HB1 GLU 88 -3.951 -5.452 -7.106 626 1HG GLU 88 HG2 GLU 88 -4.913 -4.666 -9.030 627 2HG GLU 88 HG1 GLU 88 -3.372 -4.527 -9.875 628 H PHE 89 HN PHE 89 -3.665 -2.316 -6.078 629 HA PHE 89 HA PHE 89 -2.664 -3.441 -3.547 630 1HB PHE 89 HB2 PHE 89 -2.320 -0.773 -4.616 631 2HB PHE 89 HB1 PHE 89 -3.191 -0.722 -3.088 632 HD1 PHE 89 HD1 PHE 89 -0.005 -1.049 -4.660 633 HD2 PHE 89 HD2 PHE 89 -2.153 -1.904 -1.085 634 HE1 PHE 89 HE1 PHE 89 2.120 -1.284 -3.443 635 HE2 PHE 89 HE2 PHE 89 -0.031 -2.140 0.137 636 HZ PHE 89 HZ PHE 89 2.109 -1.829 -1.041 637 H GLU 90 HN GLU 90 -4.174 -3.927 -2.089 638 HA GLU 90 HA GLU 90 -6.917 -2.973 -2.581 639 1HB GLU 90 HB2 GLU 90 -5.805 -5.586 -1.881 640 2HB GLU 90 HB1 GLU 90 -7.122 -5.102 -0.820 641 1HG GLU 90 HG2 GLU 90 -8.635 -5.557 -2.370 642 2HG GLU 90 HG1 GLU 90 -7.794 -4.572 -3.566 643 H VAL 91 HN VAL 91 -7.535 -1.427 -1.254 644 HA VAL 91 HA VAL 91 -6.788 -1.589 1.581 645 HB VAL 91 HB VAL 91 -6.563 0.915 1.607 646 1HG1 VAL 91 HG11 VAL 91 -4.469 0.128 1.792 647 2HG1 VAL 91 HG12 VAL 91 -4.299 0.680 0.126 648 3HG1 VAL 91 HG13 VAL 91 -4.669 -1.011 0.461 649 1HG2 VAL 91 HG21 VAL 91 -5.795 1.720 -0.802 650 2HG2 VAL 91 HG22 VAL 91 -7.474 1.816 -0.276 651 3HG2 VAL 91 HG23 VAL 91 -6.949 0.485 -1.305 652 H VAL 92 HN VAL 92 -8.154 -0.180 2.969 653 HA VAL 92 HA VAL 92 -10.840 0.250 1.842 654 HB VAL 92 HB VAL 92 -11.776 -0.472 4.068 655 1HG1 VAL 92 HG11 VAL 92 -10.623 -2.197 1.989 656 2HG1 VAL 92 HG12 VAL 92 -12.268 -2.117 2.620 657 3HG1 VAL 92 HG13 VAL 92 -11.029 -3.013 3.498 658 1HG2 VAL 92 HG21 VAL 92 -10.318 -2.074 5.359 659 2HG2 VAL 92 HG22 VAL 92 -9.881 -0.371 5.495 660 3HG2 VAL 92 HG23 VAL 92 -8.949 -1.439 4.446 661 H TYR 93 HN TYR 93 -11.782 2.153 2.362 662 HA TYR 93 HA TYR 93 -10.252 4.194 3.590 663 1HB TYR 93 HB2 TYR 93 -12.340 4.231 1.901 664 2HB TYR 93 HB1 TYR 93 -13.200 4.537 3.404 665 HD1 TYR 93 HD1 TYR 93 -10.885 6.115 4.726 666 HD2 TYR 93 HD2 TYR 93 -12.749 6.365 0.908 667 HE1 TYR 93 HE1 TYR 93 -10.273 8.488 4.590 668 HE2 TYR 93 HE2 TYR 93 -12.143 8.741 0.763 669 HH TYR 93 HH TYR 93 -9.869 10.173 2.592 670 H VAL 94 HN VAL 94 -9.873 4.466 5.684 671 HA VAL 94 HA VAL 94 -11.984 3.718 7.597 672 HB VAL 94 HB VAL 94 -10.173 3.185 9.236 673 1HG1 VAL 94 HG11 VAL 94 -11.029 1.226 8.486 674 2HG1 VAL 94 HG12 VAL 94 -9.425 1.069 7.771 675 3HG1 VAL 94 HG13 VAL 94 -10.776 1.638 6.790 676 1HG2 VAL 94 HG21 VAL 94 -8.265 4.298 8.420 677 2HG2 VAL 94 HG22 VAL 94 -8.440 3.597 6.812 678 3HG2 VAL 94 HG23 VAL 94 -7.933 2.586 8.163 679 H ALA 95 HN ALA 95 -12.762 5.405 8.632 680 HA ALA 95 HA ALA 95 -10.953 7.581 9.418 681 1HB ALA 95 HB1 ALA 95 -11.866 8.705 7.667 682 2HB ALA 95 HB2 ALA 95 -13.109 9.045 8.870 683 3HB ALA 95 HB3 ALA 95 -13.353 7.759 7.688 Start of MODEL 17 1 HT1 PRO 9 HT2 PRO 9 -17.584 -2.213 2.668 2 HT2 PRO 9 HT1 PRO 9 -15.959 -2.216 2.929 3 HA PRO 9 HA PRO 9 -17.208 -1.605 0.748 4 1HB PRO 9 HB2 PRO 9 -16.071 1.014 1.190 5 2HB PRO 9 HB1 PRO 9 -17.705 0.586 0.670 6 1HG PRO 9 HG2 PRO 9 -17.119 1.647 3.123 7 2HG PRO 9 HG1 PRO 9 -18.529 0.623 2.797 8 1HD PRO 9 HD2 PRO 9 -15.898 -0.106 4.044 9 2HD PRO 9 HD1 PRO 9 -17.536 -0.605 4.506 10 H ILE 10 HN ILE 10 -15.533 -3.046 0.195 11 HA ILE 10 HA ILE 10 -12.775 -2.236 0.534 12 HB ILE 10 HB ILE 10 -13.416 -4.607 0.776 13 1HG1 ILE 10 HG12 ILE 10 -11.692 -5.274 -1.283 14 2HG1 ILE 10 HG11 ILE 10 -11.302 -3.587 -0.969 15 1HG2 ILE 10 HG21 ILE 10 -14.446 -5.848 -0.794 16 2HG2 ILE 10 HG22 ILE 10 -13.618 -5.049 -2.130 17 3HG2 ILE 10 HG23 ILE 10 -15.007 -4.277 -1.366 18 1HD1 ILE 10 HD11 ILE 10 -11.550 -5.156 1.464 19 2HD1 ILE 10 HD12 ILE 10 -10.260 -4.078 0.930 20 3HD1 ILE 10 HD13 ILE 10 -10.299 -5.751 0.373 21 H ARG 11 HN ARG 11 -11.750 -0.937 -0.822 22 HA ARG 11 HA ARG 11 -12.720 -0.728 -3.594 23 1HB ARG 11 HB2 ARG 11 -12.181 1.252 -1.668 24 2HB ARG 11 HB1 ARG 11 -10.881 1.369 -2.846 25 1HG ARG 11 HG2 ARG 11 -12.562 1.544 -4.642 26 2HG ARG 11 HG1 ARG 11 -13.834 1.506 -3.419 27 1HD ARG 11 HD2 ARG 11 -12.496 3.496 -2.383 28 2HD ARG 11 HD1 ARG 11 -11.831 3.643 -4.009 29 HE ARG 11 HE ARG 11 -13.824 4.515 -4.695 30 1HH1 ARG 11 HH11 ARG 11 -14.346 2.843 -1.661 31 2HH1 ARG 11 HH12 ARG 11 -15.981 3.388 -1.498 32 1HH2 ARG 11 HH21 ARG 11 -15.980 5.234 -4.477 33 2HH2 ARG 11 HH22 ARG 11 -16.912 4.747 -3.100 34 H LYS 12 HN LYS 12 -11.439 -1.309 -5.233 35 HA LYS 12 HA LYS 12 -8.671 -2.091 -4.618 36 1HB LYS 12 HB2 LYS 12 -10.701 -3.040 -6.602 37 2HB LYS 12 HB1 LYS 12 -8.994 -3.232 -6.973 38 1HG LYS 12 HG2 LYS 12 -9.481 -5.243 -5.985 39 2HG LYS 12 HG1 LYS 12 -8.878 -4.317 -4.610 40 1HD LYS 12 HD2 LYS 12 -10.806 -5.273 -3.753 41 2HD LYS 12 HD1 LYS 12 -11.375 -3.684 -4.265 42 1HE LYS 12 HE2 LYS 12 -11.513 -5.936 -6.210 43 2HE LYS 12 HE1 LYS 12 -12.680 -5.901 -4.890 44 1HZ LYS 12 HZ1 LYS 12 -13.805 -4.671 -6.404 45 2HZ LYS 12 HZ2 LYS 12 -12.411 -4.114 -7.183 46 3HZ LYS 12 HZ3 LYS 12 -12.901 -3.411 -5.725 47 H VAL 13 HN VAL 13 -7.089 -0.792 -5.290 48 HA VAL 13 HA VAL 13 -7.531 0.846 -7.706 49 HB VAL 13 HB VAL 13 -5.928 1.717 -5.294 50 1HG1 VAL 13 HG11 VAL 13 -6.061 3.944 -6.423 51 2HG1 VAL 13 HG12 VAL 13 -6.733 3.126 -7.833 52 3HG1 VAL 13 HG13 VAL 13 -5.101 2.742 -7.285 53 1HG2 VAL 13 HG21 VAL 13 -8.344 3.232 -5.934 54 2HG2 VAL 13 HG22 VAL 13 -7.726 2.685 -4.376 55 3HG2 VAL 13 HG23 VAL 13 -8.662 1.585 -5.388 56 H LEU 14 HN LEU 14 -5.953 0.798 -9.220 57 HA LEU 14 HA LEU 14 -3.620 -0.891 -8.676 58 1HB LEU 14 HB2 LEU 14 -4.978 0.002 -11.205 59 2HB LEU 14 HB1 LEU 14 -3.367 -0.690 -11.231 60 HG LEU 14 HG LEU 14 -5.409 -2.266 -9.787 61 1HD1 LEU 14 HD11 LEU 14 -5.467 -1.973 -12.787 62 2HD1 LEU 14 HD12 LEU 14 -6.737 -1.491 -11.663 63 3HD1 LEU 14 HD13 LEU 14 -6.334 -3.197 -11.858 64 1HD2 LEU 14 HD21 LEU 14 -4.159 -4.069 -10.501 65 2HD2 LEU 14 HD22 LEU 14 -2.930 -2.814 -10.355 66 3HD2 LEU 14 HD23 LEU 14 -3.578 -3.235 -11.941 67 H LEU 15 HN LEU 15 -1.669 -0.035 -8.385 68 HA LEU 15 HA LEU 15 -1.237 2.777 -9.143 69 1HB LEU 15 HB2 LEU 15 -0.850 1.464 -6.712 70 2HB LEU 15 HB1 LEU 15 0.764 1.640 -7.371 71 HG LEU 15 HG LEU 15 -0.287 4.152 -7.750 72 1HD1 LEU 15 HD11 LEU 15 -1.703 4.782 -6.111 73 2HD1 LEU 15 HD12 LEU 15 -1.020 3.660 -4.935 74 3HD1 LEU 15 HD13 LEU 15 -2.156 3.079 -6.151 75 1HD2 LEU 15 HD21 LEU 15 1.117 4.774 -5.803 76 2HD2 LEU 15 HD22 LEU 15 1.935 3.708 -6.946 77 3HD2 LEU 15 HD23 LEU 15 1.303 3.060 -5.432 78 H LEU 16 HN LEU 16 0.296 3.297 -10.583 79 HA LEU 16 HA LEU 16 1.896 1.120 -11.719 80 1HB LEU 16 HB2 LEU 16 0.381 2.986 -12.960 81 2HB LEU 16 HB1 LEU 16 1.932 3.801 -12.970 82 HG LEU 16 HG LEU 16 1.609 2.606 -15.049 83 1HD1 LEU 16 HD11 LEU 16 3.615 1.109 -14.973 84 2HD1 LEU 16 HD12 LEU 16 3.678 1.388 -13.233 85 3HD1 LEU 16 HD13 LEU 16 3.878 2.737 -14.351 86 1HD2 LEU 16 HD21 LEU 16 0.053 0.899 -14.106 87 2HD2 LEU 16 HD22 LEU 16 1.454 0.069 -13.432 88 3HD2 LEU 16 HD23 LEU 16 1.288 0.242 -15.179 89 H LYS 17 HN LYS 17 3.909 0.899 -10.991 90 HA LYS 17 HA LYS 17 5.506 3.312 -10.489 91 1HB LYS 17 HB2 LYS 17 4.698 2.451 -8.320 92 2HB LYS 17 HB1 LYS 17 5.424 0.892 -8.675 93 1HG LYS 17 HG2 LYS 17 7.396 2.952 -8.951 94 2HG LYS 17 HG1 LYS 17 6.594 3.090 -7.386 95 1HD LYS 17 HD2 LYS 17 7.533 0.421 -8.360 96 2HD LYS 17 HD1 LYS 17 8.680 1.553 -7.639 97 1HE LYS 17 HE2 LYS 17 6.369 1.464 -5.987 98 2HE LYS 17 HE1 LYS 17 6.845 -0.195 -6.343 99 1HZ LYS 17 HZ1 LYS 17 8.881 1.753 -5.489 100 2HZ LYS 17 HZ2 LYS 17 8.871 0.072 -5.315 101 3HZ LYS 17 HZ3 LYS 17 7.881 1.026 -4.333 102 H GLU 18 HN GLU 18 7.446 3.264 -11.418 103 HA GLU 18 HA GLU 18 8.297 0.799 -12.738 104 1HB GLU 18 HB2 GLU 18 8.687 3.686 -13.197 105 2HB GLU 18 HB1 GLU 18 10.099 2.688 -13.521 106 1HG GLU 18 HG2 GLU 18 9.183 1.735 -15.337 107 2HG GLU 18 HG1 GLU 18 7.565 1.698 -14.638 108 H ASP 19 HN ASP 19 10.755 0.506 -12.853 109 HA ASP 19 HA ASP 19 11.736 -0.069 -10.294 110 1HB ASP 19 HB2 ASP 19 12.452 -0.990 -12.626 111 2HB ASP 19 HB1 ASP 19 13.581 0.362 -12.625 112 H HIS 20 HN HIS 20 12.261 2.715 -12.406 113 HA HIS 20 HA HIS 20 14.240 3.903 -10.706 114 1HB HIS 20 HB2 HIS 20 14.045 5.861 -12.195 115 2HB HIS 20 HB1 HIS 20 14.288 4.368 -13.089 116 HD1 HIS 20 HD1 HIS 20 11.855 7.131 -12.568 117 HD2 HIS 20 HD2 HIS 20 12.078 3.547 -14.659 118 HE1 HIS 20 HE1 HIS 20 9.951 7.191 -14.211 119 HE2 HIS 20 HE2 HIS 20 10.135 5.033 -15.499 120 H GLU 21 HN GLU 21 10.757 4.004 -10.871 121 HA GLU 21 HA GLU 21 10.600 6.373 -9.180 122 1HB GLU 21 HB2 GLU 21 8.337 4.639 -10.178 123 2HB GLU 21 HB1 GLU 21 8.208 6.245 -9.479 124 1HG GLU 21 HG2 GLU 21 9.806 6.843 -11.508 125 2HG GLU 21 HG1 GLU 21 9.035 5.417 -12.197 126 H GLY 22 HN GLY 22 9.047 6.292 -7.290 127 1HA GLY 22 HA2 GLY 22 9.424 3.773 -5.780 128 2HA GLY 22 HA1 GLY 22 9.593 5.359 -5.045 129 H LEU 23 HN LEU 23 7.999 4.363 -3.520 130 HA LEU 23 HA LEU 23 5.340 3.809 -4.319 131 1HB LEU 23 HB2 LEU 23 6.833 3.871 -1.868 132 2HB LEU 23 HB1 LEU 23 5.315 4.712 -1.633 133 HG LEU 23 HG LEU 23 4.947 2.467 -0.988 134 1HD1 LEU 23 HD11 LEU 23 3.739 1.934 -3.539 135 2HD1 LEU 23 HD12 LEU 23 3.532 3.629 -3.100 136 3HD1 LEU 23 HD13 LEU 23 2.983 2.362 -2.005 137 1HD2 LEU 23 HD21 LEU 23 6.997 1.679 -2.343 138 2HD2 LEU 23 HD22 LEU 23 5.834 1.408 -3.641 139 3HD2 LEU 23 HD23 LEU 23 5.652 0.565 -2.103 140 H GLY 24 HN GLY 24 6.420 6.578 -2.319 141 1HA GLY 24 HA2 GLY 24 5.966 8.855 -2.945 142 2HA GLY 24 HA1 GLY 24 4.579 8.292 -3.853 143 H ILE 25 HN ILE 25 4.614 6.685 -0.912 144 HA ILE 25 HA ILE 25 3.240 8.796 0.559 145 HB ILE 25 HB ILE 25 1.319 7.359 1.101 146 1HG1 ILE 25 HG12 ILE 25 2.509 5.191 0.575 147 2HG1 ILE 25 HG11 ILE 25 0.862 5.310 -0.031 148 1HG2 ILE 25 HG21 ILE 25 1.753 7.974 -1.809 149 2HG2 ILE 25 HG22 ILE 25 0.972 8.983 -0.594 150 3HG2 ILE 25 HG23 ILE 25 0.198 7.494 -1.134 151 1HD1 ILE 25 HD11 ILE 25 2.446 6.258 -2.108 152 2HD1 ILE 25 HD12 ILE 25 1.655 4.686 -2.000 153 3HD1 ILE 25 HD13 ILE 25 3.323 4.874 -1.458 154 H SER 26 HN SER 26 2.991 8.358 2.812 155 HA SER 26 HA SER 26 4.977 6.441 3.801 156 1HB SER 26 HB2 SER 26 4.695 9.057 4.419 157 2HB SER 26 HB1 SER 26 3.697 8.341 5.685 158 HG SER 26 HG SER 26 5.917 8.556 6.283 159 H ILE 27 HN ILE 27 4.471 4.777 5.126 160 HA ILE 27 HA ILE 27 1.619 4.406 5.779 161 HB ILE 27 HB ILE 27 2.215 1.917 5.799 162 1HG1 ILE 27 HG12 ILE 27 4.538 2.930 4.141 163 2HG1 ILE 27 HG11 ILE 27 4.677 2.246 5.757 164 1HG2 ILE 27 HG21 ILE 27 0.812 2.924 4.094 165 2HG2 ILE 27 HG22 ILE 27 1.881 1.721 3.371 166 3HG2 ILE 27 HG23 ILE 27 2.240 3.439 3.195 167 1HD1 ILE 27 HD11 ILE 27 4.616 0.924 3.233 168 2HD1 ILE 27 HD12 ILE 27 3.263 0.371 4.220 169 3HD1 ILE 27 HD13 ILE 27 4.912 0.254 4.837 170 H THR 28 HN THR 28 1.051 3.655 7.796 171 HA THR 28 HA THR 28 3.233 3.446 9.766 172 HB THR 28 HB THR 28 2.066 5.578 10.025 173 HG1 THR 28 HG1 THR 28 1.718 5.391 12.182 174 1HG2 THR 28 HG21 THR 28 -0.429 4.649 11.087 175 2HG2 THR 28 HG22 THR 28 -0.257 4.163 9.401 176 3HG2 THR 28 HG23 THR 28 -0.116 5.862 9.847 177 H GLY 29 HN GLY 29 2.753 2.166 11.678 178 1HA GLY 29 HA2 GLY 29 1.395 0.566 12.838 179 2HA GLY 29 HA1 GLY 29 0.576 0.214 11.323 180 H GLY 30 HN GLY 30 0.930 -1.977 11.271 181 1HA GLY 30 HA2 GLY 30 2.733 -3.288 9.987 182 2HA GLY 30 HA1 GLY 30 3.735 -2.883 11.369 183 H LYS 31 HN LYS 31 2.460 -5.418 10.117 184 HA LYS 31 HA LYS 31 0.655 -6.611 11.838 185 1HB LYS 31 HB2 LYS 31 2.136 -7.416 9.649 186 2HB LYS 31 HB1 LYS 31 2.720 -8.465 10.933 187 1HG LYS 31 HG2 LYS 31 -0.214 -8.112 10.497 188 2HG LYS 31 HG1 LYS 31 0.719 -9.211 9.481 189 1HD LYS 31 HD2 LYS 31 0.919 -10.737 11.115 190 2HD LYS 31 HD1 LYS 31 1.243 -9.514 12.345 191 1HE LYS 31 HE2 LYS 31 -1.516 -9.631 11.292 192 2HE LYS 31 HE1 LYS 31 -0.997 -10.997 12.277 193 1HZ LYS 31 HZ1 LYS 31 -1.453 -8.218 13.042 194 2HZ LYS 31 HZ2 LYS 31 -0.173 -9.013 13.810 195 3HZ LYS 31 HZ3 LYS 31 -1.740 -9.642 13.910 196 H GLU 32 HN GLU 32 4.105 -6.129 12.275 197 HA GLU 32 HA GLU 32 4.611 -7.970 14.310 198 1HB GLU 32 HB2 GLU 32 5.826 -5.310 13.612 199 2HB GLU 32 HB1 GLU 32 6.370 -6.204 15.024 200 1HG GLU 32 HG2 GLU 32 7.157 -7.994 13.717 201 2HG GLU 32 HG1 GLU 32 6.301 -7.426 12.285 202 H HIS 33 HN HIS 33 2.964 -4.879 14.415 203 HA HIS 33 HA HIS 33 2.933 -4.885 17.334 204 1HB HIS 33 HB2 HIS 33 1.758 -2.883 15.393 205 2HB HIS 33 HB1 HIS 33 1.880 -2.686 17.138 206 HD1 HIS 33 HD1 HIS 33 4.558 -2.922 17.979 207 HD2 HIS 33 HD2 HIS 33 3.785 -1.650 14.099 208 HE1 HIS 33 HE1 HIS 33 6.651 -1.750 17.226 209 HE2 HIS 33 HE2 HIS 33 6.208 -1.111 14.830 210 H GLY 34 HN GLY 34 1.386 -6.818 15.497 211 1HA GLY 34 HA2 GLY 34 -0.637 -7.887 15.560 212 2HA GLY 34 HA1 GLY 34 -0.872 -7.125 17.124 213 H VAL 35 HN VAL 35 -0.434 -5.249 14.192 214 HA VAL 35 HA VAL 35 -3.304 -4.802 13.931 215 HB VAL 35 HB VAL 35 -2.924 -2.299 13.890 216 1HG1 VAL 35 HG11 VAL 35 -3.600 -2.128 16.050 217 2HG1 VAL 35 HG12 VAL 35 -2.331 -3.196 16.650 218 3HG1 VAL 35 HG13 VAL 35 -3.758 -3.875 15.867 219 1HG2 VAL 35 HG21 VAL 35 -0.323 -3.146 15.150 220 2HG2 VAL 35 HG22 VAL 35 -0.990 -1.521 15.296 221 3HG2 VAL 35 HG23 VAL 35 -0.557 -2.157 13.709 222 HA PRO 36 HA PRO 36 -2.226 -4.742 9.618 223 1HB PRO 36 HB2 PRO 36 -4.605 -3.013 9.267 224 2HB PRO 36 HB1 PRO 36 -4.243 -4.588 8.553 225 1HG PRO 36 HG2 PRO 36 -6.084 -4.333 10.474 226 2HG PRO 36 HG1 PRO 36 -5.022 -5.751 10.397 227 1HD PRO 36 HD2 PRO 36 -4.854 -3.350 12.181 228 2HD PRO 36 HD1 PRO 36 -4.583 -5.062 12.568 229 H ILE 37 HN ILE 37 -1.468 -3.318 7.988 230 HA ILE 37 HA ILE 37 -0.524 -0.772 9.029 231 HB ILE 37 HB ILE 37 0.056 -2.023 6.337 232 1HG1 ILE 37 HG12 ILE 37 2.146 -2.059 8.415 233 2HG1 ILE 37 HG11 ILE 37 0.767 -3.099 8.753 234 1HG2 ILE 37 HG21 ILE 37 1.776 -0.465 6.089 235 2HG2 ILE 37 HG22 ILE 37 1.759 -0.032 7.798 236 3HG2 ILE 37 HG23 ILE 37 0.442 0.482 6.744 237 1HD1 ILE 37 HD11 ILE 37 1.137 -4.399 6.852 238 2HD1 ILE 37 HD12 ILE 37 2.745 -4.110 7.517 239 3HD1 ILE 37 HD13 ILE 37 2.190 -3.187 6.121 240 H LEU 38 HN LEU 38 -1.098 1.232 8.287 241 HA LEU 38 HA LEU 38 -3.055 1.389 6.098 242 1HB LEU 38 HB2 LEU 38 -3.349 3.067 8.574 243 2HB LEU 38 HB1 LEU 38 -4.524 2.776 7.305 244 HG LEU 38 HG LEU 38 -4.287 0.268 8.209 245 1HD1 LEU 38 HD11 LEU 38 -2.637 0.746 9.894 246 2HD1 LEU 38 HD12 LEU 38 -4.160 0.328 10.679 247 3HD1 LEU 38 HD13 LEU 38 -3.651 2.014 10.582 248 1HD2 LEU 38 HD21 LEU 38 -6.265 2.005 8.116 249 2HD2 LEU 38 HD22 LEU 38 -5.988 2.072 9.857 250 3HD2 LEU 38 HD23 LEU 38 -6.383 0.537 9.084 251 H ILE 39 HN ILE 39 -3.230 3.498 5.101 252 HA ILE 39 HA ILE 39 -0.662 4.867 5.013 253 HB ILE 39 HB ILE 39 -3.119 5.485 3.367 254 1HG1 ILE 39 HG12 ILE 39 -0.823 3.702 2.541 255 2HG1 ILE 39 HG11 ILE 39 -2.333 3.074 3.193 256 1HG2 ILE 39 HG21 ILE 39 -1.183 7.135 3.531 257 2HG2 ILE 39 HG22 ILE 39 -1.689 6.649 1.914 258 3HG2 ILE 39 HG23 ILE 39 -0.242 5.944 2.633 259 1HD1 ILE 39 HD11 ILE 39 -3.301 4.628 1.237 260 2HD1 ILE 39 HD12 ILE 39 -2.865 2.934 1.014 261 3HD1 ILE 39 HD13 ILE 39 -1.736 4.204 0.544 262 H SER 40 HN SER 40 -0.237 6.786 5.914 263 HA SER 40 HA SER 40 -2.499 8.371 6.948 264 1HB SER 40 HB2 SER 40 -0.327 7.208 8.376 265 2HB SER 40 HB1 SER 40 -0.122 8.959 8.418 266 HG SER 40 HG SER 40 -2.449 7.512 9.173 267 H GLU 41 HN GLU 41 0.836 8.521 5.700 268 HA GLU 41 HA GLU 41 0.402 11.369 5.087 269 1HB GLU 41 HB2 GLU 41 2.484 10.248 6.424 270 2HB GLU 41 HB1 GLU 41 3.113 10.245 4.784 271 1HG GLU 41 HG2 GLU 41 2.354 12.729 4.769 272 2HG GLU 41 HG1 GLU 41 2.381 12.554 6.524 273 H ILE 42 HN ILE 42 0.766 12.167 3.029 274 HA ILE 42 HA ILE 42 1.355 10.223 0.903 275 HB ILE 42 HB ILE 42 -0.844 12.290 0.696 276 1HG1 ILE 42 HG12 ILE 42 -1.090 9.296 1.088 277 2HG1 ILE 42 HG11 ILE 42 -1.449 10.514 2.306 278 1HG2 ILE 42 HG21 ILE 42 0.552 11.190 -1.326 279 2HG2 ILE 42 HG22 ILE 42 -1.140 11.667 -1.453 280 3HG2 ILE 42 HG23 ILE 42 -0.722 9.984 -1.139 281 1HD1 ILE 42 HD11 ILE 42 -3.386 11.177 1.262 282 2HD1 ILE 42 HD12 ILE 42 -3.364 9.447 0.922 283 3HD1 ILE 42 HD13 ILE 42 -2.861 10.595 -0.318 284 H HIS 43 HN HIS 43 2.743 10.964 -0.628 285 HA HIS 43 HA HIS 43 3.600 13.768 -0.418 286 1HB HIS 43 HB2 HIS 43 4.989 11.376 -1.647 287 2HB HIS 43 HB1 HIS 43 5.629 13.015 -1.650 288 HD1 HIS 43 HD1 HIS 43 6.863 13.774 0.404 289 HD2 HIS 43 HD2 HIS 43 4.888 10.163 0.958 290 HE1 HIS 43 HE1 HIS 43 7.633 12.926 2.639 291 HE2 HIS 43 HE2 HIS 43 6.234 10.873 3.050 292 HA PRO 44 HA PRO 44 1.127 14.310 -4.195 293 1HB PRO 44 HB2 PRO 44 2.374 17.001 -3.937 294 2HB PRO 44 HB1 PRO 44 0.680 16.564 -4.188 295 1HG PRO 44 HG2 PRO 44 1.518 17.414 -1.812 296 2HG PRO 44 HG1 PRO 44 0.331 16.102 -1.941 297 1HD PRO 44 HD2 PRO 44 3.254 15.961 -1.326 298 2HD PRO 44 HD1 PRO 44 1.911 15.017 -0.650 299 H GLY 45 HN GLY 45 1.631 14.495 -6.381 300 1HA GLY 45 HA2 GLY 45 3.054 15.021 -8.213 301 2HA GLY 45 HA1 GLY 45 4.421 15.055 -7.109 302 H GLN 46 HN GLN 46 3.648 12.507 -5.840 303 HA GLN 46 HA GLN 46 4.996 10.757 -7.672 304 1HB GLN 46 HB2 GLN 46 4.231 10.746 -4.844 305 2HB GLN 46 HB1 GLN 46 4.093 9.168 -5.606 306 1HG GLN 46 HG2 GLN 46 6.264 8.902 -5.270 307 2HG GLN 46 HG1 GLN 46 6.543 10.163 -6.470 308 1HE2 GLN 46 HE21 GLN 46 5.873 12.439 -5.278 309 2HE2 GLN 46 HE22 GLN 46 6.821 12.714 -3.860 310 HA PRO 47 HA PRO 47 1.741 8.527 -9.646 311 1HB PRO 47 HB2 PRO 47 2.121 5.908 -8.807 312 2HB PRO 47 HB1 PRO 47 2.967 6.682 -10.148 313 1HG PRO 47 HG2 PRO 47 3.864 6.252 -7.333 314 2HG PRO 47 HG1 PRO 47 4.794 6.143 -8.839 315 1HD PRO 47 HD2 PRO 47 5.002 8.266 -7.221 316 2HD PRO 47 HD1 PRO 47 5.058 8.443 -8.989 317 H ALA 48 HN ALA 48 2.120 7.911 -6.195 318 HA ALA 48 HA ALA 48 -0.332 6.636 -5.710 319 1HB ALA 48 HB1 ALA 48 1.550 8.225 -4.010 320 2HB ALA 48 HB2 ALA 48 1.162 6.506 -3.945 321 3HB ALA 48 HB3 ALA 48 -0.004 7.695 -3.364 322 H ASP 49 HN ASP 49 0.550 10.083 -5.631 323 HA ASP 49 HA ASP 49 -2.051 10.991 -4.907 324 1HB ASP 49 HB2 ASP 49 0.363 12.168 -4.876 325 2HB ASP 49 HB1 ASP 49 -0.235 12.809 -6.404 326 H ARG 50 HN ARG 50 -0.351 10.576 -7.976 327 HA ARG 50 HA ARG 50 -2.227 11.826 -9.653 328 1HB ARG 50 HB2 ARG 50 -0.034 9.851 -10.019 329 2HB ARG 50 HB1 ARG 50 -1.214 9.990 -11.313 330 1HG ARG 50 HG2 ARG 50 0.110 12.432 -10.209 331 2HG ARG 50 HG1 ARG 50 0.932 11.417 -11.396 332 1HD ARG 50 HD2 ARG 50 -1.859 12.145 -12.020 333 2HD ARG 50 HD1 ARG 50 -0.695 13.468 -12.041 334 HE ARG 50 HE ARG 50 0.521 11.565 -13.527 335 1HH1 ARG 50 HH11 ARG 50 -2.668 13.006 -13.657 336 2HH1 ARG 50 HH12 ARG 50 -2.828 12.799 -15.369 337 1HH2 ARG 50 HH21 ARG 50 0.302 11.297 -15.788 338 2HH2 ARG 50 HH22 ARG 50 -1.145 11.830 -16.577 339 H CYS 51 HN CYS 51 -2.200 8.647 -8.175 340 HA CYS 51 HA CYS 51 -4.168 7.487 -9.878 341 1HB CYS 51 HB2 CYS 51 -2.613 6.688 -7.568 342 2HB CYS 51 HB1 CYS 51 -4.283 6.151 -7.419 343 HG CYS 51 HG CYS 51 -3.760 5.127 -9.961 344 H GLY 52 HN GLY 52 -4.319 9.486 -7.003 345 1HA GLY 52 HA2 GLY 52 -6.160 10.653 -6.199 346 2HA GLY 52 HA1 GLY 52 -7.168 9.811 -7.364 347 H GLY 53 HN GLY 53 -7.014 7.221 -6.764 348 1HA GLY 53 HA2 GLY 53 -8.713 6.819 -4.638 349 2HA GLY 53 HA1 GLY 53 -7.675 5.572 -5.310 350 H LEU 54 HN LEU 54 -5.178 6.879 -4.550 351 HA LEU 54 HA LEU 54 -4.982 5.840 -1.901 352 1HB LEU 54 HB2 LEU 54 -3.196 6.197 -3.891 353 2HB LEU 54 HB1 LEU 54 -2.828 7.605 -2.913 354 HG LEU 54 HG LEU 54 -2.946 4.876 -1.671 355 1HD1 LEU 54 HD11 LEU 54 -1.236 4.214 -2.935 356 2HD1 LEU 54 HD12 LEU 54 -0.268 5.405 -2.068 357 3HD1 LEU 54 HD13 LEU 54 -1.008 5.825 -3.613 358 1HD2 LEU 54 HD21 LEU 54 -1.123 6.087 -0.272 359 2HD2 LEU 54 HD22 LEU 54 -2.824 6.472 -0.008 360 3HD2 LEU 54 HD23 LEU 54 -1.816 7.552 -0.970 361 H HIS 55 HN HIS 55 -6.290 6.953 -0.528 362 HA HIS 55 HA HIS 55 -5.696 9.811 -0.114 363 1HB HIS 55 HB2 HIS 55 -7.976 9.891 0.963 364 2HB HIS 55 HB1 HIS 55 -7.985 9.565 -0.767 365 HD1 HIS 55 HD1 HIS 55 -7.838 7.338 2.342 366 HD2 HIS 55 HD2 HIS 55 -9.822 7.657 -1.297 367 HE1 HIS 55 HE1 HIS 55 -9.402 5.378 2.254 368 HE2 HIS 55 HE2 HIS 55 -10.479 5.508 -0.017 369 H VAL 56 HN VAL 56 -5.764 10.604 2.093 370 HA VAL 56 HA VAL 56 -4.249 9.052 3.888 371 HB VAL 56 HB VAL 56 -5.966 11.439 4.606 372 1HG1 VAL 56 HG11 VAL 56 -3.892 9.873 6.018 373 2HG1 VAL 56 HG12 VAL 56 -5.278 10.759 6.654 374 3HG1 VAL 56 HG13 VAL 56 -3.814 11.626 6.191 375 1HG2 VAL 56 HG21 VAL 56 -3.211 11.284 3.413 376 2HG2 VAL 56 HG22 VAL 56 -3.776 12.695 4.306 377 3HG2 VAL 56 HG23 VAL 56 -4.609 12.191 2.836 378 H GLY 57 HN GLY 57 -4.807 7.600 5.413 379 1HA GLY 57 HA2 GLY 57 -6.166 6.626 7.073 380 2HA GLY 57 HA1 GLY 57 -7.539 7.532 6.454 381 H ASP 58 HN ASP 58 -5.272 5.362 4.775 382 HA ASP 58 HA ASP 58 -7.580 3.730 3.943 383 1HB ASP 58 HB2 ASP 58 -5.515 4.970 2.427 384 2HB ASP 58 HB1 ASP 58 -5.271 3.230 2.319 385 H ALA 59 HN ALA 59 -7.676 1.718 4.762 386 HA ALA 59 HA ALA 59 -5.335 0.618 6.115 387 1HB ALA 59 HB1 ALA 59 -6.785 -0.853 7.220 388 2HB ALA 59 HB2 ALA 59 -8.041 -0.678 5.994 389 3HB ALA 59 HB3 ALA 59 -7.696 0.652 7.098 390 H ILE 60 HN ILE 60 -4.015 -0.805 5.183 391 HA ILE 60 HA ILE 60 -4.590 -1.896 2.587 392 HB ILE 60 HB ILE 60 -2.278 -2.592 4.403 393 1HG1 ILE 60 HG12 ILE 60 -1.920 -0.695 2.146 394 2HG1 ILE 60 HG11 ILE 60 -2.759 -0.076 3.564 395 1HG2 ILE 60 HG21 ILE 60 -2.829 -3.016 1.484 396 2HG2 ILE 60 HG22 ILE 60 -2.375 -4.201 2.709 397 3HG2 ILE 60 HG23 ILE 60 -1.188 -3.030 2.133 398 1HD1 ILE 60 HD11 ILE 60 -0.863 -0.698 4.961 399 2HD1 ILE 60 HD12 ILE 60 -0.377 0.391 3.662 400 3HD1 ILE 60 HD13 ILE 60 -0.026 -1.333 3.546 401 H LEU 61 HN LEU 61 -4.882 -4.038 2.002 402 HA LEU 61 HA LEU 61 -5.196 -6.021 4.132 403 1HB LEU 61 HB2 LEU 61 -7.322 -5.104 2.242 404 2HB LEU 61 HB1 LEU 61 -7.304 -6.778 2.763 405 HG LEU 61 HG LEU 61 -7.114 -4.779 4.930 406 1HD1 LEU 61 HD11 LEU 61 -8.808 -3.947 3.124 407 2HD1 LEU 61 HD12 LEU 61 -9.245 -3.935 4.832 408 3HD1 LEU 61 HD13 LEU 61 -9.829 -5.226 3.783 409 1HD2 LEU 61 HD21 LEU 61 -7.301 -7.309 5.135 410 2HD2 LEU 61 HD22 LEU 61 -8.984 -7.113 4.645 411 3HD2 LEU 61 HD23 LEU 61 -8.400 -6.342 6.120 412 H ALA 62 HN ALA 62 -5.370 -5.531 0.585 413 HA ALA 62 HA ALA 62 -3.812 -8.016 0.282 414 1HB ALA 62 HB1 ALA 62 -5.132 -8.005 -2.040 415 2HB ALA 62 HB2 ALA 62 -6.337 -7.205 -1.030 416 3HB ALA 62 HB3 ALA 62 -5.742 -8.807 -0.593 417 H VAL 63 HN VAL 63 -2.264 -8.089 -1.323 418 HA VAL 63 HA VAL 63 -1.763 -5.639 -2.868 419 HB VAL 63 HB VAL 63 0.433 -7.145 -1.438 420 1HG1 VAL 63 HG11 VAL 63 1.646 -4.946 -1.960 421 2HG1 VAL 63 HG12 VAL 63 0.337 -4.653 -3.106 422 3HG1 VAL 63 HG13 VAL 63 1.368 -6.072 -3.290 423 1HG2 VAL 63 HG21 VAL 63 0.519 -4.975 -0.053 424 2HG2 VAL 63 HG22 VAL 63 -0.719 -6.170 0.336 425 3HG2 VAL 63 HG23 VAL 63 -1.141 -4.735 -0.598 426 H ASN 64 HN ASN 64 -1.767 -6.208 -4.942 427 HA ASN 64 HA ASN 64 -1.562 -7.402 -6.864 428 1HB ASN 64 HB2 ASN 64 0.907 -7.157 -5.952 429 2HB ASN 64 HB1 ASN 64 0.779 -8.900 -5.746 430 1HD2 ASN 64 HD21 ASN 64 1.487 -6.412 -7.894 431 2HD2 ASN 64 HD22 ASN 64 1.508 -7.336 -9.354 432 H GLY 65 HN GLY 65 -3.307 -8.495 -4.866 433 1HA GLY 65 HA2 GLY 65 -4.691 -10.381 -4.987 434 2HA GLY 65 HA1 GLY 65 -3.429 -11.230 -5.859 435 H VAL 66 HN VAL 66 -1.533 -10.267 -3.573 436 HA VAL 66 HA VAL 66 -2.094 -12.568 -1.852 437 HB VAL 66 HB VAL 66 0.411 -10.882 -1.913 438 1HG1 VAL 66 HG11 VAL 66 -0.347 -12.583 0.017 439 2HG1 VAL 66 HG12 VAL 66 1.335 -12.340 -0.450 440 3HG1 VAL 66 HG13 VAL 66 0.436 -13.718 -1.083 441 1HG2 VAL 66 HG21 VAL 66 -0.026 -13.523 -3.298 442 2HG2 VAL 66 HG22 VAL 66 1.404 -12.494 -3.370 443 3HG2 VAL 66 HG23 VAL 66 -0.105 -11.962 -4.112 444 H ASN 67 HN ASN 67 -2.799 -12.357 0.174 445 HA ASN 67 HA ASN 67 -3.515 -9.822 1.225 446 1HB ASN 67 HB2 ASN 67 -4.144 -11.093 3.274 447 2HB ASN 67 HB1 ASN 67 -4.836 -11.766 1.804 448 1HD2 ASN 67 HD21 ASN 67 -2.602 -12.246 4.404 449 2HD2 ASN 67 HD22 ASN 67 -2.260 -13.907 4.078 450 H LEU 68 HN LEU 68 -2.594 -8.557 2.769 451 HA LEU 68 HA LEU 68 0.136 -9.293 3.596 452 1HB LEU 68 HB2 LEU 68 -0.610 -7.104 2.219 453 2HB LEU 68 HB1 LEU 68 -0.794 -6.492 3.851 454 HG LEU 68 HG LEU 68 1.588 -7.181 4.288 455 1HD1 LEU 68 HD11 LEU 68 2.295 -8.695 2.752 456 2HD1 LEU 68 HD12 LEU 68 2.846 -7.228 1.945 457 3HD1 LEU 68 HD13 LEU 68 1.337 -7.992 1.449 458 1HD2 LEU 68 HD21 LEU 68 2.364 -5.325 2.466 459 2HD2 LEU 68 HD22 LEU 68 1.619 -4.951 4.020 460 3HD2 LEU 68 HD23 LEU 68 0.631 -5.009 2.560 461 H ARG 69 HN ARG 69 -2.714 -9.701 4.878 462 HA ARG 69 HA ARG 69 -2.633 -8.245 7.325 463 1HB ARG 69 HB2 ARG 69 -4.683 -9.287 6.259 464 2HB ARG 69 HB1 ARG 69 -4.095 -10.838 6.841 465 1HG ARG 69 HG2 ARG 69 -4.040 -9.672 9.154 466 2HG ARG 69 HG1 ARG 69 -5.124 -8.504 8.397 467 1HD ARG 69 HD2 ARG 69 -6.557 -10.062 9.383 468 2HD ARG 69 HD1 ARG 69 -6.511 -10.532 7.686 469 HE ARG 69 HE ARG 69 -5.484 -12.494 8.280 470 1HH1 ARG 69 HH11 ARG 69 -5.396 -10.304 11.015 471 2HH1 ARG 69 HH12 ARG 69 -4.839 -11.513 12.122 472 1HH2 ARG 69 HH21 ARG 69 -4.745 -14.083 9.746 473 2HH2 ARG 69 HH22 ARG 69 -4.467 -13.658 11.402 474 H ASP 70 HN ASP 70 -1.341 -11.335 6.277 475 HA ASP 70 HA ASP 70 -0.456 -11.910 9.015 476 1HB ASP 70 HB2 ASP 70 -1.639 -13.590 7.281 477 2HB ASP 70 HB1 ASP 70 0.043 -13.875 6.844 478 H THR 71 HN THR 71 0.734 -10.075 6.717 479 HA THR 71 HA THR 71 3.479 -11.124 6.855 480 HB THR 71 HB THR 71 2.883 -8.851 5.051 481 HG1 THR 71 HG1 THR 71 1.902 -11.456 4.487 482 1HG2 THR 71 HG21 THR 71 4.222 -11.463 4.433 483 2HG2 THR 71 HG22 THR 71 5.062 -10.077 5.129 484 3HG2 THR 71 HG23 THR 71 4.316 -9.948 3.537 485 H LYS 72 HN LYS 72 5.019 -10.008 7.917 486 HA LYS 72 HA LYS 72 4.320 -7.930 9.695 487 1HB LYS 72 HB2 LYS 72 6.936 -9.125 8.822 488 2HB LYS 72 HB1 LYS 72 6.900 -7.735 9.896 489 1HG LYS 72 HG2 LYS 72 7.097 -9.659 11.256 490 2HG LYS 72 HG1 LYS 72 5.442 -9.074 11.433 491 1HD LYS 72 HD2 LYS 72 4.616 -10.777 9.957 492 2HD LYS 72 HD1 LYS 72 6.256 -11.281 9.543 493 1HE LYS 72 HE2 LYS 72 5.679 -12.878 11.093 494 2HE LYS 72 HE1 LYS 72 6.468 -11.680 12.118 495 1HZ LYS 72 HZ1 LYS 72 4.532 -11.125 13.114 496 2HZ LYS 72 HZ2 LYS 72 4.095 -12.697 12.670 497 3HZ LYS 72 HZ3 LYS 72 3.592 -11.383 11.731 498 H HIS 73 HN HIS 73 5.245 -5.750 9.786 499 HA HIS 73 HA HIS 73 4.735 -4.246 7.495 500 1HB HIS 73 HB2 HIS 73 4.945 -3.526 10.001 501 2HB HIS 73 HB1 HIS 73 6.629 -3.230 9.589 502 HD1 HIS 73 HD1 HIS 73 4.216 -2.467 6.892 503 HD2 HIS 73 HD2 HIS 73 6.028 -0.468 10.048 504 HE1 HIS 73 HE1 HIS 73 3.835 -0.023 6.449 505 HE2 HIS 73 HE2 HIS 73 4.932 1.168 8.376 506 H LYS 74 HN LYS 74 7.894 -5.162 8.882 507 HA LYS 74 HA LYS 74 9.481 -3.951 6.895 508 1HB LYS 74 HB2 LYS 74 10.107 -5.028 9.219 509 2HB LYS 74 HB1 LYS 74 10.369 -6.470 8.249 510 1HG LYS 74 HG2 LYS 74 11.956 -5.193 6.847 511 2HG LYS 74 HG1 LYS 74 11.746 -3.811 7.925 512 1HD LYS 74 HD2 LYS 74 12.871 -4.822 9.661 513 2HD LYS 74 HD1 LYS 74 12.504 -6.451 9.093 514 1HE LYS 74 HE2 LYS 74 14.624 -6.464 8.367 515 2HE LYS 74 HE1 LYS 74 14.015 -5.474 7.042 516 1HZ LYS 74 HZ1 LYS 74 15.560 -4.669 9.406 517 2HZ LYS 74 HZ2 LYS 74 14.497 -3.549 8.714 518 3HZ LYS 74 HZ3 LYS 74 15.751 -4.209 7.789 519 H GLU 75 HN GLU 75 8.031 -7.162 7.131 520 HA GLU 75 HA GLU 75 9.279 -8.300 4.869 521 1HB GLU 75 HB2 GLU 75 7.965 -9.464 6.744 522 2HB GLU 75 HB1 GLU 75 6.521 -9.023 5.845 523 1HG GLU 75 HG2 GLU 75 6.962 -11.192 5.159 524 2HG GLU 75 HG1 GLU 75 7.620 -10.200 3.860 525 H ALA 76 HN ALA 76 6.322 -6.417 5.287 526 HA ALA 76 HA ALA 76 5.254 -6.770 2.704 527 1HB ALA 76 HB1 ALA 76 4.089 -4.543 3.246 528 2HB ALA 76 HB2 ALA 76 4.874 -4.680 4.819 529 3HB ALA 76 HB3 ALA 76 3.757 -5.933 4.278 530 H VAL 77 HN VAL 77 7.618 -4.491 3.985 531 HA VAL 77 HA VAL 77 7.675 -2.694 1.819 532 HB VAL 77 HB VAL 77 10.030 -3.421 3.572 533 1HG1 VAL 77 HG11 VAL 77 10.913 -2.050 1.956 534 2HG1 VAL 77 HG12 VAL 77 10.389 -0.854 3.141 535 3HG1 VAL 77 HG13 VAL 77 9.401 -1.174 1.717 536 1HG2 VAL 77 HG21 VAL 77 9.068 -1.198 4.722 537 2HG2 VAL 77 HG22 VAL 77 8.610 -2.821 5.235 538 3HG2 VAL 77 HG23 VAL 77 7.556 -1.907 4.156 539 H THR 78 HN THR 78 9.374 -5.730 2.418 540 HA THR 78 HA THR 78 11.122 -5.602 0.204 541 HB THR 78 HB THR 78 10.022 -8.057 1.594 542 HG1 THR 78 HG1 THR 78 11.050 -7.087 3.185 543 1HG2 THR 78 HG21 THR 78 12.754 -8.232 0.711 544 2HG2 THR 78 HG22 THR 78 11.667 -7.928 -0.644 545 3HG2 THR 78 HG23 THR 78 11.397 -9.317 0.408 546 H ILE 79 HN ILE 79 7.956 -7.182 0.637 547 HA ILE 79 HA ILE 79 7.763 -8.247 -1.965 548 HB ILE 79 HB ILE 79 5.457 -7.393 -0.205 549 1HG1 ILE 79 HG12 ILE 79 6.350 -10.228 -0.324 550 2HG1 ILE 79 HG11 ILE 79 7.352 -9.119 0.606 551 1HG2 ILE 79 HG21 ILE 79 5.617 -9.404 -2.450 552 2HG2 ILE 79 HG22 ILE 79 4.794 -7.846 -2.496 553 3HG2 ILE 79 HG23 ILE 79 4.207 -9.121 -1.429 554 1HD1 ILE 79 HD11 ILE 79 5.940 -9.826 2.233 555 2HD1 ILE 79 HD12 ILE 79 4.596 -10.074 1.118 556 3HD1 ILE 79 HD13 ILE 79 5.021 -8.443 1.639 557 H LEU 80 HN LEU 80 6.691 -5.155 -0.598 558 HA LEU 80 HA LEU 80 5.297 -4.171 -2.805 559 1HB LEU 80 HB2 LEU 80 6.784 -2.867 -0.555 560 2HB LEU 80 HB1 LEU 80 6.129 -1.888 -1.853 561 HG LEU 80 HG LEU 80 4.331 -3.812 -0.439 562 1HD1 LEU 80 HD11 LEU 80 4.941 -2.829 1.504 563 2HD1 LEU 80 HD12 LEU 80 3.830 -1.579 0.943 564 3HD1 LEU 80 HD13 LEU 80 5.567 -1.385 0.709 565 1HD2 LEU 80 HD21 LEU 80 2.625 -2.347 -1.133 566 2HD2 LEU 80 HD22 LEU 80 3.715 -2.476 -2.513 567 3HD2 LEU 80 HD23 LEU 80 3.767 -1.048 -1.479 568 H SER 81 HN SER 81 8.761 -4.092 -2.061 569 HA SER 81 HA SER 81 9.508 -2.420 -4.224 570 1HB SER 81 HB2 SER 81 10.835 -3.404 -2.061 571 2HB SER 81 HB1 SER 81 11.492 -4.424 -3.341 572 HG SER 81 HG SER 81 12.288 -2.048 -2.767 573 H GLN 82 HN GLN 82 8.987 -5.883 -3.931 574 HA GLN 82 HA GLN 82 10.214 -6.670 -6.357 575 1HB GLN 82 HB2 GLN 82 7.890 -8.030 -4.980 576 2HB GLN 82 HB1 GLN 82 9.024 -8.759 -6.108 577 1HG GLN 82 HG2 GLN 82 10.402 -7.581 -3.863 578 2HG GLN 82 HG1 GLN 82 9.185 -8.740 -3.335 579 1HE2 GLN 82 HE21 GLN 82 12.331 -8.436 -4.137 580 2HE2 GLN 82 HE22 GLN 82 12.670 -10.049 -4.652 581 H GLN 83 HN GLN 83 7.099 -5.268 -5.638 582 HA GLN 83 HA GLN 83 5.685 -6.018 -7.942 583 1HB GLN 83 HB2 GLN 83 5.371 -3.386 -6.495 584 2HB GLN 83 HB1 GLN 83 4.156 -4.253 -7.422 585 1HG GLN 83 HG2 GLN 83 5.317 -5.033 -4.760 586 2HG GLN 83 HG1 GLN 83 3.670 -4.508 -5.101 587 1HE2 GLN 83 HE21 GLN 83 5.492 -7.127 -4.430 588 2HE2 GLN 83 HE22 GLN 83 4.532 -8.359 -5.168 589 H ARG 84 HN ARG 84 6.242 -5.663 -9.983 590 HA ARG 84 HA ARG 84 7.532 -3.103 -10.680 591 1HB ARG 84 HB2 ARG 84 8.904 -5.259 -10.869 592 2HB ARG 84 HB1 ARG 84 7.860 -5.668 -12.223 593 1HG ARG 84 HG2 ARG 84 8.559 -3.306 -13.101 594 2HG ARG 84 HG1 ARG 84 9.917 -3.518 -11.994 595 1HD ARG 84 HD2 ARG 84 10.904 -5.030 -13.320 596 2HD ARG 84 HD1 ARG 84 9.388 -5.872 -13.640 597 HE ARG 84 HE ARG 84 10.645 -3.880 -15.279 598 1HH1 ARG 84 HH11 ARG 84 7.573 -5.333 -14.436 599 2HH1 ARG 84 HH12 ARG 84 6.832 -4.951 -15.953 600 1HH2 ARG 84 HH21 ARG 84 9.664 -3.375 -17.282 601 2HH2 ARG 84 HH22 ARG 84 8.021 -3.838 -17.570 602 H GLY 85 HN GLY 85 6.864 -2.031 -12.533 603 1HA GLY 85 HA2 GLY 85 5.468 -1.407 -14.246 604 2HA GLY 85 HA1 GLY 85 5.098 -3.112 -14.463 605 H GLU 86 HN GLU 86 3.151 -3.858 -13.858 606 HA GLU 86 HA GLU 86 1.239 -1.928 -12.828 607 1HB GLU 86 HB2 GLU 86 0.769 -3.495 -14.778 608 2HB GLU 86 HB1 GLU 86 0.685 -4.795 -13.596 609 1HG GLU 86 HG2 GLU 86 -1.206 -3.845 -12.543 610 2HG GLU 86 HG1 GLU 86 -1.017 -2.327 -13.416 611 H ILE 87 HN ILE 87 0.741 -1.778 -10.754 612 HA ILE 87 HA ILE 87 1.182 -4.123 -9.023 613 HB ILE 87 HB ILE 87 1.418 -1.266 -8.087 614 1HG1 ILE 87 HG12 ILE 87 3.653 -3.122 -8.950 615 2HG1 ILE 87 HG11 ILE 87 3.120 -1.693 -9.829 616 1HG2 ILE 87 HG21 ILE 87 1.743 -3.943 -6.887 617 2HG2 ILE 87 HG22 ILE 87 1.227 -2.423 -6.156 618 3HG2 ILE 87 HG23 ILE 87 2.941 -2.733 -6.429 619 1HD1 ILE 87 HD11 ILE 87 3.782 -0.300 -7.919 620 2HD1 ILE 87 HD12 ILE 87 5.131 -1.214 -8.595 621 3HD1 ILE 87 HD13 ILE 87 4.371 -1.743 -7.094 622 H GLU 88 HN GLU 88 -0.566 -4.841 -7.996 623 HA GLU 88 HA GLU 88 -3.003 -3.234 -8.057 624 1HB GLU 88 HB2 GLU 88 -2.699 -5.795 -8.681 625 2HB GLU 88 HB1 GLU 88 -2.943 -6.007 -6.953 626 1HG GLU 88 HG2 GLU 88 -4.963 -4.276 -7.681 627 2HG GLU 88 HG1 GLU 88 -4.855 -5.390 -9.042 628 H PHE 89 HN PHE 89 -3.809 -2.233 -6.328 629 HA PHE 89 HA PHE 89 -2.764 -2.962 -3.668 630 1HB PHE 89 HB2 PHE 89 -2.731 -0.426 -5.058 631 2HB PHE 89 HB1 PHE 89 -3.644 -0.292 -3.559 632 HD1 PHE 89 HD1 PHE 89 -2.532 -1.010 -1.405 633 HD2 PHE 89 HD2 PHE 89 -0.393 -0.471 -5.045 634 HE1 PHE 89 HE1 PHE 89 -0.433 -0.816 -0.139 635 HE2 PHE 89 HE2 PHE 89 1.711 -0.277 -3.784 636 HZ PHE 89 HZ PHE 89 1.692 -0.449 -1.327 637 H GLU 90 HN GLU 90 -4.235 -3.450 -2.153 638 HA GLU 90 HA GLU 90 -7.046 -2.726 -2.670 639 1HB GLU 90 HB2 GLU 90 -6.332 -5.212 -2.862 640 2HB GLU 90 HB1 GLU 90 -6.240 -5.166 -1.108 641 1HG GLU 90 HG2 GLU 90 -8.547 -4.715 -0.899 642 2HG GLU 90 HG1 GLU 90 -8.706 -4.357 -2.618 643 H VAL 91 HN VAL 91 -7.727 -1.268 -1.261 644 HA VAL 91 HA VAL 91 -7.015 -1.552 1.567 645 HB VAL 91 HB VAL 91 -6.753 0.974 1.691 646 1HG1 VAL 91 HG11 VAL 91 -4.723 0.046 2.030 647 2HG1 VAL 91 HG12 VAL 91 -4.384 0.731 0.440 648 3HG1 VAL 91 HG13 VAL 91 -4.823 -0.970 0.593 649 1HG2 VAL 91 HG21 VAL 91 -6.336 0.691 -1.284 650 2HG2 VAL 91 HG22 VAL 91 -6.112 2.154 -0.326 651 3HG2 VAL 91 HG23 VAL 91 -7.723 1.466 -0.519 652 H VAL 92 HN VAL 92 -8.350 0.034 2.936 653 HA VAL 92 HA VAL 92 -11.014 0.481 1.763 654 HB VAL 92 HB VAL 92 -10.570 -0.651 4.535 655 1HG1 VAL 92 HG11 VAL 92 -12.614 0.337 4.727 656 2HG1 VAL 92 HG12 VAL 92 -13.114 -1.202 4.028 657 3HG1 VAL 92 HG13 VAL 92 -12.959 0.223 3.001 658 1HG2 VAL 92 HG21 VAL 92 -9.987 -2.208 2.624 659 2HG2 VAL 92 HG22 VAL 92 -11.692 -2.144 2.178 660 3HG2 VAL 92 HG23 VAL 92 -11.216 -2.781 3.751 661 H TYR 93 HN TYR 93 -12.044 2.334 2.407 662 HA TYR 93 HA TYR 93 -10.507 4.430 3.530 663 1HB TYR 93 HB2 TYR 93 -12.759 4.340 2.005 664 2HB TYR 93 HB1 TYR 93 -13.457 4.719 3.574 665 HD1 TYR 93 HD1 TYR 93 -11.275 6.445 4.696 666 HD2 TYR 93 HD2 TYR 93 -13.041 6.351 0.823 667 HE1 TYR 93 HE1 TYR 93 -10.704 8.814 4.385 668 HE2 TYR 93 HE2 TYR 93 -12.475 8.721 0.504 669 HH TYR 93 HH TYR 93 -11.853 10.791 2.727 670 H VAL 94 HN VAL 94 -10.049 4.803 5.604 671 HA VAL 94 HA VAL 94 -11.989 3.953 7.655 672 HB VAL 94 HB VAL 94 -8.990 3.866 7.992 673 1HG1 VAL 94 HG11 VAL 94 -11.308 3.331 9.761 674 2HG1 VAL 94 HG12 VAL 94 -9.714 3.985 10.139 675 3HG1 VAL 94 HG13 VAL 94 -9.920 2.251 9.895 676 1HG2 VAL 94 HG21 VAL 94 -9.481 1.322 8.030 677 2HG2 VAL 94 HG22 VAL 94 -9.334 2.149 6.480 678 3HG2 VAL 94 HG23 VAL 94 -10.930 1.757 7.123 679 H ALA 95 HN ALA 95 -12.846 5.766 8.398 680 HA ALA 95 HA ALA 95 -13.070 7.748 9.475 681 1HB ALA 95 HB1 ALA 95 -11.450 8.448 10.957 682 2HB ALA 95 HB2 ALA 95 -10.124 8.018 9.878 683 3HB ALA 95 HB3 ALA 95 -11.005 6.755 10.737 Start of MODEL 18 1 HT1 PRO 9 HT2 PRO 9 -17.098 -2.633 2.863 2 HT2 PRO 9 HT1 PRO 9 -15.784 -1.868 3.492 3 HA PRO 9 HA PRO 9 -17.060 -1.610 1.051 4 1HB PRO 9 HB2 PRO 9 -16.051 0.996 1.520 5 2HB PRO 9 HB1 PRO 9 -17.725 0.532 1.190 6 1HG PRO 9 HG2 PRO 9 -16.372 1.018 3.790 7 2HG PRO 9 HG1 PRO 9 -18.063 1.287 3.331 8 1HD PRO 9 HD2 PRO 9 -17.387 -0.760 4.905 9 2HD PRO 9 HD1 PRO 9 -18.638 -0.951 3.661 10 H ILE 10 HN ILE 10 -15.456 -2.338 -0.193 11 HA ILE 10 HA ILE 10 -12.683 -1.968 0.670 12 HB ILE 10 HB ILE 10 -13.776 -3.731 -1.529 13 1HG1 ILE 10 HG12 ILE 10 -12.821 -5.436 0.327 14 2HG1 ILE 10 HG11 ILE 10 -13.341 -4.122 1.377 15 1HG2 ILE 10 HG21 ILE 10 -11.038 -3.119 -0.571 16 2HG2 ILE 10 HG22 ILE 10 -11.611 -3.518 -2.189 17 3HG2 ILE 10 HG23 ILE 10 -11.397 -4.793 -0.991 18 1HD1 ILE 10 HD11 ILE 10 -15.420 -4.591 -0.474 19 2HD1 ILE 10 HD12 ILE 10 -15.411 -4.885 1.264 20 3HD1 ILE 10 HD13 ILE 10 -14.900 -6.155 0.153 21 H ARG 11 HN ARG 11 -11.164 -0.908 -0.502 22 HA ARG 11 HA ARG 11 -12.125 0.610 -2.839 23 1HB ARG 11 HB2 ARG 11 -10.388 1.302 -0.540 24 2HB ARG 11 HB1 ARG 11 -9.886 1.938 -2.099 25 1HG ARG 11 HG2 ARG 11 -11.265 3.530 -0.876 26 2HG ARG 11 HG1 ARG 11 -12.039 3.024 -2.377 27 1HD ARG 11 HD2 ARG 11 -13.421 1.435 -1.115 28 2HD ARG 11 HD1 ARG 11 -12.658 1.969 0.382 29 HE ARG 11 HE ARG 11 -14.021 3.802 0.371 30 1HH1 ARG 11 HH11 ARG 11 -14.010 2.417 -2.846 31 2HH1 ARG 11 HH12 ARG 11 -15.267 3.453 -3.432 32 1HH2 ARG 11 HH21 ARG 11 -15.677 5.171 -0.408 33 2HH2 ARG 11 HH22 ARG 11 -16.215 5.018 -2.047 34 H LYS 12 HN LYS 12 -11.392 -0.122 -4.717 35 HA LYS 12 HA LYS 12 -8.871 -1.613 -4.815 36 1HB LYS 12 HB2 LYS 12 -11.295 -1.459 -6.558 37 2HB LYS 12 HB1 LYS 12 -9.765 -1.910 -7.293 38 1HG LYS 12 HG2 LYS 12 -10.926 -3.905 -6.719 39 2HG LYS 12 HG1 LYS 12 -9.564 -3.735 -5.611 40 1HD LYS 12 HD2 LYS 12 -11.450 -4.417 -4.324 41 2HD LYS 12 HD1 LYS 12 -11.157 -2.717 -3.959 42 1HE LYS 12 HE2 LYS 12 -12.972 -2.024 -5.333 43 2HE LYS 12 HE1 LYS 12 -13.153 -3.638 -6.016 44 1HZ LYS 12 HZ1 LYS 12 -14.820 -3.612 -4.470 45 2HZ LYS 12 HZ2 LYS 12 -13.973 -2.633 -3.383 46 3HZ LYS 12 HZ3 LYS 12 -13.571 -4.270 -3.536 47 H VAL 13 HN VAL 13 -7.104 -0.417 -5.195 48 HA VAL 13 HA VAL 13 -7.259 1.672 -7.268 49 HB VAL 13 HB VAL 13 -5.575 1.912 -4.770 50 1HG1 VAL 13 HG11 VAL 13 -5.189 3.136 -7.134 51 2HG1 VAL 13 HG12 VAL 13 -4.795 3.869 -5.580 52 3HG1 VAL 13 HG13 VAL 13 -6.313 4.269 -6.382 53 1HG2 VAL 13 HG21 VAL 13 -8.392 2.416 -5.125 54 2HG2 VAL 13 HG22 VAL 13 -7.531 3.907 -4.746 55 3HG2 VAL 13 HG23 VAL 13 -7.408 2.520 -3.666 56 H LEU 14 HN LEU 14 -5.693 1.617 -8.781 57 HA LEU 14 HA LEU 14 -3.595 -0.417 -8.492 58 1HB LEU 14 HB2 LEU 14 -4.994 0.824 -10.818 59 2HB LEU 14 HB1 LEU 14 -3.361 0.227 -11.049 60 HG LEU 14 HG LEU 14 -5.276 -1.634 -9.759 61 1HD1 LEU 14 HD11 LEU 14 -5.362 -1.237 -12.735 62 2HD1 LEU 14 HD12 LEU 14 -6.515 -0.465 -11.647 63 3HD1 LEU 14 HD13 LEU 14 -6.417 -2.224 -11.724 64 1HD2 LEU 14 HD21 LEU 14 -3.102 -1.879 -11.834 65 2HD2 LEU 14 HD22 LEU 14 -4.082 -3.226 -11.253 66 3HD2 LEU 14 HD23 LEU 14 -3.024 -2.362 -10.139 67 H LEU 15 HN LEU 15 -1.468 0.082 -8.483 68 HA LEU 15 HA LEU 15 -0.739 2.918 -8.841 69 1HB LEU 15 HB2 LEU 15 -0.204 1.042 -6.671 70 2HB LEU 15 HB1 LEU 15 1.259 1.790 -7.285 71 HG LEU 15 HG LEU 15 0.157 4.029 -6.934 72 1HD1 LEU 15 HD11 LEU 15 -2.163 2.796 -6.785 73 2HD1 LEU 15 HD12 LEU 15 -1.854 4.274 -5.874 74 3HD1 LEU 15 HD13 LEU 15 -1.750 2.706 -5.073 75 1HD2 LEU 15 HD21 LEU 15 1.055 4.166 -4.862 76 2HD2 LEU 15 HD22 LEU 15 1.647 2.554 -5.264 77 3HD2 LEU 15 HD23 LEU 15 0.199 2.740 -4.276 78 H LEU 16 HN LEU 16 0.524 3.279 -10.531 79 HA LEU 16 HA LEU 16 2.214 1.085 -11.540 80 1HB LEU 16 HB2 LEU 16 0.325 2.703 -12.848 81 2HB LEU 16 HB1 LEU 16 1.888 3.280 -13.391 82 HG LEU 16 HG LEU 16 1.063 1.630 -14.939 83 1HD1 LEU 16 HD11 LEU 16 3.373 0.770 -13.231 84 2HD1 LEU 16 HD12 LEU 16 3.393 1.542 -14.816 85 3HD1 LEU 16 HD13 LEU 16 2.887 -0.139 -14.662 86 1HD2 LEU 16 HD21 LEU 16 -0.473 0.421 -13.552 87 2HD2 LEU 16 HD22 LEU 16 0.840 -0.172 -12.534 88 3HD2 LEU 16 HD23 LEU 16 0.705 -0.717 -14.207 89 H LYS 17 HN LYS 17 4.350 1.321 -11.361 90 HA LYS 17 HA LYS 17 5.492 4.023 -11.334 91 1HB LYS 17 HB2 LYS 17 7.038 3.320 -9.496 92 2HB LYS 17 HB1 LYS 17 5.355 3.471 -9.009 93 1HG LYS 17 HG2 LYS 17 5.255 1.347 -8.371 94 2HG LYS 17 HG1 LYS 17 5.983 0.780 -9.875 95 1HD LYS 17 HD2 LYS 17 8.078 0.733 -9.000 96 2HD LYS 17 HD1 LYS 17 7.786 2.121 -7.951 97 1HE LYS 17 HE2 LYS 17 6.127 0.329 -6.822 98 2HE LYS 17 HE1 LYS 17 7.356 -0.761 -7.461 99 1HZ LYS 17 HZ1 LYS 17 8.161 1.608 -5.906 100 2HZ LYS 17 HZ2 LYS 17 8.976 0.141 -6.118 101 3HZ LYS 17 HZ3 LYS 17 7.626 0.217 -5.103 102 H GLU 18 HN GLU 18 7.596 4.198 -12.119 103 HA GLU 18 HA GLU 18 8.491 1.893 -13.697 104 1HB GLU 18 HB2 GLU 18 8.637 4.828 -14.014 105 2HB GLU 18 HB1 GLU 18 10.061 3.938 -14.537 106 1HG GLU 18 HG2 GLU 18 7.465 2.881 -15.444 107 2HG GLU 18 HG1 GLU 18 7.954 4.437 -16.113 108 H ASP 19 HN ASP 19 10.941 1.768 -14.000 109 HA ASP 19 HA ASP 19 12.145 1.200 -11.530 110 1HB ASP 19 HB2 ASP 19 12.736 0.639 -14.158 111 2HB ASP 19 HB1 ASP 19 14.039 1.735 -13.707 112 H HIS 20 HN HIS 20 12.343 4.041 -13.613 113 HA HIS 20 HA HIS 20 14.398 5.317 -12.094 114 1HB HIS 20 HB2 HIS 20 13.806 7.336 -13.420 115 2HB HIS 20 HB1 HIS 20 14.119 5.921 -14.415 116 HD1 HIS 20 HD1 HIS 20 11.376 8.236 -13.356 117 HD2 HIS 20 HD2 HIS 20 11.939 4.997 -15.897 118 HE1 HIS 20 HE1 HIS 20 9.321 8.150 -14.801 119 HE2 HIS 20 HE2 HIS 20 9.603 6.067 -16.190 120 H GLU 21 HN GLU 21 10.909 5.185 -11.888 121 HA GLU 21 HA GLU 21 10.729 7.413 -10.043 122 1HB GLU 21 HB2 GLU 21 8.635 5.406 -10.906 123 2HB GLU 21 HB1 GLU 21 8.331 6.843 -9.943 124 1HG GLU 21 HG2 GLU 21 9.598 7.873 -12.135 125 2HG GLU 21 HG1 GLU 21 8.668 6.545 -12.823 126 H GLY 22 HN GLY 22 9.233 6.887 -8.017 127 1HA GLY 22 HA2 GLY 22 10.374 4.507 -6.680 128 2HA GLY 22 HA1 GLY 22 10.247 6.063 -5.877 129 H LEU 23 HN LEU 23 9.020 5.069 -4.204 130 HA LEU 23 HA LEU 23 6.560 3.718 -4.718 131 1HB LEU 23 HB2 LEU 23 8.178 4.345 -2.429 132 2HB LEU 23 HB1 LEU 23 6.515 4.782 -2.092 133 HG LEU 23 HG LEU 23 7.513 2.053 -2.915 134 1HD1 LEU 23 HD11 LEU 23 8.053 2.234 -0.681 135 2HD1 LEU 23 HD12 LEU 23 6.423 1.564 -0.604 136 3HD1 LEU 23 HD13 LEU 23 6.682 3.286 -0.325 137 1HD2 LEU 23 HD21 LEU 23 4.739 3.128 -2.494 138 2HD2 LEU 23 HD22 LEU 23 5.117 1.410 -2.366 139 3HD2 LEU 23 HD23 LEU 23 5.380 2.260 -3.888 140 H GLY 24 HN GLY 24 7.054 6.815 -2.994 141 1HA GLY 24 HA2 GLY 24 5.970 8.853 -3.469 142 2HA GLY 24 HA1 GLY 24 4.850 7.996 -4.509 143 H ILE 25 HN ILE 25 5.099 6.302 -1.626 144 HA ILE 25 HA ILE 25 3.070 7.883 -0.235 145 HB ILE 25 HB ILE 25 1.669 5.857 0.141 146 1HG1 ILE 25 HG12 ILE 25 2.108 4.196 -1.956 147 2HG1 ILE 25 HG11 ILE 25 3.762 4.673 -1.585 148 1HG2 ILE 25 HG21 ILE 25 1.479 7.658 -1.797 149 2HG2 ILE 25 HG22 ILE 25 0.356 6.307 -1.654 150 3HG2 ILE 25 HG23 ILE 25 1.694 6.222 -2.798 151 1HD1 ILE 25 HD11 ILE 25 2.688 2.577 -0.465 152 2HD1 ILE 25 HD12 ILE 25 1.990 3.773 0.628 153 3HD1 ILE 25 HD13 ILE 25 3.741 3.648 0.460 154 H SER 26 HN SER 26 2.866 7.413 1.992 155 HA SER 26 HA SER 26 4.991 5.682 3.085 156 1HB SER 26 HB2 SER 26 3.980 8.059 4.612 157 2HB SER 26 HB1 SER 26 5.541 7.245 4.718 158 HG SER 26 HG SER 26 5.819 9.198 3.663 159 H ILE 27 HN ILE 27 4.439 4.273 4.676 160 HA ILE 27 HA ILE 27 1.660 4.366 5.663 161 HB ILE 27 HB ILE 27 1.668 1.895 5.716 162 1HG1 ILE 27 HG12 ILE 27 4.153 2.020 4.006 163 2HG1 ILE 27 HG11 ILE 27 4.223 1.760 5.745 164 1HG2 ILE 27 HG21 ILE 27 2.293 2.463 2.888 165 2HG2 ILE 27 HG22 ILE 27 1.080 3.496 3.643 166 3HG2 ILE 27 HG23 ILE 27 0.855 1.748 3.614 167 1HD1 ILE 27 HD11 ILE 27 4.090 -0.404 5.269 168 2HD1 ILE 27 HD12 ILE 27 3.590 -0.090 3.607 169 3HD1 ILE 27 HD13 ILE 27 2.391 -0.110 4.900 170 H THR 28 HN THR 28 1.288 3.329 7.737 171 HA THR 28 HA THR 28 3.652 2.928 9.407 172 HB THR 28 HB THR 28 3.187 5.261 9.755 173 HG1 THR 28 HG1 THR 28 2.896 5.232 11.941 174 1HG2 THR 28 HG21 THR 28 0.730 5.448 11.006 175 2HG2 THR 28 HG22 THR 28 0.417 4.470 9.573 176 3HG2 THR 28 HG23 THR 28 1.156 6.062 9.409 177 H GLY 29 HN GLY 29 3.323 1.632 11.223 178 1HA GLY 29 HA2 GLY 29 1.560 0.654 12.733 179 2HA GLY 29 HA1 GLY 29 0.735 0.204 11.247 180 H GLY 30 HN GLY 30 0.814 -1.999 12.082 181 1HA GLY 30 HA2 GLY 30 2.655 -3.628 10.872 182 2HA GLY 30 HA1 GLY 30 3.346 -3.301 12.451 183 H LYS 31 HN LYS 31 1.592 -5.477 10.774 184 HA LYS 31 HA LYS 31 -0.557 -6.208 12.377 185 1HB LYS 31 HB2 LYS 31 -0.053 -7.160 10.140 186 2HB LYS 31 HB1 LYS 31 1.274 -8.066 10.851 187 1HG LYS 31 HG2 LYS 31 -0.520 -9.572 10.647 188 2HG LYS 31 HG1 LYS 31 -0.427 -9.155 12.358 189 1HD LYS 31 HD2 LYS 31 -2.198 -7.400 11.877 190 2HD LYS 31 HD1 LYS 31 -2.399 -8.178 10.306 191 1HE LYS 31 HE2 LYS 31 -2.761 -10.338 11.589 192 2HE LYS 31 HE1 LYS 31 -2.888 -9.342 13.037 193 1HZ LYS 31 HZ1 LYS 31 -4.549 -8.570 10.767 194 2HZ LYS 31 HZ2 LYS 31 -4.898 -8.549 12.423 195 3HZ LYS 31 HZ3 LYS 31 -4.975 -10.003 11.562 196 H GLU 32 HN GLU 32 2.878 -6.887 12.781 197 HA GLU 32 HA GLU 32 2.744 -8.901 14.708 198 1HB GLU 32 HB2 GLU 32 4.823 -8.234 13.590 199 2HB GLU 32 HB1 GLU 32 4.794 -6.695 14.437 200 1HG GLU 32 HG2 GLU 32 4.628 -8.864 16.313 201 2HG GLU 32 HG1 GLU 32 6.017 -9.072 15.248 202 H HIS 33 HN HIS 33 2.282 -5.437 15.008 203 HA HIS 33 HA HIS 33 2.402 -5.405 17.882 204 1HB HIS 33 HB2 HIS 33 1.363 -3.361 15.907 205 2HB HIS 33 HB1 HIS 33 1.494 -3.093 17.640 206 HD1 HIS 33 HD1 HIS 33 4.417 -4.900 17.080 207 HD2 HIS 33 HD2 HIS 33 3.224 -1.060 16.016 208 HE1 HIS 33 HE1 HIS 33 6.542 -3.628 16.654 209 HE2 HIS 33 HE2 HIS 33 5.796 -1.323 15.962 210 H GLY 34 HN GLY 34 -0.086 -5.835 15.454 211 1HA GLY 34 HA2 GLY 34 -1.987 -7.197 16.490 212 2HA GLY 34 HA1 GLY 34 -2.145 -5.816 17.564 213 H VAL 35 HN VAL 35 -1.527 -3.896 15.387 214 HA VAL 35 HA VAL 35 -4.144 -4.002 14.044 215 HB VAL 35 HB VAL 35 -3.833 -1.515 13.739 216 1HG1 VAL 35 HG11 VAL 35 -4.245 -1.074 16.263 217 2HG1 VAL 35 HG12 VAL 35 -4.184 -2.831 16.401 218 3HG1 VAL 35 HG13 VAL 35 -5.387 -2.068 15.360 219 1HG2 VAL 35 HG21 VAL 35 -1.896 -1.529 15.992 220 2HG2 VAL 35 HG22 VAL 35 -2.130 -0.344 14.708 221 3HG2 VAL 35 HG23 VAL 35 -1.277 -1.851 14.373 222 HA PRO 36 HA PRO 36 -2.119 -4.519 10.129 223 1HB PRO 36 HB2 PRO 36 -4.413 -3.012 9.014 224 2HB PRO 36 HB1 PRO 36 -3.849 -4.643 8.638 225 1HG PRO 36 HG2 PRO 36 -6.078 -4.252 10.056 226 2HG PRO 36 HG1 PRO 36 -4.974 -5.589 10.429 227 1HD PRO 36 HD2 PRO 36 -5.302 -2.956 11.817 228 2HD PRO 36 HD1 PRO 36 -5.054 -4.574 12.510 229 H ILE 37 HN ILE 37 -1.099 -3.291 8.459 230 HA ILE 37 HA ILE 37 -0.361 -0.627 9.307 231 HB ILE 37 HB ILE 37 0.534 -2.046 6.793 232 1HG1 ILE 37 HG12 ILE 37 2.617 -2.320 8.524 233 2HG1 ILE 37 HG11 ILE 37 1.255 -2.493 9.624 234 1HG2 ILE 37 HG21 ILE 37 2.521 -0.593 7.050 235 2HG2 ILE 37 HG22 ILE 37 1.728 0.202 8.409 236 3HG2 ILE 37 HG23 ILE 37 1.030 0.310 6.793 237 1HD1 ILE 37 HD11 ILE 37 2.390 -4.465 8.051 238 2HD1 ILE 37 HD12 ILE 37 0.882 -4.062 7.231 239 3HD1 ILE 37 HD13 ILE 37 0.861 -4.556 8.924 240 H LEU 38 HN LEU 38 -0.918 1.288 8.361 241 HA LEU 38 HA LEU 38 -2.563 1.194 5.927 242 1HB LEU 38 HB2 LEU 38 -4.029 2.958 6.899 243 2HB LEU 38 HB1 LEU 38 -4.159 1.396 7.681 244 HG LEU 38 HG LEU 38 -2.371 2.492 9.325 245 1HD1 LEU 38 HD11 LEU 38 -3.977 4.925 8.965 246 2HD1 LEU 38 HD12 LEU 38 -2.776 4.625 7.710 247 3HD1 LEU 38 HD13 LEU 38 -2.278 4.734 9.397 248 1HD2 LEU 38 HD21 LEU 38 -4.809 1.631 9.645 249 2HD2 LEU 38 HD22 LEU 38 -5.212 3.348 9.666 250 3HD2 LEU 38 HD23 LEU 38 -4.085 2.692 10.854 251 H ILE 39 HN ILE 39 -2.794 3.323 4.855 252 HA ILE 39 HA ILE 39 -0.222 4.663 4.752 253 HB ILE 39 HB ILE 39 -2.682 5.287 3.111 254 1HG1 ILE 39 HG12 ILE 39 -0.415 3.526 2.198 255 2HG1 ILE 39 HG11 ILE 39 -1.814 2.850 3.026 256 1HG2 ILE 39 HG21 ILE 39 -1.389 6.637 1.839 257 2HG2 ILE 39 HG22 ILE 39 0.052 5.642 2.048 258 3HG2 ILE 39 HG23 ILE 39 -0.446 6.753 3.324 259 1HD1 ILE 39 HD11 ILE 39 -2.319 4.618 0.706 260 2HD1 ILE 39 HD12 ILE 39 -3.193 3.190 1.259 261 3HD1 ILE 39 HD13 ILE 39 -1.666 3.010 0.394 262 H SER 40 HN SER 40 0.243 6.586 5.622 263 HA SER 40 HA SER 40 -1.981 8.206 6.682 264 1HB SER 40 HB2 SER 40 0.804 7.808 7.784 265 2HB SER 40 HB1 SER 40 -0.320 9.032 8.379 266 HG SER 40 HG SER 40 -0.755 7.358 9.659 267 H GLU 41 HN GLU 41 1.213 8.319 5.117 268 HA GLU 41 HA GLU 41 0.687 11.140 4.442 269 1HB GLU 41 HB2 GLU 41 2.716 10.722 5.838 270 2HB GLU 41 HB1 GLU 41 3.375 9.762 4.522 271 1HG GLU 41 HG2 GLU 41 3.797 11.584 3.211 272 2HG GLU 41 HG1 GLU 41 2.510 12.543 3.937 273 H ILE 42 HN ILE 42 0.993 11.860 2.353 274 HA ILE 42 HA ILE 42 1.488 9.818 0.290 275 HB ILE 42 HB ILE 42 -0.609 11.979 0.033 276 1HG1 ILE 42 HG12 ILE 42 -1.129 9.040 0.508 277 2HG1 ILE 42 HG11 ILE 42 -1.125 10.229 1.806 278 1HG2 ILE 42 HG21 ILE 42 -1.064 11.172 -2.040 279 2HG2 ILE 42 HG22 ILE 42 -0.610 9.521 -1.621 280 3HG2 ILE 42 HG23 ILE 42 0.638 10.720 -1.956 281 1HD1 ILE 42 HD11 ILE 42 -3.340 9.501 0.586 282 2HD1 ILE 42 HD12 ILE 42 -2.844 10.757 -0.548 283 3HD1 ILE 42 HD13 ILE 42 -3.093 11.153 1.153 284 H HIS 43 HN HIS 43 2.857 10.449 -1.306 285 HA HIS 43 HA HIS 43 4.030 13.102 -1.098 286 1HB HIS 43 HB2 HIS 43 4.796 10.751 -2.843 287 2HB HIS 43 HB1 HIS 43 5.705 12.251 -2.699 288 HD1 HIS 43 HD1 HIS 43 7.530 12.212 -1.023 289 HD2 HIS 43 HD2 HIS 43 4.618 9.360 -0.211 290 HE1 HIS 43 HE1 HIS 43 8.379 10.931 0.969 291 HE2 HIS 43 HE2 HIS 43 6.618 9.182 1.417 292 HA PRO 44 HA PRO 44 1.245 14.540 -4.340 293 1HB PRO 44 HB2 PRO 44 2.909 16.974 -4.103 294 2HB PRO 44 HB1 PRO 44 1.160 16.786 -3.940 295 1HG PRO 44 HG2 PRO 44 2.705 17.232 -1.805 296 2HG PRO 44 HG1 PRO 44 1.300 16.152 -1.719 297 1HD PRO 44 HD2 PRO 44 4.209 15.466 -1.939 298 2HD PRO 44 HD1 PRO 44 2.943 14.708 -0.949 299 H GLY 45 HN GLY 45 1.432 14.566 -6.522 300 1HA GLY 45 HA2 GLY 45 2.503 15.034 -8.580 301 2HA GLY 45 HA1 GLY 45 4.041 15.110 -7.737 302 H GLN 46 HN GLN 46 3.536 12.564 -6.316 303 HA GLN 46 HA GLN 46 4.675 10.819 -8.256 304 1HB GLN 46 HB2 GLN 46 4.037 10.739 -5.381 305 2HB GLN 46 HB1 GLN 46 3.967 9.178 -6.188 306 1HG GLN 46 HG2 GLN 46 6.155 9.071 -5.803 307 2HG GLN 46 HG1 GLN 46 6.312 10.214 -7.136 308 1HE2 GLN 46 HE21 GLN 46 5.847 12.576 -6.336 309 2HE2 GLN 46 HE22 GLN 46 6.737 13.037 -4.929 310 HA PRO 47 HA PRO 47 1.402 8.486 -10.067 311 1HB PRO 47 HB2 PRO 47 1.660 5.963 -8.849 312 2HB PRO 47 HB1 PRO 47 2.414 6.487 -10.355 313 1HG PRO 47 HG2 PRO 47 3.548 6.358 -7.610 314 2HG PRO 47 HG1 PRO 47 4.346 6.107 -9.172 315 1HD PRO 47 HD2 PRO 47 4.712 8.352 -7.759 316 2HD PRO 47 HD1 PRO 47 4.626 8.381 -9.535 317 H ALA 48 HN ALA 48 1.689 8.176 -6.559 318 HA ALA 48 HA ALA 48 -0.862 7.136 -6.018 319 1HB ALA 48 HB1 ALA 48 0.651 7.064 -4.243 320 2HB ALA 48 HB2 ALA 48 -0.508 8.302 -3.759 321 3HB ALA 48 HB3 ALA 48 1.066 8.770 -4.401 322 H ASP 49 HN ASP 49 0.281 10.497 -6.218 323 HA ASP 49 HA ASP 49 -2.253 11.661 -5.634 324 1HB ASP 49 HB2 ASP 49 0.411 12.579 -6.113 325 2HB ASP 49 HB1 ASP 49 -0.676 13.466 -7.178 326 H ARG 50 HN ARG 50 -0.553 10.828 -8.618 327 HA ARG 50 HA ARG 50 -2.232 12.084 -10.464 328 1HB ARG 50 HB2 ARG 50 -0.383 9.744 -10.563 329 2HB ARG 50 HB1 ARG 50 -1.473 10.004 -11.917 330 1HG ARG 50 HG2 ARG 50 -0.516 12.085 -12.430 331 2HG ARG 50 HG1 ARG 50 0.323 12.172 -10.881 332 1HD ARG 50 HD2 ARG 50 1.986 10.762 -11.545 333 2HD ARG 50 HD1 ARG 50 0.939 9.866 -12.644 334 HE ARG 50 HE ARG 50 1.187 12.346 -13.778 335 1HH1 ARG 50 HH11 ARG 50 3.428 9.844 -12.788 336 2HH1 ARG 50 HH12 ARG 50 4.606 10.252 -13.989 337 1HH2 ARG 50 HH21 ARG 50 2.741 12.877 -15.361 338 2HH2 ARG 50 HH22 ARG 50 4.217 11.974 -15.449 339 H CYS 51 HN CYS 51 -2.621 9.033 -8.740 340 HA CYS 51 HA CYS 51 -4.768 8.046 -10.328 341 1HB CYS 51 HB2 CYS 51 -3.307 7.219 -7.966 342 2HB CYS 51 HB1 CYS 51 -5.034 6.945 -7.762 343 HG CYS 51 HG CYS 51 -4.302 4.828 -8.888 344 H GLY 52 HN GLY 52 -4.584 10.266 -7.625 345 1HA GLY 52 HA2 GLY 52 -6.182 11.594 -6.648 346 2HA GLY 52 HA1 GLY 52 -7.219 11.216 -8.013 347 H GLY 53 HN GLY 53 -6.076 8.482 -6.287 348 1HA GLY 53 HA2 GLY 53 -8.682 8.256 -4.908 349 2HA GLY 53 HA1 GLY 53 -7.843 6.893 -5.632 350 H LEU 54 HN LEU 54 -5.211 7.652 -4.672 351 HA LEU 54 HA LEU 54 -5.234 6.333 -2.185 352 1HB LEU 54 HB2 LEU 54 -3.321 6.910 -4.013 353 2HB LEU 54 HB1 LEU 54 -2.932 8.089 -2.776 354 HG LEU 54 HG LEU 54 -3.344 5.304 -1.852 355 1HD1 LEU 54 HD11 LEU 54 -1.109 6.146 -3.660 356 2HD1 LEU 54 HD12 LEU 54 -2.078 4.673 -3.697 357 3HD1 LEU 54 HD13 LEU 54 -0.868 4.901 -2.435 358 1HD2 LEU 54 HD21 LEU 54 -1.341 5.953 -0.482 359 2HD2 LEU 54 HD22 LEU 54 -2.778 6.943 -0.227 360 3HD2 LEU 54 HD23 LEU 54 -1.449 7.555 -1.213 361 H HIS 55 HN HIS 55 -6.414 7.247 -0.594 362 HA HIS 55 HA HIS 55 -5.818 10.034 0.141 363 1HB HIS 55 HB2 HIS 55 -8.004 9.984 1.342 364 2HB HIS 55 HB1 HIS 55 -8.159 9.735 -0.393 365 HD1 HIS 55 HD1 HIS 55 -7.834 7.501 2.685 366 HD2 HIS 55 HD2 HIS 55 -9.848 7.687 -0.945 367 HE1 HIS 55 HE1 HIS 55 -9.289 5.456 2.615 368 HE2 HIS 55 HE2 HIS 55 -10.499 5.589 0.411 369 H VAL 56 HN VAL 56 -5.705 10.558 2.413 370 HA VAL 56 HA VAL 56 -4.037 8.811 3.873 371 HB VAL 56 HB VAL 56 -5.626 11.128 4.988 372 1HG1 VAL 56 HG11 VAL 56 -3.331 11.138 6.366 373 2HG1 VAL 56 HG12 VAL 56 -3.451 9.413 6.023 374 3HG1 VAL 56 HG13 VAL 56 -4.756 10.234 6.878 375 1HG2 VAL 56 HG21 VAL 56 -2.996 11.075 3.528 376 2HG2 VAL 56 HG22 VAL 56 -3.471 12.402 4.588 377 3HG2 VAL 56 HG23 VAL 56 -4.434 12.027 3.160 378 H GLY 57 HN GLY 57 -4.460 7.259 5.347 379 1HA GLY 57 HA2 GLY 57 -5.700 6.224 7.078 380 2HA GLY 57 HA1 GLY 57 -7.130 7.092 6.545 381 H ASP 58 HN ASP 58 -4.845 5.014 4.768 382 HA ASP 58 HA ASP 58 -7.142 3.339 3.985 383 1HB ASP 58 HB2 ASP 58 -4.886 4.456 2.467 384 2HB ASP 58 HB1 ASP 58 -5.184 2.748 2.158 385 H ALA 59 HN ALA 59 -7.174 1.376 4.887 386 HA ALA 59 HA ALA 59 -4.733 0.317 6.074 387 1HB ALA 59 HB1 ALA 59 -6.379 -1.485 6.896 388 2HB ALA 59 HB2 ALA 59 -7.632 -0.389 6.312 389 3HB ALA 59 HB3 ALA 59 -6.508 0.144 7.563 390 H ILE 60 HN ILE 60 -3.488 -1.128 5.124 391 HA ILE 60 HA ILE 60 -4.180 -2.275 2.587 392 HB ILE 60 HB ILE 60 -1.786 -2.948 4.299 393 1HG1 ILE 60 HG12 ILE 60 -1.431 -1.062 2.067 394 2HG1 ILE 60 HG11 ILE 60 -2.385 -0.428 3.404 395 1HG2 ILE 60 HG21 ILE 60 -2.385 -3.266 1.367 396 2HG2 ILE 60 HG22 ILE 60 -2.038 -4.528 2.548 397 3HG2 ILE 60 HG23 ILE 60 -0.765 -3.415 2.049 398 1HD1 ILE 60 HD11 ILE 60 -0.289 0.194 4.043 399 2HD1 ILE 60 HD12 ILE 60 0.474 -1.222 3.320 400 3HD1 ILE 60 HD13 ILE 60 -0.406 -1.374 4.840 401 H LEU 61 HN LEU 61 -4.858 -4.270 2.103 402 HA LEU 61 HA LEU 61 -4.973 -6.282 4.252 403 1HB LEU 61 HB2 LEU 61 -7.120 -5.465 2.314 404 2HB LEU 61 HB1 LEU 61 -7.111 -7.067 3.026 405 HG LEU 61 HG LEU 61 -6.901 -5.613 5.273 406 1HD1 LEU 61 HD11 LEU 61 -7.817 -3.538 5.215 407 2HD1 LEU 61 HD12 LEU 61 -8.834 -3.900 3.820 408 3HD1 LEU 61 HD13 LEU 61 -7.116 -3.566 3.596 409 1HD2 LEU 61 HD21 LEU 61 -8.648 -7.332 4.451 410 2HD2 LEU 61 HD22 LEU 61 -9.605 -5.915 4.025 411 3HD2 LEU 61 HD23 LEU 61 -9.110 -6.174 5.697 412 H ALA 62 HN ALA 62 -5.159 -5.794 0.715 413 HA ALA 62 HA ALA 62 -3.521 -8.212 0.377 414 1HB ALA 62 HB1 ALA 62 -6.160 -8.300 -0.148 415 2HB ALA 62 HB2 ALA 62 -4.957 -9.253 -1.016 416 3HB ALA 62 HB3 ALA 62 -5.554 -7.745 -1.710 417 H VAL 63 HN VAL 63 -2.091 -8.191 -1.348 418 HA VAL 63 HA VAL 63 -2.008 -5.800 -3.045 419 HB VAL 63 HB VAL 63 0.443 -6.845 -1.615 420 1HG1 VAL 63 HG11 VAL 63 -0.059 -4.578 -3.517 421 2HG1 VAL 63 HG12 VAL 63 1.149 -5.859 -3.614 422 3HG1 VAL 63 HG13 VAL 63 1.321 -4.574 -2.419 423 1HG2 VAL 63 HG21 VAL 63 0.353 -4.807 -0.265 424 2HG2 VAL 63 HG22 VAL 63 -1.081 -5.802 -0.015 425 3HG2 VAL 63 HG23 VAL 63 -1.172 -4.363 -1.030 426 H ASN 64 HN ASN 64 -1.998 -6.494 -5.075 427 HA ASN 64 HA ASN 64 -1.649 -7.737 -6.944 428 1HB ASN 64 HB2 ASN 64 0.819 -7.303 -5.883 429 2HB ASN 64 HB1 ASN 64 0.796 -9.062 -5.941 430 1HD2 ASN 64 HD21 ASN 64 1.502 -6.309 -7.651 431 2HD2 ASN 64 HD22 ASN 64 1.508 -6.970 -9.248 432 H GLY 65 HN GLY 65 -3.239 -8.901 -4.832 433 1HA GLY 65 HA2 GLY 65 -4.433 -10.910 -4.799 434 2HA GLY 65 HA1 GLY 65 -3.154 -11.663 -5.735 435 H VAL 66 HN VAL 66 -1.277 -10.383 -3.548 436 HA VAL 66 HA VAL 66 -1.327 -12.745 -1.849 437 HB VAL 66 HB VAL 66 0.683 -10.489 -1.821 438 1HG1 VAL 66 HG11 VAL 66 1.094 -11.624 0.123 439 2HG1 VAL 66 HG12 VAL 66 2.087 -12.559 -0.995 440 3HG1 VAL 66 HG13 VAL 66 0.500 -13.158 -0.514 441 1HG2 VAL 66 HG21 VAL 66 0.433 -11.659 -4.053 442 2HG2 VAL 66 HG22 VAL 66 1.004 -13.120 -3.246 443 3HG2 VAL 66 HG23 VAL 66 2.042 -11.697 -3.333 444 H ASN 67 HN ASN 67 -2.056 -12.776 0.181 445 HA ASN 67 HA ASN 67 -3.227 -10.389 1.303 446 1HB ASN 67 HB2 ASN 67 -3.828 -11.964 3.215 447 2HB ASN 67 HB1 ASN 67 -4.517 -12.351 1.644 448 1HD2 ASN 67 HD21 ASN 67 -1.995 -13.195 3.944 449 2HD2 ASN 67 HD22 ASN 67 -1.777 -14.815 3.386 450 H LEU 68 HN LEU 68 -2.572 -9.269 3.101 451 HA LEU 68 HA LEU 68 0.085 -9.983 4.159 452 1HB LEU 68 HB2 LEU 68 -1.110 -7.365 3.378 453 2HB LEU 68 HB1 LEU 68 0.058 -7.396 4.686 454 HG LEU 68 HG LEU 68 1.425 -8.815 2.853 455 1HD1 LEU 68 HD11 LEU 68 -0.652 -8.229 1.313 456 2HD1 LEU 68 HD12 LEU 68 0.992 -8.304 0.682 457 3HD1 LEU 68 HD13 LEU 68 0.270 -6.744 1.073 458 1HD2 LEU 68 HD21 LEU 68 1.274 -5.831 3.203 459 2HD2 LEU 68 HD22 LEU 68 2.520 -6.633 2.247 460 3HD2 LEU 68 HD23 LEU 68 2.384 -6.962 3.973 461 H ARG 69 HN ARG 69 -2.736 -10.624 5.124 462 HA ARG 69 HA ARG 69 -3.126 -9.166 7.541 463 1HB ARG 69 HB2 ARG 69 -4.630 -10.954 6.053 464 2HB ARG 69 HB1 ARG 69 -4.265 -11.854 7.518 465 1HG ARG 69 HG2 ARG 69 -6.308 -10.784 7.929 466 2HG ARG 69 HG1 ARG 69 -5.102 -9.837 8.802 467 1HD ARG 69 HD2 ARG 69 -6.574 -8.314 7.691 468 2HD ARG 69 HD1 ARG 69 -5.020 -8.278 6.859 469 HE ARG 69 HE ARG 69 -6.038 -9.103 4.983 470 1HH1 ARG 69 HH11 ARG 69 -8.193 -9.559 7.705 471 2HH1 ARG 69 HH12 ARG 69 -9.524 -10.076 6.725 472 1HH2 ARG 69 HH21 ARG 69 -7.799 -9.776 3.692 473 2HH2 ARG 69 HH22 ARG 69 -9.300 -10.201 4.445 474 H ASP 70 HN ASP 70 -1.411 -12.133 6.707 475 HA ASP 70 HA ASP 70 -0.737 -12.535 9.539 476 1HB ASP 70 HB2 ASP 70 -0.036 -14.789 8.906 477 2HB ASP 70 HB1 ASP 70 -1.688 -14.478 8.387 478 H THR 71 HN THR 71 0.544 -10.748 7.209 479 HA THR 71 HA THR 71 3.309 -11.647 7.524 480 HB THR 71 HB THR 71 3.812 -9.869 5.834 481 HG1 THR 71 HG1 THR 71 2.312 -8.551 5.184 482 1HG2 THR 71 HG21 THR 71 3.416 -11.247 4.135 483 2HG2 THR 71 HG22 THR 71 1.678 -11.279 4.440 484 3HG2 THR 71 HG23 THR 71 2.756 -12.333 5.356 485 H LYS 72 HN LYS 72 4.866 -9.553 7.582 486 HA LYS 72 HA LYS 72 3.996 -7.977 9.919 487 1HB LYS 72 HB2 LYS 72 6.507 -9.384 9.278 488 2HB LYS 72 HB1 LYS 72 6.714 -7.776 9.953 489 1HG LYS 72 HG2 LYS 72 6.619 -8.845 11.914 490 2HG LYS 72 HG1 LYS 72 4.875 -8.803 11.652 491 1HD LYS 72 HD2 LYS 72 4.827 -11.024 10.881 492 2HD LYS 72 HD1 LYS 72 6.575 -11.064 10.638 493 1HE LYS 72 HE2 LYS 72 5.126 -10.953 13.284 494 2HE LYS 72 HE1 LYS 72 5.974 -12.344 12.610 495 1HZ LYS 72 HZ1 LYS 72 8.002 -10.812 12.617 496 2HZ LYS 72 HZ2 LYS 72 7.478 -11.426 14.103 497 3HZ LYS 72 HZ3 LYS 72 7.113 -9.832 13.671 498 H HIS 73 HN HIS 73 4.976 -5.809 10.112 499 HA HIS 73 HA HIS 73 4.498 -4.207 7.897 500 1HB HIS 73 HB2 HIS 73 4.551 -3.353 10.201 501 2HB HIS 73 HB1 HIS 73 6.291 -3.607 10.263 502 HD1 HIS 73 HD1 HIS 73 7.308 -1.357 10.259 503 HD2 HIS 73 HD2 HIS 73 4.183 -1.638 7.536 504 HE1 HIS 73 HE1 HIS 73 7.256 0.856 9.067 505 HE2 HIS 73 HE2 HIS 73 5.315 0.687 7.469 506 H LYS 74 HN LYS 74 7.657 -5.268 9.183 507 HA LYS 74 HA LYS 74 9.247 -4.045 7.218 508 1HB LYS 74 HB2 LYS 74 10.061 -5.006 9.389 509 2HB LYS 74 HB1 LYS 74 9.870 -6.610 8.695 510 1HG LYS 74 HG2 LYS 74 11.522 -6.092 6.990 511 2HG LYS 74 HG1 LYS 74 11.687 -4.455 7.630 512 1HD LYS 74 HD2 LYS 74 12.084 -6.721 9.511 513 2HD LYS 74 HD1 LYS 74 13.344 -6.421 8.312 514 1HE LYS 74 HE2 LYS 74 13.585 -4.142 9.080 515 2HE LYS 74 HE1 LYS 74 12.239 -4.345 10.201 516 1HZ LYS 74 HZ1 LYS 74 13.502 -5.519 11.649 517 2HZ LYS 74 HZ2 LYS 74 14.747 -4.616 10.945 518 3HZ LYS 74 HZ3 LYS 74 14.473 -6.209 10.449 519 H GLU 75 HN GLU 75 7.762 -7.256 7.357 520 HA GLU 75 HA GLU 75 8.909 -8.293 5.004 521 1HB GLU 75 HB2 GLU 75 6.574 -8.977 6.718 522 2HB GLU 75 HB1 GLU 75 6.614 -9.665 5.101 523 1HG GLU 75 HG2 GLU 75 7.586 -11.248 6.561 524 2HG GLU 75 HG1 GLU 75 8.900 -10.537 5.624 525 H ALA 76 HN ALA 76 5.992 -6.382 5.576 526 HA ALA 76 HA ALA 76 4.871 -6.620 3.002 527 1HB ALA 76 HB1 ALA 76 3.478 -4.766 3.589 528 2HB ALA 76 HB2 ALA 76 4.594 -4.258 4.857 529 3HB ALA 76 HB3 ALA 76 3.689 -5.763 5.028 530 H VAL 77 HN VAL 77 7.246 -4.375 4.348 531 HA VAL 77 HA VAL 77 7.326 -2.555 2.203 532 HB VAL 77 HB VAL 77 9.663 -3.296 3.973 533 1HG1 VAL 77 HG11 VAL 77 10.729 -1.474 3.194 534 2HG1 VAL 77 HG12 VAL 77 9.252 -0.515 3.113 535 3HG1 VAL 77 HG13 VAL 77 9.640 -1.646 1.818 536 1HG2 VAL 77 HG21 VAL 77 7.166 -2.319 4.790 537 2HG2 VAL 77 HG22 VAL 77 8.254 -0.932 4.809 538 3HG2 VAL 77 HG23 VAL 77 8.655 -2.380 5.731 539 H THR 78 HN THR 78 9.187 -5.509 2.845 540 HA THR 78 HA THR 78 10.878 -5.343 0.605 541 HB THR 78 HB THR 78 9.941 -7.955 1.772 542 HG1 THR 78 HG1 THR 78 10.516 -7.154 3.630 543 1HG2 THR 78 HG21 THR 78 12.752 -7.744 1.544 544 2HG2 THR 78 HG22 THR 78 12.039 -7.213 0.020 545 3HG2 THR 78 HG23 THR 78 11.649 -8.805 0.668 546 H ILE 79 HN ILE 79 7.738 -6.956 1.059 547 HA ILE 79 HA ILE 79 7.579 -8.128 -1.495 548 HB ILE 79 HB ILE 79 5.257 -7.190 0.202 549 1HG1 ILE 79 HG12 ILE 79 6.179 -10.030 0.169 550 2HG1 ILE 79 HG11 ILE 79 7.096 -8.879 1.134 551 1HG2 ILE 79 HG21 ILE 79 5.490 -8.793 -2.270 552 2HG2 ILE 79 HG22 ILE 79 4.182 -7.752 -1.707 553 3HG2 ILE 79 HG23 ILE 79 4.355 -9.381 -1.055 554 1HD1 ILE 79 HD11 ILE 79 4.579 -10.148 1.693 555 2HD1 ILE 79 HD12 ILE 79 4.432 -8.393 1.777 556 3HD1 ILE 79 HD13 ILE 79 5.636 -9.225 2.760 557 H LEU 80 HN LEU 80 6.567 -4.944 -0.303 558 HA LEU 80 HA LEU 80 5.181 -4.070 -2.569 559 1HB LEU 80 HB2 LEU 80 6.794 -2.531 -0.537 560 2HB LEU 80 HB1 LEU 80 5.830 -1.761 -1.782 561 HG LEU 80 HG LEU 80 4.511 -3.719 0.047 562 1HD1 LEU 80 HD11 LEU 80 5.301 -2.524 1.797 563 2HD1 LEU 80 HD12 LEU 80 3.996 -1.431 1.340 564 3HD1 LEU 80 HD13 LEU 80 5.647 -1.101 0.816 565 1HD2 LEU 80 HD21 LEU 80 2.595 -2.256 -0.340 566 2HD2 LEU 80 HD22 LEU 80 3.293 -2.807 -1.863 567 3HD2 LEU 80 HD23 LEU 80 3.609 -1.170 -1.290 568 H SER 81 HN SER 81 8.638 -4.032 -1.818 569 HA SER 81 HA SER 81 9.430 -2.502 -4.073 570 1HB SER 81 HB2 SER 81 10.974 -2.643 -2.260 571 2HB SER 81 HB1 SER 81 10.938 -4.406 -2.275 572 HG SER 81 HG SER 81 12.040 -2.698 -4.259 573 H GLN 82 HN GLN 82 8.847 -5.931 -3.566 574 HA GLN 82 HA GLN 82 10.102 -6.896 -5.906 575 1HB GLN 82 HB2 GLN 82 7.748 -8.068 -4.411 576 2HB GLN 82 HB1 GLN 82 8.746 -8.917 -5.581 577 1HG GLN 82 HG2 GLN 82 10.700 -8.362 -4.011 578 2HG GLN 82 HG1 GLN 82 9.449 -8.006 -2.822 579 1HE2 GLN 82 HE21 GLN 82 8.976 -9.629 -1.536 580 2HE2 GLN 82 HE22 GLN 82 9.087 -11.308 -1.925 581 H GLN 83 HN GLN 83 6.987 -5.400 -5.355 582 HA GLN 83 HA GLN 83 5.678 -6.265 -7.698 583 1HB GLN 83 HB2 GLN 83 5.235 -3.609 -6.334 584 2HB GLN 83 HB1 GLN 83 4.089 -4.528 -7.298 585 1HG GLN 83 HG2 GLN 83 5.108 -5.155 -4.545 586 2HG GLN 83 HG1 GLN 83 3.459 -4.771 -5.033 587 1HE2 GLN 83 HE21 GLN 83 4.963 -7.160 -3.771 588 2HE2 GLN 83 HE22 GLN 83 4.327 -8.515 -4.632 589 H ARG 84 HN ARG 84 6.439 -5.984 -9.689 590 HA ARG 84 HA ARG 84 7.729 -3.423 -10.371 591 1HB ARG 84 HB2 ARG 84 8.911 -5.772 -10.585 592 2HB ARG 84 HB1 ARG 84 7.994 -5.860 -12.080 593 1HG ARG 84 HG2 ARG 84 10.121 -5.015 -12.644 594 2HG ARG 84 HG1 ARG 84 9.010 -3.645 -12.710 595 1HD ARG 84 HD2 ARG 84 10.099 -3.919 -10.063 596 2HD ARG 84 HD1 ARG 84 11.401 -3.856 -11.249 597 HE ARG 84 HE ARG 84 9.778 -1.807 -11.979 598 1HH1 ARG 84 HH11 ARG 84 11.329 -2.689 -8.966 599 2HH1 ARG 84 HH12 ARG 84 11.462 -1.053 -8.414 600 1HH2 ARG 84 HH21 ARG 84 9.952 0.345 -11.240 601 2HH2 ARG 84 HH22 ARG 84 10.681 0.666 -9.702 602 H GLY 85 HN GLY 85 7.165 -2.359 -12.287 603 1HA GLY 85 HA2 GLY 85 5.774 -1.644 -13.967 604 2HA GLY 85 HA1 GLY 85 5.365 -3.335 -14.219 605 H GLU 86 HN GLU 86 3.358 -3.985 -13.741 606 HA GLU 86 HA GLU 86 1.486 -2.043 -12.712 607 1HB GLU 86 HB2 GLU 86 1.046 -3.685 -14.629 608 2HB GLU 86 HB1 GLU 86 0.876 -4.918 -13.387 609 1HG GLU 86 HG2 GLU 86 -0.980 -3.739 -12.403 610 2HG GLU 86 HG1 GLU 86 -0.767 -2.399 -13.529 611 H ILE 87 HN ILE 87 0.873 -1.859 -10.664 612 HA ILE 87 HA ILE 87 1.282 -4.158 -8.865 613 HB ILE 87 HB ILE 87 1.530 -1.292 -7.969 614 1HG1 ILE 87 HG12 ILE 87 3.759 -3.156 -8.829 615 2HG1 ILE 87 HG11 ILE 87 3.242 -1.708 -9.688 616 1HG2 ILE 87 HG21 ILE 87 2.218 -3.963 -6.773 617 2HG2 ILE 87 HG22 ILE 87 1.133 -2.723 -6.143 618 3HG2 ILE 87 HG23 ILE 87 2.875 -2.450 -6.148 619 1HD1 ILE 87 HD11 ILE 87 4.838 -0.660 -8.564 620 2HD1 ILE 87 HD12 ILE 87 5.028 -1.993 -7.426 621 3HD1 ILE 87 HD13 ILE 87 3.779 -0.777 -7.158 622 H GLU 88 HN GLU 88 -0.530 -4.856 -7.961 623 HA GLU 88 HA GLU 88 -2.912 -3.165 -8.013 624 1HB GLU 88 HB2 GLU 88 -2.399 -6.095 -7.796 625 2HB GLU 88 HB1 GLU 88 -3.877 -5.464 -7.085 626 1HG GLU 88 HG2 GLU 88 -4.838 -5.097 -9.074 627 2HG GLU 88 HG1 GLU 88 -3.341 -4.525 -9.807 628 H PHE 89 HN PHE 89 -3.769 -2.248 -6.257 629 HA PHE 89 HA PHE 89 -2.794 -3.119 -3.616 630 1HB PHE 89 HB2 PHE 89 -2.430 -0.603 -4.852 631 2HB PHE 89 HB1 PHE 89 -3.625 -0.365 -3.583 632 HD1 PHE 89 HD1 PHE 89 -0.233 -1.714 -4.231 633 HD2 PHE 89 HD2 PHE 89 -2.977 -0.202 -1.352 634 HE1 PHE 89 HE1 PHE 89 1.567 -1.646 -2.557 635 HE2 PHE 89 HE2 PHE 89 -1.182 -0.131 0.328 636 HZ PHE 89 HZ PHE 89 1.094 -0.853 -0.273 637 H GLU 90 HN GLU 90 -4.308 -3.616 -2.160 638 HA GLU 90 HA GLU 90 -7.066 -2.703 -2.647 639 1HB GLU 90 HB2 GLU 90 -6.010 -5.428 -2.078 640 2HB GLU 90 HB1 GLU 90 -7.533 -4.981 -1.321 641 1HG GLU 90 HG2 GLU 90 -8.653 -4.859 -3.315 642 2HG GLU 90 HG1 GLU 90 -7.192 -4.506 -4.238 643 H VAL 91 HN VAL 91 -7.653 -1.346 -1.114 644 HA VAL 91 HA VAL 91 -6.944 -1.920 1.679 645 HB VAL 91 HB VAL 91 -6.549 0.536 2.039 646 1HG1 VAL 91 HG11 VAL 91 -4.476 -0.294 2.081 647 2HG1 VAL 91 HG12 VAL 91 -4.321 0.315 0.434 648 3HG1 VAL 91 HG13 VAL 91 -4.784 -1.362 0.714 649 1HG2 VAL 91 HG21 VAL 91 -6.470 2.058 0.347 650 2HG2 VAL 91 HG22 VAL 91 -7.656 0.951 -0.340 651 3HG2 VAL 91 HG23 VAL 91 -5.971 0.868 -0.853 652 H VAL 92 HN VAL 92 -8.213 -0.404 3.186 653 HA VAL 92 HA VAL 92 -10.861 0.233 2.074 654 HB VAL 92 HB VAL 92 -11.922 -0.634 4.152 655 1HG1 VAL 92 HG11 VAL 92 -11.104 -3.159 3.486 656 2HG1 VAL 92 HG12 VAL 92 -10.698 -2.236 2.040 657 3HG1 VAL 92 HG13 VAL 92 -12.352 -2.234 2.651 658 1HG2 VAL 92 HG21 VAL 92 -10.651 -2.244 5.534 659 2HG2 VAL 92 HG22 VAL 92 -10.026 -0.599 5.653 660 3HG2 VAL 92 HG23 VAL 92 -9.184 -1.793 4.667 661 H TYR 93 HN TYR 93 -11.808 2.075 2.864 662 HA TYR 93 HA TYR 93 -10.156 3.966 4.183 663 1HB TYR 93 HB2 TYR 93 -12.284 4.230 2.586 664 2HB TYR 93 HB1 TYR 93 -13.112 4.366 4.132 665 HD1 TYR 93 HD1 TYR 93 -12.614 6.458 1.805 666 HD2 TYR 93 HD2 TYR 93 -10.842 5.788 5.620 667 HE1 TYR 93 HE1 TYR 93 -12.006 8.834 1.938 668 HE2 TYR 93 HE2 TYR 93 -10.223 8.158 5.754 669 HH TYR 93 HH TYR 93 -9.966 10.137 3.380 670 H VAL 94 HN VAL 94 -9.662 3.994 6.280 671 HA VAL 94 HA VAL 94 -11.533 2.803 8.201 672 HB VAL 94 HB VAL 94 -9.254 1.903 8.221 673 1HG1 VAL 94 HG11 VAL 94 -7.935 3.753 7.509 674 2HG1 VAL 94 HG12 VAL 94 -7.410 3.327 9.136 675 3HG1 VAL 94 HG13 VAL 94 -8.449 4.729 8.885 676 1HG2 VAL 94 HG21 VAL 94 -10.780 2.460 10.350 677 2HG2 VAL 94 HG22 VAL 94 -9.328 3.361 10.787 678 3HG2 VAL 94 HG23 VAL 94 -9.228 1.631 10.462 679 H ALA 95 HN ALA 95 -12.510 3.958 9.750 680 HA ALA 95 HA ALA 95 -11.573 6.452 10.738 681 1HB ALA 95 HB1 ALA 95 -13.200 7.951 9.826 682 2HB ALA 95 HB2 ALA 95 -14.019 6.636 8.984 683 3HB ALA 95 HB3 ALA 95 -12.402 7.133 8.482 Start of MODEL 19 1 HT1 PRO 9 HT2 PRO 9 -17.469 -1.948 2.835 2 HT2 PRO 9 HT1 PRO 9 -16.158 -1.178 3.465 3 HA PRO 9 HA PRO 9 -17.426 -0.930 1.021 4 1HB PRO 9 HB2 PRO 9 -16.459 1.689 1.477 5 2HB PRO 9 HB1 PRO 9 -18.128 1.199 1.163 6 1HG PRO 9 HG2 PRO 9 -16.760 1.709 3.752 7 2HG PRO 9 HG1 PRO 9 -18.455 1.967 3.303 8 1HD PRO 9 HD2 PRO 9 -17.761 -0.072 4.877 9 2HD PRO 9 HD1 PRO 9 -19.015 -0.274 3.638 10 H ILE 10 HN ILE 10 -15.733 -2.133 0.261 11 HA ILE 10 HA ILE 10 -12.994 -1.276 0.837 12 HB ILE 10 HB ILE 10 -13.980 -3.727 -0.636 13 1HG1 ILE 10 HG12 ILE 10 -12.814 -4.664 1.617 14 2HG1 ILE 10 HG11 ILE 10 -13.450 -3.136 2.217 15 1HG2 ILE 10 HG21 ILE 10 -11.852 -3.496 -1.454 16 2HG2 ILE 10 HG22 ILE 10 -11.534 -4.431 0.007 17 3HG2 ILE 10 HG23 ILE 10 -11.261 -2.689 -0.003 18 1HD1 ILE 10 HD11 ILE 10 -14.824 -5.603 1.603 19 2HD1 ILE 10 HD12 ILE 10 -15.559 -4.217 0.798 20 3HD1 ILE 10 HD13 ILE 10 -15.358 -4.215 2.550 21 H ARG 11 HN ARG 11 -11.551 -0.618 -0.733 22 HA ARG 11 HA ARG 11 -12.667 -0.157 -3.425 23 1HB ARG 11 HB2 ARG 11 -11.752 1.778 -1.530 24 2HB ARG 11 HB1 ARG 11 -10.643 1.775 -2.896 25 1HG ARG 11 HG2 ARG 11 -12.739 1.921 -4.357 26 2HG ARG 11 HG1 ARG 11 -13.582 2.357 -2.870 27 1HD ARG 11 HD2 ARG 11 -11.630 4.089 -2.632 28 2HD ARG 11 HD1 ARG 11 -11.475 3.847 -4.372 29 HE ARG 11 HE ARG 11 -13.518 5.309 -3.017 30 1HH1 ARG 11 HH11 ARG 11 -12.872 3.370 -5.863 31 2HH1 ARG 11 HH12 ARG 11 -14.138 4.092 -6.796 32 1HH2 ARG 11 HH21 ARG 11 -15.188 6.260 -4.254 33 2HH2 ARG 11 HH22 ARG 11 -15.453 5.734 -5.883 34 H LYS 12 HN LYS 12 -11.282 -0.386 -5.183 35 HA LYS 12 HA LYS 12 -8.707 -1.691 -4.580 36 1HB LYS 12 HB2 LYS 12 -10.385 -2.069 -7.065 37 2HB LYS 12 HB1 LYS 12 -8.959 -2.985 -6.599 38 1HG LYS 12 HG2 LYS 12 -11.368 -2.969 -4.830 39 2HG LYS 12 HG1 LYS 12 -11.321 -4.000 -6.261 40 1HD LYS 12 HD2 LYS 12 -9.027 -4.768 -5.337 41 2HD LYS 12 HD1 LYS 12 -9.595 -4.080 -3.814 42 1HE LYS 12 HE2 LYS 12 -11.376 -5.947 -5.306 43 2HE LYS 12 HE1 LYS 12 -10.014 -6.611 -4.406 44 1HZ LYS 12 HZ1 LYS 12 -10.872 -5.865 -2.400 45 2HZ LYS 12 HZ2 LYS 12 -12.254 -6.386 -3.224 46 3HZ LYS 12 HZ3 LYS 12 -11.903 -4.735 -3.127 47 H VAL 13 HN VAL 13 -7.067 -0.329 -4.944 48 HA VAL 13 HA VAL 13 -7.243 1.499 -7.253 49 HB VAL 13 HB VAL 13 -5.474 1.831 -4.824 50 1HG1 VAL 13 HG11 VAL 13 -5.100 4.072 -5.652 51 2HG1 VAL 13 HG12 VAL 13 -6.195 3.788 -7.005 52 3HG1 VAL 13 HG13 VAL 13 -4.674 2.901 -6.900 53 1HG2 VAL 13 HG21 VAL 13 -8.178 2.081 -4.767 54 2HG2 VAL 13 HG22 VAL 13 -7.696 3.714 -5.226 55 3HG2 VAL 13 HG23 VAL 13 -7.069 2.993 -3.743 56 H LEU 14 HN LEU 14 -5.785 1.323 -8.849 57 HA LEU 14 HA LEU 14 -3.634 -0.654 -8.538 58 1HB LEU 14 HB2 LEU 14 -4.605 0.541 -11.127 59 2HB LEU 14 HB1 LEU 14 -3.646 -0.909 -10.902 60 HG LEU 14 HG LEU 14 -5.810 -1.707 -9.583 61 1HD1 LEU 14 HD11 LEU 14 -6.702 0.613 -11.197 62 2HD1 LEU 14 HD12 LEU 14 -7.331 -0.024 -9.678 63 3HD1 LEU 14 HD13 LEU 14 -7.726 -0.822 -11.200 64 1HD2 LEU 14 HD21 LEU 14 -5.198 -1.741 -12.510 65 2HD2 LEU 14 HD22 LEU 14 -6.664 -2.506 -11.899 66 3HD2 LEU 14 HD23 LEU 14 -5.086 -3.043 -11.325 67 H LEU 15 HN LEU 15 -1.567 -0.019 -8.454 68 HA LEU 15 HA LEU 15 -0.913 2.719 -9.337 69 1HB LEU 15 HB2 LEU 15 -0.793 2.022 -6.811 70 2HB LEU 15 HB1 LEU 15 0.718 1.270 -7.289 71 HG LEU 15 HG LEU 15 0.296 4.118 -8.051 72 1HD1 LEU 15 HD11 LEU 15 1.323 4.696 -5.770 73 2HD1 LEU 15 HD12 LEU 15 0.688 3.135 -5.249 74 3HD1 LEU 15 HD13 LEU 15 -0.410 4.377 -5.850 75 1HD2 LEU 15 HD21 LEU 15 2.357 2.394 -8.345 76 2HD2 LEU 15 HD22 LEU 15 2.792 3.164 -6.820 77 3HD2 LEU 15 HD23 LEU 15 2.537 4.144 -8.262 78 H LEU 16 HN LEU 16 0.898 3.051 -10.567 79 HA LEU 16 HA LEU 16 2.249 0.630 -11.559 80 1HB LEU 16 HB2 LEU 16 1.333 3.131 -12.850 81 2HB LEU 16 HB1 LEU 16 2.875 2.504 -13.401 82 HG LEU 16 HG LEU 16 0.659 0.547 -13.262 83 1HD1 LEU 16 HD11 LEU 16 -0.142 1.325 -15.522 84 2HD1 LEU 16 HD12 LEU 16 0.692 2.845 -15.202 85 3HD1 LEU 16 HD13 LEU 16 -0.624 2.323 -14.151 86 1HD2 LEU 16 HD21 LEU 16 1.790 -0.482 -14.969 87 2HD2 LEU 16 HD22 LEU 16 3.121 0.338 -14.154 88 3HD2 LEU 16 HD23 LEU 16 2.420 1.033 -15.615 89 H LYS 17 HN LYS 17 4.357 0.380 -11.157 90 HA LYS 17 HA LYS 17 5.830 2.659 -10.030 91 1HB LYS 17 HB2 LYS 17 5.520 0.370 -8.818 92 2HB LYS 17 HB1 LYS 17 6.787 -0.182 -9.904 93 1HG LYS 17 HG2 LYS 17 7.514 2.313 -8.647 94 2HG LYS 17 HG1 LYS 17 7.102 1.084 -7.449 95 1HD LYS 17 HD2 LYS 17 8.647 -0.477 -8.687 96 2HD LYS 17 HD1 LYS 17 9.179 0.920 -9.625 97 1HE LYS 17 HE2 LYS 17 10.035 1.999 -7.687 98 2HE LYS 17 HE1 LYS 17 9.265 0.828 -6.617 99 1HZ LYS 17 HZ1 LYS 17 11.665 0.514 -8.290 100 2HZ LYS 17 HZ2 LYS 17 10.745 -0.850 -7.895 101 3HZ LYS 17 HZ3 LYS 17 11.427 0.093 -6.669 102 H GLU 18 HN GLU 18 7.297 3.632 -11.234 103 HA GLU 18 HA GLU 18 8.317 2.274 -13.624 104 1HB GLU 18 HB2 GLU 18 7.280 4.796 -13.309 105 2HB GLU 18 HB1 GLU 18 9.009 5.106 -13.245 106 1HG GLU 18 HG2 GLU 18 8.413 5.350 -15.491 107 2HG GLU 18 HG1 GLU 18 9.190 3.773 -15.387 108 H ASP 19 HN ASP 19 10.585 2.478 -14.182 109 HA ASP 19 HA ASP 19 12.317 1.753 -12.111 110 1HB ASP 19 HB2 ASP 19 12.714 2.596 -14.955 111 2HB ASP 19 HB1 ASP 19 14.119 2.451 -13.904 112 H HIS 20 HN HIS 20 11.711 4.898 -13.594 113 HA HIS 20 HA HIS 20 13.761 6.175 -11.989 114 1HB HIS 20 HB2 HIS 20 13.150 8.218 -13.154 115 2HB HIS 20 HB1 HIS 20 13.360 6.910 -14.311 116 HD1 HIS 20 HD1 HIS 20 10.871 9.317 -13.010 117 HD2 HIS 20 HD2 HIS 20 10.939 6.008 -15.524 118 HE1 HIS 20 HE1 HIS 20 8.687 9.374 -14.256 119 HE2 HIS 20 HE2 HIS 20 8.750 7.364 -15.774 120 H GLU 21 HN GLU 21 10.367 5.532 -11.776 121 HA GLU 21 HA GLU 21 9.895 7.609 -9.793 122 1HB GLU 21 HB2 GLU 21 8.067 5.469 -10.898 123 2HB GLU 21 HB1 GLU 21 7.578 6.731 -9.776 124 1HG GLU 21 HG2 GLU 21 8.308 8.400 -11.511 125 2HG GLU 21 HG1 GLU 21 8.479 7.044 -12.623 126 H GLY 22 HN GLY 22 8.469 6.765 -7.847 127 1HA GLY 22 HA2 GLY 22 9.612 4.281 -6.769 128 2HA GLY 22 HA1 GLY 22 9.783 5.766 -5.846 129 H LEU 23 HN LEU 23 8.592 5.119 -4.092 130 HA LEU 23 HA LEU 23 5.965 3.987 -4.361 131 1HB LEU 23 HB2 LEU 23 7.520 3.475 -2.480 132 2HB LEU 23 HB1 LEU 23 7.305 5.115 -1.901 133 HG LEU 23 HG LEU 23 4.854 4.621 -1.663 134 1HD1 LEU 23 HD11 LEU 23 4.936 2.656 -3.244 135 2HD1 LEU 23 HD12 LEU 23 4.044 2.409 -1.743 136 3HD1 LEU 23 HD13 LEU 23 5.666 1.741 -1.925 137 1HD2 LEU 23 HD21 LEU 23 6.614 4.495 0.171 138 2HD2 LEU 23 HD22 LEU 23 6.529 2.745 -0.025 139 3HD2 LEU 23 HD23 LEU 23 5.094 3.649 0.457 140 H GLY 24 HN GLY 24 7.073 7.027 -2.807 141 1HA GLY 24 HA2 GLY 24 6.178 9.163 -3.044 142 2HA GLY 24 HA1 GLY 24 4.931 8.503 -4.082 143 H ILE 25 HN ILE 25 5.029 6.668 -1.276 144 HA ILE 25 HA ILE 25 3.205 8.437 0.186 145 HB ILE 25 HB ILE 25 1.619 6.586 0.576 146 1HG1 ILE 25 HG12 ILE 25 2.744 5.072 -1.735 147 2HG1 ILE 25 HG11 ILE 25 3.528 4.886 -0.170 148 1HG2 ILE 25 HG21 ILE 25 1.678 8.277 -1.505 149 2HG2 ILE 25 HG22 ILE 25 0.378 7.118 -1.233 150 3HG2 ILE 25 HG23 ILE 25 1.672 6.740 -2.369 151 1HD1 ILE 25 HD11 ILE 25 1.303 4.274 0.775 152 2HD1 ILE 25 HD12 ILE 25 1.946 3.138 -0.410 153 3HD1 ILE 25 HD13 ILE 25 0.675 4.269 -0.872 154 H SER 26 HN SER 26 2.716 7.609 2.391 155 HA SER 26 HA SER 26 4.963 6.035 3.473 156 1HB SER 26 HB2 SER 26 5.011 8.512 4.003 157 2HB SER 26 HB1 SER 26 3.538 8.259 4.938 158 HG SER 26 HG SER 26 4.639 7.071 6.385 159 H ILE 27 HN ILE 27 4.500 4.427 4.888 160 HA ILE 27 HA ILE 27 1.656 4.002 5.544 161 HB ILE 27 HB ILE 27 2.293 1.555 5.705 162 1HG1 ILE 27 HG12 ILE 27 4.645 2.344 3.989 163 2HG1 ILE 27 HG11 ILE 27 4.798 2.125 5.729 164 1HG2 ILE 27 HG21 ILE 27 2.524 1.489 3.044 165 2HG2 ILE 27 HG22 ILE 27 2.040 3.173 3.243 166 3HG2 ILE 27 HG23 ILE 27 1.014 1.881 3.866 167 1HD1 ILE 27 HD11 ILE 27 4.241 0.104 3.610 168 2HD1 ILE 27 HD12 ILE 27 3.744 -0.193 5.276 169 3HD1 ILE 27 HD13 ILE 27 5.445 0.079 4.898 170 H THR 28 HN THR 28 1.129 3.068 7.569 171 HA THR 28 HA THR 28 3.260 3.025 9.585 172 HB THR 28 HB THR 28 2.025 4.384 11.126 173 HG1 THR 28 HG1 THR 28 -0.046 4.283 9.197 174 1HG2 THR 28 HG21 THR 28 1.943 5.695 8.421 175 2HG2 THR 28 HG22 THR 28 3.285 5.718 9.565 176 3HG2 THR 28 HG23 THR 28 1.770 6.527 9.967 177 H GLY 29 HN GLY 29 2.773 1.787 11.481 178 1HA GLY 29 HA2 GLY 29 1.091 0.457 12.702 179 2HA GLY 29 HA1 GLY 29 0.496 -0.072 11.137 180 H GLY 30 HN GLY 30 0.825 -2.205 12.305 181 1HA GLY 30 HA2 GLY 30 2.924 -3.630 11.184 182 2HA GLY 30 HA1 GLY 30 3.460 -3.164 12.788 183 H LYS 31 HN LYS 31 2.084 -5.595 11.084 184 HA LYS 31 HA LYS 31 -0.009 -6.530 12.692 185 1HB LYS 31 HB2 LYS 31 1.092 -7.364 10.369 186 2HB LYS 31 HB1 LYS 31 1.740 -8.576 11.466 187 1HG LYS 31 HG2 LYS 31 -1.103 -8.106 11.866 188 2HG LYS 31 HG1 LYS 31 -0.715 -8.641 10.231 189 1HD LYS 31 HD2 LYS 31 0.271 -10.636 11.004 190 2HD LYS 31 HD1 LYS 31 0.364 -10.044 12.664 191 1HE LYS 31 HE2 LYS 31 -2.353 -10.085 11.591 192 2HE LYS 31 HE1 LYS 31 -1.598 -11.677 11.638 193 1HZ LYS 31 HZ1 LYS 31 -1.865 -9.812 13.937 194 2HZ LYS 31 HZ2 LYS 31 -1.115 -11.328 13.988 195 3HZ LYS 31 HZ3 LYS 31 -2.776 -11.216 13.686 196 H GLU 32 HN GLU 32 3.462 -6.729 13.121 197 HA GLU 32 HA GLU 32 3.598 -8.833 14.963 198 1HB GLU 32 HB2 GLU 32 5.448 -7.298 13.782 199 2HB GLU 32 HB1 GLU 32 5.403 -6.502 15.351 200 1HG GLU 32 HG2 GLU 32 5.528 -9.367 15.642 201 2HG GLU 32 HG1 GLU 32 6.852 -8.764 14.647 202 H HIS 33 HN HIS 33 2.665 -5.481 15.367 203 HA HIS 33 HA HIS 33 2.643 -5.674 18.265 204 1HB HIS 33 HB2 HIS 33 1.879 -3.455 16.361 205 2HB HIS 33 HB1 HIS 33 1.734 -3.328 18.110 206 HD1 HIS 33 HD1 HIS 33 4.264 -4.130 19.260 207 HD2 HIS 33 HD2 HIS 33 4.142 -2.239 15.562 208 HE1 HIS 33 HE1 HIS 33 6.549 -3.135 18.940 209 HE2 HIS 33 HE2 HIS 33 6.490 -2.106 16.641 210 H GLY 34 HN GLY 34 0.418 -5.906 15.588 211 1HA GLY 34 HA2 GLY 34 -1.613 -7.215 15.999 212 2HA GLY 34 HA1 GLY 34 -1.777 -6.349 17.517 213 H VAL 35 HN VAL 35 -0.922 -4.895 14.413 214 HA VAL 35 HA VAL 35 -3.605 -3.837 14.068 215 HB VAL 35 HB VAL 35 -2.571 -2.206 15.580 216 1HG1 VAL 35 HG11 VAL 35 -0.644 -1.262 13.550 217 2HG1 VAL 35 HG12 VAL 35 -0.225 -2.745 14.405 218 3HG1 VAL 35 HG13 VAL 35 -0.533 -1.264 15.310 219 1HG2 VAL 35 HG21 VAL 35 -3.059 -1.300 12.752 220 2HG2 VAL 35 HG22 VAL 35 -2.820 -0.178 14.091 221 3HG2 VAL 35 HG23 VAL 35 -4.184 -1.295 14.109 222 HA PRO 36 HA PRO 36 -2.391 -4.497 9.848 223 1HB PRO 36 HB2 PRO 36 -4.390 -3.086 8.640 224 2HB PRO 36 HB1 PRO 36 -4.614 -4.697 9.329 225 1HG PRO 36 HG2 PRO 36 -5.267 -2.026 10.515 226 2HG PRO 36 HG1 PRO 36 -6.231 -3.515 10.515 227 1HD PRO 36 HD2 PRO 36 -4.800 -2.747 12.661 228 2HD PRO 36 HD1 PRO 36 -5.004 -4.459 12.234 229 H ILE 37 HN ILE 37 -1.566 -3.323 8.018 230 HA ILE 37 HA ILE 37 -0.368 -0.801 8.777 231 HB ILE 37 HB ILE 37 -0.131 -2.165 6.095 232 1HG1 ILE 37 HG12 ILE 37 0.535 -3.805 7.737 233 2HG1 ILE 37 HG11 ILE 37 1.985 -3.152 6.986 234 1HG2 ILE 37 HG21 ILE 37 1.868 -0.899 5.830 235 2HG2 ILE 37 HG22 ILE 37 1.805 -0.338 7.502 236 3HG2 ILE 37 HG23 ILE 37 0.600 0.216 6.339 237 1HD1 ILE 37 HD11 ILE 37 1.147 -3.122 9.760 238 2HD1 ILE 37 HD12 ILE 37 1.633 -1.529 9.179 239 3HD1 ILE 37 HD13 ILE 37 2.746 -2.892 9.055 240 H LEU 38 HN LEU 38 -1.015 1.177 8.153 241 HA LEU 38 HA LEU 38 -2.999 1.390 5.991 242 1HB LEU 38 HB2 LEU 38 -3.134 2.883 8.609 243 2HB LEU 38 HB1 LEU 38 -4.274 3.006 7.283 244 HG LEU 38 HG LEU 38 -4.396 0.337 7.816 245 1HD1 LEU 38 HD11 LEU 38 -4.314 1.571 10.540 246 2HD1 LEU 38 HD12 LEU 38 -2.859 0.891 9.813 247 3HD1 LEU 38 HD13 LEU 38 -4.270 -0.131 10.081 248 1HD2 LEU 38 HD21 LEU 38 -6.227 2.051 7.560 249 2HD2 LEU 38 HD22 LEU 38 -6.044 2.384 9.281 250 3HD2 LEU 38 HD23 LEU 38 -6.531 0.778 8.742 251 H ILE 39 HN ILE 39 -3.114 3.469 4.955 252 HA ILE 39 HA ILE 39 -0.532 4.747 4.743 253 HB ILE 39 HB ILE 39 -3.075 5.624 3.373 254 1HG1 ILE 39 HG12 ILE 39 -2.756 3.241 2.918 255 2HG1 ILE 39 HG11 ILE 39 -2.409 4.193 1.479 256 1HG2 ILE 39 HG21 ILE 39 -1.562 7.272 2.920 257 2HG2 ILE 39 HG22 ILE 39 -1.189 6.158 1.607 258 3HG2 ILE 39 HG23 ILE 39 -0.175 6.191 3.048 259 1HD1 ILE 39 HD11 ILE 39 -0.788 2.268 2.711 260 2HD1 ILE 39 HD12 ILE 39 -0.005 3.825 2.977 261 3HD1 ILE 39 HD13 ILE 39 -0.393 3.303 1.339 262 H SER 40 HN SER 40 0.099 6.413 5.954 263 HA SER 40 HA SER 40 -1.962 8.091 7.218 264 1HB SER 40 HB2 SER 40 0.066 6.738 8.438 265 2HB SER 40 HB1 SER 40 0.802 8.325 8.210 266 HG SER 40 HG SER 40 -0.254 8.618 10.050 267 H GLU 41 HN GLU 41 1.078 8.200 5.385 268 HA GLU 41 HA GLU 41 0.535 11.051 4.861 269 1HB GLU 41 HB2 GLU 41 2.904 9.813 5.947 270 2HB GLU 41 HB1 GLU 41 3.280 10.612 4.427 271 1HG GLU 41 HG2 GLU 41 3.422 12.518 5.537 272 2HG GLU 41 HG1 GLU 41 1.686 12.424 5.827 273 H ILE 42 HN ILE 42 0.886 11.811 2.779 274 HA ILE 42 HA ILE 42 1.632 9.838 0.734 275 HB ILE 42 HB ILE 42 -0.714 11.715 0.414 276 1HG1 ILE 42 HG12 ILE 42 -0.881 8.724 0.799 277 2HG1 ILE 42 HG11 ILE 42 -1.029 9.853 2.141 278 1HG2 ILE 42 HG21 ILE 42 0.559 10.972 -1.626 279 2HG2 ILE 42 HG22 ILE 42 -1.157 10.568 -1.617 280 3HG2 ILE 42 HG23 ILE 42 0.042 9.328 -1.256 281 1HD1 ILE 42 HD11 ILE 42 -2.770 10.530 -0.075 282 2HD1 ILE 42 HD12 ILE 42 -3.136 10.323 1.637 283 3HD1 ILE 42 HD13 ILE 42 -3.073 8.919 0.573 284 H HIS 43 HN HIS 43 3.362 10.645 -0.285 285 HA HIS 43 HA HIS 43 4.036 13.416 -0.217 286 1HB HIS 43 HB2 HIS 43 5.221 11.113 -1.777 287 2HB HIS 43 HB1 HIS 43 5.901 12.735 -1.751 288 HD1 HIS 43 HD1 HIS 43 7.265 13.406 0.290 289 HD2 HIS 43 HD2 HIS 43 5.482 9.670 0.663 290 HE1 HIS 43 HE1 HIS 43 8.301 12.367 2.332 291 HE2 HIS 43 HE2 HIS 43 7.131 10.151 2.597 292 HA PRO 44 HA PRO 44 1.725 14.684 -3.803 293 1HB PRO 44 HB2 PRO 44 2.765 17.162 -4.076 294 2HB PRO 44 HB1 PRO 44 1.641 16.744 -2.777 295 1HG PRO 44 HG2 PRO 44 4.627 16.970 -2.701 296 2HG PRO 44 HG1 PRO 44 3.430 17.546 -1.526 297 1HD PRO 44 HD2 PRO 44 4.844 15.244 -1.202 298 2HD PRO 44 HD1 PRO 44 3.212 15.480 -0.548 299 H GLY 45 HN GLY 45 2.027 15.249 -6.028 300 1HA GLY 45 HA2 GLY 45 3.047 15.107 -8.079 301 2HA GLY 45 HA1 GLY 45 4.509 15.659 -7.276 302 H GLN 46 HN GLN 46 2.583 12.679 -7.014 303 HA GLN 46 HA GLN 46 4.789 11.114 -8.085 304 1HB GLN 46 HB2 GLN 46 4.323 11.391 -5.276 305 2HB GLN 46 HB1 GLN 46 3.933 9.742 -5.743 306 1HG GLN 46 HG2 GLN 46 6.115 9.367 -5.465 307 2HG GLN 46 HG1 GLN 46 6.283 10.122 -7.048 308 1HE2 GLN 46 HE21 GLN 46 5.930 11.139 -3.656 309 2HE2 GLN 46 HE22 GLN 46 7.166 12.343 -3.717 310 HA PRO 47 HA PRO 47 1.894 8.173 -9.689 311 1HB PRO 47 HB2 PRO 47 2.615 6.189 -7.575 312 2HB PRO 47 HB1 PRO 47 2.522 5.981 -9.328 313 1HG PRO 47 HG2 PRO 47 4.877 6.214 -8.130 314 2HG PRO 47 HG1 PRO 47 4.575 7.003 -9.690 315 1HD PRO 47 HD2 PRO 47 4.721 8.193 -6.959 316 2HD PRO 47 HD1 PRO 47 5.226 8.876 -8.517 317 H ALA 48 HN ALA 48 1.881 8.341 -6.142 318 HA ALA 48 HA ALA 48 -0.667 7.267 -5.681 319 1HB ALA 48 HB1 ALA 48 -0.356 7.857 -3.516 320 2HB ALA 48 HB2 ALA 48 0.198 9.480 -3.923 321 3HB ALA 48 HB3 ALA 48 1.302 8.112 -4.064 322 H ASP 49 HN ASP 49 0.359 10.626 -6.232 323 HA ASP 49 HA ASP 49 -2.256 11.730 -6.029 324 1HB ASP 49 HB2 ASP 49 0.229 12.809 -6.033 325 2HB ASP 49 HB1 ASP 49 -0.266 13.161 -7.686 326 H ARG 50 HN ARG 50 -0.287 10.542 -8.705 327 HA ARG 50 HA ARG 50 -1.800 11.481 -10.855 328 1HB ARG 50 HB2 ARG 50 -0.234 8.904 -10.625 329 2HB ARG 50 HB1 ARG 50 -0.824 9.591 -12.132 330 1HG ARG 50 HG2 ARG 50 1.067 11.037 -10.295 331 2HG ARG 50 HG1 ARG 50 1.596 9.994 -11.617 332 1HD ARG 50 HD2 ARG 50 0.941 11.466 -13.225 333 2HD ARG 50 HD1 ARG 50 -0.400 12.086 -12.262 334 HE ARG 50 HE ARG 50 2.188 12.800 -11.235 335 1HH1 ARG 50 HH11 ARG 50 -0.341 13.712 -13.485 336 2HH1 ARG 50 HH12 ARG 50 0.104 15.385 -13.494 337 1HH2 ARG 50 HH21 ARG 50 2.765 15.004 -11.256 338 2HH2 ARG 50 HH22 ARG 50 1.865 16.118 -12.231 339 H CYS 51 HN CYS 51 -2.336 8.717 -8.736 340 HA CYS 51 HA CYS 51 -4.451 7.638 -10.384 341 1HB CYS 51 HB2 CYS 51 -3.142 6.874 -7.817 342 2HB CYS 51 HB1 CYS 51 -4.770 6.276 -8.118 343 HG CYS 51 HG CYS 51 -3.691 4.508 -9.404 344 H GLY 52 HN GLY 52 -4.177 9.798 -7.639 345 1HA GLY 52 HA2 GLY 52 -5.751 11.106 -6.591 346 2HA GLY 52 HA1 GLY 52 -6.836 10.730 -7.917 347 H GLY 53 HN GLY 53 -5.620 7.967 -6.302 348 1HA GLY 53 HA2 GLY 53 -8.208 7.646 -4.920 349 2HA GLY 53 HA1 GLY 53 -7.223 6.326 -5.529 350 H LEU 54 HN LEU 54 -4.714 7.409 -4.497 351 HA LEU 54 HA LEU 54 -4.799 6.237 -1.915 352 1HB LEU 54 HB2 LEU 54 -2.801 7.133 -3.742 353 2HB LEU 54 HB1 LEU 54 -2.469 7.853 -2.177 354 HG LEU 54 HG LEU 54 -3.044 4.931 -2.278 355 1HD1 LEU 54 HD11 LEU 54 -1.387 5.582 -4.132 356 2HD1 LEU 54 HD12 LEU 54 -0.926 4.309 -3.005 357 3HD1 LEU 54 HD13 LEU 54 -0.272 5.935 -2.812 358 1HD2 LEU 54 HD21 LEU 54 -2.736 5.703 -0.113 359 2HD2 LEU 54 HD22 LEU 54 -1.457 6.822 -0.585 360 3HD2 LEU 54 HD23 LEU 54 -1.140 5.088 -0.542 361 H HIS 55 HN HIS 55 -6.037 7.203 -0.440 362 HA HIS 55 HA HIS 55 -5.604 10.067 0.101 363 1HB HIS 55 HB2 HIS 55 -7.873 9.939 1.219 364 2HB HIS 55 HB1 HIS 55 -7.887 9.707 -0.527 365 HD1 HIS 55 HD1 HIS 55 -7.521 7.322 2.444 366 HD2 HIS 55 HD2 HIS 55 -9.605 7.709 -1.134 367 HE1 HIS 55 HE1 HIS 55 -8.947 5.261 2.267 368 HE2 HIS 55 HE2 HIS 55 -10.161 5.491 0.074 369 H VAL 56 HN VAL 56 -5.664 10.753 2.347 370 HA VAL 56 HA VAL 56 -4.050 9.151 4.024 371 HB VAL 56 HB VAL 56 -5.765 11.490 4.881 372 1HG1 VAL 56 HG11 VAL 56 -4.850 10.108 6.713 373 2HG1 VAL 56 HG12 VAL 56 -4.184 11.740 6.693 374 3HG1 VAL 56 HG13 VAL 56 -3.227 10.391 6.085 375 1HG2 VAL 56 HG21 VAL 56 -4.295 12.953 4.014 376 2HG2 VAL 56 HG22 VAL 56 -3.872 11.621 2.939 377 3HG2 VAL 56 HG23 VAL 56 -2.903 11.933 4.380 378 H GLY 57 HN GLY 57 -4.539 7.687 5.567 379 1HA GLY 57 HA2 GLY 57 -5.827 6.575 7.168 380 2HA GLY 57 HA1 GLY 57 -7.218 7.533 6.685 381 H ASP 58 HN ASP 58 -5.038 5.377 4.868 382 HA ASP 58 HA ASP 58 -7.415 3.918 3.916 383 1HB ASP 58 HB2 ASP 58 -5.485 5.147 2.414 384 2HB ASP 58 HB1 ASP 58 -4.870 3.501 2.486 385 H ALA 59 HN ALA 59 -7.659 1.844 4.535 386 HA ALA 59 HA ALA 59 -5.521 0.605 6.081 387 1HB ALA 59 HB1 ALA 59 -7.171 -0.956 6.850 388 2HB ALA 59 HB2 ALA 59 -8.324 -0.400 5.636 389 3HB ALA 59 HB3 ALA 59 -7.841 0.673 6.949 390 H ILE 60 HN ILE 60 -4.140 -0.798 5.236 391 HA ILE 60 HA ILE 60 -4.545 -1.898 2.593 392 HB ILE 60 HB ILE 60 -2.294 -2.522 4.505 393 1HG1 ILE 60 HG12 ILE 60 -2.098 -0.480 2.313 394 2HG1 ILE 60 HG11 ILE 60 -2.727 -0.021 3.893 395 1HG2 ILE 60 HG21 ILE 60 -2.614 -2.815 1.527 396 2HG2 ILE 60 HG22 ILE 60 -2.351 -4.085 2.720 397 3HG2 ILE 60 HG23 ILE 60 -1.062 -2.939 2.355 398 1HD1 ILE 60 HD11 ILE 60 -0.692 0.087 4.752 399 2HD1 ILE 60 HD12 ILE 60 -0.072 -0.100 3.110 400 3HD1 ILE 60 HD13 ILE 60 -0.277 -1.516 4.144 401 H LEU 61 HN LEU 61 -4.630 -4.094 2.042 402 HA LEU 61 HA LEU 61 -5.141 -5.997 4.219 403 1HB LEU 61 HB2 LEU 61 -6.970 -5.214 2.023 404 2HB LEU 61 HB1 LEU 61 -6.873 -6.926 2.384 405 HG LEU 61 HG LEU 61 -7.593 -4.776 4.381 406 1HD1 LEU 61 HD11 LEU 61 -9.512 -4.829 3.185 407 2HD1 LEU 61 HD12 LEU 61 -9.802 -6.264 4.168 408 3HD1 LEU 61 HD13 LEU 61 -9.189 -6.432 2.523 409 1HD2 LEU 61 HD21 LEU 61 -6.606 -7.347 4.819 410 2HD2 LEU 61 HD22 LEU 61 -8.350 -7.482 5.045 411 3HD2 LEU 61 HD23 LEU 61 -7.428 -6.310 5.984 412 H ALA 62 HN ALA 62 -4.811 -5.765 0.655 413 HA ALA 62 HA ALA 62 -2.737 -7.812 0.734 414 1HB ALA 62 HB1 ALA 62 -5.448 -8.238 -0.367 415 2HB ALA 62 HB2 ALA 62 -4.310 -9.389 0.333 416 3HB ALA 62 HB3 ALA 62 -4.096 -8.838 -1.329 417 H VAL 63 HN VAL 63 -1.597 -8.054 -1.326 418 HA VAL 63 HA VAL 63 -1.956 -5.823 -3.202 419 HB VAL 63 HB VAL 63 0.750 -6.616 -2.107 420 1HG1 VAL 63 HG11 VAL 63 -0.122 -4.406 -3.965 421 2HG1 VAL 63 HG12 VAL 63 0.896 -5.790 -4.362 422 3HG1 VAL 63 HG13 VAL 63 1.490 -4.545 -3.264 423 1HG2 VAL 63 HG21 VAL 63 -0.847 -4.128 -1.505 424 2HG2 VAL 63 HG22 VAL 63 0.758 -4.525 -0.891 425 3HG2 VAL 63 HG23 VAL 63 -0.636 -5.488 -0.403 426 H ASN 64 HN ASN 64 -2.113 -6.609 -5.200 427 HA ASN 64 HA ASN 64 -1.978 -7.981 -7.004 428 1HB ASN 64 HB2 ASN 64 0.697 -7.687 -5.973 429 2HB ASN 64 HB1 ASN 64 0.511 -9.287 -6.683 430 1HD2 ASN 64 HD21 ASN 64 1.652 -6.415 -7.400 431 2HD2 ASN 64 HD22 ASN 64 1.251 -6.293 -9.076 432 H GLY 65 HN GLY 65 -3.275 -9.057 -4.706 433 1HA GLY 65 HA2 GLY 65 -4.299 -11.072 -4.225 434 2HA GLY 65 HA1 GLY 65 -3.298 -11.829 -5.449 435 H VAL 66 HN VAL 66 -1.496 -10.058 -3.142 436 HA VAL 66 HA VAL 66 -0.617 -12.567 -1.908 437 HB VAL 66 HB VAL 66 0.696 -9.851 -1.712 438 1HG1 VAL 66 HG11 VAL 66 2.249 -12.338 -1.409 439 2HG1 VAL 66 HG12 VAL 66 1.102 -11.987 -0.117 440 3HG1 VAL 66 HG13 VAL 66 2.355 -10.817 -0.526 441 1HG2 VAL 66 HG21 VAL 66 1.581 -10.112 -3.735 442 2HG2 VAL 66 HG22 VAL 66 0.513 -11.493 -3.980 443 3HG2 VAL 66 HG23 VAL 66 2.135 -11.736 -3.335 444 H ASN 67 HN ASN 67 -0.873 -12.996 0.221 445 HA ASN 67 HA ASN 67 -2.727 -11.437 1.726 446 1HB ASN 67 HB2 ASN 67 -1.991 -14.057 1.785 447 2HB ASN 67 HB1 ASN 67 -1.108 -13.443 3.178 448 1HD2 ASN 67 HD21 ASN 67 -3.135 -15.317 3.409 449 2HD2 ASN 67 HD22 ASN 67 -4.469 -14.601 4.241 450 H LEU 68 HN LEU 68 -2.360 -9.809 3.085 451 HA LEU 68 HA LEU 68 0.413 -9.324 3.957 452 1HB LEU 68 HB2 LEU 68 -0.670 -7.613 2.446 453 2HB LEU 68 HB1 LEU 68 -1.777 -7.262 3.760 454 HG LEU 68 HG LEU 68 1.044 -7.133 4.551 455 1HD1 LEU 68 HD11 LEU 68 1.086 -4.759 3.415 456 2HD1 LEU 68 HD12 LEU 68 0.046 -5.558 2.237 457 3HD1 LEU 68 HD13 LEU 68 1.657 -6.194 2.565 458 1HD2 LEU 68 HD21 LEU 68 -0.755 -4.803 4.760 459 2HD2 LEU 68 HD22 LEU 68 0.283 -5.552 5.972 460 3HD2 LEU 68 HD23 LEU 68 -1.284 -6.266 5.591 461 H ARG 69 HN ARG 69 -2.773 -10.023 5.029 462 HA ARG 69 HA ARG 69 -2.765 -8.826 7.564 463 1HB ARG 69 HB2 ARG 69 -4.591 -10.241 6.167 464 2HB ARG 69 HB1 ARG 69 -4.080 -11.466 7.320 465 1HG ARG 69 HG2 ARG 69 -5.603 -10.586 8.679 466 2HG ARG 69 HG1 ARG 69 -4.449 -9.273 8.921 467 1HD ARG 69 HD2 ARG 69 -5.684 -8.518 6.607 468 2HD ARG 69 HD1 ARG 69 -6.998 -9.314 7.471 469 HE ARG 69 HE ARG 69 -5.795 -6.795 8.101 470 1HH1 ARG 69 HH11 ARG 69 -7.456 -9.555 9.484 471 2HH1 ARG 69 HH12 ARG 69 -8.082 -8.661 10.828 472 1HH2 ARG 69 HH21 ARG 69 -6.620 -5.625 9.879 473 2HH2 ARG 69 HH22 ARG 69 -7.608 -6.429 11.052 474 H ASP 70 HN ASP 70 -1.294 -11.812 6.416 475 HA ASP 70 HA ASP 70 -0.471 -12.490 9.148 476 1HB ASP 70 HB2 ASP 70 -0.481 -14.043 6.567 477 2HB ASP 70 HB1 ASP 70 0.418 -14.597 7.975 478 H THR 71 HN THR 71 0.681 -10.383 7.089 479 HA THR 71 HA THR 71 3.486 -11.241 7.308 480 HB THR 71 HB THR 71 2.591 -8.983 5.547 481 HG1 THR 71 HG1 THR 71 2.104 -10.410 3.927 482 1HG2 THR 71 HG21 THR 71 4.724 -9.024 4.967 483 2HG2 THR 71 HG22 THR 71 4.444 -10.613 4.255 484 3HG2 THR 71 HG23 THR 71 5.012 -10.480 5.919 485 H LYS 72 HN LYS 72 5.080 -9.511 7.715 486 HA LYS 72 HA LYS 72 4.097 -7.713 9.801 487 1HB LYS 72 HB2 LYS 72 6.958 -8.363 9.068 488 2HB LYS 72 HB1 LYS 72 6.406 -7.530 10.513 489 1HG LYS 72 HG2 LYS 72 5.949 -10.420 9.801 490 2HG LYS 72 HG1 LYS 72 6.987 -9.783 11.078 491 1HD LYS 72 HD2 LYS 72 4.548 -8.653 11.656 492 2HD LYS 72 HD1 LYS 72 4.104 -10.255 11.062 493 1HE LYS 72 HE2 LYS 72 6.356 -10.143 12.970 494 2HE LYS 72 HE1 LYS 72 4.768 -9.739 13.618 495 1HZ LYS 72 HZ1 LYS 72 5.160 -12.074 13.869 496 2HZ LYS 72 HZ2 LYS 72 5.522 -12.252 12.227 497 3HZ LYS 72 HZ3 LYS 72 3.948 -11.861 12.707 498 H HIS 73 HN HIS 73 5.015 -5.507 9.946 499 HA HIS 73 HA HIS 73 4.509 -3.970 7.688 500 1HB HIS 73 HB2 HIS 73 4.602 -3.151 10.063 501 2HB HIS 73 HB1 HIS 73 6.357 -3.183 9.950 502 HD1 HIS 73 HD1 HIS 73 7.280 -0.942 9.518 503 HD2 HIS 73 HD2 HIS 73 3.552 -1.426 7.750 504 HE1 HIS 73 HE1 HIS 73 6.766 1.261 8.420 505 HE2 HIS 73 HE2 HIS 73 4.442 0.987 7.488 506 H LYS 74 HN LYS 74 7.690 -4.894 9.023 507 HA LYS 74 HA LYS 74 9.231 -3.689 6.996 508 1HB LYS 74 HB2 LYS 74 10.155 -4.376 9.174 509 2HB LYS 74 HB1 LYS 74 9.920 -6.063 8.742 510 1HG LYS 74 HG2 LYS 74 11.732 -6.117 7.393 511 2HG LYS 74 HG1 LYS 74 11.534 -4.443 6.871 512 1HD LYS 74 HD2 LYS 74 13.514 -4.493 8.162 513 2HD LYS 74 HD1 LYS 74 12.281 -3.771 9.197 514 1HE LYS 74 HE2 LYS 74 11.965 -5.873 10.349 515 2HE LYS 74 HE1 LYS 74 13.090 -6.676 9.254 516 1HZ LYS 74 HZ1 LYS 74 14.131 -6.128 11.366 517 2HZ LYS 74 HZ2 LYS 74 13.789 -4.487 11.138 518 3HZ LYS 74 HZ3 LYS 74 14.865 -5.279 10.099 519 H GLU 75 HN GLU 75 7.899 -6.953 7.327 520 HA GLU 75 HA GLU 75 9.134 -8.070 5.046 521 1HB GLU 75 HB2 GLU 75 6.621 -8.811 6.548 522 2HB GLU 75 HB1 GLU 75 7.246 -9.757 5.203 523 1HG GLU 75 HG2 GLU 75 9.445 -9.497 6.807 524 2HG GLU 75 HG1 GLU 75 8.134 -9.617 7.978 525 H ALA 76 HN ALA 76 6.092 -6.328 5.506 526 HA ALA 76 HA ALA 76 5.008 -6.814 2.951 527 1HB ALA 76 HB1 ALA 76 3.306 -5.479 3.585 528 2HB ALA 76 HB2 ALA 76 4.375 -4.221 4.203 529 3HB ALA 76 HB3 ALA 76 4.045 -5.653 5.176 530 H VAL 77 HN VAL 77 7.378 -4.489 4.088 531 HA VAL 77 HA VAL 77 7.281 -2.671 1.941 532 HB VAL 77 HB VAL 77 9.760 -3.428 3.498 533 1HG1 VAL 77 HG11 VAL 77 9.603 -1.813 1.347 534 2HG1 VAL 77 HG12 VAL 77 10.765 -1.595 2.656 535 3HG1 VAL 77 HG13 VAL 77 9.276 -0.652 2.634 536 1HG2 VAL 77 HG21 VAL 77 8.896 -1.204 4.736 537 2HG2 VAL 77 HG22 VAL 77 8.507 -2.835 5.280 538 3HG2 VAL 77 HG23 VAL 77 7.348 -1.932 4.307 539 H THR 78 HN THR 78 9.099 -5.669 2.412 540 HA THR 78 HA THR 78 10.575 -5.482 -0.010 541 HB THR 78 HB THR 78 9.927 -8.021 1.483 542 HG1 THR 78 HG1 THR 78 10.877 -7.075 3.097 543 1HG2 THR 78 HG21 THR 78 11.164 -8.778 -0.250 544 2HG2 THR 78 HG22 THR 78 12.480 -8.282 0.814 545 3HG2 THR 78 HG23 THR 78 11.967 -7.230 -0.505 546 H ILE 79 HN ILE 79 7.500 -6.994 0.877 547 HA ILE 79 HA ILE 79 7.144 -8.420 -1.545 548 HB ILE 79 HB ILE 79 4.977 -7.436 0.317 549 1HG1 ILE 79 HG12 ILE 79 6.134 -10.210 0.345 550 2HG1 ILE 79 HG11 ILE 79 6.913 -8.922 1.256 551 1HG2 ILE 79 HG21 ILE 79 3.924 -8.115 -1.652 552 2HG2 ILE 79 HG22 ILE 79 3.843 -9.542 -0.620 553 3HG2 ILE 79 HG23 ILE 79 5.047 -9.449 -1.905 554 1HD1 ILE 79 HD11 ILE 79 5.272 -8.839 2.802 555 2HD1 ILE 79 HD12 ILE 79 5.056 -10.514 2.293 556 3HD1 ILE 79 HD13 ILE 79 4.006 -9.253 1.646 557 H LEU 80 HN LEU 80 5.920 -5.237 -0.462 558 HA LEU 80 HA LEU 80 4.459 -4.700 -2.815 559 1HB LEU 80 HB2 LEU 80 4.287 -2.434 -2.073 560 2HB LEU 80 HB1 LEU 80 4.113 -3.495 -0.692 561 HG LEU 80 HG LEU 80 6.725 -2.979 -0.458 562 1HD1 LEU 80 HD11 LEU 80 6.980 -0.494 -0.904 563 2HD1 LEU 80 HD12 LEU 80 5.580 -0.644 -1.966 564 3HD1 LEU 80 HD13 LEU 80 7.049 -1.557 -2.310 565 1HD2 LEU 80 HD21 LEU 80 5.069 -2.637 1.272 566 2HD2 LEU 80 HD22 LEU 80 4.474 -1.193 0.453 567 3HD2 LEU 80 HD23 LEU 80 6.099 -1.212 1.140 568 H SER 81 HN SER 81 7.842 -4.186 -1.993 569 HA SER 81 HA SER 81 8.402 -2.544 -4.265 570 1HB SER 81 HB2 SER 81 10.814 -3.091 -3.699 571 2HB SER 81 HB1 SER 81 9.884 -2.316 -2.418 572 HG SER 81 HG SER 81 10.225 -5.128 -2.609 573 H GLN 82 HN GLN 82 8.264 -5.986 -3.700 574 HA GLN 82 HA GLN 82 9.830 -6.847 -5.890 575 1HB GLN 82 HB2 GLN 82 7.593 -8.190 -4.367 576 2HB GLN 82 HB1 GLN 82 8.496 -8.991 -5.646 577 1HG GLN 82 HG2 GLN 82 10.244 -7.780 -3.678 578 2HG GLN 82 HG1 GLN 82 9.127 -8.936 -2.958 579 1HE2 GLN 82 HE21 GLN 82 10.849 -10.339 -2.486 580 2HE2 GLN 82 HE22 GLN 82 11.602 -11.291 -3.715 581 H GLN 83 HN GLN 83 6.536 -5.710 -5.655 582 HA GLN 83 HA GLN 83 5.455 -6.787 -7.997 583 1HB GLN 83 HB2 GLN 83 4.806 -4.039 -6.938 584 2HB GLN 83 HB1 GLN 83 3.762 -5.119 -7.848 585 1HG GLN 83 HG2 GLN 83 4.658 -5.382 -4.993 586 2HG GLN 83 HG1 GLN 83 3.021 -5.161 -5.604 587 1HE2 GLN 83 HE21 GLN 83 4.017 -7.223 -3.837 588 2HE2 GLN 83 HE22 GLN 83 3.729 -8.732 -4.628 589 H ARG 84 HN ARG 84 6.229 -6.630 -9.994 590 HA ARG 84 HA ARG 84 7.683 -4.210 -10.800 591 1HB ARG 84 HB2 ARG 84 8.675 -6.573 -11.008 592 2HB ARG 84 HB1 ARG 84 7.558 -6.790 -12.346 593 1HG ARG 84 HG2 ARG 84 9.649 -6.166 -13.263 594 2HG ARG 84 HG1 ARG 84 8.578 -4.772 -13.417 595 1HD ARG 84 HD2 ARG 84 9.990 -4.707 -10.905 596 2HD ARG 84 HD1 ARG 84 11.120 -4.852 -12.250 597 HE ARG 84 HE ARG 84 9.481 -2.579 -11.592 598 1HH1 ARG 84 HH11 ARG 84 11.221 -4.204 -14.163 599 2HH1 ARG 84 HH12 ARG 84 11.458 -2.758 -15.085 600 1HH2 ARG 84 HH21 ARG 84 9.790 -0.674 -12.824 601 2HH2 ARG 84 HH22 ARG 84 10.649 -0.757 -14.325 602 H GLY 85 HN GLY 85 7.181 -3.079 -12.684 603 1HA GLY 85 HA2 GLY 85 5.853 -2.221 -14.349 604 2HA GLY 85 HA1 GLY 85 5.200 -3.840 -14.547 605 H GLU 86 HN GLU 86 3.220 -4.326 -13.746 606 HA GLU 86 HA GLU 86 1.644 -2.088 -12.741 607 1HB GLU 86 HB2 GLU 86 0.803 -3.455 -14.642 608 2HB GLU 86 HB1 GLU 86 0.743 -4.853 -13.579 609 1HG GLU 86 HG2 GLU 86 -1.102 -4.113 -12.471 610 2HG GLU 86 HG1 GLU 86 -0.713 -2.414 -12.726 611 H ILE 87 HN ILE 87 0.791 -1.978 -10.733 612 HA ILE 87 HA ILE 87 1.189 -4.290 -8.953 613 HB ILE 87 HB ILE 87 1.498 -1.437 -8.032 614 1HG1 ILE 87 HG12 ILE 87 3.675 -3.377 -8.859 615 2HG1 ILE 87 HG11 ILE 87 3.239 -1.894 -9.701 616 1HG2 ILE 87 HG21 ILE 87 1.513 -4.060 -6.775 617 2HG2 ILE 87 HG22 ILE 87 1.344 -2.460 -6.056 618 3HG2 ILE 87 HG23 ILE 87 2.948 -3.111 -6.389 619 1HD1 ILE 87 HD11 ILE 87 4.361 -2.054 -6.914 620 2HD1 ILE 87 HD12 ILE 87 3.962 -0.579 -7.794 621 3HD1 ILE 87 HD13 ILE 87 5.259 -1.626 -8.369 622 H GLU 88 HN GLU 88 -0.650 -4.962 -8.078 623 HA GLU 88 HA GLU 88 -2.971 -3.173 -8.043 624 1HB GLU 88 HB2 GLU 88 -2.574 -6.076 -8.298 625 2HB GLU 88 HB1 GLU 88 -3.894 -5.627 -7.229 626 1HG GLU 88 HG2 GLU 88 -5.208 -5.090 -8.931 627 2HG GLU 88 HG1 GLU 88 -3.959 -4.097 -9.678 628 H PHE 89 HN PHE 89 -3.538 -2.211 -6.201 629 HA PHE 89 HA PHE 89 -2.664 -3.433 -3.665 630 1HB PHE 89 HB2 PHE 89 -2.551 -0.687 -4.674 631 2HB PHE 89 HB1 PHE 89 -3.265 -0.806 -3.069 632 HD1 PHE 89 HD1 PHE 89 -1.876 -0.748 -1.249 633 HD2 PHE 89 HD2 PHE 89 -0.317 -2.060 -4.985 634 HE1 PHE 89 HE1 PHE 89 0.369 -0.887 -0.258 635 HE2 PHE 89 HE2 PHE 89 1.933 -2.204 -3.999 636 HZ PHE 89 HZ PHE 89 2.278 -1.615 -1.633 637 H GLU 90 HN GLU 90 -4.177 -4.020 -2.242 638 HA GLU 90 HA GLU 90 -6.945 -3.158 -2.750 639 1HB GLU 90 HB2 GLU 90 -6.221 -5.673 -2.840 640 2HB GLU 90 HB1 GLU 90 -6.268 -5.559 -1.084 641 1HG GLU 90 HG2 GLU 90 -8.649 -4.436 -1.759 642 2HG GLU 90 HG1 GLU 90 -8.451 -5.633 -3.036 643 H VAL 91 HN VAL 91 -7.656 -1.680 -1.388 644 HA VAL 91 HA VAL 91 -6.917 -1.877 1.445 645 HB VAL 91 HB VAL 91 -6.738 0.637 1.509 646 1HG1 VAL 91 HG11 VAL 91 -4.451 0.391 0.016 647 2HG1 VAL 91 HG12 VAL 91 -4.812 -1.281 0.441 648 3HG1 VAL 91 HG13 VAL 91 -4.625 -0.071 1.709 649 1HG2 VAL 91 HG21 VAL 91 -7.627 1.538 -0.386 650 2HG2 VAL 91 HG22 VAL 91 -7.059 0.224 -1.415 651 3HG2 VAL 91 HG23 VAL 91 -5.935 1.470 -0.877 652 H VAL 92 HN VAL 92 -8.289 -0.365 2.813 653 HA VAL 92 HA VAL 92 -10.994 -0.025 1.706 654 HB VAL 92 HB VAL 92 -10.474 -1.151 4.464 655 1HG1 VAL 92 HG11 VAL 92 -12.608 0.123 4.021 656 2HG1 VAL 92 HG12 VAL 92 -12.812 -1.535 4.583 657 3HG1 VAL 92 HG13 VAL 92 -13.033 -1.149 2.878 658 1HG2 VAL 92 HG21 VAL 92 -11.155 -3.317 3.620 659 2HG2 VAL 92 HG22 VAL 92 -9.748 -2.741 2.726 660 3HG2 VAL 92 HG23 VAL 92 -11.352 -2.651 2.000 661 H TYR 93 HN TYR 93 -11.930 1.884 2.231 662 HA TYR 93 HA TYR 93 -10.424 3.895 3.550 663 1HB TYR 93 HB2 TYR 93 -12.443 3.985 1.779 664 2HB TYR 93 HB1 TYR 93 -13.364 4.252 3.252 665 HD1 TYR 93 HD1 TYR 93 -11.107 5.805 4.704 666 HD2 TYR 93 HD2 TYR 93 -12.819 6.144 0.821 667 HE1 TYR 93 HE1 TYR 93 -10.504 8.184 4.651 668 HE2 TYR 93 HE2 TYR 93 -12.219 8.527 0.760 669 HH TYR 93 HH TYR 93 -11.461 10.304 3.363 670 H VAL 94 HN VAL 94 -10.149 4.152 5.669 671 HA VAL 94 HA VAL 94 -12.278 3.238 7.492 672 HB VAL 94 HB VAL 94 -10.237 1.867 7.662 673 1HG1 VAL 94 HG11 VAL 94 -8.895 4.290 7.377 674 2HG1 VAL 94 HG12 VAL 94 -8.183 2.709 7.690 675 3HG1 VAL 94 HG13 VAL 94 -8.572 3.782 9.034 676 1HG2 VAL 94 HG21 VAL 94 -11.369 3.422 9.882 677 2HG2 VAL 94 HG22 VAL 94 -9.816 2.661 10.221 678 3HG2 VAL 94 HG23 VAL 94 -11.181 1.679 9.691 679 H ALA 95 HN ALA 95 -13.034 4.633 8.997 680 HA ALA 95 HA ALA 95 -11.874 7.341 9.019 681 1HB ALA 95 HB1 ALA 95 -14.589 6.915 10.099 682 2HB ALA 95 HB2 ALA 95 -14.389 6.677 8.363 683 3HB ALA 95 HB3 ALA 95 -13.955 8.221 9.097 Start of MODEL 20 1 HT1 PRO 9 HT2 PRO 9 -15.130 1.312 4.029 2 HT2 PRO 9 HT1 PRO 9 -14.365 1.888 2.690 3 HA PRO 9 HA PRO 9 -15.775 -0.445 3.125 4 1HB PRO 9 HB2 PRO 9 -16.313 0.076 0.399 5 2HB PRO 9 HB1 PRO 9 -17.489 -0.136 1.702 6 1HG PRO 9 HG2 PRO 9 -16.363 2.365 0.554 7 2HG PRO 9 HG1 PRO 9 -17.975 2.058 1.225 8 1HD PRO 9 HD2 PRO 9 -16.177 3.467 2.602 9 2HD PRO 9 HD1 PRO 9 -17.243 2.314 3.428 10 H ILE 10 HN ILE 10 -15.129 -1.878 1.066 11 HA ILE 10 HA ILE 10 -12.258 -1.741 0.954 12 HB ILE 10 HB ILE 10 -13.422 -3.899 1.172 13 1HG1 ILE 10 HG12 ILE 10 -12.115 -4.215 -1.463 14 2HG1 ILE 10 HG11 ILE 10 -11.164 -3.378 -0.240 15 1HG2 ILE 10 HG21 ILE 10 -14.160 -3.936 -1.697 16 2HG2 ILE 10 HG22 ILE 10 -15.209 -3.048 -0.593 17 3HG2 ILE 10 HG23 ILE 10 -14.895 -4.761 -0.323 18 1HD1 ILE 10 HD11 ILE 10 -11.885 -6.196 -0.460 19 2HD1 ILE 10 HD12 ILE 10 -12.090 -5.521 1.156 20 3HD1 ILE 10 HD13 ILE 10 -10.522 -5.428 0.353 21 H ARG 11 HN ARG 11 -11.090 -0.710 -0.508 22 HA ARG 11 HA ARG 11 -12.327 -0.056 -3.103 23 1HB ARG 11 HB2 ARG 11 -11.563 1.767 -1.324 24 2HB ARG 11 HB1 ARG 11 -9.995 1.493 -2.071 25 1HG ARG 11 HG2 ARG 11 -10.560 2.575 -3.950 26 2HG ARG 11 HG1 ARG 11 -12.189 1.896 -3.974 27 1HD ARG 11 HD2 ARG 11 -12.050 3.635 -1.753 28 2HD ARG 11 HD1 ARG 11 -11.325 4.485 -3.116 29 HE ARG 11 HE ARG 11 -13.388 4.604 -4.107 30 1HH1 ARG 11 HH11 ARG 11 -13.536 2.300 -1.470 31 2HH1 ARG 11 HH12 ARG 11 -15.260 2.154 -1.531 32 1HH2 ARG 11 HH21 ARG 11 -15.660 4.407 -4.183 33 2HH2 ARG 11 HH22 ARG 11 -16.467 3.350 -3.073 34 H LYS 12 HN LYS 12 -11.294 -0.605 -4.944 35 HA LYS 12 HA LYS 12 -8.680 -1.938 -4.675 36 1HB LYS 12 HB2 LYS 12 -11.013 -2.490 -6.504 37 2HB LYS 12 HB1 LYS 12 -9.402 -3.111 -6.838 38 1HG LYS 12 HG2 LYS 12 -10.381 -4.880 -5.742 39 2HG LYS 12 HG1 LYS 12 -9.543 -4.058 -4.427 40 1HD LYS 12 HD2 LYS 12 -11.534 -4.190 -3.387 41 2HD LYS 12 HD1 LYS 12 -11.943 -2.790 -4.379 42 1HE LYS 12 HE2 LYS 12 -12.343 -5.473 -5.577 43 2HE LYS 12 HE1 LYS 12 -13.449 -4.991 -4.293 44 1HZ LYS 12 HZ1 LYS 12 -14.178 -4.421 -6.598 45 2HZ LYS 12 HZ2 LYS 12 -12.903 -3.315 -6.678 46 3HZ LYS 12 HZ3 LYS 12 -14.128 -3.107 -5.532 47 H VAL 13 HN VAL 13 -7.101 -0.660 -5.382 48 HA VAL 13 HA VAL 13 -7.481 0.771 -7.926 49 HB VAL 13 HB VAL 13 -5.990 1.936 -5.567 50 1HG1 VAL 13 HG11 VAL 13 -6.505 2.802 -8.363 51 2HG1 VAL 13 HG12 VAL 13 -5.069 3.005 -7.359 52 3HG1 VAL 13 HG13 VAL 13 -6.476 4.035 -7.101 53 1HG2 VAL 13 HG21 VAL 13 -7.821 3.382 -5.141 54 2HG2 VAL 13 HG22 VAL 13 -8.483 1.749 -5.216 55 3HG2 VAL 13 HG23 VAL 13 -8.675 2.842 -6.586 56 H LEU 14 HN LEU 14 -5.707 0.829 -9.284 57 HA LEU 14 HA LEU 14 -3.501 -0.949 -8.538 58 1HB LEU 14 HB2 LEU 14 -4.494 0.075 -11.191 59 2HB LEU 14 HB1 LEU 14 -2.967 -0.768 -11.023 60 HG LEU 14 HG LEU 14 -4.554 -2.572 -9.839 61 1HD1 LEU 14 HD11 LEU 14 -6.679 -1.797 -10.017 62 2HD1 LEU 14 HD12 LEU 14 -6.562 -2.597 -11.584 63 3HD1 LEU 14 HD13 LEU 14 -6.336 -0.852 -11.466 64 1HD2 LEU 14 HD21 LEU 14 -3.041 -3.024 -11.679 65 2HD2 LEU 14 HD22 LEU 14 -4.150 -2.251 -12.811 66 3HD2 LEU 14 HD23 LEU 14 -4.617 -3.745 -11.999 67 H LEU 15 HN LEU 15 -1.428 -0.292 -8.365 68 HA LEU 15 HA LEU 15 -0.897 2.582 -8.729 69 1HB LEU 15 HB2 LEU 15 -0.674 1.276 -6.444 70 2HB LEU 15 HB1 LEU 15 0.879 0.810 -7.111 71 HG LEU 15 HG LEU 15 1.327 3.300 -7.435 72 1HD1 LEU 15 HD11 LEU 15 -0.050 4.884 -6.607 73 2HD1 LEU 15 HD12 LEU 15 -0.590 3.874 -5.267 74 3HD1 LEU 15 HD13 LEU 15 -1.277 3.645 -6.875 75 1HD2 LEU 15 HD21 LEU 15 1.030 2.816 -4.533 76 2HD2 LEU 15 HD22 LEU 15 2.438 3.328 -5.462 77 3HD2 LEU 15 HD23 LEU 15 1.962 1.630 -5.446 78 H LEU 16 HN LEU 16 0.389 3.149 -10.352 79 HA LEU 16 HA LEU 16 2.097 1.111 -11.597 80 1HB LEU 16 HB2 LEU 16 0.317 2.656 -12.807 81 2HB LEU 16 HB1 LEU 16 1.645 3.801 -12.809 82 HG LEU 16 HG LEU 16 1.528 2.585 -14.919 83 1HD1 LEU 16 HD11 LEU 16 3.756 3.156 -13.585 84 2HD1 LEU 16 HD12 LEU 16 3.770 2.362 -15.159 85 3HD1 LEU 16 HD13 LEU 16 3.949 1.406 -13.688 86 1HD2 LEU 16 HD21 LEU 16 0.710 0.448 -13.493 87 2HD2 LEU 16 HD22 LEU 16 2.401 0.024 -13.756 88 3HD2 LEU 16 HD23 LEU 16 1.350 0.349 -15.134 89 H LYS 17 HN LYS 17 4.162 1.108 -10.995 90 HA LYS 17 HA LYS 17 5.483 3.691 -10.491 91 1HB LYS 17 HB2 LYS 17 4.967 2.313 -8.409 92 2HB LYS 17 HB1 LYS 17 6.141 1.149 -9.003 93 1HG LYS 17 HG2 LYS 17 7.270 3.795 -9.010 94 2HG LYS 17 HG1 LYS 17 6.615 3.400 -7.420 95 1HD LYS 17 HD2 LYS 17 8.407 1.519 -8.936 96 2HD LYS 17 HD1 LYS 17 9.042 2.761 -7.857 97 1HE LYS 17 HE2 LYS 17 7.126 0.558 -7.091 98 2HE LYS 17 HE1 LYS 17 8.850 0.601 -6.722 99 1HZ LYS 17 HZ1 LYS 17 6.736 2.403 -5.681 100 2HZ LYS 17 HZ2 LYS 17 8.387 2.708 -5.483 101 3HZ LYS 17 HZ3 LYS 17 7.696 1.322 -4.803 102 H GLU 18 HN GLU 18 7.634 3.874 -11.121 103 HA GLU 18 HA GLU 18 8.551 1.800 -13.000 104 1HB GLU 18 HB2 GLU 18 8.627 4.753 -13.015 105 2HB GLU 18 HB1 GLU 18 10.093 3.962 -13.574 106 1HG GLU 18 HG2 GLU 18 9.111 3.902 -15.562 107 2HG GLU 18 HG1 GLU 18 8.152 2.577 -14.907 108 H ASP 19 HN ASP 19 10.912 1.526 -13.189 109 HA ASP 19 HA ASP 19 12.128 0.865 -10.761 110 1HB ASP 19 HB2 ASP 19 13.512 1.471 -13.387 111 2HB ASP 19 HB1 ASP 19 14.191 0.556 -12.045 112 H HIS 20 HN HIS 20 12.387 3.776 -12.735 113 HA HIS 20 HA HIS 20 14.406 4.976 -11.069 114 1HB HIS 20 HB2 HIS 20 14.131 6.939 -12.524 115 2HB HIS 20 HB1 HIS 20 14.337 5.467 -13.465 116 HD1 HIS 20 HD1 HIS 20 11.892 8.166 -12.712 117 HD2 HIS 20 HD2 HIS 20 12.064 4.660 -14.933 118 HE1 HIS 20 HE1 HIS 20 9.867 8.215 -14.200 119 HE2 HIS 20 HE2 HIS 20 9.900 5.999 -15.397 120 H GLU 21 HN GLU 21 10.909 5.013 -11.242 121 HA GLU 21 HA GLU 21 10.641 7.337 -9.537 122 1HB GLU 21 HB2 GLU 21 8.767 5.507 -10.962 123 2HB GLU 21 HB1 GLU 21 8.155 6.413 -9.585 124 1HG GLU 21 HG2 GLU 21 9.677 7.936 -11.607 125 2HG GLU 21 HG1 GLU 21 8.095 7.330 -12.091 126 H GLY 22 HN GLY 22 9.244 7.207 -7.567 127 1HA GLY 22 HA2 GLY 22 9.997 4.831 -5.980 128 2HA GLY 22 HA1 GLY 22 9.820 6.450 -5.322 129 H LEU 23 HN LEU 23 8.462 5.111 -3.787 130 HA LEU 23 HA LEU 23 5.958 4.081 -4.634 131 1HB LEU 23 HB2 LEU 23 7.293 3.643 -2.448 132 2HB LEU 23 HB1 LEU 23 6.463 5.065 -1.845 133 HG LEU 23 HG LEU 23 4.290 3.894 -2.477 134 1HD1 LEU 23 HD11 LEU 23 5.694 1.305 -2.251 135 2HD1 LEU 23 HD12 LEU 23 5.822 2.144 -3.796 136 3HD1 LEU 23 HD13 LEU 23 4.236 1.736 -3.144 137 1HD2 LEU 23 HD21 LEU 23 5.001 4.130 -0.176 138 2HD2 LEU 23 HD22 LEU 23 6.044 2.716 -0.325 139 3HD2 LEU 23 HD23 LEU 23 4.293 2.535 -0.426 140 H GLY 24 HN GLY 24 6.713 7.075 -2.810 141 1HA GLY 24 HA2 GLY 24 5.761 9.188 -3.239 142 2HA GLY 24 HA1 GLY 24 4.524 8.415 -4.211 143 H ILE 25 HN ILE 25 4.801 6.724 -1.325 144 HA ILE 25 HA ILE 25 2.996 8.471 0.162 145 HB ILE 25 HB ILE 25 1.433 6.565 0.604 146 1HG1 ILE 25 HG12 ILE 25 2.625 5.306 -1.866 147 2HG1 ILE 25 HG11 ILE 25 3.123 4.836 -0.244 148 1HG2 ILE 25 HG21 ILE 25 1.169 8.445 -1.154 149 2HG2 ILE 25 HG22 ILE 25 0.074 7.066 -1.202 150 3HG2 ILE 25 HG23 ILE 25 1.427 7.155 -2.327 151 1HD1 ILE 25 HD11 ILE 25 0.487 4.573 0.038 152 2HD1 ILE 25 HD12 ILE 25 1.524 3.281 -0.568 153 3HD1 ILE 25 HD13 ILE 25 0.616 4.286 -1.697 154 H SER 26 HN SER 26 2.747 7.886 2.392 155 HA SER 26 HA SER 26 4.935 6.174 3.381 156 1HB SER 26 HB2 SER 26 3.652 8.572 4.714 157 2HB SER 26 HB1 SER 26 4.946 7.590 5.401 158 HG SER 26 HG SER 26 6.255 8.228 3.631 159 H ILE 27 HN ILE 27 4.505 4.602 4.862 160 HA ILE 27 HA ILE 27 1.678 4.249 5.633 161 HB ILE 27 HB ILE 27 2.230 1.799 5.799 162 1HG1 ILE 27 HG12 ILE 27 4.603 2.427 4.053 163 2HG1 ILE 27 HG11 ILE 27 4.765 2.315 5.803 164 1HG2 ILE 27 HG21 ILE 27 2.021 3.392 3.322 165 2HG2 ILE 27 HG22 ILE 27 0.979 2.112 3.945 166 3HG2 ILE 27 HG23 ILE 27 2.487 1.702 3.127 167 1HD1 ILE 27 HD11 ILE 27 4.932 0.245 3.974 168 2HD1 ILE 27 HD12 ILE 27 3.353 0.039 4.732 169 3HD1 ILE 27 HD13 ILE 27 4.808 0.103 5.727 170 H THR 28 HN THR 28 1.233 3.273 7.689 171 HA THR 28 HA THR 28 3.438 3.316 9.625 172 HB THR 28 HB THR 28 2.206 4.656 11.194 173 HG1 THR 28 HG1 THR 28 0.129 4.987 11.049 174 1HG2 THR 28 HG21 THR 28 1.931 5.973 8.502 175 2HG2 THR 28 HG22 THR 28 3.393 5.954 9.489 176 3HG2 THR 28 HG23 THR 28 1.946 6.778 10.070 177 H GLY 29 HN GLY 29 2.838 2.291 11.726 178 1HA GLY 29 HA2 GLY 29 1.476 0.822 13.007 179 2HA GLY 29 HA1 GLY 29 0.606 0.388 11.542 180 H GLY 30 HN GLY 30 0.852 -1.846 11.924 181 1HA GLY 30 HA2 GLY 30 2.703 -3.273 10.632 182 2HA GLY 30 HA1 GLY 30 3.545 -2.940 12.134 183 H LYS 31 HN LYS 31 1.921 -5.267 10.606 184 HA LYS 31 HA LYS 31 -0.025 -6.248 12.330 185 1HB LYS 31 HB2 LYS 31 1.303 -7.165 10.030 186 2HB LYS 31 HB1 LYS 31 1.536 -8.420 11.238 187 1HG LYS 31 HG2 LYS 31 -1.093 -7.303 10.283 188 2HG LYS 31 HG1 LYS 31 -0.425 -8.900 9.943 189 1HD LYS 31 HD2 LYS 31 -0.388 -8.810 12.688 190 2HD LYS 31 HD1 LYS 31 -1.864 -7.927 12.296 191 1HE LYS 31 HE2 LYS 31 -2.649 -9.798 10.955 192 2HE LYS 31 HE1 LYS 31 -1.151 -10.673 11.266 193 1HZ LYS 31 HZ1 LYS 31 -2.779 -9.783 13.546 194 2HZ LYS 31 HZ2 LYS 31 -1.754 -11.122 13.414 195 3HZ LYS 31 HZ3 LYS 31 -3.273 -11.145 12.672 196 H GLU 32 HN GLU 32 3.472 -6.417 12.593 197 HA GLU 32 HA GLU 32 3.728 -8.464 14.471 198 1HB GLU 32 HB2 GLU 32 5.823 -7.194 15.188 199 2HB GLU 32 HB1 GLU 32 5.723 -7.677 13.501 200 1HG GLU 32 HG2 GLU 32 5.219 -5.470 12.803 201 2HG GLU 32 HG1 GLU 32 4.959 -4.934 14.463 202 H HIS 33 HN HIS 33 2.727 -5.132 14.874 203 HA HIS 33 HA HIS 33 2.864 -5.244 17.764 204 1HB HIS 33 HB2 HIS 33 1.688 -3.132 15.942 205 2HB HIS 33 HB1 HIS 33 1.923 -2.973 17.678 206 HD1 HIS 33 HD1 HIS 33 4.818 -4.121 17.829 207 HD2 HIS 33 HD2 HIS 33 3.522 -1.286 15.079 208 HE1 HIS 33 HE1 HIS 33 6.887 -2.889 17.109 209 HE2 HIS 33 HE2 HIS 33 6.093 -1.250 15.368 210 H GLY 34 HN GLY 34 0.546 -5.955 15.302 211 1HA GLY 34 HA2 GLY 34 -1.337 -7.353 16.020 212 2HA GLY 34 HA1 GLY 34 -1.524 -6.272 17.388 213 H VAL 35 HN VAL 35 -0.813 -4.806 14.337 214 HA VAL 35 HA VAL 35 -3.623 -4.384 13.696 215 HB VAL 35 HB VAL 35 -3.179 -1.888 13.449 216 1HG1 VAL 35 HG11 VAL 35 -3.256 -3.086 16.215 217 2HG1 VAL 35 HG12 VAL 35 -4.641 -2.772 15.168 218 3HG1 VAL 35 HG13 VAL 35 -3.695 -1.427 15.806 219 1HG2 VAL 35 HG21 VAL 35 -1.167 -2.070 15.605 220 2HG2 VAL 35 HG22 VAL 35 -1.334 -0.893 14.301 221 3HG2 VAL 35 HG23 VAL 35 -0.616 -2.472 13.979 222 HA PRO 36 HA PRO 36 -2.016 -4.748 9.568 223 1HB PRO 36 HB2 PRO 36 -4.288 -3.025 8.761 224 2HB PRO 36 HB1 PRO 36 -3.872 -4.659 8.233 225 1HG PRO 36 HG2 PRO 36 -5.936 -4.229 9.872 226 2HG PRO 36 HG1 PRO 36 -4.896 -5.653 10.058 227 1HD PRO 36 HD2 PRO 36 -4.924 -3.108 11.636 228 2HD PRO 36 HD1 PRO 36 -4.726 -4.782 12.198 229 H ILE 37 HN ILE 37 -1.062 -3.470 7.885 230 HA ILE 37 HA ILE 37 -0.076 -0.923 8.840 231 HB ILE 37 HB ILE 37 0.517 -2.244 6.186 232 1HG1 ILE 37 HG12 ILE 37 2.736 -2.717 7.651 233 2HG1 ILE 37 HG11 ILE 37 1.525 -2.801 8.926 234 1HG2 ILE 37 HG21 ILE 37 1.230 -0.037 6.035 235 2HG2 ILE 37 HG22 ILE 37 2.682 -0.897 6.546 236 3HG2 ILE 37 HG23 ILE 37 1.739 0.018 7.723 237 1HD1 ILE 37 HD11 ILE 37 2.278 -4.905 7.470 238 2HD1 ILE 37 HD12 ILE 37 0.953 -4.321 6.462 239 3HD1 ILE 37 HD13 ILE 37 0.660 -4.735 8.151 240 H LEU 38 HN LEU 38 -0.873 1.026 8.313 241 HA LEU 38 HA LEU 38 -2.643 1.216 5.960 242 1HB LEU 38 HB2 LEU 38 -2.927 2.899 8.440 243 2HB LEU 38 HB1 LEU 38 -4.058 2.739 7.111 244 HG LEU 38 HG LEU 38 -4.033 0.187 7.953 245 1HD1 LEU 38 HD11 LEU 38 -3.893 0.020 10.319 246 2HD1 LEU 38 HD12 LEU 38 -3.695 1.763 10.494 247 3HD1 LEU 38 HD13 LEU 38 -2.411 0.799 9.767 248 1HD2 LEU 38 HD21 LEU 38 -6.133 0.614 8.933 249 2HD2 LEU 38 HD22 LEU 38 -5.943 1.836 7.676 250 3HD2 LEU 38 HD23 LEU 38 -5.684 2.263 9.368 251 H ILE 39 HN ILE 39 -2.849 3.416 5.053 252 HA ILE 39 HA ILE 39 -0.232 4.723 4.954 253 HB ILE 39 HB ILE 39 -2.640 5.288 3.219 254 1HG1 ILE 39 HG12 ILE 39 -0.308 3.572 2.397 255 2HG1 ILE 39 HG11 ILE 39 -1.711 2.869 3.195 256 1HG2 ILE 39 HG21 ILE 39 0.285 5.819 2.723 257 2HG2 ILE 39 HG22 ILE 39 -0.866 7.018 3.312 258 3HG2 ILE 39 HG23 ILE 39 -1.072 6.310 1.711 259 1HD1 ILE 39 HD11 ILE 39 -1.354 3.473 0.461 260 2HD1 ILE 39 HD12 ILE 39 -2.635 4.514 1.081 261 3HD1 ILE 39 HD13 ILE 39 -2.758 2.764 1.258 262 H SER 40 HN SER 40 0.155 6.595 5.955 263 HA SER 40 HA SER 40 -2.134 8.148 6.968 264 1HB SER 40 HB2 SER 40 0.638 7.699 8.033 265 2HB SER 40 HB1 SER 40 -0.293 9.113 8.529 266 HG SER 40 HG SER 40 -0.624 6.454 9.183 267 H GLU 41 HN GLU 41 0.928 8.391 5.210 268 HA GLU 41 HA GLU 41 0.223 11.177 4.545 269 1HB GLU 41 HB2 GLU 41 2.448 10.427 5.936 270 2HB GLU 41 HB1 GLU 41 3.060 10.425 4.289 271 1HG GLU 41 HG2 GLU 41 1.996 12.771 4.130 272 2HG GLU 41 HG1 GLU 41 1.970 12.702 5.892 273 H ILE 42 HN ILE 42 0.547 11.870 2.429 274 HA ILE 42 HA ILE 42 1.351 9.841 0.460 275 HB ILE 42 HB ILE 42 -1.052 11.645 0.106 276 1HG1 ILE 42 HG12 ILE 42 -2.078 9.142 0.038 277 2HG1 ILE 42 HG11 ILE 42 -0.783 8.903 1.207 278 1HG2 ILE 42 HG21 ILE 42 -0.699 9.289 -1.611 279 2HG2 ILE 42 HG22 ILE 42 0.506 10.559 -1.829 280 3HG2 ILE 42 HG23 ILE 42 -1.208 10.928 -2.016 281 1HD1 ILE 42 HD11 ILE 42 -3.330 10.263 1.491 282 2HD1 ILE 42 HD12 ILE 42 -1.969 11.224 2.066 283 3HD1 ILE 42 HD13 ILE 42 -2.247 9.610 2.720 284 H HIS 43 HN HIS 43 3.092 10.657 -0.523 285 HA HIS 43 HA HIS 43 3.675 13.445 -0.605 286 1HB HIS 43 HB2 HIS 43 4.976 10.960 -1.609 287 2HB HIS 43 HB1 HIS 43 5.452 12.484 -2.351 288 HD1 HIS 43 HD1 HIS 43 6.450 14.315 -0.666 289 HD2 HIS 43 HD2 HIS 43 6.125 10.449 0.825 290 HE1 HIS 43 HE1 HIS 43 7.920 14.254 1.372 291 HE2 HIS 43 HE2 HIS 43 7.716 11.903 2.255 292 HA PRO 44 HA PRO 44 1.384 14.377 -4.308 293 1HB PRO 44 HB2 PRO 44 2.221 16.926 -4.624 294 2HB PRO 44 HB1 PRO 44 1.073 16.455 -3.366 295 1HG PRO 44 HG2 PRO 44 4.014 16.963 -3.156 296 2HG PRO 44 HG1 PRO 44 2.712 17.441 -2.051 297 1HD PRO 44 HD2 PRO 44 4.340 15.292 -1.624 298 2HD PRO 44 HD1 PRO 44 2.679 15.399 -1.012 299 H GLY 45 HN GLY 45 1.740 14.769 -6.534 300 1HA GLY 45 HA2 GLY 45 2.926 14.877 -8.514 301 2HA GLY 45 HA1 GLY 45 4.365 15.261 -7.585 302 H GLN 46 HN GLN 46 2.393 12.399 -7.077 303 HA GLN 46 HA GLN 46 4.422 10.730 -8.378 304 1HB GLN 46 HB2 GLN 46 3.914 10.929 -5.524 305 2HB GLN 46 HB1 GLN 46 3.645 9.292 -6.107 306 1HG GLN 46 HG2 GLN 46 5.820 8.922 -6.124 307 2HG GLN 46 HG1 GLN 46 6.049 10.245 -7.266 308 1HE2 GLN 46 HE21 GLN 46 5.374 12.420 -5.722 309 2HE2 GLN 46 HE22 GLN 46 6.516 12.590 -4.437 310 HA PRO 47 HA PRO 47 1.286 8.033 -9.950 311 1HB PRO 47 HB2 PRO 47 1.970 5.930 -7.941 312 2HB PRO 47 HB1 PRO 47 1.799 5.797 -9.695 313 1HG PRO 47 HG2 PRO 47 4.207 5.841 -8.588 314 2HG PRO 47 HG1 PRO 47 3.894 6.715 -10.100 315 1HD PRO 47 HD2 PRO 47 4.201 7.774 -7.326 316 2HD PRO 47 HD1 PRO 47 4.708 8.490 -8.870 317 H ALA 48 HN ALA 48 1.440 8.161 -6.420 318 HA ALA 48 HA ALA 48 -1.129 7.196 -5.837 319 1HB ALA 48 HB1 ALA 48 -0.851 8.477 -3.695 320 2HB ALA 48 HB2 ALA 48 0.661 9.106 -4.345 321 3HB ALA 48 HB3 ALA 48 0.467 7.373 -4.079 322 H ASP 49 HN ASP 49 0.030 10.514 -6.394 323 HA ASP 49 HA ASP 49 -2.506 11.741 -6.000 324 1HB ASP 49 HB2 ASP 49 -0.012 12.717 -6.095 325 2HB ASP 49 HB1 ASP 49 -0.501 13.067 -7.750 326 H ARG 50 HN ARG 50 -0.717 10.720 -8.892 327 HA ARG 50 HA ARG 50 -2.472 11.704 -10.831 328 1HB ARG 50 HB2 ARG 50 -0.535 9.406 -10.796 329 2HB ARG 50 HB1 ARG 50 -1.530 9.725 -12.210 330 1HG ARG 50 HG2 ARG 50 0.295 11.765 -10.964 331 2HG ARG 50 HG1 ARG 50 0.766 10.696 -12.286 332 1HD ARG 50 HD2 ARG 50 -0.597 11.743 -13.802 333 2HD ARG 50 HD1 ARG 50 -1.723 12.304 -12.570 334 HE ARG 50 HE ARG 50 -0.450 14.191 -12.291 335 1HH1 ARG 50 HH11 ARG 50 1.366 11.874 -14.198 336 2HH1 ARG 50 HH12 ARG 50 2.602 13.009 -14.625 337 1HH2 ARG 50 HH21 ARG 50 1.184 15.680 -12.859 338 2HH2 ARG 50 HH22 ARG 50 2.499 15.170 -13.864 339 H CYS 51 HN CYS 51 -2.640 8.779 -8.874 340 HA CYS 51 HA CYS 51 -4.757 7.593 -10.409 341 1HB CYS 51 HB2 CYS 51 -2.977 6.632 -8.567 342 2HB CYS 51 HB1 CYS 51 -4.455 6.723 -7.615 343 HG CYS 51 HG CYS 51 -4.976 5.279 -10.201 344 H GLY 52 HN GLY 52 -4.565 9.802 -7.704 345 1HA GLY 52 HA2 GLY 52 -6.198 11.031 -6.656 346 2HA GLY 52 HA1 GLY 52 -7.299 10.519 -7.922 347 H GLY 53 HN GLY 53 -5.755 7.981 -6.178 348 1HA GLY 53 HA2 GLY 53 -8.256 7.528 -4.667 349 2HA GLY 53 HA1 GLY 53 -7.270 6.240 -5.340 350 H LEU 54 HN LEU 54 -4.744 7.545 -4.477 351 HA LEU 54 HA LEU 54 -4.504 6.299 -1.955 352 1HB LEU 54 HB2 LEU 54 -2.778 7.651 -3.832 353 2HB LEU 54 HB1 LEU 54 -2.405 8.155 -2.195 354 HG LEU 54 HG LEU 54 -1.002 6.285 -2.874 355 1HD1 LEU 54 HD11 LEU 54 -1.267 4.940 -0.952 356 2HD1 LEU 54 HD12 LEU 54 -2.991 5.294 -0.851 357 3HD1 LEU 54 HD13 LEU 54 -1.809 6.557 -0.506 358 1HD2 LEU 54 HD21 LEU 54 -3.326 4.426 -2.915 359 2HD2 LEU 54 HD22 LEU 54 -1.749 4.283 -3.689 360 3HD2 LEU 54 HD23 LEU 54 -2.966 5.366 -4.363 361 H HIS 55 HN HIS 55 -5.868 7.068 -0.414 362 HA HIS 55 HA HIS 55 -5.606 9.907 0.332 363 1HB HIS 55 HB2 HIS 55 -7.868 9.667 1.367 364 2HB HIS 55 HB1 HIS 55 -7.868 9.446 -0.378 365 HD1 HIS 55 HD1 HIS 55 -7.649 7.193 2.694 366 HD2 HIS 55 HD2 HIS 55 -9.302 7.271 -1.117 367 HE1 HIS 55 HE1 HIS 55 -8.936 5.051 2.475 368 HE2 HIS 55 HE2 HIS 55 -9.742 5.029 0.091 369 H VAL 56 HN VAL 56 -5.731 10.414 2.617 370 HA VAL 56 HA VAL 56 -4.062 8.751 4.194 371 HB VAL 56 HB VAL 56 -5.822 11.017 5.154 372 1HG1 VAL 56 HG11 VAL 56 -3.743 9.351 6.422 373 2HG1 VAL 56 HG12 VAL 56 -5.119 10.192 7.134 374 3HG1 VAL 56 HG13 VAL 56 -3.650 11.084 6.737 375 1HG2 VAL 56 HG21 VAL 56 -4.121 11.465 3.242 376 2HG2 VAL 56 HG22 VAL 56 -2.914 11.314 4.518 377 3HG2 VAL 56 HG23 VAL 56 -4.168 12.547 4.632 378 H GLY 57 HN GLY 57 -4.531 7.161 5.612 379 1HA GLY 57 HA2 GLY 57 -5.828 6.041 7.236 380 2HA GLY 57 HA1 GLY 57 -7.249 6.903 6.670 381 H ASP 58 HN ASP 58 -4.887 4.967 4.835 382 HA ASP 58 HA ASP 58 -7.118 3.228 3.998 383 1HB ASP 58 HB2 ASP 58 -5.223 4.673 2.453 384 2HB ASP 58 HB1 ASP 58 -4.847 2.965 2.266 385 H ALA 59 HN ALA 59 -7.059 1.217 4.810 386 HA ALA 59 HA ALA 59 -4.558 0.204 5.921 387 1HB ALA 59 HB1 ALA 59 -6.949 -1.492 6.109 388 2HB ALA 59 HB2 ALA 59 -7.093 0.094 6.865 389 3HB ALA 59 HB3 ALA 59 -5.801 -1.001 7.355 390 H ILE 60 HN ILE 60 -3.277 -1.164 4.864 391 HA ILE 60 HA ILE 60 -3.978 -2.215 2.297 392 HB ILE 60 HB ILE 60 -1.608 -3.018 3.987 393 1HG1 ILE 60 HG12 ILE 60 -1.414 -0.952 1.836 394 2HG1 ILE 60 HG11 ILE 60 -2.010 -0.464 3.418 395 1HG2 ILE 60 HG21 ILE 60 -2.425 -3.454 1.173 396 2HG2 ILE 60 HG22 ILE 60 -1.534 -4.505 2.274 397 3HG2 ILE 60 HG23 ILE 60 -0.714 -3.158 1.485 398 1HD1 ILE 60 HD11 ILE 60 0.683 -1.514 2.665 399 2HD1 ILE 60 HD12 ILE 60 0.106 -1.598 4.330 400 3HD1 ILE 60 HD13 ILE 60 0.263 -0.035 3.527 401 H LEU 61 HN LEU 61 -4.581 -4.232 1.700 402 HA LEU 61 HA LEU 61 -4.860 -6.264 3.817 403 1HB LEU 61 HB2 LEU 61 -6.815 -5.519 1.648 404 2HB LEU 61 HB1 LEU 61 -6.907 -7.035 2.523 405 HG LEU 61 HG LEU 61 -6.983 -4.358 3.907 406 1HD1 LEU 61 HD11 LEU 61 -9.418 -4.636 4.016 407 2HD1 LEU 61 HD12 LEU 61 -9.297 -6.039 2.954 408 3HD1 LEU 61 HD13 LEU 61 -8.847 -4.440 2.359 409 1HD2 LEU 61 HD21 LEU 61 -6.411 -6.557 5.116 410 2HD2 LEU 61 HD22 LEU 61 -8.111 -6.961 4.877 411 3HD2 LEU 61 HD23 LEU 61 -7.667 -5.526 5.802 412 H ALA 62 HN ALA 62 -4.838 -5.817 0.263 413 HA ALA 62 HA ALA 62 -3.099 -8.177 0.063 414 1HB ALA 62 HB1 ALA 62 -5.094 -7.881 -2.095 415 2HB ALA 62 HB2 ALA 62 -5.706 -8.427 -0.533 416 3HB ALA 62 HB3 ALA 62 -4.431 -9.334 -1.346 417 H VAL 63 HN VAL 63 -1.620 -8.160 -1.614 418 HA VAL 63 HA VAL 63 -1.534 -5.747 -3.300 419 HB VAL 63 HB VAL 63 0.917 -6.983 -2.033 420 1HG1 VAL 63 HG11 VAL 63 1.434 -5.881 -4.092 421 2HG1 VAL 63 HG12 VAL 63 1.966 -4.840 -2.772 422 3HG1 VAL 63 HG13 VAL 63 0.476 -4.471 -3.640 423 1HG2 VAL 63 HG21 VAL 63 -0.687 -5.870 -0.406 424 2HG2 VAL 63 HG22 VAL 63 -0.321 -4.359 -1.240 425 3HG2 VAL 63 HG23 VAL 63 0.965 -5.253 -0.431 426 H ASN 64 HN ASN 64 -1.645 -6.357 -5.353 427 HA ASN 64 HA ASN 64 -1.423 -7.525 -7.289 428 1HB ASN 64 HB2 ASN 64 1.089 -7.272 -6.332 429 2HB ASN 64 HB1 ASN 64 0.968 -9.027 -6.380 430 1HD2 ASN 64 HD21 ASN 64 1.965 -6.447 -8.088 431 2HD2 ASN 64 HD22 ASN 64 1.796 -7.059 -9.695 432 H GLY 65 HN GLY 65 -3.035 -8.673 -5.200 433 1HA GLY 65 HA2 GLY 65 -4.351 -10.605 -5.222 434 2HA GLY 65 HA1 GLY 65 -3.137 -11.399 -6.208 435 H VAL 66 HN VAL 66 -1.138 -10.332 -4.020 436 HA VAL 66 HA VAL 66 -1.296 -12.750 -2.417 437 HB VAL 66 HB VAL 66 0.825 -10.601 -2.299 438 1HG1 VAL 66 HG11 VAL 66 2.101 -12.055 -1.068 439 2HG1 VAL 66 HG12 VAL 66 1.293 -13.484 -1.711 440 3HG1 VAL 66 HG13 VAL 66 0.489 -12.489 -0.498 441 1HG2 VAL 66 HG21 VAL 66 0.357 -12.762 -4.267 442 2HG2 VAL 66 HG22 VAL 66 2.014 -12.544 -3.705 443 3HG2 VAL 66 HG23 VAL 66 1.157 -11.202 -4.462 444 H ASN 67 HN ASN 67 -1.819 -12.849 -0.300 445 HA ASN 67 HA ASN 67 -3.171 -10.647 0.895 446 1HB ASN 67 HB2 ASN 67 -3.081 -13.425 1.299 447 2HB ASN 67 HB1 ASN 67 -2.479 -12.724 2.797 448 1HD2 ASN 67 HD21 ASN 67 -4.937 -14.163 2.381 449 2HD2 ASN 67 HD22 ASN 67 -6.220 -13.085 2.805 450 H LEU 68 HN LEU 68 -2.478 -9.142 2.288 451 HA LEU 68 HA LEU 68 0.265 -9.394 3.340 452 1HB LEU 68 HB2 LEU 68 -0.221 -7.609 1.566 453 2HB LEU 68 HB1 LEU 68 -1.127 -6.780 2.817 454 HG LEU 68 HG LEU 68 1.203 -7.145 4.126 455 1HD1 LEU 68 HD11 LEU 68 2.998 -7.455 2.852 456 2HD1 LEU 68 HD12 LEU 68 2.445 -6.296 1.644 457 3HD1 LEU 68 HD13 LEU 68 1.885 -7.967 1.583 458 1HD2 LEU 68 HD21 LEU 68 0.823 -4.870 2.194 459 2HD2 LEU 68 HD22 LEU 68 1.619 -4.846 3.767 460 3HD2 LEU 68 HD23 LEU 68 -0.131 -5.042 3.667 461 H ARG 69 HN ARG 69 -2.860 -9.586 4.331 462 HA ARG 69 HA ARG 69 -2.844 -7.900 6.627 463 1HB ARG 69 HB2 ARG 69 -4.807 -9.244 7.363 464 2HB ARG 69 HB1 ARG 69 -4.970 -8.578 5.745 465 1HG ARG 69 HG2 ARG 69 -4.840 -10.637 4.738 466 2HG ARG 69 HG1 ARG 69 -3.927 -11.352 6.067 467 1HD ARG 69 HD2 ARG 69 -5.873 -11.497 7.433 468 2HD ARG 69 HD1 ARG 69 -6.807 -10.503 6.316 469 HE ARG 69 HE ARG 69 -5.815 -12.901 5.104 470 1HH1 ARG 69 HH11 ARG 69 -8.400 -11.628 7.102 471 2HH1 ARG 69 HH12 ARG 69 -9.534 -12.843 6.616 472 1HH2 ARG 69 HH21 ARG 69 -7.314 -14.493 4.476 473 2HH2 ARG 69 HH22 ARG 69 -8.919 -14.467 5.127 474 H ASP 70 HN ASP 70 -1.681 -11.140 6.011 475 HA ASP 70 HA ASP 70 -1.270 -11.590 8.874 476 1HB ASP 70 HB2 ASP 70 -2.108 -13.294 6.899 477 2HB ASP 70 HB1 ASP 70 -0.403 -13.710 7.037 478 H THR 71 HN THR 71 0.445 -9.954 6.696 479 HA THR 71 HA THR 71 3.033 -11.131 7.446 480 HB THR 71 HB THR 71 3.841 -9.423 5.633 481 HG1 THR 71 HG1 THR 71 2.233 -9.071 4.056 482 1HG2 THR 71 HG21 THR 71 3.482 -11.015 3.846 483 2HG2 THR 71 HG22 THR 71 2.266 -11.849 4.815 484 3HG2 THR 71 HG23 THR 71 3.954 -11.841 5.330 485 H LYS 72 HN LYS 72 4.664 -9.885 8.361 486 HA LYS 72 HA LYS 72 3.791 -7.801 10.108 487 1HB LYS 72 HB2 LYS 72 6.650 -8.559 9.487 488 2HB LYS 72 HB1 LYS 72 6.050 -7.753 10.929 489 1HG LYS 72 HG2 LYS 72 5.291 -10.557 10.148 490 2HG LYS 72 HG1 LYS 72 6.636 -10.162 11.219 491 1HD LYS 72 HD2 LYS 72 4.466 -8.737 12.238 492 2HD LYS 72 HD1 LYS 72 3.803 -10.309 11.787 493 1HE LYS 72 HE2 LYS 72 6.246 -9.889 13.510 494 2HE LYS 72 HE1 LYS 72 4.627 -10.230 14.119 495 1HZ LYS 72 HZ1 LYS 72 6.434 -12.114 13.645 496 2HZ LYS 72 HZ2 LYS 72 5.663 -12.093 12.140 497 3HZ LYS 72 HZ3 LYS 72 4.769 -12.390 13.544 498 H HIS 73 HN HIS 73 4.829 -5.644 10.248 499 HA HIS 73 HA HIS 73 4.494 -4.134 7.940 500 1HB HIS 73 HB2 HIS 73 4.588 -3.289 10.334 501 2HB HIS 73 HB1 HIS 73 6.341 -3.357 10.204 502 HD1 HIS 73 HD1 HIS 73 7.495 -1.545 8.790 503 HD2 HIS 73 HD2 HIS 73 3.355 -1.215 8.884 504 HE1 HIS 73 HE1 HIS 73 6.980 0.728 7.843 505 HE2 HIS 73 HE2 HIS 73 4.472 0.936 7.984 506 H LYS 74 HN LYS 74 7.552 -5.244 9.403 507 HA LYS 74 HA LYS 74 9.274 -4.159 7.477 508 1HB LYS 74 HB2 LYS 74 9.654 -6.647 9.155 509 2HB LYS 74 HB1 LYS 74 10.927 -5.813 8.276 510 1HG LYS 74 HG2 LYS 74 9.367 -4.167 10.163 511 2HG LYS 74 HG1 LYS 74 10.399 -5.410 10.873 512 1HD LYS 74 HD2 LYS 74 11.664 -3.837 8.740 513 2HD LYS 74 HD1 LYS 74 11.225 -2.909 10.175 514 1HE LYS 74 HE2 LYS 74 12.550 -5.501 10.663 515 2HE LYS 74 HE1 LYS 74 13.545 -4.260 9.904 516 1HZ LYS 74 HZ1 LYS 74 12.482 -2.828 11.842 517 2HZ LYS 74 HZ2 LYS 74 13.893 -3.732 12.064 518 3HZ LYS 74 HZ3 LYS 74 12.409 -4.345 12.591 519 H GLU 75 HN GLU 75 7.672 -7.323 7.625 520 HA GLU 75 HA GLU 75 8.887 -8.380 5.291 521 1HB GLU 75 HB2 GLU 75 6.287 -9.105 6.654 522 2HB GLU 75 HB1 GLU 75 7.036 -10.045 5.371 523 1HG GLU 75 HG2 GLU 75 9.025 -9.676 7.312 524 2HG GLU 75 HG1 GLU 75 7.550 -10.070 8.192 525 H ALA 76 HN ALA 76 5.934 -6.524 5.862 526 HA ALA 76 HA ALA 76 4.808 -6.804 3.292 527 1HB ALA 76 HB1 ALA 76 3.586 -4.674 3.891 528 2HB ALA 76 HB2 ALA 76 4.484 -4.691 5.408 529 3HB ALA 76 HB3 ALA 76 3.394 -6.021 5.013 530 H VAL 77 HN VAL 77 7.295 -4.658 4.547 531 HA VAL 77 HA VAL 77 7.276 -2.735 2.489 532 HB VAL 77 HB VAL 77 9.723 -3.658 4.011 533 1HG1 VAL 77 HG11 VAL 77 9.624 -1.936 1.940 534 2HG1 VAL 77 HG12 VAL 77 10.791 -1.818 3.256 535 3HG1 VAL 77 HG13 VAL 77 9.331 -0.828 3.281 536 1HG2 VAL 77 HG21 VAL 77 7.350 -2.169 4.907 537 2HG2 VAL 77 HG22 VAL 77 8.897 -1.428 5.317 538 3HG2 VAL 77 HG23 VAL 77 8.542 -3.075 5.837 539 H THR 78 HN THR 78 8.927 -5.843 2.813 540 HA THR 78 HA THR 78 10.467 -5.660 0.448 541 HB THR 78 HB THR 78 9.469 -8.110 1.922 542 HG1 THR 78 HG1 THR 78 10.759 -7.070 3.311 543 1HG2 THR 78 HG21 THR 78 10.284 -9.210 0.154 544 2HG2 THR 78 HG22 THR 78 11.849 -8.832 0.874 545 3HG2 THR 78 HG23 THR 78 11.205 -7.823 -0.422 546 H ILE 79 HN ILE 79 7.237 -6.941 1.141 547 HA ILE 79 HA ILE 79 6.713 -8.145 -1.329 548 HB ILE 79 HB ILE 79 4.682 -6.733 0.409 549 1HG1 ILE 79 HG12 ILE 79 5.891 -8.325 1.776 550 2HG1 ILE 79 HG11 ILE 79 4.300 -8.982 1.412 551 1HG2 ILE 79 HG21 ILE 79 3.545 -7.202 -1.530 552 2HG2 ILE 79 HG22 ILE 79 3.267 -8.682 -0.614 553 3HG2 ILE 79 HG23 ILE 79 4.501 -8.643 -1.873 554 1HD1 ILE 79 HD11 ILE 79 5.335 -10.351 -0.374 555 2HD1 ILE 79 HD12 ILE 79 5.928 -10.723 1.244 556 3HD1 ILE 79 HD13 ILE 79 6.913 -9.760 0.143 557 H LEU 80 HN LEU 80 6.226 -4.807 -0.244 558 HA LEU 80 HA LEU 80 4.950 -3.833 -2.545 559 1HB LEU 80 HB2 LEU 80 6.785 -2.345 -0.663 560 2HB LEU 80 HB1 LEU 80 5.659 -1.611 -1.786 561 HG LEU 80 HG LEU 80 4.795 -3.402 0.481 562 1HD1 LEU 80 HD11 LEU 80 4.357 -0.489 0.638 563 2HD1 LEU 80 HD12 LEU 80 6.007 -1.048 0.905 564 3HD1 LEU 80 HD13 LEU 80 4.696 -1.660 1.912 565 1HD2 LEU 80 HD21 LEU 80 2.695 -1.843 -0.032 566 2HD2 LEU 80 HD22 LEU 80 2.972 -3.368 -0.874 567 3HD2 LEU 80 HD23 LEU 80 3.427 -1.845 -1.637 568 H SER 81 HN SER 81 8.397 -4.018 -1.690 569 HA SER 81 HA SER 81 9.353 -2.714 -4.014 570 1HB SER 81 HB2 SER 81 10.650 -3.138 -1.867 571 2HB SER 81 HB1 SER 81 10.874 -4.792 -2.434 572 HG SER 81 HG SER 81 12.015 -4.020 -4.187 573 H GLN 82 HN GLN 82 8.451 -6.043 -3.342 574 HA GLN 82 HA GLN 82 9.694 -7.246 -5.578 575 1HB GLN 82 HB2 GLN 82 7.185 -8.138 -4.141 576 2HB GLN 82 HB1 GLN 82 8.181 -9.129 -5.196 577 1HG GLN 82 HG2 GLN 82 9.770 -7.972 -3.095 578 2HG GLN 82 HG1 GLN 82 8.391 -8.845 -2.432 579 1HE2 GLN 82 HE21 GLN 82 11.508 -9.198 -3.111 580 2HE2 GLN 82 HE22 GLN 82 11.568 -10.878 -3.508 581 H GLN 83 HN GLN 83 6.726 -5.440 -5.222 582 HA GLN 83 HA GLN 83 5.388 -6.306 -7.539 583 1HB GLN 83 HB2 GLN 83 5.227 -3.528 -6.366 584 2HB GLN 83 HB1 GLN 83 4.007 -4.364 -7.312 585 1HG GLN 83 HG2 GLN 83 4.872 -4.956 -4.498 586 2HG GLN 83 HG1 GLN 83 3.300 -4.383 -5.051 587 1HE2 GLN 83 HE21 GLN 83 3.954 -6.736 -3.465 588 2HE2 GLN 83 HE22 GLN 83 3.349 -8.093 -4.345 589 H ARG 84 HN ARG 84 5.527 -5.762 -9.652 590 HA ARG 84 HA ARG 84 7.346 -3.589 -10.418 591 1HB ARG 84 HB2 ARG 84 8.090 -5.095 -12.346 592 2HB ARG 84 HB1 ARG 84 8.742 -5.448 -10.753 593 1HG ARG 84 HG2 ARG 84 8.197 -7.554 -11.382 594 2HG ARG 84 HG1 ARG 84 6.651 -7.084 -10.676 595 1HD ARG 84 HD2 ARG 84 6.297 -8.157 -12.819 596 2HD ARG 84 HD1 ARG 84 5.839 -6.459 -12.910 597 HE ARG 84 HE ARG 84 7.519 -6.111 -14.429 598 1HH1 ARG 84 HH11 ARG 84 8.010 -9.223 -12.898 599 2HH1 ARG 84 HH12 ARG 84 9.270 -9.699 -13.985 600 1HH2 ARG 84 HH21 ARG 84 9.184 -6.743 -15.860 601 2HH2 ARG 84 HH22 ARG 84 9.939 -8.291 -15.667 602 H GLY 85 HN GLY 85 6.827 -2.483 -12.287 603 1HA GLY 85 HA2 GLY 85 5.434 -1.589 -13.873 604 2HA GLY 85 HA1 GLY 85 5.040 -3.254 -14.273 605 H GLU 86 HN GLU 86 3.056 -4.013 -13.815 606 HA GLU 86 HA GLU 86 1.106 -2.150 -12.781 607 1HB GLU 86 HB2 GLU 86 0.682 -3.668 -14.751 608 2HB GLU 86 HB1 GLU 86 0.666 -5.019 -13.625 609 1HG GLU 86 HG2 GLU 86 -1.137 -3.515 -12.408 610 2HG GLU 86 HG1 GLU 86 -1.327 -2.859 -14.032 611 H ILE 87 HN ILE 87 0.659 -1.969 -10.702 612 HA ILE 87 HA ILE 87 1.016 -4.328 -8.967 613 HB ILE 87 HB ILE 87 1.206 -1.479 -8.010 614 1HG1 ILE 87 HG12 ILE 87 3.483 -3.280 -8.879 615 2HG1 ILE 87 HG11 ILE 87 2.933 -1.844 -9.735 616 1HG2 ILE 87 HG21 ILE 87 2.726 -2.920 -6.342 617 2HG2 ILE 87 HG22 ILE 87 1.589 -4.169 -6.845 618 3HG2 ILE 87 HG23 ILE 87 0.996 -2.682 -6.105 619 1HD1 ILE 87 HD11 ILE 87 4.930 -1.373 -8.461 620 2HD1 ILE 87 HD12 ILE 87 4.138 -1.912 -6.980 621 3HD1 ILE 87 HD13 ILE 87 3.561 -0.469 -7.814 622 H GLU 88 HN GLU 88 -0.791 -5.058 -8.044 623 HA GLU 88 HA GLU 88 -3.197 -3.403 -8.119 624 1HB GLU 88 HB2 GLU 88 -2.625 -6.253 -8.208 625 2HB GLU 88 HB1 GLU 88 -3.862 -5.879 -7.017 626 1HG GLU 88 HG2 GLU 88 -5.393 -5.443 -8.573 627 2HG GLU 88 HG1 GLU 88 -4.266 -4.512 -9.556 628 H PHE 89 HN PHE 89 -3.834 -2.297 -6.388 629 HA PHE 89 HA PHE 89 -2.868 -3.166 -3.745 630 1HB PHE 89 HB2 PHE 89 -2.920 -0.572 -5.052 631 2HB PHE 89 HB1 PHE 89 -3.754 -0.527 -3.502 632 HD1 PHE 89 HD1 PHE 89 -0.543 -1.317 -5.145 633 HD2 PHE 89 HD2 PHE 89 -2.563 -0.594 -1.470 634 HE1 PHE 89 HE1 PHE 89 1.624 -1.157 -3.989 635 HE2 PHE 89 HE2 PHE 89 -0.402 -0.433 -0.309 636 HZ PHE 89 HZ PHE 89 1.695 -0.712 -1.568 637 H GLU 90 HN GLU 90 -4.305 -3.720 -2.246 638 HA GLU 90 HA GLU 90 -7.130 -2.998 -2.674 639 1HB GLU 90 HB2 GLU 90 -5.868 -5.619 -2.030 640 2HB GLU 90 HB1 GLU 90 -7.399 -5.245 -1.247 641 1HG GLU 90 HG2 GLU 90 -7.625 -4.604 -4.008 642 2HG GLU 90 HG1 GLU 90 -6.943 -6.222 -3.862 643 H VAL 91 HN VAL 91 -7.761 -1.618 -1.171 644 HA VAL 91 HA VAL 91 -6.920 -2.027 1.614 645 HB VAL 91 HB VAL 91 -6.669 0.466 1.851 646 1HG1 VAL 91 HG11 VAL 91 -4.550 -0.250 1.864 647 2HG1 VAL 91 HG12 VAL 91 -4.480 0.312 0.195 648 3HG1 VAL 91 HG13 VAL 91 -4.830 -1.380 0.541 649 1HG2 VAL 91 HG21 VAL 91 -6.868 0.317 -1.146 650 2HG2 VAL 91 HG22 VAL 91 -6.120 1.674 -0.305 651 3HG2 VAL 91 HG23 VAL 91 -7.822 1.299 -0.035 652 H VAL 92 HN VAL 92 -8.222 -0.524 3.108 653 HA VAL 92 HA VAL 92 -10.947 -0.109 2.076 654 HB VAL 92 HB VAL 92 -11.856 -0.880 4.269 655 1HG1 VAL 92 HG11 VAL 92 -10.605 -2.601 2.238 656 2HG1 VAL 92 HG12 VAL 92 -12.270 -2.546 2.817 657 3HG1 VAL 92 HG13 VAL 92 -11.041 -3.401 3.748 658 1HG2 VAL 92 HG21 VAL 92 -9.889 -0.665 5.657 659 2HG2 VAL 92 HG22 VAL 92 -9.041 -1.879 4.700 660 3HG2 VAL 92 HG23 VAL 92 -10.439 -2.340 5.672 661 H TYR 93 HN TYR 93 -11.876 1.790 2.655 662 HA TYR 93 HA TYR 93 -10.284 3.772 3.947 663 1HB TYR 93 HB2 TYR 93 -12.349 3.889 2.191 664 2HB TYR 93 HB1 TYR 93 -13.194 4.272 3.685 665 HD1 TYR 93 HD1 TYR 93 -12.472 5.980 1.096 666 HD2 TYR 93 HD2 TYR 93 -10.930 5.770 5.059 667 HE1 TYR 93 HE1 TYR 93 -11.711 8.309 0.919 668 HE2 TYR 93 HE2 TYR 93 -10.163 8.095 4.889 669 HH TYR 93 HH TYR 93 -10.665 10.121 3.604 670 H VAL 94 HN VAL 94 -9.964 3.930 6.061 671 HA VAL 94 HA VAL 94 -12.193 3.295 7.879 672 HB VAL 94 HB VAL 94 -10.526 1.500 7.982 673 1HG1 VAL 94 HG11 VAL 94 -8.300 1.778 8.206 674 2HG1 VAL 94 HG12 VAL 94 -8.471 3.179 9.262 675 3HG1 VAL 94 HG13 VAL 94 -8.645 3.365 7.518 676 1HG2 VAL 94 HG21 VAL 94 -11.736 2.674 10.065 677 2HG2 VAL 94 HG22 VAL 94 -10.054 2.870 10.558 678 3HG2 VAL 94 HG23 VAL 94 -10.694 1.261 10.225 679 H ALA 95 HN ALA 95 -12.788 4.950 9.091 680 HA ALA 95 HA ALA 95 -11.132 7.331 9.218 681 1HB ALA 95 HB1 ALA 95 -13.253 8.136 10.529 682 2HB ALA 95 HB2 ALA 95 -13.981 6.695 9.820 683 3HB ALA 95 HB3 ALA 95 -13.302 7.944 8.777
Contact the webmaster for help, if required. Tuesday, May 14, 2024 8:34:11 AM GMT (wattos1)