NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
564938 | 2m19 | 18850 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -13 HT1 GLY -13 -7.555 -17.084 -13.857 2 H2 GLY -13 HT2 GLY -13 -9.022 -17.163 -13.031 3 H3 GLY -13 HT3 GLY -13 -7.621 -17.784 -12.322 4 HA2 GLY -13 HA1 GLY -13 -8.178 -15.679 -11.330 5 HA3 GLY -13 HA2 GLY -13 -6.657 -15.586 -12.210 6 H GLY -12 HN GLY -12 -8.302 -13.345 -11.553 7 HA2 GLY -12 HA2 GLY -12 -9.737 -12.492 -13.951 8 HA3 GLY -12 HA1 GLY -12 -9.519 -11.587 -12.459 9 H GLY -11 HN GLY -11 -9.214 -10.482 -15.041 10 HA2 GLY -11 HA2 GLY -11 -6.361 -10.058 -15.539 11 HA3 GLY -11 HA1 GLY -11 -7.706 -9.359 -16.422 12 H ARG -10 HN ARG -10 -6.061 -7.518 -16.152 13 HA ARG -10 HA ARG -10 -5.366 -5.546 -15.327 14 HB2 ARG -10 HB2 ARG -10 -7.934 -5.229 -15.413 15 HB3 ARG -10 HB1 ARG -10 -7.914 -5.411 -13.667 16 HG2 ARG -10 HG2 ARG -10 -6.319 -3.277 -15.136 17 HG3 ARG -10 HG1 ARG -10 -7.973 -3.029 -14.587 18 HD2 ARG -10 HD2 ARG -10 -5.588 -3.637 -12.795 19 HD3 ARG -10 HD1 ARG -10 -6.323 -2.049 -13.029 20 HE ARG -10 HE ARG -10 -8.439 -3.262 -12.127 21 HH11 ARG -10 HH11 ARG -10 -5.180 -3.893 -10.988 22 HH12 ARG -10 HH12 ARG -10 -5.690 -4.304 -9.389 23 HH21 ARG -10 HH21 ARG -10 -9.082 -3.794 -9.998 24 HH22 ARG -10 HH22 ARG -10 -7.882 -4.239 -8.827 25 H ASP -9 HN ASP -9 -3.599 -6.373 -14.258 26 HA ASP -9 HA ASP -9 -3.718 -6.418 -11.298 27 HB2 ASP -9 HB2 ASP -9 -2.249 -8.348 -13.155 28 HB3 ASP -9 HB1 ASP -9 -1.865 -8.185 -11.445 29 H TYR -8 HN TYR -8 -3.164 -4.159 -12.792 30 HA TYR -8 HA TYR -8 -0.317 -3.936 -13.355 31 HB2 TYR -8 HB2 TYR -8 -2.682 -2.118 -13.855 32 HB3 TYR -8 HB1 TYR -8 -1.027 -1.637 -14.221 33 HD1 TYR -8 HD2 TYR -8 -2.691 -4.993 -14.749 34 HD2 TYR -8 HD1 TYR -8 -0.939 -1.553 -16.602 35 HE1 TYR -8 HE2 TYR -8 -2.848 -6.085 -16.936 36 HE2 TYR -8 HE1 TYR -8 -1.086 -2.666 -18.790 37 HH TYR -8 HH TYR -8 -1.249 -4.960 -19.709 38 H LYS -7 HN LYS -7 0.154 -4.303 -11.114 39 HA LYS -7 HA LYS -7 0.648 -1.894 -9.596 40 HB2 LYS -7 HB2 LYS -7 -0.307 -3.100 -7.465 41 HB3 LYS -7 HB1 LYS -7 -1.422 -2.279 -8.539 42 HG2 LYS -7 HG2 LYS -7 -2.414 -4.367 -7.820 43 HG3 LYS -7 HG1 LYS -7 -2.070 -4.459 -9.547 44 HD2 LYS -7 HD2 LYS -7 -0.176 -5.898 -9.174 45 HD3 LYS -7 HD1 LYS -7 -0.242 -5.655 -7.424 46 HE2 LYS -7 HE2 LYS -7 -2.501 -6.808 -7.442 47 HE3 LYS -7 HE1 LYS -7 -2.240 -7.169 -9.151 48 HZ1 LYS -7 HZ1 LYS -7 -0.331 -8.494 -8.579 49 HZ2 LYS -7 HZ2 LYS -7 -1.638 -9.015 -7.644 50 HZ3 LYS -7 HZ3 LYS -7 -0.435 -8.048 -6.948 51 H ASP -6 HN ASP -6 1.895 -2.685 -7.447 52 HA ASP -6 HA ASP -6 3.801 -4.822 -8.232 53 HB2 ASP -6 HB2 ASP -6 4.701 -2.522 -7.605 54 HB3 ASP -6 HB1 ASP -6 4.099 -2.778 -5.972 55 H ASP -5 HN ASP -5 4.588 -6.157 -6.246 56 HA ASP -5 HA ASP -5 4.253 -7.697 -4.639 57 HB2 ASP -5 HB2 ASP -5 3.478 -5.984 -3.111 58 HB3 ASP -5 HB1 ASP -5 1.885 -5.947 -3.853 59 H ASP -4 HN ASP -4 3.146 -9.682 -4.274 60 HA ASP -4 HA ASP -4 1.906 -11.530 -4.781 61 HB2 ASP -4 HB2 ASP -4 -0.036 -10.248 -4.139 62 HB3 ASP -4 HB1 ASP -4 -0.037 -9.359 -5.651 63 H ASP -3 HN ASP -3 0.763 -12.680 -6.899 64 HA ASP -3 HA ASP -3 2.487 -12.389 -9.177 65 HB2 ASP -3 HB2 ASP -3 -0.199 -13.844 -8.980 66 HB3 ASP -3 HB1 ASP -3 0.951 -14.001 -10.304 67 H LYS -2 HN LYS -2 2.188 -11.255 -11.022 68 HA LYS -2 HA LYS -2 -0.245 -10.061 -11.918 69 HB2 LYS -2 HB2 LYS -2 0.137 -7.747 -11.518 70 HB3 LYS -2 HB1 LYS -2 0.269 -8.553 -9.973 71 HG2 LYS -2 HG2 LYS -2 2.633 -7.607 -11.623 72 HG3 LYS -2 HG1 LYS -2 1.874 -6.686 -10.331 73 HD2 LYS -2 HD2 LYS -2 2.408 -8.721 -8.827 74 HD3 LYS -2 HD1 LYS -2 3.479 -9.238 -10.134 75 HE2 LYS -2 HE2 LYS -2 3.647 -6.651 -8.556 76 HE3 LYS -2 HE1 LYS -2 4.736 -8.026 -8.436 77 HZ1 LYS -2 HZ1 LYS -2 5.679 -6.216 -9.722 78 HZ2 LYS -2 HZ2 LYS -2 4.408 -6.310 -10.833 79 HZ3 LYS -2 HZ3 LYS -2 5.489 -7.598 -10.675 80 H GLY -1 HN GLY -1 3.262 -10.121 -11.936 81 HA2 GLY -1 HA2 GLY -1 4.756 -10.367 -13.624 82 HA3 GLY -1 HA1 GLY -1 3.409 -10.661 -14.704 83 H THR 0 HN THR 0 3.713 -7.707 -12.854 84 HA THR 0 HA THR 0 3.931 -6.164 -15.317 85 HB THR 0 HB THR 0 3.598 -4.171 -13.900 86 HG1 THR 0 HG1 THR 0 3.226 -4.464 -11.648 87 HG21 THR 0 HG21 THR 0 1.594 -6.387 -13.303 88 HG22 THR 0 HG22 THR 0 1.583 -5.314 -14.707 89 HG23 THR 0 HG23 THR 0 1.305 -4.660 -13.094 90 H MET 1 HN MET 1 5.646 -4.979 -15.888 91 HA MET 1 HA MET 1 8.149 -5.138 -14.314 92 HB2 MET 1 HB2 MET 1 9.309 -4.728 -16.438 93 HB3 MET 1 HB1 MET 1 8.238 -6.112 -16.606 94 HG2 MET 1 HG2 MET 1 6.574 -4.650 -17.717 95 HG3 MET 1 HG1 MET 1 7.722 -3.310 -17.620 96 HE1 MET 1 HE1 MET 1 7.408 -2.991 -20.231 97 HE2 MET 1 HE2 MET 1 6.309 -4.372 -20.268 98 HE3 MET 1 HE3 MET 1 7.651 -4.283 -21.406 99 H GLU 2 HN GLU 2 9.540 -3.145 -14.622 100 HA GLU 2 HA GLU 2 7.896 -0.683 -14.491 101 HB2 GLU 2 HB2 GLU 2 8.823 -1.595 -12.288 102 HB3 GLU 2 HB1 GLU 2 10.432 -1.236 -12.907 103 HG2 GLU 2 HG2 GLU 2 9.725 1.167 -13.127 104 HG3 GLU 2 HG1 GLU 2 8.194 0.729 -12.350 105 H LEU 3 HN LEU 3 8.630 1.043 -15.677 106 HA LEU 3 HA LEU 3 11.106 0.697 -17.282 107 HB2 LEU 3 HB2 LEU 3 8.519 1.935 -18.303 108 HB3 LEU 3 HB1 LEU 3 9.950 1.488 -19.226 109 HG LEU 3 HG LEU 3 8.109 -0.527 -17.886 110 HD11 LEU 3 HD11 LEU 3 7.244 -0.969 -20.151 111 HD12 LEU 3 HD12 LEU 3 8.176 0.401 -20.767 112 HD13 LEU 3 HD13 LEU 3 6.881 0.665 -19.597 113 HD21 LEU 3 HD21 LEU 3 10.375 -1.385 -18.217 114 HD22 LEU 3 HD22 LEU 3 10.347 -0.897 -19.912 115 HD23 LEU 3 HD23 LEU 3 9.261 -2.167 -19.340 116 H GLU 4 HN GLU 4 12.306 2.556 -17.570 117 HA GLU 4 HA GLU 4 11.579 4.957 -16.104 118 HB2 GLU 4 HB2 GLU 4 13.901 4.108 -15.917 119 HB3 GLU 4 HB1 GLU 4 14.119 4.283 -17.654 120 HG2 GLU 4 HG2 GLU 4 13.837 6.723 -17.446 121 HG3 GLU 4 HG1 GLU 4 13.587 6.552 -15.710 122 H LEU 5 HN LEU 5 10.104 6.153 -17.198 123 HA LEU 5 HA LEU 5 10.296 6.437 -20.112 124 HB2 LEU 5 HB2 LEU 5 8.131 7.524 -18.294 125 HB3 LEU 5 HB1 LEU 5 8.081 7.357 -20.044 126 HG LEU 5 HG LEU 5 7.994 5.123 -17.977 127 HD11 LEU 5 HD11 LEU 5 5.784 4.676 -18.917 128 HD12 LEU 5 HD12 LEU 5 5.965 6.039 -20.025 129 HD13 LEU 5 HD13 LEU 5 5.901 6.316 -18.280 130 HD21 LEU 5 HD21 LEU 5 9.359 4.334 -19.853 131 HD22 LEU 5 HD22 LEU 5 8.107 4.815 -21.003 132 HD23 LEU 5 HD23 LEU 5 7.793 3.524 -19.840 133 H ARG 6 HN ARG 6 11.719 7.865 -20.656 134 HA ARG 6 HA ARG 6 12.240 10.293 -19.116 135 HB2 ARG 6 HB2 ARG 6 13.726 9.192 -21.542 136 HB3 ARG 6 HB1 ARG 6 14.298 10.410 -20.402 137 HG2 ARG 6 HG2 ARG 6 14.397 8.709 -18.620 138 HG3 ARG 6 HG1 ARG 6 13.771 7.490 -19.734 139 HD2 ARG 6 HD2 ARG 6 16.178 7.234 -19.513 140 HD3 ARG 6 HD1 ARG 6 15.797 7.778 -21.146 141 HE ARG 6 HE ARG 6 16.618 9.951 -20.600 142 HH11 ARG 6 HH11 ARG 6 17.275 7.570 -18.096 143 HH12 ARG 6 HH12 ARG 6 18.552 8.500 -17.391 144 HH21 ARG 6 HH21 ARG 6 18.303 11.160 -19.652 145 HH22 ARG 6 HH22 ARG 6 19.131 10.531 -18.267 146 H PHE 7 HN PHE 7 11.179 12.084 -19.706 147 HA PHE 7 HA PHE 7 10.107 12.408 -22.454 148 HB2 PHE 7 HB2 PHE 7 9.275 13.808 -19.860 149 HB3 PHE 7 HB1 PHE 7 8.530 14.035 -21.443 150 HD1 PHE 7 HD2 PHE 7 8.924 11.738 -18.606 151 HD2 PHE 7 HD1 PHE 7 7.044 12.345 -22.391 152 HE1 PHE 7 HE2 PHE 7 7.436 9.839 -18.187 153 HE2 PHE 7 HE1 PHE 7 5.547 10.444 -21.948 154 HZ PHE 7 HZ PHE 7 5.748 9.186 -19.844 155 H PHE 8 HN PHE 8 10.702 14.139 -23.664 156 HA PHE 8 HA PHE 8 12.405 16.238 -22.476 157 HB2 PHE 8 HB2 PHE 8 13.018 14.858 -25.134 158 HB3 PHE 8 HB1 PHE 8 13.968 16.135 -24.368 159 HD1 PHE 8 HD1 PHE 8 15.007 15.635 -22.044 160 HD2 PHE 8 HD2 PHE 8 13.476 12.591 -24.627 161 HE1 PHE 8 HE1 PHE 8 16.232 13.924 -20.765 162 HE2 PHE 8 HE2 PHE 8 14.703 10.907 -23.365 163 HZ PHE 8 HZ PHE 8 16.081 11.553 -21.418 164 H ALA 9 HN ALA 9 12.454 18.187 -23.655 165 HA ALA 9 HA ALA 9 11.587 19.968 -24.669 166 HB1 ALA 9 HB1 ALA 9 10.583 17.959 -26.690 167 HB2 ALA 9 HB2 ALA 9 12.159 18.750 -26.699 168 HB3 ALA 9 HB3 ALA 9 10.695 19.700 -26.950 169 H THR 10 HN THR 10 8.789 19.399 -26.284 170 HA THR 10 HA THR 10 7.078 20.619 -24.447 171 HB THR 10 HB THR 10 6.296 18.831 -26.797 172 HG1 THR 10 HG1 THR 10 6.650 21.660 -26.698 173 HG21 THR 10 HG21 THR 10 4.357 19.282 -25.322 174 HG22 THR 10 HG22 THR 10 4.197 20.153 -26.850 175 HG23 THR 10 HG23 THR 10 4.697 21.012 -25.393 176 H PHE 11 HN PHE 11 7.434 17.150 -25.262 177 HA PHE 11 HA PHE 11 5.347 16.113 -23.675 178 HB2 PHE 11 HB2 PHE 11 7.933 14.851 -24.662 179 HB3 PHE 11 HB1 PHE 11 6.759 13.937 -23.727 180 HD1 PHE 11 HD1 PHE 11 5.084 16.274 -25.892 181 HD2 PHE 11 HD2 PHE 11 7.005 12.453 -25.859 182 HE1 PHE 11 HE1 PHE 11 3.889 15.632 -27.937 183 HE2 PHE 11 HE2 PHE 11 5.797 11.830 -27.907 184 HZ PHE 11 HZ PHE 11 4.234 13.415 -28.945 185 H ARG 12 HN ARG 12 8.538 17.228 -22.787 186 HA ARG 12 HA ARG 12 8.754 15.921 -20.265 187 HB2 ARG 12 HB2 ARG 12 10.693 16.798 -21.549 188 HB3 ARG 12 HB1 ARG 12 10.180 18.428 -21.204 189 HG2 ARG 12 HG2 ARG 12 10.749 16.538 -18.923 190 HG3 ARG 12 HG1 ARG 12 12.098 17.247 -19.801 191 HD2 ARG 12 HD2 ARG 12 9.955 18.708 -18.219 192 HD3 ARG 12 HD1 ARG 12 11.672 18.588 -17.842 193 HE ARG 12 HE ARG 12 11.840 19.820 -20.166 194 HH11 ARG 12 HH11 ARG 12 9.552 20.476 -17.583 195 HH12 ARG 12 HH12 ARG 12 9.403 22.154 -17.974 196 HH21 ARG 12 HH21 ARG 12 11.629 22.024 -20.673 197 HH22 ARG 12 HH22 ARG 12 10.579 23.030 -19.736 198 H GLU 13 HN GLU 13 7.776 19.237 -21.231 199 HA GLU 13 HA GLU 13 7.269 20.032 -18.503 200 HB2 GLU 13 HB2 GLU 13 6.481 22.187 -19.450 201 HB3 GLU 13 HB1 GLU 13 8.074 21.722 -20.021 202 HG2 GLU 13 HG2 GLU 13 7.016 22.640 -21.902 203 HG3 GLU 13 HG1 GLU 13 6.911 20.899 -22.156 204 H VAL 14 HN VAL 14 5.332 18.698 -21.060 205 HA VAL 14 HA VAL 14 2.723 19.050 -20.057 206 HB VAL 14 HB VAL 14 3.961 16.731 -21.604 207 HG11 VAL 14 HG11 VAL 14 1.642 15.980 -22.089 208 HG12 VAL 14 HG12 VAL 14 1.029 17.160 -20.933 209 HG13 VAL 14 HG13 VAL 14 2.056 15.832 -20.380 210 HG21 VAL 14 HG21 VAL 14 2.750 17.654 -23.544 211 HG22 VAL 14 HG22 VAL 14 3.849 18.855 -22.861 212 HG23 VAL 14 HG23 VAL 14 2.116 18.964 -22.540 213 H VAL 15 HN VAL 15 4.995 16.368 -19.559 214 HA VAL 15 HA VAL 15 3.489 15.101 -17.477 215 HB VAL 15 HB VAL 15 6.342 14.667 -18.475 216 HG11 VAL 15 HG11 VAL 15 4.733 12.880 -16.606 217 HG12 VAL 15 HG12 VAL 15 6.175 13.797 -16.171 218 HG13 VAL 15 HG13 VAL 15 6.293 12.471 -17.327 219 HG21 VAL 15 HG21 VAL 15 3.770 13.136 -19.038 220 HG22 VAL 15 HG22 VAL 15 5.371 12.715 -19.649 221 HG23 VAL 15 HG23 VAL 15 4.600 14.216 -20.164 222 H GLY 16 HN GLY 16 5.784 17.651 -17.638 223 HA2 GLY 16 HA2 GLY 16 6.775 19.018 -16.105 224 HA3 GLY 16 HA1 GLY 16 5.716 18.342 -14.884 225 H GLN 17 HN GLN 17 7.578 16.055 -16.596 226 HA GLN 17 HA GLN 17 9.684 15.866 -14.564 227 HB2 GLN 17 HB2 GLN 17 8.064 13.385 -15.256 228 HB3 GLN 17 HB1 GLN 17 9.186 13.627 -13.920 229 HG2 GLN 17 HG2 GLN 17 7.496 15.210 -12.903 230 HG3 GLN 17 HG1 GLN 17 6.389 14.777 -14.194 231 HE21 GLN 17 HE21 GLN 17 5.436 12.731 -14.199 232 HE22 GLN 17 HE22 GLN 17 5.439 11.716 -12.804 233 H LYS 18 HN LYS 18 11.573 15.061 -15.459 234 HA LYS 18 HA LYS 18 11.625 14.793 -18.374 235 HB2 LYS 18 HB2 LYS 18 14.064 15.062 -18.173 236 HB3 LYS 18 HB1 LYS 18 13.183 16.377 -17.406 237 HG2 LYS 18 HG2 LYS 18 13.651 15.483 -15.190 238 HG3 LYS 18 HG1 LYS 18 14.405 14.040 -15.885 239 HD2 LYS 18 HD2 LYS 18 15.407 16.898 -16.248 240 HD3 LYS 18 HD1 LYS 18 16.080 15.730 -15.103 241 HE2 LYS 18 HE2 LYS 18 16.760 14.269 -16.958 242 HE3 LYS 18 HE1 LYS 18 16.006 15.354 -18.125 243 HZ1 LYS 18 HZ1 LYS 18 18.393 15.626 -18.004 244 HZ2 LYS 18 HZ2 LYS 18 18.286 16.050 -16.376 245 HZ3 LYS 18 HZ3 LYS 18 17.592 17.044 -17.552 246 H SER 19 HN SER 19 12.029 12.770 -15.574 247 HA SER 19 HA SER 19 11.909 10.408 -17.263 248 HB2 SER 19 HB2 SER 19 14.154 10.570 -15.192 249 HB3 SER 19 HB1 SER 19 13.822 9.236 -16.292 250 HG SER 19 HG SER 19 14.196 11.054 -17.962 251 H ILE 20 HN ILE 20 10.655 8.906 -16.242 252 HA ILE 20 HA ILE 20 10.136 9.055 -13.323 253 HB ILE 20 HB ILE 20 7.747 8.595 -13.689 254 HG12 ILE 20 HG12 ILE 20 8.416 8.732 -16.668 255 HG13 ILE 20 HG11 ILE 20 7.835 7.317 -15.785 256 HG21 ILE 20 HG21 ILE 20 8.619 10.982 -15.343 257 HG22 ILE 20 HG22 ILE 20 8.459 10.950 -13.585 258 HG23 ILE 20 HG23 ILE 20 7.030 10.755 -14.601 259 HD11 ILE 20 HD11 ILE 20 6.051 8.251 -17.093 260 HD12 ILE 20 HD12 ILE 20 6.276 9.837 -16.358 261 HD13 ILE 20 HD13 ILE 20 5.690 8.487 -15.382 262 H TYR 21 HN TYR 21 8.973 6.920 -12.640 263 HA TYR 21 HA TYR 21 9.663 4.652 -14.420 264 HB2 TYR 21 HB2 TYR 21 9.898 4.781 -11.387 265 HB3 TYR 21 HB1 TYR 21 9.812 3.256 -12.250 266 HD1 TYR 21 HD2 TYR 21 11.700 2.517 -13.726 267 HD2 TYR 21 HD1 TYR 21 11.951 6.157 -11.487 268 HE1 TYR 21 HE2 TYR 21 14.120 2.556 -14.054 269 HE2 TYR 21 HE1 TYR 21 14.382 6.204 -11.851 270 HH TYR 21 HH TYR 21 16.195 4.711 -12.371 271 H TRP 22 HN TRP 22 7.888 3.927 -15.256 272 HA TRP 22 HA TRP 22 5.276 4.037 -13.904 273 HB2 TRP 22 HB2 TRP 22 6.224 4.160 -16.691 274 HB3 TRP 22 HB1 TRP 22 4.969 2.947 -16.526 275 HD1 TRP 22 HD1 TRP 22 5.068 6.484 -14.879 276 HE1 TRP 22 HE1 TRP 22 3.009 7.766 -15.723 277 HE3 TRP 22 HE3 TRP 22 3.162 2.961 -18.003 278 HZ2 TRP 22 HZ2 TRP 22 0.842 7.345 -17.518 279 HZ3 TRP 22 HZ3 TRP 22 1.100 3.447 -19.230 280 HH2 TRP 22 HH2 TRP 22 -0.041 5.585 -18.979 281 H ARG 23 HN ARG 23 3.946 2.142 -13.837 282 HA ARG 23 HA ARG 23 5.379 -0.440 -14.121 283 HB2 ARG 23 HB2 ARG 23 4.514 0.441 -11.745 284 HB3 ARG 23 HB1 ARG 23 2.958 -0.111 -12.327 285 HG2 ARG 23 HG2 ARG 23 3.850 -1.914 -11.059 286 HG3 ARG 23 HG1 ARG 23 4.049 -2.380 -12.754 287 HD2 ARG 23 HD2 ARG 23 6.411 -1.437 -12.614 288 HD3 ARG 23 HD1 ARG 23 6.163 -1.299 -10.868 289 HE ARG 23 HE ARG 23 5.757 -3.931 -12.085 290 HH11 ARG 23 HH11 ARG 23 7.858 -1.842 -10.183 291 HH12 ARG 23 HH12 ARG 23 8.934 -3.129 -9.744 292 HH21 ARG 23 HH21 ARG 23 7.218 -5.588 -11.546 293 HH22 ARG 23 HH22 ARG 23 8.566 -5.245 -10.515 294 H VAL 24 HN VAL 24 4.781 -1.070 -16.120 295 HA VAL 24 HA VAL 24 1.883 -1.480 -16.671 296 HB VAL 24 HB VAL 24 2.429 -1.660 -19.072 297 HG11 VAL 24 HG11 VAL 24 2.972 0.699 -19.583 298 HG12 VAL 24 HG12 VAL 24 3.525 0.934 -17.921 299 HG13 VAL 24 HG13 VAL 24 1.827 0.574 -18.242 300 HG21 VAL 24 HG21 VAL 24 4.689 -1.123 -19.964 301 HG22 VAL 24 HG22 VAL 24 4.710 -2.555 -18.934 302 HG23 VAL 24 HG23 VAL 24 5.305 -1.016 -18.310 303 H ASP 25 HN ASP 25 1.622 -3.568 -18.073 304 HA ASP 25 HA ASP 25 2.732 -5.784 -16.632 305 HB2 ASP 25 HB2 ASP 25 0.426 -5.711 -17.700 306 HB3 ASP 25 HB1 ASP 25 1.203 -5.880 -19.270 307 H ASP 26 HN ASP 26 3.984 -7.589 -17.654 308 HA ASP 26 HA ASP 26 6.390 -6.616 -18.795 309 HB2 ASP 26 HB2 ASP 26 7.215 -8.857 -18.721 310 HB3 ASP 26 HB1 ASP 26 6.157 -8.692 -17.322 311 H ASP 27 HN ASP 27 3.492 -7.870 -20.182 312 HA ASP 27 HA ASP 27 4.561 -8.588 -22.779 313 HB2 ASP 27 HB2 ASP 27 2.620 -9.776 -21.735 314 HB3 ASP 27 HB1 ASP 27 1.674 -8.297 -21.803 315 H ALA 28 HN ALA 28 3.250 -5.780 -21.246 316 HA ALA 28 HA ALA 28 2.258 -4.327 -23.481 317 HB1 ALA 28 HB1 ALA 28 2.303 -2.388 -21.961 318 HB2 ALA 28 HB2 ALA 28 3.270 -3.307 -20.801 319 HB3 ALA 28 HB3 ALA 28 1.617 -3.805 -21.164 320 H THR 29 HN THR 29 3.325 -3.133 -24.978 321 HA THR 29 HA THR 29 6.265 -2.790 -24.725 322 HB THR 29 HB THR 29 6.248 -2.715 -27.270 323 HG1 THR 29 HG1 THR 29 3.744 -4.035 -27.076 324 HG21 THR 29 HG21 THR 29 6.117 -5.163 -27.543 325 HG22 THR 29 HG22 THR 29 5.312 -5.300 -25.979 326 HG23 THR 29 HG23 THR 29 6.983 -4.736 -26.061 327 H VAL 30 HN VAL 30 6.893 -0.941 -26.545 328 HA VAL 30 HA VAL 30 6.549 1.446 -25.176 329 HB VAL 30 HB VAL 30 7.483 0.927 -28.023 330 HG11 VAL 30 HG11 VAL 30 8.379 3.252 -28.126 331 HG12 VAL 30 HG12 VAL 30 7.531 3.632 -26.621 332 HG13 VAL 30 HG13 VAL 30 6.614 3.220 -28.071 333 HG21 VAL 30 HG21 VAL 30 8.962 0.106 -26.254 334 HG22 VAL 30 HG22 VAL 30 9.008 1.710 -25.514 335 HG23 VAL 30 HG23 VAL 30 9.721 1.451 -27.110 336 H GLY 31 HN GLY 31 4.680 0.210 -27.872 337 HA2 GLY 31 HA2 GLY 31 3.164 2.506 -28.502 338 HA3 GLY 31 HA1 GLY 31 2.724 0.842 -28.853 339 H ASP 32 HN ASP 32 2.463 -0.222 -26.300 340 HA ASP 32 HA ASP 32 -0.094 0.659 -25.447 341 HB2 ASP 32 HB2 ASP 32 0.601 -1.675 -25.115 342 HB3 ASP 32 HB1 ASP 32 1.912 -1.175 -24.054 343 H VAL 33 HN VAL 33 3.167 1.234 -24.282 344 HA VAL 33 HA VAL 33 2.648 2.550 -21.863 345 HB VAL 33 HB VAL 33 4.960 2.746 -23.821 346 HG11 VAL 33 HG11 VAL 33 4.831 3.974 -21.047 347 HG12 VAL 33 HG12 VAL 33 4.943 4.854 -22.573 348 HG13 VAL 33 HG13 VAL 33 6.287 3.842 -22.039 349 HG21 VAL 33 HG21 VAL 33 4.683 1.342 -21.135 350 HG22 VAL 33 HG22 VAL 33 6.142 1.360 -22.135 351 HG23 VAL 33 HG23 VAL 33 4.679 0.561 -22.722 352 H LEU 34 HN LEU 34 3.347 4.098 -25.065 353 HA LEU 34 HA LEU 34 2.545 6.669 -24.142 354 HB2 LEU 34 HB2 LEU 34 2.555 7.312 -26.628 355 HB3 LEU 34 HB1 LEU 34 4.055 6.811 -25.884 356 HG LEU 34 HG LEU 34 3.551 4.481 -26.960 357 HD11 LEU 34 HD11 LEU 34 1.801 6.198 -28.713 358 HD12 LEU 34 HD12 LEU 34 1.273 4.871 -27.676 359 HD13 LEU 34 HD13 LEU 34 2.315 4.545 -29.059 360 HD21 LEU 34 HD21 LEU 34 4.377 6.825 -28.699 361 HD22 LEU 34 HD22 LEU 34 4.729 5.121 -29.011 362 HD23 LEU 34 HD23 LEU 34 5.431 5.920 -27.607 363 H ARG 35 HN ARG 35 0.724 4.053 -25.659 364 HA ARG 35 HA ARG 35 -1.703 5.336 -26.158 365 HB2 ARG 35 HB2 ARG 35 -1.574 3.099 -26.877 366 HB3 ARG 35 HB1 ARG 35 -0.987 2.518 -25.336 367 HG2 ARG 35 HG2 ARG 35 -3.288 1.736 -25.933 368 HG3 ARG 35 HG1 ARG 35 -3.186 2.550 -24.373 369 HD2 ARG 35 HD2 ARG 35 -4.112 4.581 -25.315 370 HD3 ARG 35 HD1 ARG 35 -4.154 3.865 -26.938 371 HE ARG 35 HE ARG 35 -5.760 2.194 -25.893 372 HH11 ARG 35 HH11 ARG 35 -5.547 5.479 -24.626 373 HH12 ARG 35 HH12 ARG 35 -7.206 5.509 -24.133 374 HH21 ARG 35 HH21 ARG 35 -7.933 2.270 -25.217 375 HH22 ARG 35 HH22 ARG 35 -8.548 3.702 -24.456 376 H SER 36 HN SER 36 -0.509 3.980 -23.126 377 HA SER 36 HA SER 36 -2.801 4.765 -21.596 378 HB2 SER 36 HB2 SER 36 -0.097 3.722 -20.743 379 HB3 SER 36 HB1 SER 36 -1.514 3.866 -19.712 380 HG SER 36 HG SER 36 -0.990 2.070 -21.785 381 H LEU 37 HN LEU 37 0.350 6.206 -22.282 382 HA LEU 37 HA LEU 37 0.545 8.071 -20.204 383 HB2 LEU 37 HB2 LEU 37 1.858 7.700 -22.815 384 HB3 LEU 37 HB1 LEU 37 1.747 9.388 -22.386 385 HG LEU 37 HG LEU 37 3.886 8.585 -21.670 386 HD11 LEU 37 HD11 LEU 37 3.872 9.060 -19.269 387 HD12 LEU 37 HD12 LEU 37 2.118 8.860 -19.219 388 HD13 LEU 37 HD13 LEU 37 2.834 10.182 -20.147 389 HD21 LEU 37 HD21 LEU 37 2.466 6.383 -20.173 390 HD22 LEU 37 HD22 LEU 37 4.188 6.745 -20.080 391 HD23 LEU 37 HD23 LEU 37 3.485 6.215 -21.601 392 H GLU 38 HN GLU 38 -1.193 8.376 -23.305 393 HA GLU 38 HA GLU 38 -1.864 11.152 -22.903 394 HB2 GLU 38 HB2 GLU 38 -3.405 10.852 -24.831 395 HB3 GLU 38 HB1 GLU 38 -1.759 10.360 -25.154 396 HG2 GLU 38 HG2 GLU 38 -2.970 8.696 -26.213 397 HG3 GLU 38 HG1 GLU 38 -2.611 7.945 -24.660 398 H ALA 39 HN ALA 39 -3.338 8.125 -22.061 399 HA ALA 39 HA ALA 39 -5.942 8.988 -21.367 400 HB1 ALA 39 HB1 ALA 39 -4.311 6.682 -20.227 401 HB2 ALA 39 HB2 ALA 39 -5.306 6.620 -21.685 402 HB3 ALA 39 HB3 ALA 39 -6.068 6.865 -20.113 403 H GLU 40 HN GLU 40 -2.873 9.306 -19.766 404 HA GLU 40 HA GLU 40 -4.016 10.215 -17.221 405 HB2 GLU 40 HB2 GLU 40 -1.101 10.282 -18.087 406 HB3 GLU 40 HB1 GLU 40 -1.740 10.335 -16.441 407 HG2 GLU 40 HG2 GLU 40 -1.871 7.954 -18.320 408 HG3 GLU 40 HG1 GLU 40 -0.681 8.211 -17.058 409 H TYR 41 HN TYR 41 -1.901 11.454 -19.805 410 HA TYR 41 HA TYR 41 -2.111 14.165 -18.750 411 HB2 TYR 41 HB2 TYR 41 -0.094 12.918 -20.653 412 HB3 TYR 41 HB1 TYR 41 -0.086 14.617 -20.179 413 HD1 TYR 41 HD1 TYR 41 0.412 15.250 -17.785 414 HD2 TYR 41 HD2 TYR 41 0.779 11.207 -19.145 415 HE1 TYR 41 HE1 TYR 41 1.790 14.716 -15.810 416 HE2 TYR 41 HE2 TYR 41 2.154 10.682 -17.167 417 HH TYR 41 HH TYR 41 2.371 12.716 -14.466 418 H ASP 42 HN ASP 42 -3.553 15.427 -19.710 419 HA ASP 42 HA ASP 42 -4.800 15.084 -22.209 420 HB2 ASP 42 HB2 ASP 42 -4.479 17.664 -20.615 421 HB3 ASP 42 HB1 ASP 42 -5.672 17.373 -21.877 422 H GLY 43 HN GLY 43 -1.926 16.854 -21.234 423 HA2 GLY 43 HA2 GLY 43 -1.487 18.334 -23.639 424 HA3 GLY 43 HA1 GLY 43 -0.314 18.031 -22.367 425 H LEU 44 HN LEU 44 -1.109 14.997 -22.985 426 HA LEU 44 HA LEU 44 0.802 14.617 -25.220 427 HB2 LEU 44 HB2 LEU 44 -0.110 12.744 -22.987 428 HB3 LEU 44 HB1 LEU 44 0.843 12.213 -24.357 429 HG LEU 44 HG LEU 44 1.712 14.168 -22.218 430 HD11 LEU 44 HD11 LEU 44 1.741 11.864 -21.438 431 HD12 LEU 44 HD12 LEU 44 3.384 12.472 -21.618 432 HD13 LEU 44 HD13 LEU 44 2.713 11.374 -22.831 433 HD21 LEU 44 HD21 LEU 44 3.259 13.251 -24.659 434 HD22 LEU 44 HD22 LEU 44 3.917 14.201 -23.321 435 HD23 LEU 44 HD23 LEU 44 2.655 14.881 -24.341 436 H ALA 45 HN ALA 45 -2.523 14.662 -24.645 437 HA ALA 45 HA ALA 45 -3.488 12.300 -25.834 438 HB1 ALA 45 HB1 ALA 45 -4.892 13.782 -24.472 439 HB2 ALA 45 HB2 ALA 45 -5.635 13.486 -26.043 440 HB3 ALA 45 HB3 ALA 45 -4.829 15.028 -25.724 441 H GLY 46 HN GLY 46 -3.301 11.592 -27.861 442 HA2 GLY 46 HA2 GLY 46 -3.814 11.560 -30.128 443 HA3 GLY 46 HA1 GLY 46 -3.928 13.307 -30.138 444 H ARG 47 HN ARG 47 -1.205 13.548 -28.873 445 HA ARG 47 HA ARG 47 0.143 13.814 -31.456 446 HB2 ARG 47 HB2 ARG 47 1.628 15.346 -30.269 447 HB3 ARG 47 HB1 ARG 47 -0.046 15.719 -29.876 448 HG2 ARG 47 HG2 ARG 47 0.344 14.271 -27.771 449 HG3 ARG 47 HG1 ARG 47 2.062 14.409 -28.152 450 HD2 ARG 47 HD2 ARG 47 0.114 16.633 -27.494 451 HD3 ARG 47 HD1 ARG 47 1.509 16.107 -26.556 452 HE ARG 47 HE ARG 47 2.467 16.939 -29.034 453 HH11 ARG 47 HH11 ARG 47 0.892 18.353 -26.243 454 HH12 ARG 47 HH12 ARG 47 1.481 19.949 -26.559 455 HH21 ARG 47 HH21 ARG 47 3.235 19.047 -29.449 456 HH22 ARG 47 HH22 ARG 47 2.811 20.344 -28.377 457 H LEU 48 HN LEU 48 0.055 11.346 -29.367 458 HA LEU 48 HA LEU 48 2.864 10.529 -29.780 459 HB2 LEU 48 HB2 LEU 48 2.972 9.540 -27.637 460 HB3 LEU 48 HB1 LEU 48 2.305 11.137 -27.391 461 HG LEU 48 HG LEU 48 1.017 8.426 -27.021 462 HD11 LEU 48 HD11 LEU 48 0.374 9.377 -24.828 463 HD12 LEU 48 HD12 LEU 48 1.209 10.868 -25.263 464 HD13 LEU 48 HD13 LEU 48 2.116 9.369 -25.103 465 HD21 LEU 48 HD21 LEU 48 -0.612 10.968 -27.280 466 HD22 LEU 48 HD22 LEU 48 -1.194 9.395 -26.741 467 HD23 LEU 48 HD23 LEU 48 -0.630 9.597 -28.388 468 H ILE 49 HN ILE 49 -0.348 9.886 -30.488 469 HA ILE 49 HA ILE 49 0.347 7.244 -31.615 470 HB ILE 49 HB ILE 49 -2.286 7.958 -30.258 471 HG12 ILE 49 HG12 ILE 49 -0.304 5.702 -29.799 472 HG13 ILE 49 HG11 ILE 49 -0.647 7.043 -28.711 473 HG21 ILE 49 HG21 ILE 49 -1.759 5.543 -32.059 474 HG22 ILE 49 HG22 ILE 49 -2.843 6.887 -32.424 475 HG23 ILE 49 HG23 ILE 49 -3.220 5.794 -31.097 476 HD11 ILE 49 HD11 ILE 49 -1.636 4.920 -27.998 477 HD12 ILE 49 HD12 ILE 49 -2.612 4.876 -29.459 478 HD13 ILE 49 HD13 ILE 49 -2.851 6.161 -28.272 479 H GLU 50 HN GLU 50 0.139 7.309 -33.798 480 HA GLU 50 HA GLU 50 -2.113 8.849 -34.980 481 HB2 GLU 50 HB2 GLU 50 0.108 9.911 -35.502 482 HB3 GLU 50 HB1 GLU 50 0.609 8.422 -36.286 483 HG2 GLU 50 HG2 GLU 50 -0.092 10.088 -37.933 484 HG3 GLU 50 HG1 GLU 50 -1.169 8.688 -37.966 485 H ASP 51 HN ASP 51 -3.559 7.331 -35.558 486 HA ASP 51 HA ASP 51 -4.562 5.623 -36.680 487 HB2 ASP 51 HB2 ASP 51 -3.473 6.818 -38.575 488 HB3 ASP 51 HB1 ASP 51 -2.053 5.805 -38.404 489 H GLY 52 HN GLY 52 -2.865 4.917 -34.405 490 HA2 GLY 52 HA2 GLY 52 -2.748 2.863 -33.299 491 HA3 GLY 52 HA1 GLY 52 -2.815 2.021 -34.837 492 H GLU 53 HN GLU 53 -0.473 4.081 -35.605 493 HA GLU 53 HA GLU 53 1.729 2.618 -34.257 494 HB2 GLU 53 HB2 GLU 53 3.246 3.561 -35.931 495 HB3 GLU 53 HB1 GLU 53 1.915 2.733 -36.731 496 HG2 GLU 53 HG2 GLU 53 1.037 4.668 -37.595 497 HG3 GLU 53 HG1 GLU 53 1.607 5.678 -36.281 498 H VAL 54 HN VAL 54 3.768 4.486 -34.233 499 HA VAL 54 HA VAL 54 3.056 5.871 -31.845 500 HB VAL 54 HB VAL 54 5.424 6.800 -31.921 501 HG11 VAL 54 HG11 VAL 54 5.171 3.783 -32.269 502 HG12 VAL 54 HG12 VAL 54 4.881 4.672 -30.774 503 HG13 VAL 54 HG13 VAL 54 6.503 4.626 -31.468 504 HG21 VAL 54 HG21 VAL 54 5.760 6.880 -34.378 505 HG22 VAL 54 HG22 VAL 54 5.670 5.118 -34.458 506 HG23 VAL 54 HG23 VAL 54 7.011 5.893 -33.609 507 H LYS 55 HN LYS 55 4.058 7.236 -35.092 508 HA LYS 55 HA LYS 55 2.420 9.217 -35.653 509 HB2 LYS 55 HB2 LYS 55 2.419 10.168 -33.398 510 HB3 LYS 55 HB1 LYS 55 4.149 10.340 -33.399 511 HG2 LYS 55 HG2 LYS 55 3.395 12.532 -33.691 512 HG3 LYS 55 HG1 LYS 55 3.746 12.031 -35.345 513 HD2 LYS 55 HD2 LYS 55 1.597 13.251 -35.202 514 HD3 LYS 55 HD1 LYS 55 1.365 11.592 -35.757 515 HE2 LYS 55 HE2 LYS 55 0.643 10.939 -33.487 516 HE3 LYS 55 HE1 LYS 55 0.891 12.596 -32.929 517 HZ1 LYS 55 HZ1 LYS 55 -0.839 13.337 -34.384 518 HZ2 LYS 55 HZ2 LYS 55 -1.429 12.085 -33.417 519 HZ3 LYS 55 HZ3 LYS 55 -1.036 11.790 -35.036 520 HA PRO 56 HA PRO 56 5.875 10.076 -38.548 521 HB2 PRO 56 HB2 PRO 56 4.721 12.386 -39.619 522 HB3 PRO 56 HB1 PRO 56 4.348 10.745 -40.163 523 HG2 PRO 56 HG2 PRO 56 2.869 12.464 -38.161 524 HG3 PRO 56 HG1 PRO 56 2.205 11.516 -39.499 525 HD2 PRO 56 HD2 PRO 56 2.080 10.564 -37.049 526 HD3 PRO 56 HD1 PRO 56 2.527 9.468 -38.382 527 H HIS 57 HN HIS 57 7.709 11.137 -38.083 528 HA HIS 57 HA HIS 57 9.230 12.689 -37.540 529 HB2 HIS 57 HB2 HIS 57 6.890 14.600 -37.238 530 HB3 HIS 57 HB1 HIS 57 8.574 15.085 -37.060 531 HD1 HIS 57 HD1 HIS 57 9.488 16.110 -39.107 532 HD2 HIS 57 HD2 HIS 57 6.566 13.293 -40.011 533 HE1 HIS 57 HE1 HIS 57 9.242 16.177 -41.615 534 HE2 HIS 57 HE2 HIS 57 7.396 14.534 -42.128 535 H VAL 58 HN VAL 58 6.890 11.736 -35.207 536 HA VAL 58 HA VAL 58 8.037 13.028 -32.931 537 HB VAL 58 HB VAL 58 5.717 11.730 -33.112 538 HG11 VAL 58 HG11 VAL 58 5.676 9.486 -32.148 539 HG12 VAL 58 HG12 VAL 58 7.437 9.457 -32.083 540 HG13 VAL 58 HG13 VAL 58 6.615 9.493 -33.646 541 HG21 VAL 58 HG21 VAL 58 5.610 11.507 -30.661 542 HG22 VAL 58 HG22 VAL 58 6.439 12.992 -31.138 543 HG23 VAL 58 HG23 VAL 58 7.373 11.605 -30.575 544 H ASN 59 HN ASN 59 9.782 12.381 -31.671 545 HA ASN 59 HA ASN 59 11.370 10.121 -32.763 546 HB2 ASN 59 HB2 ASN 59 12.273 12.578 -31.203 547 HB3 ASN 59 HB1 ASN 59 13.332 11.282 -31.743 548 HD21 ASN 59 HD21 ASN 59 12.064 10.970 -34.368 549 HD22 ASN 59 HD22 ASN 59 12.516 12.357 -35.286 550 H VAL 60 HN VAL 60 10.838 8.403 -31.624 551 HA VAL 60 HA VAL 60 10.799 8.533 -28.667 552 HB VAL 60 HB VAL 60 9.251 6.488 -28.828 553 HG11 VAL 60 HG11 VAL 60 8.140 9.190 -29.729 554 HG12 VAL 60 HG12 VAL 60 8.458 8.713 -28.058 555 HG13 VAL 60 HG13 VAL 60 7.200 7.892 -28.986 556 HG21 VAL 60 HG21 VAL 60 9.510 5.966 -31.226 557 HG22 VAL 60 HG22 VAL 60 8.792 7.517 -31.662 558 HG23 VAL 60 HG23 VAL 60 7.816 6.291 -30.848 559 H LEU 61 HN LEU 61 11.653 6.738 -27.605 560 HA LEU 61 HA LEU 61 13.757 5.316 -29.061 561 HB2 LEU 61 HB2 LEU 61 14.133 7.097 -26.654 562 HB3 LEU 61 HB1 LEU 61 15.325 5.911 -27.137 563 HG LEU 61 HG LEU 61 15.459 7.215 -29.348 564 HD11 LEU 61 HD11 LEU 61 14.863 9.584 -29.295 565 HD12 LEU 61 HD12 LEU 61 14.015 9.321 -27.769 566 HD13 LEU 61 HD13 LEU 61 13.458 8.527 -29.239 567 HD21 LEU 61 HD21 LEU 61 17.242 7.284 -27.663 568 HD22 LEU 61 HD22 LEU 61 16.406 8.593 -26.825 569 HD23 LEU 61 HD23 LEU 61 17.054 8.855 -28.447 570 H LYS 62 HN LYS 62 14.972 3.901 -27.438 571 HA LYS 62 HA LYS 62 13.463 2.568 -25.376 572 HB2 LYS 62 HB2 LYS 62 12.145 1.653 -27.124 573 HB3 LYS 62 HB1 LYS 62 13.491 1.600 -28.240 574 HG2 LYS 62 HG2 LYS 62 12.913 -0.622 -27.744 575 HG3 LYS 62 HG1 LYS 62 14.446 -0.297 -26.936 576 HD2 LYS 62 HD2 LYS 62 13.128 0.091 -24.813 577 HD3 LYS 62 HD1 LYS 62 11.689 -0.458 -25.687 578 HE2 LYS 62 HE2 LYS 62 12.682 -2.293 -24.402 579 HE3 LYS 62 HE1 LYS 62 12.763 -2.630 -26.131 580 HZ1 LYS 62 HZ1 LYS 62 14.985 -1.607 -24.442 581 HZ2 LYS 62 HZ2 LYS 62 15.088 -1.934 -26.102 582 HZ3 LYS 62 HZ3 LYS 62 14.818 -3.195 -25.008 583 H ASN 63 HN ASN 63 15.204 2.300 -24.076 584 HA ASN 63 HA ASN 63 17.315 1.974 -23.287 585 HB2 ASN 63 HB2 ASN 63 16.627 -0.374 -24.073 586 HB3 ASN 63 HB1 ASN 63 17.558 -0.080 -25.534 587 HD21 ASN 63 HD21 ASN 63 17.696 -0.771 -22.133 588 HD22 ASN 63 HD22 ASN 63 19.385 -1.130 -22.057 589 H GLY 64 HN GLY 64 16.942 4.099 -25.121 590 HA2 GLY 64 HA2 GLY 64 18.314 5.769 -25.963 591 HA3 GLY 64 HA1 GLY 64 19.660 4.647 -26.008 592 H ARG 65 HN ARG 65 17.481 2.896 -27.569 593 HA ARG 65 HA ARG 65 18.435 3.718 -30.215 594 HB2 ARG 65 HB2 ARG 65 18.514 1.286 -29.360 595 HB3 ARG 65 HB1 ARG 65 16.765 1.254 -29.531 596 HG2 ARG 65 HG2 ARG 65 17.652 0.252 -31.500 597 HG3 ARG 65 HG1 ARG 65 17.094 1.851 -31.982 598 HD2 ARG 65 HD2 ARG 65 19.375 2.699 -31.964 599 HD3 ARG 65 HD1 ARG 65 19.977 1.173 -31.304 600 HE ARG 65 HE ARG 65 18.629 0.760 -33.784 601 HH11 ARG 65 HH11 ARG 65 21.698 1.933 -32.504 602 HH12 ARG 65 HH12 ARG 65 22.585 1.506 -33.929 603 HH21 ARG 65 HH21 ARG 65 19.816 0.220 -35.639 604 HH22 ARG 65 HH22 ARG 65 21.516 0.529 -35.705 605 H GLU 66 HN GLU 66 17.178 4.985 -31.447 606 HA GLU 66 HA GLU 66 14.566 5.777 -30.611 607 HB2 GLU 66 HB2 GLU 66 16.428 7.180 -31.774 608 HB3 GLU 66 HB1 GLU 66 15.830 6.492 -33.276 609 HG2 GLU 66 HG2 GLU 66 13.573 7.474 -32.757 610 HG3 GLU 66 HG1 GLU 66 14.272 8.209 -31.327 611 H VAL 67 HN VAL 67 12.907 4.410 -30.862 612 HA VAL 67 HA VAL 67 12.861 2.262 -32.697 613 HB VAL 67 HB VAL 67 10.527 1.799 -31.830 614 HG11 VAL 67 HG11 VAL 67 12.785 2.052 -29.826 615 HG12 VAL 67 HG12 VAL 67 12.472 0.690 -30.908 616 HG13 VAL 67 HG13 VAL 67 11.332 1.069 -29.616 617 HG21 VAL 67 HG21 VAL 67 9.776 3.004 -29.807 618 HG22 VAL 67 HG22 VAL 67 9.871 4.092 -31.193 619 HG23 VAL 67 HG23 VAL 67 11.132 4.128 -29.959 620 H VAL 68 HN VAL 68 12.104 5.409 -33.416 621 HA VAL 68 HA VAL 68 9.976 5.007 -35.269 622 HB VAL 68 HB VAL 68 10.492 7.152 -36.196 623 HG11 VAL 68 HG11 VAL 68 11.175 7.170 -33.234 624 HG12 VAL 68 HG12 VAL 68 9.556 7.224 -33.939 625 HG13 VAL 68 HG13 VAL 68 10.665 8.574 -34.174 626 HG21 VAL 68 HG21 VAL 68 12.906 6.906 -36.624 627 HG22 VAL 68 HG22 VAL 68 13.246 7.002 -34.895 628 HG23 VAL 68 HG23 VAL 68 12.590 8.404 -35.745 629 H HIS 69 HN HIS 69 13.399 4.334 -35.360 630 HA HIS 69 HA HIS 69 13.601 3.929 -38.235 631 HB2 HIS 69 HB2 HIS 69 15.593 3.158 -36.051 632 HB3 HIS 69 HB1 HIS 69 15.931 3.281 -37.777 633 HD1 HIS 69 HD1 HIS 69 15.074 5.966 -38.585 634 HD2 HIS 69 HD2 HIS 69 16.707 5.294 -34.817 635 HE1 HIS 69 HE1 HIS 69 15.895 8.211 -37.805 636 HE2 HIS 69 HE2 HIS 69 16.673 7.812 -35.452 637 H LEU 70 HN LEU 70 12.571 2.087 -35.557 638 HA LEU 70 HA LEU 70 12.490 -0.407 -37.116 639 HB2 LEU 70 HB2 LEU 70 12.985 -1.694 -34.999 640 HB3 LEU 70 HB1 LEU 70 14.341 -0.825 -35.660 641 HG LEU 70 HG LEU 70 12.775 0.482 -33.434 642 HD11 LEU 70 HD11 LEU 70 14.133 -0.605 -31.723 643 HD12 LEU 70 HD12 LEU 70 14.870 -1.650 -32.944 644 HD13 LEU 70 HD13 LEU 70 13.145 -1.781 -32.590 645 HD21 LEU 70 HD21 LEU 70 14.568 1.761 -34.549 646 HD22 LEU 70 HD22 LEU 70 15.736 0.504 -34.126 647 HD23 LEU 70 HD23 LEU 70 14.953 1.450 -32.856 648 H ASP 71 HN ASP 71 11.243 -1.788 -34.782 649 HA ASP 71 HA ASP 71 8.527 -1.103 -35.191 650 HB2 ASP 71 HB2 ASP 71 9.878 -2.879 -33.121 651 HB3 ASP 71 HB1 ASP 71 8.133 -2.779 -33.342 652 H GLY 72 HN GLY 72 7.723 0.796 -34.453 653 HA2 GLY 72 HA2 GLY 72 8.620 2.125 -32.059 654 HA3 GLY 72 HA1 GLY 72 7.294 2.616 -33.093 655 H MET 73 HN MET 73 5.765 0.272 -32.995 656 HA MET 73 HA MET 73 4.332 0.814 -30.549 657 HB2 MET 73 HB2 MET 73 3.745 -0.628 -33.113 658 HB3 MET 73 HB1 MET 73 2.813 -1.118 -31.705 659 HG2 MET 73 HG2 MET 73 3.017 1.769 -32.591 660 HG3 MET 73 HG1 MET 73 1.754 0.659 -33.139 661 HE1 MET 73 HE1 MET 73 1.944 3.519 -30.991 662 HE2 MET 73 HE2 MET 73 0.441 3.205 -30.120 663 HE3 MET 73 HE3 MET 73 0.488 3.078 -31.879 664 H ALA 74 HN ALA 74 6.187 -1.930 -31.819 665 HA ALA 74 HA ALA 74 6.191 -3.178 -29.169 666 HB1 ALA 74 HB1 ALA 74 5.212 -4.741 -31.575 667 HB2 ALA 74 HB2 ALA 74 4.203 -4.157 -30.247 668 HB3 ALA 74 HB3 ALA 74 5.452 -5.366 -29.938 669 H THR 75 HN THR 75 8.316 -2.405 -29.319 670 HA THR 75 HA THR 75 10.217 -3.623 -31.112 671 HB THR 75 HB THR 75 10.816 -1.423 -30.647 672 HG1 THR 75 HG1 THR 75 12.664 -2.605 -30.425 673 HG21 THR 75 HG21 THR 75 10.423 -1.897 -27.669 674 HG22 THR 75 HG22 THR 75 9.318 -1.006 -28.720 675 HG23 THR 75 HG23 THR 75 10.945 -0.389 -28.421 676 H ALA 76 HN ALA 76 10.239 -3.665 -27.440 677 HA ALA 76 HA ALA 76 10.981 -6.363 -27.148 678 HB1 ALA 76 HB1 ALA 76 13.432 -6.198 -26.865 679 HB2 ALA 76 HB2 ALA 76 13.373 -4.502 -27.369 680 HB3 ALA 76 HB3 ALA 76 12.945 -5.776 -28.515 681 H LEU 77 HN LEU 77 9.436 -4.521 -25.511 682 HA LEU 77 HA LEU 77 11.167 -3.232 -23.613 683 HB2 LEU 77 HB2 LEU 77 8.231 -3.310 -24.023 684 HB3 LEU 77 HB1 LEU 77 8.736 -3.018 -22.379 685 HG LEU 77 HG LEU 77 9.409 -1.307 -24.799 686 HD11 LEU 77 HD11 LEU 77 8.137 0.425 -23.551 687 HD12 LEU 77 HD12 LEU 77 7.704 -0.793 -22.350 688 HD13 LEU 77 HD13 LEU 77 7.154 -0.957 -24.007 689 HD21 LEU 77 HD21 LEU 77 11.322 -1.454 -23.221 690 HD22 LEU 77 HD22 LEU 77 10.274 -0.875 -21.927 691 HD23 LEU 77 HD23 LEU 77 10.619 0.153 -23.318 692 H ASP 78 HN ASP 78 12.115 -4.116 -21.988 693 HA ASP 78 HA ASP 78 10.932 -6.346 -20.459 694 HB2 ASP 78 HB2 ASP 78 13.880 -5.774 -21.028 695 HB3 ASP 78 HB1 ASP 78 13.293 -7.052 -19.986 696 H ASP 79 HN ASP 79 12.098 -6.388 -18.188 697 HA ASP 79 HA ASP 79 11.204 -4.030 -16.856 698 HB2 ASP 79 HB2 ASP 79 11.972 -5.181 -14.779 699 HB3 ASP 79 HB1 ASP 79 10.963 -6.205 -15.788 700 H GLY 80 HN GLY 80 12.322 -2.538 -15.624 701 HA2 GLY 80 HA2 GLY 80 13.951 -1.049 -15.057 702 HA3 GLY 80 HA1 GLY 80 15.138 -2.306 -15.355 703 H ASP 81 HN ASP 81 13.083 -1.545 -18.043 704 HA ASP 81 HA ASP 81 15.319 -0.708 -19.640 705 HB2 ASP 81 HB2 ASP 81 13.057 -2.031 -20.310 706 HB3 ASP 81 HB1 ASP 81 12.470 -0.417 -20.628 707 H ALA 82 HN ALA 82 14.765 1.341 -21.224 708 HA ALA 82 HA ALA 82 13.631 3.590 -19.694 709 HB1 ALA 82 HB1 ALA 82 16.029 3.646 -19.187 710 HB2 ALA 82 HB2 ALA 82 15.573 5.029 -20.181 711 HB3 ALA 82 HB3 ALA 82 16.427 3.662 -20.910 712 H VAL 83 HN VAL 83 11.946 3.891 -21.097 713 HA VAL 83 HA VAL 83 12.332 4.190 -23.989 714 HB VAL 83 HB VAL 83 9.831 4.608 -22.277 715 HG11 VAL 83 HG11 VAL 83 10.049 4.355 -25.300 716 HG12 VAL 83 HG12 VAL 83 9.661 5.832 -24.410 717 HG13 VAL 83 HG13 VAL 83 8.546 4.465 -24.380 718 HG21 VAL 83 HG21 VAL 83 10.587 2.282 -22.148 719 HG22 VAL 83 HG22 VAL 83 10.616 2.180 -23.912 720 HG23 VAL 83 HG23 VAL 83 9.083 2.405 -23.066 721 H SER 84 HN SER 84 13.344 6.090 -24.492 722 HA SER 84 HA SER 84 12.723 8.607 -23.102 723 HB2 SER 84 HB2 SER 84 14.756 7.929 -25.280 724 HB3 SER 84 HB1 SER 84 14.577 9.515 -24.557 725 HG SER 84 HG SER 84 15.232 7.108 -23.199 726 H VAL 85 HN VAL 85 11.664 10.373 -24.189 727 HA VAL 85 HA VAL 85 10.632 9.876 -26.893 728 HB VAL 85 HB VAL 85 8.351 10.511 -26.364 729 HG11 VAL 85 HG11 VAL 85 7.569 8.592 -25.030 730 HG12 VAL 85 HG12 VAL 85 9.211 8.313 -24.442 731 HG13 VAL 85 HG13 VAL 85 8.840 8.104 -26.155 732 HG21 VAL 85 HG21 VAL 85 8.729 12.102 -24.559 733 HG22 VAL 85 HG22 VAL 85 9.227 10.799 -23.472 734 HG23 VAL 85 HG23 VAL 85 7.558 10.883 -24.043 735 H PHE 86 HN PHE 86 10.293 11.632 -28.073 736 HA PHE 86 HA PHE 86 10.728 14.356 -27.028 737 HB2 PHE 86 HB2 PHE 86 11.939 13.257 -29.632 738 HB3 PHE 86 HB1 PHE 86 12.058 14.913 -29.063 739 HD1 PHE 86 HD2 PHE 86 12.976 11.416 -28.010 740 HD2 PHE 86 HD1 PHE 86 14.063 15.559 -27.969 741 HE1 PHE 86 HE2 PHE 86 15.129 10.854 -26.978 742 HE2 PHE 86 HE1 PHE 86 16.228 14.964 -26.953 743 HZ PHE 86 HZ PHE 86 16.756 12.595 -26.470 744 HA PRO 87 HA PRO 87 6.847 14.779 -29.445 745 HB2 PRO 87 HB2 PRO 87 6.904 17.558 -29.736 746 HB3 PRO 87 HB1 PRO 87 6.347 16.721 -28.283 747 HG2 PRO 87 HG2 PRO 87 9.050 17.902 -28.871 748 HG3 PRO 87 HG1 PRO 87 8.071 18.031 -27.392 749 HD2 PRO 87 HD2 PRO 87 10.112 16.325 -27.505 750 HD3 PRO 87 HD1 PRO 87 8.603 15.859 -26.687 751 HA PRO 88 HA PRO 88 7.988 14.728 -33.678 752 HB2 PRO 88 HB2 PRO 88 5.901 15.943 -35.022 753 HB3 PRO 88 HB1 PRO 88 5.799 14.335 -34.291 754 HG2 PRO 88 HG2 PRO 88 4.877 16.981 -33.189 755 HG3 PRO 88 HG1 PRO 88 4.031 15.420 -33.194 756 HD2 PRO 88 HD2 PRO 88 5.327 16.330 -30.984 757 HD3 PRO 88 HD1 PRO 88 5.276 14.591 -31.386 758 H VAL 89 HN VAL 89 9.389 15.762 -34.911 759 HA VAL 89 HA VAL 89 9.942 18.588 -34.337 760 HB VAL 89 HB VAL 89 12.191 18.120 -35.393 761 HG11 VAL 89 HG11 VAL 89 11.916 17.973 -32.951 762 HG12 VAL 89 HG12 VAL 89 13.073 16.763 -33.509 763 HG13 VAL 89 HG13 VAL 89 11.428 16.279 -33.084 764 HG21 VAL 89 HG21 VAL 89 12.872 15.774 -35.823 765 HG22 VAL 89 HG22 VAL 89 11.553 16.261 -36.892 766 HG23 VAL 89 HG23 VAL 89 11.221 15.230 -35.497 767 H ALA 90 HN ALA 90 10.158 20.147 -35.902 768 HA ALA 90 HA ALA 90 8.591 19.862 -38.294 769 HB1 ALA 90 HB1 ALA 90 8.564 21.952 -36.987 770 HB2 ALA 90 HB2 ALA 90 9.078 22.247 -38.649 771 HB3 ALA 90 HB3 ALA 90 10.273 22.209 -37.349 772 H GLY 91 HN GLY 91 9.592 18.375 -39.599 773 HA2 GLY 91 HA2 GLY 91 12.423 18.640 -40.350 774 HA3 GLY 91 HA1 GLY 91 11.343 17.317 -40.745 775 H GLY 92 HN GLY 92 10.405 20.628 -41.296 776 HA2 GLY 92 HA2 GLY 92 11.356 21.015 -43.928 777 HA3 GLY 92 HA1 GLY 92 9.727 20.342 -43.990 Start of MODEL 2 1 H1 GLY -13 HT1 GLY -13 -1.694 -2.330 0.368 2 H2 GLY -13 HT2 GLY -13 -1.089 -2.426 1.945 3 H3 GLY -13 HT3 GLY -13 -2.317 -3.478 1.444 4 HA2 GLY -13 HA1 GLY -13 -0.199 -4.617 1.517 5 HA3 GLY -13 HA2 GLY -13 -0.846 -4.542 -0.116 6 H GLY -12 HN GLY -12 0.556 -3.893 -1.652 7 HA2 GLY -12 HA2 GLY -12 2.257 -1.691 -1.604 8 HA3 GLY -12 HA1 GLY -12 3.223 -3.061 -1.064 9 H GLY -11 HN GLY -11 0.648 -2.812 -3.516 10 HA2 GLY -11 HA2 GLY -11 2.392 -2.983 -5.776 11 HA3 GLY -11 HA1 GLY -11 1.693 -4.556 -5.390 12 H ARG -10 HN ARG -10 1.315 -2.746 -7.730 13 HA ARG -10 HA ARG -10 -1.507 -1.945 -7.621 14 HB2 ARG -10 HB2 ARG -10 0.479 -1.840 -9.945 15 HB3 ARG -10 HB1 ARG -10 -1.090 -1.040 -9.880 16 HG2 ARG -10 HG2 ARG -10 1.263 -0.406 -8.047 17 HG3 ARG -10 HG1 ARG -10 0.841 0.511 -9.500 18 HD2 ARG -10 HD2 ARG -10 -1.021 0.134 -7.119 19 HD3 ARG -10 HD1 ARG -10 0.025 1.538 -7.350 20 HE ARG -10 HE ARG -10 -1.445 1.340 -9.669 21 HH11 ARG -10 HH11 ARG -10 -2.256 1.772 -6.273 22 HH12 ARG -10 HH12 ARG -10 -3.731 2.612 -6.616 23 HH21 ARG -10 HH21 ARG -10 -3.357 2.465 -10.092 24 HH22 ARG -10 HH22 ARG -10 -4.345 3.013 -8.778 25 H ASP -9 HN ASP -9 -0.233 -3.420 -10.567 26 HA ASP -9 HA ASP -9 0.134 -5.477 -11.323 27 HB2 ASP -9 HB2 ASP -9 -0.438 -6.441 -8.506 28 HB3 ASP -9 HB1 ASP -9 0.403 -7.355 -9.760 29 H TYR -8 HN TYR -8 -2.915 -4.591 -10.382 30 HA TYR -8 HA TYR -8 -4.858 -4.888 -11.442 31 HB2 TYR -8 HB2 TYR -8 -3.107 -6.161 -13.569 32 HB3 TYR -8 HB1 TYR -8 -4.772 -5.631 -13.823 33 HD1 TYR -8 HD1 TYR -8 -5.320 -3.234 -13.926 34 HD2 TYR -8 HD2 TYR -8 -1.269 -4.505 -13.336 35 HE1 TYR -8 HE1 TYR -8 -4.546 -0.956 -14.382 36 HE2 TYR -8 HE2 TYR -8 -0.495 -2.201 -13.798 37 HH TYR -8 HH TYR -8 -2.579 0.461 -13.825 38 H LYS -7 HN LYS -7 -3.435 -7.904 -12.520 39 HA LYS -7 HA LYS -7 -5.883 -9.238 -12.731 40 HB2 LYS -7 HB2 LYS -7 -4.462 -11.188 -13.301 41 HB3 LYS -7 HB1 LYS -7 -3.956 -9.712 -14.118 42 HG2 LYS -7 HG2 LYS -7 -2.292 -9.553 -12.006 43 HG3 LYS -7 HG1 LYS -7 -2.550 -11.306 -11.991 44 HD2 LYS -7 HD2 LYS -7 -1.922 -11.202 -14.526 45 HD3 LYS -7 HD1 LYS -7 -1.317 -9.578 -14.161 46 HE2 LYS -7 HE2 LYS -7 0.499 -11.233 -14.099 47 HE3 LYS -7 HE1 LYS -7 0.240 -10.525 -12.509 48 HZ1 LYS -7 HZ1 LYS -7 0.587 -12.900 -12.388 49 HZ2 LYS -7 HZ2 LYS -7 -0.753 -13.180 -13.386 50 HZ3 LYS -7 HZ3 LYS -7 -0.962 -12.506 -11.854 51 H ASP -6 HN ASP -6 -3.636 -9.128 -10.001 52 HA ASP -6 HA ASP -6 -5.312 -10.840 -8.375 53 HB2 ASP -6 HB2 ASP -6 -3.835 -12.343 -9.959 54 HB3 ASP -6 HB1 ASP -6 -2.504 -11.902 -8.904 55 H ASP -5 HN ASP -5 -4.162 -11.351 -6.231 56 HA ASP -5 HA ASP -5 -2.908 -9.040 -5.048 57 HB2 ASP -5 HB2 ASP -5 -4.540 -10.357 -3.773 58 HB3 ASP -5 HB1 ASP -5 -3.580 -11.819 -3.981 59 H ASP -4 HN ASP -4 -1.953 -12.430 -5.605 60 HA ASP -4 HA ASP -4 0.897 -11.825 -5.152 61 HB2 ASP -4 HB2 ASP -4 -0.546 -14.490 -5.467 62 HB3 ASP -4 HB1 ASP -4 1.177 -14.305 -5.152 63 H ASP -3 HN ASP -3 2.477 -12.528 -6.657 64 HA ASP -3 HA ASP -3 3.531 -12.577 -8.634 65 HB2 ASP -3 HB2 ASP -3 2.420 -14.798 -8.852 66 HB3 ASP -3 HB1 ASP -3 1.071 -14.036 -9.678 67 H LYS -2 HN LYS -2 3.839 -10.619 -9.376 68 HA LYS -2 HA LYS -2 1.812 -8.685 -9.829 69 HB2 LYS -2 HB2 LYS -2 3.705 -7.210 -10.489 70 HB3 LYS -2 HB1 LYS -2 4.014 -8.056 -8.980 71 HG2 LYS -2 HG2 LYS -2 5.556 -9.582 -10.059 72 HG3 LYS -2 HG1 LYS -2 5.112 -8.975 -11.657 73 HD2 LYS -2 HD2 LYS -2 6.079 -6.761 -11.052 74 HD3 LYS -2 HD1 LYS -2 6.594 -7.433 -9.497 75 HE2 LYS -2 HE2 LYS -2 8.054 -9.033 -10.643 76 HE3 LYS -2 HE1 LYS -2 7.473 -8.482 -12.218 77 HZ1 LYS -2 HZ1 LYS -2 9.576 -7.497 -11.731 78 HZ2 LYS -2 HZ2 LYS -2 9.021 -6.899 -10.253 79 HZ3 LYS -2 HZ3 LYS -2 8.391 -6.292 -11.700 80 H GLY -1 HN GLY -1 3.814 -10.558 -12.133 81 HA2 GLY -1 HA2 GLY -1 3.952 -10.564 -14.428 82 HA3 GLY -1 HA1 GLY -1 2.204 -10.412 -14.377 83 H THR 0 HN THR 0 4.462 -8.009 -13.186 84 HA THR 0 HA THR 0 3.741 -6.117 -15.342 85 HB THR 0 HB THR 0 3.868 -4.296 -13.587 86 HG1 THR 0 HG1 THR 0 3.288 -5.907 -11.487 87 HG21 THR 0 HG21 THR 0 1.622 -4.683 -12.621 88 HG22 THR 0 HG22 THR 0 1.678 -6.365 -13.150 89 HG23 THR 0 HG23 THR 0 1.656 -5.065 -14.345 90 H MET 1 HN MET 1 5.266 -4.265 -15.415 91 HA MET 1 HA MET 1 8.028 -4.858 -14.709 92 HB2 MET 1 HB2 MET 1 8.796 -4.446 -17.033 93 HB3 MET 1 HB1 MET 1 7.769 -5.864 -16.929 94 HG2 MET 1 HG2 MET 1 5.911 -4.636 -17.901 95 HG3 MET 1 HG1 MET 1 6.868 -3.150 -17.914 96 HE1 MET 1 HE1 MET 1 6.777 -3.837 -21.717 97 HE2 MET 1 HE2 MET 1 6.590 -2.644 -20.432 98 HE3 MET 1 HE3 MET 1 5.463 -3.998 -20.551 99 H GLU 2 HN GLU 2 9.017 -3.087 -14.018 100 HA GLU 2 HA GLU 2 7.723 -0.499 -14.083 101 HB2 GLU 2 HB2 GLU 2 8.854 -1.336 -12.026 102 HB3 GLU 2 HB1 GLU 2 10.398 -1.335 -12.873 103 HG2 GLU 2 HG2 GLU 2 10.267 1.114 -13.122 104 HG3 GLU 2 HG1 GLU 2 8.701 1.120 -12.315 105 H LEU 3 HN LEU 3 8.427 1.278 -15.307 106 HA LEU 3 HA LEU 3 10.582 0.810 -17.290 107 HB2 LEU 3 HB2 LEU 3 7.920 2.179 -17.854 108 HB3 LEU 3 HB1 LEU 3 9.176 1.755 -19.013 109 HG LEU 3 HG LEU 3 7.527 -0.295 -17.483 110 HD11 LEU 3 HD11 LEU 3 7.159 0.734 -20.309 111 HD12 LEU 3 HD12 LEU 3 6.069 0.981 -18.941 112 HD13 LEU 3 HD13 LEU 3 6.308 -0.638 -19.591 113 HD21 LEU 3 HD21 LEU 3 9.709 -1.154 -18.203 114 HD22 LEU 3 HD22 LEU 3 9.401 -0.622 -19.857 115 HD23 LEU 3 HD23 LEU 3 8.412 -1.896 -19.138 116 H GLU 4 HN GLU 4 12.003 2.518 -17.446 117 HA GLU 4 HA GLU 4 11.471 4.999 -15.991 118 HB2 GLU 4 HB2 GLU 4 13.717 3.943 -15.790 119 HB3 GLU 4 HB1 GLU 4 13.949 4.097 -17.525 120 HG2 GLU 4 HG2 GLU 4 13.823 6.576 -17.285 121 HG3 GLU 4 HG1 GLU 4 13.685 6.375 -15.536 122 H LEU 5 HN LEU 5 9.978 6.173 -17.192 123 HA LEU 5 HA LEU 5 10.290 6.333 -20.110 124 HB2 LEU 5 HB2 LEU 5 8.064 7.497 -18.418 125 HB3 LEU 5 HB1 LEU 5 8.072 7.283 -20.164 126 HG LEU 5 HG LEU 5 7.970 5.072 -18.068 127 HD11 LEU 5 HD11 LEU 5 5.729 4.643 -18.917 128 HD12 LEU 5 HD12 LEU 5 5.874 5.989 -20.051 129 HD13 LEU 5 HD13 LEU 5 5.867 6.292 -18.310 130 HD21 LEU 5 HD21 LEU 5 7.988 4.803 -21.100 131 HD22 LEU 5 HD22 LEU 5 7.705 3.497 -19.944 132 HD23 LEU 5 HD23 LEU 5 9.271 4.298 -19.993 133 H ARG 6 HN ARG 6 11.763 7.738 -20.637 134 HA ARG 6 HA ARG 6 12.221 10.223 -19.180 135 HB2 ARG 6 HB2 ARG 6 13.707 8.895 -21.494 136 HB3 ARG 6 HB1 ARG 6 14.220 10.376 -20.678 137 HG2 ARG 6 HG2 ARG 6 14.530 9.152 -18.583 138 HG3 ARG 6 HG1 ARG 6 13.926 7.668 -19.329 139 HD2 ARG 6 HD2 ARG 6 15.833 7.504 -20.756 140 HD3 ARG 6 HD1 ARG 6 16.368 9.142 -20.358 141 HE ARG 6 HE ARG 6 16.251 7.540 -18.028 142 HH11 ARG 6 HH11 ARG 6 18.268 8.032 -20.865 143 HH12 ARG 6 HH12 ARG 6 19.703 7.466 -20.076 144 HH21 ARG 6 HH21 ARG 6 18.083 6.768 -17.033 145 HH22 ARG 6 HH22 ARG 6 19.593 6.718 -17.887 146 H PHE 7 HN PHE 7 11.173 12.002 -19.808 147 HA PHE 7 HA PHE 7 10.169 12.278 -22.593 148 HB2 PHE 7 HB2 PHE 7 9.279 13.724 -20.040 149 HB3 PHE 7 HB1 PHE 7 8.594 13.955 -21.648 150 HD1 PHE 7 HD2 PHE 7 8.879 11.646 -18.805 151 HD2 PHE 7 HD1 PHE 7 7.082 12.316 -22.621 152 HE1 PHE 7 HE2 PHE 7 7.334 9.786 -18.420 153 HE2 PHE 7 HE1 PHE 7 5.525 10.452 -22.211 154 HZ PHE 7 HZ PHE 7 5.659 9.183 -20.108 155 H PHE 8 HN PHE 8 10.720 14.065 -23.775 156 HA PHE 8 HA PHE 8 12.471 16.126 -22.576 157 HB2 PHE 8 HB2 PHE 8 13.037 14.721 -25.234 158 HB3 PHE 8 HB1 PHE 8 13.995 16.022 -24.521 159 HD1 PHE 8 HD1 PHE 8 15.232 15.589 -22.325 160 HD2 PHE 8 HD2 PHE 8 13.396 12.444 -24.565 161 HE1 PHE 8 HE1 PHE 8 16.504 13.923 -21.034 162 HE2 PHE 8 HE2 PHE 8 14.668 10.799 -23.286 163 HZ PHE 8 HZ PHE 8 16.214 11.517 -21.497 164 H ALA 9 HN ALA 9 12.586 18.089 -23.851 165 HA ALA 9 HA ALA 9 11.669 19.894 -24.810 166 HB1 ALA 9 HB1 ALA 9 10.628 17.861 -26.774 167 HB2 ALA 9 HB2 ALA 9 12.190 18.678 -26.839 168 HB3 ALA 9 HB3 ALA 9 10.702 19.599 -27.059 169 H THR 10 HN THR 10 8.848 19.365 -26.364 170 HA THR 10 HA THR 10 7.096 20.499 -24.546 171 HB THR 10 HB THR 10 6.418 18.639 -26.869 172 HG1 THR 10 HG1 THR 10 6.381 21.479 -26.892 173 HG21 THR 10 HG21 THR 10 4.226 19.785 -26.944 174 HG22 THR 10 HG22 THR 10 4.638 20.686 -25.485 175 HG23 THR 10 HG23 THR 10 4.444 18.934 -25.411 176 H PHE 11 HN PHE 11 7.550 17.028 -25.310 177 HA PHE 11 HA PHE 11 5.476 16.013 -23.694 178 HB2 PHE 11 HB2 PHE 11 8.008 14.703 -24.741 179 HB3 PHE 11 HB1 PHE 11 6.824 13.813 -23.798 180 HD1 PHE 11 HD1 PHE 11 4.935 16.074 -25.749 181 HD2 PHE 11 HD2 PHE 11 7.226 12.478 -26.128 182 HE1 PHE 11 HE1 PHE 11 3.700 15.475 -27.790 183 HE2 PHE 11 HE2 PHE 11 5.972 11.904 -28.168 184 HZ PHE 11 HZ PHE 11 4.203 13.392 -28.988 185 H ARG 12 HN ARG 12 8.734 17.047 -22.855 186 HA ARG 12 HA ARG 12 8.902 15.795 -20.305 187 HB2 ARG 12 HB2 ARG 12 10.930 16.543 -21.387 188 HB3 ARG 12 HB1 ARG 12 10.383 18.207 -21.398 189 HG2 ARG 12 HG2 ARG 12 10.595 16.908 -18.702 190 HG3 ARG 12 HG1 ARG 12 12.118 17.166 -19.545 191 HD2 ARG 12 HD2 ARG 12 11.799 19.537 -19.591 192 HD3 ARG 12 HD1 ARG 12 10.100 19.384 -19.166 193 HE ARG 12 HE ARG 12 12.135 18.563 -17.207 194 HH11 ARG 12 HH11 ARG 12 9.613 20.835 -18.136 195 HH12 ARG 12 HH12 ARG 12 9.479 21.531 -16.558 196 HH21 ARG 12 HH21 ARG 12 11.972 19.532 -15.138 197 HH22 ARG 12 HH22 ARG 12 10.829 20.804 -14.864 198 H GLU 13 HN GLU 13 7.990 19.106 -21.304 199 HA GLU 13 HA GLU 13 7.547 19.967 -18.589 200 HB2 GLU 13 HB2 GLU 13 6.821 22.119 -19.599 201 HB3 GLU 13 HB1 GLU 13 8.384 21.578 -20.178 202 HG2 GLU 13 HG2 GLU 13 7.362 22.445 -22.088 203 HG3 GLU 13 HG1 GLU 13 7.130 20.706 -22.258 204 H VAL 14 HN VAL 14 5.560 18.539 -21.025 205 HA VAL 14 HA VAL 14 2.985 18.973 -19.943 206 HB VAL 14 HB VAL 14 4.155 16.630 -21.505 207 HG11 VAL 14 HG11 VAL 14 2.307 15.734 -20.206 208 HG12 VAL 14 HG12 VAL 14 1.797 15.894 -21.885 209 HG13 VAL 14 HG13 VAL 14 1.259 17.073 -20.687 210 HG21 VAL 14 HG21 VAL 14 2.270 18.865 -22.375 211 HG22 VAL 14 HG22 VAL 14 2.865 17.557 -23.402 212 HG23 VAL 14 HG23 VAL 14 3.989 18.758 -22.764 213 H VAL 15 HN VAL 15 5.270 16.318 -19.430 214 HA VAL 15 HA VAL 15 3.786 15.098 -17.301 215 HB VAL 15 HB VAL 15 6.621 14.620 -18.336 216 HG11 VAL 15 HG11 VAL 15 6.533 12.421 -17.185 217 HG12 VAL 15 HG12 VAL 15 4.993 12.872 -16.450 218 HG13 VAL 15 HG13 VAL 15 6.458 13.760 -16.037 219 HG21 VAL 15 HG21 VAL 15 4.021 13.122 -18.888 220 HG22 VAL 15 HG22 VAL 15 5.613 12.684 -19.512 221 HG23 VAL 15 HG23 VAL 15 4.858 14.195 -20.017 222 H GLY 16 HN GLY 16 6.014 17.675 -17.523 223 HA2 GLY 16 HA2 GLY 16 7.052 19.060 -16.036 224 HA3 GLY 16 HA1 GLY 16 6.092 18.328 -14.759 225 H GLN 17 HN GLN 17 7.879 16.104 -16.615 226 HA GLN 17 HA GLN 17 10.166 15.967 -14.788 227 HB2 GLN 17 HB2 GLN 17 8.630 13.393 -15.334 228 HB3 GLN 17 HB1 GLN 17 9.813 13.736 -14.073 229 HG2 GLN 17 HG2 GLN 17 8.004 15.266 -13.042 230 HG3 GLN 17 HG1 GLN 17 6.892 14.539 -14.194 231 HE21 GLN 17 HE21 GLN 17 5.604 13.593 -12.619 232 HE22 GLN 17 HE22 GLN 17 6.128 12.260 -11.658 233 H LYS 18 HN LYS 18 11.969 15.040 -15.796 234 HA LYS 18 HA LYS 18 11.722 14.586 -18.695 235 HB2 LYS 18 HB2 LYS 18 14.156 14.898 -18.799 236 HB3 LYS 18 HB1 LYS 18 13.341 16.264 -18.045 237 HG2 LYS 18 HG2 LYS 18 14.028 15.375 -15.805 238 HG3 LYS 18 HG1 LYS 18 14.952 14.109 -16.629 239 HD2 LYS 18 HD2 LYS 18 15.376 17.113 -16.963 240 HD3 LYS 18 HD1 LYS 18 16.363 16.058 -15.937 241 HE2 LYS 18 HE2 LYS 18 17.086 14.791 -17.946 242 HE3 LYS 18 HE1 LYS 18 16.090 15.830 -18.967 243 HZ1 LYS 18 HZ1 LYS 18 17.439 17.706 -18.355 244 HZ2 LYS 18 HZ2 LYS 18 18.433 16.471 -18.950 245 HZ3 LYS 18 HZ3 LYS 18 18.350 16.765 -17.287 246 H SER 19 HN SER 19 11.971 12.763 -15.849 247 HA SER 19 HA SER 19 11.887 10.307 -17.383 248 HB2 SER 19 HB2 SER 19 13.902 10.314 -15.090 249 HB3 SER 19 HB1 SER 19 13.713 9.139 -16.386 250 HG SER 19 HG SER 19 14.428 10.923 -17.807 251 H ILE 20 HN ILE 20 10.271 9.118 -16.434 252 HA ILE 20 HA ILE 20 9.745 9.336 -13.513 253 HB ILE 20 HB ILE 20 7.389 8.811 -13.915 254 HG12 ILE 20 HG12 ILE 20 8.168 8.593 -16.858 255 HG13 ILE 20 HG11 ILE 20 7.513 7.311 -15.835 256 HG21 ILE 20 HG21 ILE 20 8.045 11.183 -14.077 257 HG22 ILE 20 HG22 ILE 20 6.644 10.832 -15.083 258 HG23 ILE 20 HG23 ILE 20 8.238 11.015 -15.822 259 HD11 ILE 20 HD11 ILE 20 5.808 8.092 -17.329 260 HD12 ILE 20 HD12 ILE 20 6.050 9.762 -16.818 261 HD13 ILE 20 HD13 ILE 20 5.379 8.580 -15.689 262 H TYR 21 HN TYR 21 8.793 7.258 -12.623 263 HA TYR 21 HA TYR 21 9.543 4.853 -14.196 264 HB2 TYR 21 HB2 TYR 21 9.456 5.172 -11.164 265 HB3 TYR 21 HB1 TYR 21 9.619 3.627 -11.986 266 HD1 TYR 21 HD2 TYR 21 11.674 3.351 -13.625 267 HD2 TYR 21 HD1 TYR 21 11.422 6.412 -10.635 268 HE1 TYR 21 HE2 TYR 21 14.111 3.595 -13.662 269 HE2 TYR 21 HE1 TYR 21 13.867 6.655 -10.695 270 HH TYR 21 HH TYR 21 15.851 5.243 -11.308 271 H TRP 22 HN TRP 22 7.769 4.171 -15.133 272 HA TRP 22 HA TRP 22 5.148 4.081 -13.818 273 HB2 TRP 22 HB2 TRP 22 6.174 3.944 -16.617 274 HB3 TRP 22 HB1 TRP 22 4.862 2.811 -16.298 275 HD1 TRP 22 HD1 TRP 22 4.979 6.364 -14.773 276 HE1 TRP 22 HE1 TRP 22 3.032 7.706 -15.770 277 HE3 TRP 22 HE3 TRP 22 3.248 2.927 -18.118 278 HZ2 TRP 22 HZ2 TRP 22 1.046 7.362 -17.712 279 HZ3 TRP 22 HZ3 TRP 22 1.284 3.502 -19.486 280 HH2 TRP 22 HH2 TRP 22 0.205 5.680 -19.269 281 H ARG 23 HN ARG 23 3.943 1.942 -14.255 282 HA ARG 23 HA ARG 23 5.553 -0.451 -14.516 283 HB2 ARG 23 HB2 ARG 23 5.753 0.045 -12.103 284 HB3 ARG 23 HB1 ARG 23 4.005 0.096 -11.938 285 HG2 ARG 23 HG2 ARG 23 3.811 -2.277 -12.266 286 HG3 ARG 23 HG1 ARG 23 5.487 -2.409 -12.815 287 HD2 ARG 23 HD2 ARG 23 6.341 -1.995 -10.635 288 HD3 ARG 23 HD1 ARG 23 4.789 -1.408 -10.046 289 HE ARG 23 HE ARG 23 4.489 -4.089 -10.781 290 HH11 ARG 23 HH11 ARG 23 6.202 -2.225 -8.329 291 HH12 ARG 23 HH12 ARG 23 6.091 -3.486 -7.141 292 HH21 ARG 23 HH21 ARG 23 4.353 -5.708 -9.200 293 HH22 ARG 23 HH22 ARG 23 5.057 -5.458 -7.638 294 H VAL 24 HN VAL 24 4.454 -1.250 -16.140 295 HA VAL 24 HA VAL 24 1.484 -1.427 -16.098 296 HB VAL 24 HB VAL 24 1.583 -1.599 -18.584 297 HG11 VAL 24 HG11 VAL 24 2.129 0.755 -19.116 298 HG12 VAL 24 HG12 VAL 24 2.941 0.922 -17.557 299 HG13 VAL 24 HG13 VAL 24 1.202 0.625 -17.619 300 HG21 VAL 24 HG21 VAL 24 4.569 -1.045 -18.312 301 HG22 VAL 24 HG22 VAL 24 3.676 -1.102 -19.834 302 HG23 VAL 24 HG23 VAL 24 3.838 -2.559 -18.854 303 H ASP 25 HN ASP 25 0.786 -3.415 -17.518 304 HA ASP 25 HA ASP 25 1.888 -5.774 -16.334 305 HB2 ASP 25 HB2 ASP 25 0.217 -6.991 -17.637 306 HB3 ASP 25 HB1 ASP 25 -0.516 -5.567 -16.919 307 H ASP 26 HN ASP 26 2.650 -7.689 -17.691 308 HA ASP 26 HA ASP 26 4.997 -6.771 -19.111 309 HB2 ASP 26 HB2 ASP 26 5.841 -8.997 -18.938 310 HB3 ASP 26 HB1 ASP 26 5.028 -8.650 -17.422 311 H ASP 27 HN ASP 27 1.874 -7.793 -20.104 312 HA ASP 27 HA ASP 27 2.667 -8.736 -22.742 313 HB2 ASP 27 HB2 ASP 27 -0.052 -8.130 -21.507 314 HB3 ASP 27 HB1 ASP 27 0.129 -8.582 -23.200 315 H ALA 28 HN ALA 28 2.063 -5.725 -21.221 316 HA ALA 28 HA ALA 28 1.539 -4.119 -23.525 317 HB1 ALA 28 HB1 ALA 28 1.037 -3.340 -21.245 318 HB2 ALA 28 HB2 ALA 28 2.128 -2.221 -22.064 319 HB3 ALA 28 HB3 ALA 28 2.756 -3.338 -20.847 320 H THR 29 HN THR 29 2.978 -2.788 -24.654 321 HA THR 29 HA THR 29 5.894 -3.111 -24.342 322 HB THR 29 HB THR 29 6.135 -3.117 -26.870 323 HG1 THR 29 HG1 THR 29 3.358 -3.792 -26.820 324 HG21 THR 29 HG21 THR 29 6.423 -5.236 -25.665 325 HG22 THR 29 HG22 THR 29 5.608 -5.518 -27.206 326 HG23 THR 29 HG23 THR 29 4.676 -5.518 -25.706 327 H VAL 30 HN VAL 30 6.758 -1.340 -26.295 328 HA VAL 30 HA VAL 30 6.642 1.110 -24.996 329 HB VAL 30 HB VAL 30 7.354 0.580 -27.913 330 HG11 VAL 30 HG11 VAL 30 6.890 2.989 -27.648 331 HG12 VAL 30 HG12 VAL 30 8.619 2.727 -27.870 332 HG13 VAL 30 HG13 VAL 30 7.980 3.069 -26.259 333 HG21 VAL 30 HG21 VAL 30 8.759 -0.667 -26.325 334 HG22 VAL 30 HG22 VAL 30 9.128 0.820 -25.448 335 HG23 VAL 30 HG23 VAL 30 9.701 0.606 -27.105 336 H GLY 31 HN GLY 31 4.622 -0.035 -27.605 337 HA2 GLY 31 HA2 GLY 31 3.284 2.390 -28.258 338 HA3 GLY 31 HA1 GLY 31 2.796 0.760 -28.698 339 H ASP 32 HN ASP 32 2.469 -0.357 -26.144 340 HA ASP 32 HA ASP 32 -0.152 0.505 -25.416 341 HB2 ASP 32 HB2 ASP 32 1.773 -1.338 -23.929 342 HB3 ASP 32 HB1 ASP 32 0.056 -1.152 -23.555 343 H VAL 33 HN VAL 33 3.036 1.147 -24.226 344 HA VAL 33 HA VAL 33 2.492 2.458 -21.783 345 HB VAL 33 HB VAL 33 4.790 2.723 -23.771 346 HG11 VAL 33 HG11 VAL 33 4.687 3.760 -20.919 347 HG12 VAL 33 HG12 VAL 33 4.778 4.733 -22.389 348 HG13 VAL 33 HG13 VAL 33 6.131 3.698 -21.935 349 HG21 VAL 33 HG21 VAL 33 4.535 0.470 -22.830 350 HG22 VAL 33 HG22 VAL 33 4.568 1.126 -21.193 351 HG23 VAL 33 HG23 VAL 33 6.003 1.232 -22.216 352 H LEU 34 HN LEU 34 3.224 3.935 -25.001 353 HA LEU 34 HA LEU 34 2.463 6.538 -24.132 354 HB2 LEU 34 HB2 LEU 34 2.601 7.145 -26.620 355 HB3 LEU 34 HB1 LEU 34 4.048 6.599 -25.806 356 HG LEU 34 HG LEU 34 3.519 4.271 -26.876 357 HD11 LEU 34 HD11 LEU 34 2.347 4.334 -29.021 358 HD12 LEU 34 HD12 LEU 34 1.869 6.007 -28.718 359 HD13 LEU 34 HD13 LEU 34 1.271 4.714 -27.677 360 HD21 LEU 34 HD21 LEU 34 4.777 4.857 -28.907 361 HD22 LEU 34 HD22 LEU 34 5.460 5.640 -27.485 362 HD23 LEU 34 HD23 LEU 34 4.473 6.574 -28.613 363 H ARG 35 HN ARG 35 0.646 3.969 -25.696 364 HA ARG 35 HA ARG 35 -1.778 5.164 -26.267 365 HB2 ARG 35 HB2 ARG 35 -1.628 2.869 -26.784 366 HB3 ARG 35 HB1 ARG 35 -1.007 2.442 -25.206 367 HG2 ARG 35 HG2 ARG 35 -3.241 1.510 -25.586 368 HG3 ARG 35 HG1 ARG 35 -3.237 2.624 -24.218 369 HD2 ARG 35 HD2 ARG 35 -4.208 4.371 -25.640 370 HD3 ARG 35 HD1 ARG 35 -4.235 3.252 -27.023 371 HE ARG 35 HE ARG 35 -5.629 2.318 -24.652 372 HH11 ARG 35 HH11 ARG 35 -6.055 4.098 -27.661 373 HH12 ARG 35 HH12 ARG 35 -7.769 3.847 -27.694 374 HH21 ARG 35 HH21 ARG 35 -7.859 2.034 -24.696 375 HH22 ARG 35 HH22 ARG 35 -8.792 2.673 -26.009 376 H SER 36 HN SER 36 -0.656 3.996 -23.132 377 HA SER 36 HA SER 36 -2.944 4.919 -21.671 378 HB2 SER 36 HB2 SER 36 -1.703 2.907 -21.020 379 HB3 SER 36 HB1 SER 36 -0.268 3.880 -20.732 380 HG SER 36 HG SER 36 -2.519 4.726 -19.372 381 H LEU 37 HN LEU 37 0.264 6.258 -22.389 382 HA LEU 37 HA LEU 37 0.503 8.154 -20.344 383 HB2 LEU 37 HB2 LEU 37 1.776 7.757 -22.988 384 HB3 LEU 37 HB1 LEU 37 1.763 9.427 -22.489 385 HG LEU 37 HG LEU 37 3.854 8.548 -21.828 386 HD11 LEU 37 HD11 LEU 37 3.900 8.826 -19.406 387 HD12 LEU 37 HD12 LEU 37 2.147 8.624 -19.325 388 HD13 LEU 37 HD13 LEU 37 2.841 10.020 -20.153 389 HD21 LEU 37 HD21 LEU 37 2.427 6.238 -20.550 390 HD22 LEU 37 HD22 LEU 37 4.146 6.585 -20.381 391 HD23 LEU 37 HD23 LEU 37 3.476 6.213 -21.963 392 H GLU 38 HN GLU 38 -1.245 8.455 -23.441 393 HA GLU 38 HA GLU 38 -1.937 11.223 -23.036 394 HB2 GLU 38 HB2 GLU 38 -3.626 10.848 -24.869 395 HB3 GLU 38 HB1 GLU 38 -1.962 10.500 -25.296 396 HG2 GLU 38 HG2 GLU 38 -2.317 8.177 -25.377 397 HG3 GLU 38 HG1 GLU 38 -3.820 8.276 -24.448 398 H ALA 39 HN ALA 39 -3.322 8.211 -21.991 399 HA ALA 39 HA ALA 39 -5.923 9.170 -21.276 400 HB1 ALA 39 HB1 ALA 39 -5.461 6.782 -21.668 401 HB2 ALA 39 HB2 ALA 39 -6.108 7.024 -20.043 402 HB3 ALA 39 HB3 ALA 39 -4.376 6.748 -20.276 403 H GLU 40 HN GLU 40 -2.790 9.243 -19.770 404 HA GLU 40 HA GLU 40 -3.741 10.016 -17.112 405 HB2 GLU 40 HB2 GLU 40 -0.895 10.079 -18.190 406 HB3 GLU 40 HB1 GLU 40 -1.403 10.036 -16.500 407 HG2 GLU 40 HG2 GLU 40 -1.713 7.801 -18.519 408 HG3 GLU 40 HG1 GLU 40 -0.461 7.946 -17.306 409 H TYR 41 HN TYR 41 -1.716 11.377 -19.693 410 HA TYR 41 HA TYR 41 -1.864 14.041 -18.509 411 HB2 TYR 41 HB2 TYR 41 0.118 12.880 -20.507 412 HB3 TYR 41 HB1 TYR 41 0.154 14.539 -19.920 413 HD1 TYR 41 HD1 TYR 41 0.890 15.045 -17.611 414 HD2 TYR 41 HD2 TYR 41 0.855 11.018 -19.057 415 HE1 TYR 41 HE1 TYR 41 2.327 14.365 -15.732 416 HE2 TYR 41 HE2 TYR 41 2.286 10.337 -17.172 417 HH TYR 41 HH TYR 41 3.902 11.365 -15.597 418 H ASP 42 HN ASP 42 -3.130 15.501 -19.471 419 HA ASP 42 HA ASP 42 -4.505 15.086 -21.931 420 HB2 ASP 42 HB2 ASP 42 -4.242 17.497 -20.097 421 HB3 ASP 42 HB1 ASP 42 -5.221 17.533 -21.560 422 H GLY 43 HN GLY 43 -1.552 16.736 -21.081 423 HA2 GLY 43 HA2 GLY 43 -1.254 18.242 -23.523 424 HA3 GLY 43 HA1 GLY 43 -0.044 18.000 -22.273 425 H LEU 44 HN LEU 44 -0.914 14.936 -22.873 426 HA LEU 44 HA LEU 44 1.040 14.531 -25.059 427 HB2 LEU 44 HB2 LEU 44 0.054 12.654 -22.886 428 HB3 LEU 44 HB1 LEU 44 1.054 12.131 -24.222 429 HG LEU 44 HG LEU 44 1.849 14.074 -22.036 430 HD11 LEU 44 HD11 LEU 44 3.498 12.377 -21.398 431 HD12 LEU 44 HD12 LEU 44 2.856 11.282 -22.628 432 HD13 LEU 44 HD13 LEU 44 1.846 11.776 -21.266 433 HD21 LEU 44 HD21 LEU 44 2.872 14.800 -24.115 434 HD22 LEU 44 HD22 LEU 44 3.468 13.170 -24.436 435 HD23 LEU 44 HD23 LEU 44 4.098 14.090 -23.065 436 H ALA 45 HN ALA 45 -2.211 14.862 -24.798 437 HA ALA 45 HA ALA 45 -3.265 12.396 -25.762 438 HB1 ALA 45 HB1 ALA 45 -4.583 14.016 -24.467 439 HB2 ALA 45 HB2 ALA 45 -5.372 13.633 -26.001 440 HB3 ALA 45 HB3 ALA 45 -4.510 15.164 -25.807 441 H GLY 46 HN GLY 46 -3.040 11.557 -27.770 442 HA2 GLY 46 HA2 GLY 46 -3.503 11.310 -30.013 443 HA3 GLY 46 HA1 GLY 46 -4.034 12.976 -30.074 444 H ARG 47 HN ARG 47 -0.972 13.045 -28.850 445 HA ARG 47 HA ARG 47 0.252 13.659 -31.494 446 HB2 ARG 47 HB2 ARG 47 1.870 15.057 -29.939 447 HB3 ARG 47 HB1 ARG 47 0.277 15.699 -30.325 448 HG2 ARG 47 HG2 ARG 47 -0.599 15.016 -28.181 449 HG3 ARG 47 HG1 ARG 47 0.883 14.151 -27.792 450 HD2 ARG 47 HD2 ARG 47 0.582 16.357 -26.633 451 HD3 ARG 47 HD1 ARG 47 2.093 16.171 -27.494 452 HE ARG 47 HE ARG 47 0.454 17.450 -29.276 453 HH11 ARG 47 HH11 ARG 47 1.436 18.160 -25.976 454 HH12 ARG 47 HH12 ARG 47 1.377 19.876 -26.199 455 HH21 ARG 47 HH21 ARG 47 0.376 19.705 -29.542 456 HH22 ARG 47 HH22 ARG 47 0.777 20.752 -28.221 457 H LEU 48 HN LEU 48 0.184 11.228 -29.396 458 HA LEU 48 HA LEU 48 2.989 10.409 -29.845 459 HB2 LEU 48 HB2 LEU 48 3.170 9.474 -27.680 460 HB3 LEU 48 HB1 LEU 48 2.508 11.077 -27.444 461 HG LEU 48 HG LEU 48 1.205 8.378 -27.004 462 HD11 LEU 48 HD11 LEU 48 2.409 9.326 -25.141 463 HD12 LEU 48 HD12 LEU 48 0.683 9.310 -24.795 464 HD13 LEU 48 HD13 LEU 48 1.479 10.819 -25.251 465 HD21 LEU 48 HD21 LEU 48 -0.963 9.444 -26.587 466 HD22 LEU 48 HD22 LEU 48 -0.485 9.521 -28.276 467 HD23 LEU 48 HD23 LEU 48 -0.349 10.953 -27.262 468 H ILE 49 HN ILE 49 -0.208 9.816 -30.511 469 HA ILE 49 HA ILE 49 0.436 7.144 -31.595 470 HB ILE 49 HB ILE 49 -2.167 7.959 -30.236 471 HG12 ILE 49 HG12 ILE 49 -0.295 5.587 -29.870 472 HG13 ILE 49 HG11 ILE 49 -0.527 6.927 -28.749 473 HG21 ILE 49 HG21 ILE 49 -1.810 5.562 -32.093 474 HG22 ILE 49 HG22 ILE 49 -2.826 6.970 -32.404 475 HG23 ILE 49 HG23 ILE 49 -3.231 5.871 -31.090 476 HD11 ILE 49 HD11 ILE 49 -1.598 4.820 -28.074 477 HD12 ILE 49 HD12 ILE 49 -2.658 4.916 -29.475 478 HD13 ILE 49 HD13 ILE 49 -2.736 6.156 -28.217 479 H GLU 50 HN GLU 50 0.051 6.982 -33.743 480 HA GLU 50 HA GLU 50 -2.085 8.542 -35.014 481 HB2 GLU 50 HB2 GLU 50 0.179 9.791 -35.204 482 HB3 GLU 50 HB1 GLU 50 0.697 8.494 -36.265 483 HG2 GLU 50 HG2 GLU 50 -1.709 10.275 -36.796 484 HG3 GLU 50 HG1 GLU 50 -0.088 10.615 -37.396 485 H ASP 51 HN ASP 51 -3.291 6.983 -35.864 486 HA ASP 51 HA ASP 51 -4.071 5.191 -37.001 487 HB2 ASP 51 HB2 ASP 51 -2.728 6.405 -38.820 488 HB3 ASP 51 HB1 ASP 51 -1.442 5.231 -38.544 489 H GLY 52 HN GLY 52 -2.569 4.671 -34.563 490 HA2 GLY 52 HA2 GLY 52 -2.370 2.727 -33.333 491 HA3 GLY 52 HA1 GLY 52 -2.418 1.780 -34.812 492 H GLU 53 HN GLU 53 -0.054 3.783 -35.691 493 HA GLU 53 HA GLU 53 2.124 2.406 -34.246 494 HB2 GLU 53 HB2 GLU 53 3.664 3.470 -35.831 495 HB3 GLU 53 HB1 GLU 53 2.414 2.580 -36.688 496 HG2 GLU 53 HG2 GLU 53 1.489 4.455 -37.598 497 HG3 GLU 53 HG1 GLU 53 1.880 5.487 -36.234 498 H VAL 54 HN VAL 54 4.099 4.289 -34.042 499 HA VAL 54 HA VAL 54 3.265 5.673 -31.719 500 HB VAL 54 HB VAL 54 5.557 6.696 -31.666 501 HG11 VAL 54 HG11 VAL 54 5.542 3.703 -32.215 502 HG12 VAL 54 HG12 VAL 54 5.185 4.475 -30.667 503 HG13 VAL 54 HG13 VAL 54 6.807 4.585 -31.353 504 HG21 VAL 54 HG21 VAL 54 5.995 6.998 -34.070 505 HG22 VAL 54 HG22 VAL 54 6.007 5.251 -34.309 506 HG23 VAL 54 HG23 VAL 54 7.270 6.013 -33.341 507 H LYS 55 HN LYS 55 4.226 7.004 -34.961 508 HA LYS 55 HA LYS 55 2.540 8.902 -35.600 509 HB2 LYS 55 HB2 LYS 55 2.343 10.045 -33.530 510 HB3 LYS 55 HB1 LYS 55 4.064 10.029 -33.230 511 HG2 LYS 55 HG2 LYS 55 3.592 12.278 -33.661 512 HG3 LYS 55 HG1 LYS 55 4.221 11.705 -35.199 513 HD2 LYS 55 HD2 LYS 55 2.292 13.092 -35.632 514 HD3 LYS 55 HD1 LYS 55 1.871 11.424 -36.017 515 HE2 LYS 55 HE2 LYS 55 0.682 11.218 -33.866 516 HE3 LYS 55 HE1 LYS 55 1.134 12.871 -33.443 517 HZ1 LYS 55 HZ1 LYS 55 -0.538 12.108 -35.774 518 HZ2 LYS 55 HZ2 LYS 55 -0.164 13.680 -35.275 519 HZ3 LYS 55 HZ3 LYS 55 -1.122 12.689 -34.298 520 HA PRO 56 HA PRO 56 6.099 9.719 -38.406 521 HB2 PRO 56 HB2 PRO 56 4.748 11.651 -39.890 522 HB3 PRO 56 HB1 PRO 56 4.617 9.910 -40.189 523 HG2 PRO 56 HG2 PRO 56 2.793 11.694 -38.556 524 HG3 PRO 56 HG1 PRO 56 2.352 10.493 -39.777 525 HD2 PRO 56 HD2 PRO 56 2.162 9.869 -37.223 526 HD3 PRO 56 HD1 PRO 56 2.836 8.675 -38.362 527 H HIS 57 HN HIS 57 7.718 11.135 -38.030 528 HA HIS 57 HA HIS 57 8.906 13.028 -37.686 529 HB2 HIS 57 HB2 HIS 57 6.254 14.446 -37.245 530 HB3 HIS 57 HB1 HIS 57 7.810 15.248 -37.114 531 HD1 HIS 57 HD1 HIS 57 8.324 16.537 -39.143 532 HD2 HIS 57 HD2 HIS 57 6.126 13.132 -40.042 533 HE1 HIS 57 HE1 HIS 57 7.940 16.623 -41.625 534 HE2 HIS 57 HE2 HIS 57 6.388 14.696 -42.076 535 H VAL 58 HN VAL 58 6.854 11.692 -35.258 536 HA VAL 58 HA VAL 58 8.019 13.101 -33.026 537 HB VAL 58 HB VAL 58 5.755 11.719 -33.078 538 HG11 VAL 58 HG11 VAL 58 5.845 9.445 -32.176 539 HG12 VAL 58 HG12 VAL 58 7.608 9.480 -32.208 540 HG13 VAL 58 HG13 VAL 58 6.701 9.529 -33.719 541 HG21 VAL 58 HG21 VAL 58 7.561 11.576 -30.646 542 HG22 VAL 58 HG22 VAL 58 5.796 11.447 -30.639 543 HG23 VAL 58 HG23 VAL 58 6.570 12.957 -31.121 544 H ASN 59 HN ASN 59 9.838 12.497 -31.793 545 HA ASN 59 HA ASN 59 11.510 10.322 -32.929 546 HB2 ASN 59 HB2 ASN 59 12.344 12.713 -31.223 547 HB3 ASN 59 HB1 ASN 59 13.432 11.498 -31.883 548 HD21 ASN 59 HD21 ASN 59 13.848 11.484 -34.106 549 HD22 ASN 59 HD22 ASN 59 13.509 12.840 -35.112 550 H VAL 60 HN VAL 60 11.058 8.523 -31.822 551 HA VAL 60 HA VAL 60 10.915 8.632 -28.860 552 HB VAL 60 HB VAL 60 9.395 6.556 -29.087 553 HG11 VAL 60 HG11 VAL 60 8.551 8.770 -28.316 554 HG12 VAL 60 HG12 VAL 60 7.333 7.939 -29.286 555 HG13 VAL 60 HG13 VAL 60 8.272 9.257 -29.993 556 HG21 VAL 60 HG21 VAL 60 8.995 7.645 -31.907 557 HG22 VAL 60 HG22 VAL 60 8.044 6.363 -31.149 558 HG23 VAL 60 HG23 VAL 60 9.753 6.105 -31.492 559 H LEU 61 HN LEU 61 12.114 7.223 -27.782 560 HA LEU 61 HA LEU 61 13.959 5.479 -29.285 561 HB2 LEU 61 HB2 LEU 61 14.661 7.340 -26.979 562 HB3 LEU 61 HB1 LEU 61 15.745 6.134 -27.643 563 HG LEU 61 HG LEU 61 15.586 7.442 -29.843 564 HD11 LEU 61 HD11 LEU 61 13.649 8.769 -29.509 565 HD12 LEU 61 HD12 LEU 61 15.045 9.815 -29.728 566 HD13 LEU 61 HD13 LEU 61 14.381 9.558 -28.113 567 HD21 LEU 61 HD21 LEU 61 17.596 7.503 -28.437 568 HD22 LEU 61 HD22 LEU 61 16.899 8.823 -27.494 569 HD23 LEU 61 HD23 LEU 61 17.305 9.068 -29.195 570 H LYS 62 HN LYS 62 14.345 3.534 -28.402 571 HA LYS 62 HA LYS 62 13.602 2.955 -25.609 572 HB2 LYS 62 HB2 LYS 62 12.413 1.475 -27.065 573 HB3 LYS 62 HB1 LYS 62 13.801 1.226 -28.104 574 HG2 LYS 62 HG2 LYS 62 13.283 -0.768 -26.812 575 HG3 LYS 62 HG1 LYS 62 14.881 -0.130 -26.423 576 HD2 LYS 62 HD2 LYS 62 13.317 1.103 -24.497 577 HD3 LYS 62 HD1 LYS 62 12.472 -0.438 -24.700 578 HE2 LYS 62 HE2 LYS 62 15.419 -0.073 -24.063 579 HE3 LYS 62 HE1 LYS 62 14.155 -0.564 -22.950 580 HZ1 LYS 62 HZ1 LYS 62 14.916 -2.115 -25.355 581 HZ2 LYS 62 HZ2 LYS 62 13.866 -2.605 -24.118 582 HZ3 LYS 62 HZ3 LYS 62 15.514 -2.419 -23.803 583 H ASN 63 HN ASN 63 15.340 3.441 -24.454 584 HA ASN 63 HA ASN 63 17.407 3.607 -23.607 585 HB2 ASN 63 HB2 ASN 63 16.967 1.160 -23.319 586 HB3 ASN 63 HB1 ASN 63 17.803 0.846 -24.835 587 HD21 ASN 63 HD21 ASN 63 19.458 -0.393 -23.947 588 HD22 ASN 63 HD22 ASN 63 20.652 0.241 -22.870 589 H GLY 64 HN GLY 64 17.406 5.208 -25.611 590 HA2 GLY 64 HA2 GLY 64 18.962 6.518 -26.709 591 HA3 GLY 64 HA1 GLY 64 20.156 5.251 -26.514 592 H ARG 65 HN ARG 65 17.904 3.460 -27.877 593 HA ARG 65 HA ARG 65 18.738 4.025 -30.648 594 HB2 ARG 65 HB2 ARG 65 19.060 1.710 -29.843 595 HB3 ARG 65 HB1 ARG 65 17.348 1.573 -29.459 596 HG2 ARG 65 HG2 ARG 65 17.886 0.423 -31.577 597 HG3 ARG 65 HG1 ARG 65 16.773 1.756 -31.857 598 HD2 ARG 65 HD2 ARG 65 18.602 1.573 -33.569 599 HD3 ARG 65 HD1 ARG 65 18.544 3.134 -32.743 600 HE ARG 65 HE ARG 65 20.403 1.130 -31.675 601 HH11 ARG 65 HH11 ARG 65 20.038 3.975 -33.696 602 HH12 ARG 65 HH12 ARG 65 21.709 4.408 -33.587 603 HH21 ARG 65 HH21 ARG 65 22.589 1.724 -31.537 604 HH22 ARG 65 HH22 ARG 65 23.149 3.142 -32.353 605 H GLU 66 HN GLU 66 17.373 5.285 -31.793 606 HA GLU 66 HA GLU 66 14.719 5.838 -30.933 607 HB2 GLU 66 HB2 GLU 66 16.448 7.311 -32.336 608 HB3 GLU 66 HB1 GLU 66 15.625 6.596 -33.715 609 HG2 GLU 66 HG2 GLU 66 13.484 7.524 -32.951 610 HG3 GLU 66 HG1 GLU 66 14.227 8.104 -31.484 611 H VAL 67 HN VAL 67 13.066 4.526 -31.174 612 HA VAL 67 HA VAL 67 13.141 2.189 -32.803 613 HB VAL 67 HB VAL 67 10.927 1.647 -31.865 614 HG11 VAL 67 HG11 VAL 67 12.964 2.596 -29.804 615 HG12 VAL 67 HG12 VAL 67 12.902 1.012 -30.582 616 HG13 VAL 67 HG13 VAL 67 11.620 1.495 -29.466 617 HG21 VAL 67 HG21 VAL 67 9.956 3.925 -31.736 618 HG22 VAL 67 HG22 VAL 67 11.083 4.347 -30.444 619 HG23 VAL 67 HG23 VAL 67 9.856 3.105 -30.176 620 H VAL 68 HN VAL 68 12.375 5.282 -33.734 621 HA VAL 68 HA VAL 68 10.147 4.826 -35.468 622 HB VAL 68 HB VAL 68 10.561 6.990 -36.422 623 HG11 VAL 68 HG11 VAL 68 11.394 7.111 -33.498 624 HG12 VAL 68 HG12 VAL 68 9.736 7.071 -34.106 625 HG13 VAL 68 HG13 VAL 68 10.766 8.462 -34.448 626 HG21 VAL 68 HG21 VAL 68 12.656 8.298 -36.079 627 HG22 VAL 68 HG22 VAL 68 12.949 6.808 -36.976 628 HG23 VAL 68 HG23 VAL 68 13.383 6.907 -35.267 629 H HIS 69 HN HIS 69 13.407 3.822 -35.652 630 HA HIS 69 HA HIS 69 13.509 3.614 -38.589 631 HB2 HIS 69 HB2 HIS 69 15.588 2.788 -36.512 632 HB3 HIS 69 HB1 HIS 69 15.841 2.886 -38.254 633 HD1 HIS 69 HD1 HIS 69 15.890 5.348 -39.282 634 HD2 HIS 69 HD2 HIS 69 15.984 5.120 -35.137 635 HE1 HIS 69 HE1 HIS 69 16.554 7.642 -38.503 636 HE2 HIS 69 HE2 HIS 69 16.741 7.433 -35.999 637 H LEU 70 HN LEU 70 12.681 1.747 -35.832 638 HA LEU 70 HA LEU 70 12.370 -0.700 -37.435 639 HB2 LEU 70 HB2 LEU 70 13.039 -2.096 -35.503 640 HB3 LEU 70 HB1 LEU 70 14.363 -1.128 -36.112 641 HG LEU 70 HG LEU 70 12.795 -0.165 -33.688 642 HD11 LEU 70 HD11 LEU 70 14.365 -1.314 -32.196 643 HD12 LEU 70 HD12 LEU 70 15.105 -2.129 -33.578 644 HD13 LEU 70 HD13 LEU 70 13.426 -2.464 -33.147 645 HD21 LEU 70 HD21 LEU 70 15.692 0.244 -34.537 646 HD22 LEU 70 HD22 LEU 70 14.919 0.939 -33.107 647 HD23 LEU 70 HD23 LEU 70 14.383 1.417 -34.716 648 H ASP 71 HN ASP 71 11.220 -2.162 -35.164 649 HA ASP 71 HA ASP 71 8.544 -1.403 -35.168 650 HB2 ASP 71 HB2 ASP 71 10.098 -2.984 -33.081 651 HB3 ASP 71 HB1 ASP 71 8.342 -2.868 -33.118 652 H GLY 72 HN GLY 72 7.751 0.503 -34.449 653 HA2 GLY 72 HA2 GLY 72 8.929 2.043 -32.321 654 HA3 GLY 72 HA1 GLY 72 7.451 2.421 -33.182 655 H MET 73 HN MET 73 6.002 0.115 -32.753 656 HA MET 73 HA MET 73 4.951 0.772 -30.137 657 HB2 MET 73 HB2 MET 73 3.866 -1.164 -32.224 658 HB3 MET 73 HB1 MET 73 2.996 -0.542 -30.820 659 HG2 MET 73 HG2 MET 73 3.991 1.113 -33.164 660 HG3 MET 73 HG1 MET 73 2.323 0.616 -32.886 661 HE1 MET 73 HE1 MET 73 1.285 1.243 -30.171 662 HE2 MET 73 HE2 MET 73 0.617 2.099 -31.561 663 HE3 MET 73 HE3 MET 73 1.080 2.993 -30.117 664 H ALA 74 HN ALA 74 6.481 -2.112 -31.630 665 HA ALA 74 HA ALA 74 6.776 -3.289 -28.932 666 HB1 ALA 74 HB1 ALA 74 5.648 -4.866 -31.269 667 HB2 ALA 74 HB2 ALA 74 4.740 -4.313 -29.859 668 HB3 ALA 74 HB3 ALA 74 6.029 -5.504 -29.666 669 H THR 75 HN THR 75 8.895 -2.385 -29.354 670 HA THR 75 HA THR 75 10.648 -3.635 -31.284 671 HB THR 75 HB THR 75 11.170 -1.359 -30.960 672 HG1 THR 75 HG1 THR 75 13.046 -2.670 -30.943 673 HG21 THR 75 HG21 THR 75 11.297 -1.772 -27.953 674 HG22 THR 75 HG22 THR 75 9.981 -0.971 -28.811 675 HG23 THR 75 HG23 THR 75 11.595 -0.261 -28.811 676 H ALA 76 HN ALA 76 10.843 -3.453 -27.668 677 HA ALA 76 HA ALA 76 11.857 -6.004 -27.170 678 HB1 ALA 76 HB1 ALA 76 14.063 -3.944 -27.642 679 HB2 ALA 76 HB2 ALA 76 13.732 -5.352 -28.652 680 HB3 ALA 76 HB3 ALA 76 14.300 -5.574 -26.997 681 H LEU 77 HN LEU 77 10.186 -4.036 -25.993 682 HA LEU 77 HA LEU 77 11.465 -2.790 -23.762 683 HB2 LEU 77 HB2 LEU 77 9.395 -1.897 -24.926 684 HB3 LEU 77 HB1 LEU 77 8.482 -3.188 -24.161 685 HG LEU 77 HG LEU 77 9.133 -2.273 -21.910 686 HD11 LEU 77 HD11 LEU 77 10.351 0.007 -23.500 687 HD12 LEU 77 HD12 LEU 77 11.230 -1.173 -22.522 688 HD13 LEU 77 HD13 LEU 77 10.133 -0.034 -21.747 689 HD21 LEU 77 HD21 LEU 77 6.978 -1.636 -22.897 690 HD22 LEU 77 HD22 LEU 77 7.739 -0.262 -23.704 691 HD23 LEU 77 HD23 LEU 77 7.657 -0.319 -21.943 692 H ASP 78 HN ASP 78 11.448 -3.394 -21.642 693 HA ASP 78 HA ASP 78 10.325 -5.909 -20.697 694 HB2 ASP 78 HB2 ASP 78 12.483 -6.476 -21.929 695 HB3 ASP 78 HB1 ASP 78 13.350 -5.438 -20.810 696 H ASP 79 HN ASP 79 11.472 -6.121 -18.247 697 HA ASP 79 HA ASP 79 10.628 -3.796 -16.811 698 HB2 ASP 79 HB2 ASP 79 10.388 -6.088 -15.902 699 HB3 ASP 79 HB1 ASP 79 12.135 -6.291 -15.898 700 H GLY 80 HN GLY 80 11.840 -2.345 -15.623 701 HA2 GLY 80 HA2 GLY 80 13.535 -0.933 -15.049 702 HA3 GLY 80 HA1 GLY 80 14.678 -2.192 -15.480 703 H ASP 81 HN ASP 81 12.609 -1.461 -18.080 704 HA ASP 81 HA ASP 81 14.900 -0.452 -19.556 705 HB2 ASP 81 HB2 ASP 81 12.176 -1.493 -20.346 706 HB3 ASP 81 HB1 ASP 81 13.183 -0.662 -21.521 707 H ALA 82 HN ALA 82 15.178 1.504 -20.412 708 HA ALA 82 HA ALA 82 13.383 3.660 -19.601 709 HB1 ALA 82 HB1 ALA 82 15.762 3.923 -19.092 710 HB2 ALA 82 HB2 ALA 82 15.236 5.165 -20.230 711 HB3 ALA 82 HB3 ALA 82 16.174 3.783 -20.806 712 H VAL 83 HN VAL 83 11.919 4.482 -21.003 713 HA VAL 83 HA VAL 83 12.354 4.314 -23.939 714 HB VAL 83 HB VAL 83 9.742 4.995 -22.491 715 HG11 VAL 83 HG11 VAL 83 9.844 5.840 -24.794 716 HG12 VAL 83 HG12 VAL 83 8.678 4.522 -24.680 717 HG13 VAL 83 HG13 VAL 83 10.266 4.231 -25.393 718 HG21 VAL 83 HG21 VAL 83 10.331 2.706 -21.868 719 HG22 VAL 83 HG22 VAL 83 10.598 2.277 -23.563 720 HG23 VAL 83 HG23 VAL 83 8.976 2.686 -23.001 721 H SER 84 HN SER 84 13.411 6.137 -24.555 722 HA SER 84 HA SER 84 12.947 8.729 -23.237 723 HB2 SER 84 HB2 SER 84 15.022 7.769 -25.264 724 HB3 SER 84 HB1 SER 84 14.969 9.402 -24.612 725 HG SER 84 HG SER 84 16.353 8.329 -23.310 726 H VAL 85 HN VAL 85 11.146 9.750 -24.106 727 HA VAL 85 HA VAL 85 10.735 9.706 -27.013 728 HB VAL 85 HB VAL 85 8.414 10.249 -26.645 729 HG11 VAL 85 HG11 VAL 85 9.228 8.028 -24.722 730 HG12 VAL 85 HG12 VAL 85 8.984 7.862 -26.462 731 HG13 VAL 85 HG13 VAL 85 7.618 8.255 -25.419 732 HG21 VAL 85 HG21 VAL 85 9.044 10.477 -23.675 733 HG22 VAL 85 HG22 VAL 85 7.425 10.529 -24.380 734 HG23 VAL 85 HG23 VAL 85 8.590 11.798 -24.760 735 H PHE 86 HN PHE 86 10.458 11.512 -28.131 736 HA PHE 86 HA PHE 86 10.736 14.205 -26.945 737 HB2 PHE 86 HB2 PHE 86 11.988 13.294 -29.603 738 HB3 PHE 86 HB1 PHE 86 12.044 14.917 -28.942 739 HD1 PHE 86 HD2 PHE 86 13.089 11.409 -28.047 740 HD2 PHE 86 HD1 PHE 86 14.063 15.579 -27.899 741 HE1 PHE 86 HE2 PHE 86 15.277 10.881 -27.073 742 HE2 PHE 86 HE1 PHE 86 16.267 15.016 -26.946 743 HZ PHE 86 HZ PHE 86 16.866 12.647 -26.550 744 HA PRO 87 HA PRO 87 6.915 14.647 -29.441 745 HB2 PRO 87 HB2 PRO 87 6.863 17.412 -29.630 746 HB3 PRO 87 HB1 PRO 87 6.403 16.532 -28.166 747 HG2 PRO 87 HG2 PRO 87 9.048 17.793 -28.862 748 HG3 PRO 87 HG1 PRO 87 8.112 17.908 -27.356 749 HD2 PRO 87 HD2 PRO 87 10.181 16.239 -27.524 750 HD3 PRO 87 HD1 PRO 87 8.707 15.764 -26.649 751 HA PRO 88 HA PRO 88 8.253 15.502 -33.701 752 HB2 PRO 88 HB2 PRO 88 5.987 16.502 -34.854 753 HB3 PRO 88 HB1 PRO 88 6.138 14.794 -34.403 754 HG2 PRO 88 HG2 PRO 88 4.776 17.030 -32.898 755 HG3 PRO 88 HG1 PRO 88 4.180 15.389 -33.239 756 HD2 PRO 88 HD2 PRO 88 5.317 16.068 -30.842 757 HD3 PRO 88 HD1 PRO 88 5.466 14.434 -31.536 758 H VAL 89 HN VAL 89 9.476 17.180 -34.403 759 HA VAL 89 HA VAL 89 9.164 19.842 -33.171 760 HB VAL 89 HB VAL 89 11.470 20.299 -33.886 761 HG11 VAL 89 HG11 VAL 89 12.657 18.615 -32.511 762 HG12 VAL 89 HG12 VAL 89 11.227 17.579 -32.538 763 HG13 VAL 89 HG13 VAL 89 11.164 19.153 -31.739 764 HG21 VAL 89 HG21 VAL 89 12.869 18.572 -35.010 765 HG22 VAL 89 HG22 VAL 89 11.529 19.098 -36.031 766 HG23 VAL 89 HG23 VAL 89 11.441 17.546 -35.196 767 H ALA 90 HN ALA 90 8.429 18.251 -36.013 768 HA ALA 90 HA ALA 90 7.798 20.767 -37.405 769 HB1 ALA 90 HB1 ALA 90 9.085 18.322 -38.705 770 HB2 ALA 90 HB2 ALA 90 9.856 19.889 -38.445 771 HB3 ALA 90 HB3 ALA 90 8.494 19.756 -39.556 772 H GLY 91 HN GLY 91 5.638 20.666 -37.050 773 HA2 GLY 91 HA2 GLY 91 4.037 18.294 -37.103 774 HA3 GLY 91 HA1 GLY 91 3.453 19.951 -37.088 775 H GLY 92 HN GLY 92 4.344 17.241 -39.073 776 HA2 GLY 92 HA2 GLY 92 2.663 17.956 -41.237 777 HA3 GLY 92 HA1 GLY 92 4.335 18.350 -41.637 Start of MODEL 3 1 H1 GLY -13 HT1 GLY -13 -2.252 -0.359 -2.599 2 H2 GLY -13 HT2 GLY -13 -1.540 -0.273 -1.067 3 H3 GLY -13 HT3 GLY -13 -1.198 -1.576 -2.092 4 HA2 GLY -13 HA1 GLY -13 -0.489 1.250 -2.633 5 HA3 GLY -13 HA2 GLY -13 0.628 0.038 -2.013 6 H GLY -12 HN GLY -12 1.318 1.330 -4.283 7 HA2 GLY -12 HA2 GLY -12 2.349 0.752 -6.272 8 HA3 GLY -12 HA1 GLY -12 1.570 -0.820 -6.225 9 H GLY -11 HN GLY -11 -0.898 -0.695 -6.570 10 HA2 GLY -11 HA2 GLY -11 -2.814 0.320 -7.529 11 HA3 GLY -11 HA1 GLY -11 -1.784 1.453 -8.388 12 H ARG -10 HN ARG -10 0.013 -0.128 -9.632 13 HA ARG -10 HA ARG -10 -1.641 -1.652 -11.580 14 HB2 ARG -10 HB2 ARG -10 0.981 -0.176 -12.096 15 HB3 ARG -10 HB1 ARG -10 -0.053 -0.946 -13.301 16 HG2 ARG -10 HG2 ARG -10 -1.828 0.707 -12.843 17 HG3 ARG -10 HG1 ARG -10 -0.816 1.448 -11.601 18 HD2 ARG -10 HD2 ARG -10 -0.612 2.831 -13.522 19 HD3 ARG -10 HD1 ARG -10 0.890 1.921 -13.426 20 HE ARG -10 HE ARG -10 0.051 0.488 -15.222 21 HH11 ARG -10 HH11 ARG -10 -1.541 3.606 -14.815 22 HH12 ARG -10 HH12 ARG -10 -2.140 3.652 -16.442 23 HH21 ARG -10 HH21 ARG -10 -0.723 0.583 -17.369 24 HH22 ARG -10 HH22 ARG -10 -1.660 1.943 -17.894 25 H ASP -9 HN ASP -9 -1.004 -3.116 -9.523 26 HA ASP -9 HA ASP -9 1.513 -4.572 -9.939 27 HB2 ASP -9 HB2 ASP -9 -0.706 -4.910 -7.863 28 HB3 ASP -9 HB1 ASP -9 0.753 -5.905 -7.922 29 H TYR -8 HN TYR -8 -1.922 -4.900 -10.491 30 HA TYR -8 HA TYR -8 -3.285 -6.438 -11.402 31 HB2 TYR -8 HB2 TYR -8 -0.690 -7.455 -12.607 32 HB3 TYR -8 HB1 TYR -8 -2.227 -8.252 -12.926 33 HD1 TYR -8 HD2 TYR -8 -0.358 -5.042 -13.391 34 HD2 TYR -8 HD1 TYR -8 -3.801 -7.316 -14.504 35 HE1 TYR -8 HE2 TYR -8 -0.844 -3.434 -15.188 36 HE2 TYR -8 HE1 TYR -8 -4.287 -5.707 -16.290 37 HH TYR -8 HH TYR -8 -2.075 -3.474 -17.406 38 H LYS -7 HN LYS -7 -0.493 -8.552 -10.800 39 HA LYS -7 HA LYS -7 -0.179 -10.450 -9.662 40 HB2 LYS -7 HB2 LYS -7 -2.097 -9.172 -7.678 41 HB3 LYS -7 HB1 LYS -7 -1.065 -10.553 -7.343 42 HG2 LYS -7 HG2 LYS -7 0.938 -9.211 -7.601 43 HG3 LYS -7 HG1 LYS -7 -0.007 -7.832 -8.164 44 HD2 LYS -7 HD2 LYS -7 0.681 -7.488 -5.846 45 HD3 LYS -7 HD1 LYS -7 -1.074 -7.659 -5.931 46 HE2 LYS -7 HE2 LYS -7 -0.122 -8.892 -4.009 47 HE3 LYS -7 HE1 LYS -7 -0.895 -9.991 -5.149 48 HZ1 LYS -7 HZ1 LYS -7 1.260 -10.569 -6.026 49 HZ2 LYS -7 HZ2 LYS -7 1.243 -10.815 -4.353 50 HZ3 LYS -7 HZ3 LYS -7 2.023 -9.463 -5.004 51 H ASP -6 HN ASP -6 -1.185 -11.485 -11.461 52 HA ASP -6 HA ASP -6 -3.959 -11.741 -11.847 53 HB2 ASP -6 HB2 ASP -6 -2.138 -11.848 -13.622 54 HB3 ASP -6 HB1 ASP -6 -1.775 -13.480 -13.078 55 H ASP -5 HN ASP -5 -1.732 -14.503 -11.360 56 HA ASP -5 HA ASP -5 -3.728 -16.051 -9.911 57 HB2 ASP -5 HB2 ASP -5 -2.180 -17.214 -11.456 58 HB3 ASP -5 HB1 ASP -5 -0.794 -16.625 -10.549 59 H ASP -4 HN ASP -4 -0.535 -14.598 -9.261 60 HA ASP -4 HA ASP -4 -1.171 -13.852 -6.557 61 HB2 ASP -4 HB2 ASP -4 -0.678 -16.266 -6.212 62 HB3 ASP -4 HB1 ASP -4 0.887 -16.077 -6.996 63 H ASP -3 HN ASP -3 1.578 -14.649 -8.727 64 HA ASP -3 HA ASP -3 3.273 -12.510 -7.914 65 HB2 ASP -3 HB2 ASP -3 4.328 -14.380 -9.004 66 HB3 ASP -3 HB1 ASP -3 3.259 -14.277 -10.402 67 H LYS -2 HN LYS -2 3.725 -10.556 -8.892 68 HA LYS -2 HA LYS -2 1.579 -8.987 -9.706 69 HB2 LYS -2 HB2 LYS -2 3.251 -7.206 -10.114 70 HB3 LYS -2 HB1 LYS -2 3.550 -8.059 -8.601 71 HG2 LYS -2 HG2 LYS -2 5.373 -9.344 -9.665 72 HG3 LYS -2 HG1 LYS -2 5.064 -8.521 -11.199 73 HD2 LYS -2 HD2 LYS -2 5.588 -6.336 -9.997 74 HD3 LYS -2 HD1 LYS -2 6.126 -7.306 -8.623 75 HE2 LYS -2 HE2 LYS -2 7.305 -7.288 -11.425 76 HE3 LYS -2 HE1 LYS -2 8.058 -6.671 -9.954 77 HZ1 LYS -2 HZ1 LYS -2 7.423 -9.518 -10.534 78 HZ2 LYS -2 HZ2 LYS -2 8.107 -8.948 -9.096 79 HZ3 LYS -2 HZ3 LYS -2 8.961 -8.813 -10.551 80 H GLY -1 HN GLY -1 4.174 -10.409 -11.734 81 HA2 GLY -1 HA2 GLY -1 4.543 -10.464 -13.992 82 HA3 GLY -1 HA1 GLY -1 2.799 -10.578 -14.146 83 H THR 0 HN THR 0 5.120 -8.041 -13.198 84 HA THR 0 HA THR 0 3.957 -6.238 -15.218 85 HB THR 0 HB THR 0 4.054 -4.347 -13.511 86 HG1 THR 0 HG1 THR 0 3.773 -6.217 -11.466 87 HG21 THR 0 HG21 THR 0 1.894 -5.315 -14.183 88 HG22 THR 0 HG22 THR 0 1.881 -4.852 -12.481 89 HG23 THR 0 HG23 THR 0 2.046 -6.551 -12.930 90 H MET 1 HN MET 1 5.256 -4.794 -16.078 91 HA MET 1 HA MET 1 8.158 -5.012 -15.667 92 HB2 MET 1 HB2 MET 1 8.295 -4.137 -18.012 93 HB3 MET 1 HB1 MET 1 7.383 -5.633 -17.897 94 HG2 MET 1 HG2 MET 1 5.290 -4.096 -17.820 95 HG3 MET 1 HG1 MET 1 6.367 -2.851 -18.440 96 HE1 MET 1 HE1 MET 1 7.396 -4.488 -21.899 97 HE2 MET 1 HE2 MET 1 8.253 -4.686 -20.371 98 HE3 MET 1 HE3 MET 1 7.629 -3.101 -20.832 99 H GLU 2 HN GLU 2 9.077 -3.389 -14.518 100 HA GLU 2 HA GLU 2 7.879 -0.729 -14.372 101 HB2 GLU 2 HB2 GLU 2 8.903 -1.718 -12.334 102 HB3 GLU 2 HB1 GLU 2 10.476 -1.740 -13.128 103 HG2 GLU 2 HG2 GLU 2 10.363 0.756 -13.310 104 HG3 GLU 2 HG1 GLU 2 8.837 0.718 -12.428 105 H LEU 3 HN LEU 3 8.543 1.012 -15.551 106 HA LEU 3 HA LEU 3 10.723 0.606 -17.518 107 HB2 LEU 3 HB2 LEU 3 7.962 1.755 -18.103 108 HB3 LEU 3 HB1 LEU 3 9.246 1.423 -19.262 109 HG LEU 3 HG LEU 3 7.856 -0.758 -17.658 110 HD11 LEU 3 HD11 LEU 3 6.609 -1.285 -19.720 111 HD12 LEU 3 HD12 LEU 3 7.236 0.190 -20.462 112 HD13 LEU 3 HD13 LEU 3 6.188 0.288 -19.046 113 HD21 LEU 3 HD21 LEU 3 9.643 -0.924 -20.108 114 HD22 LEU 3 HD22 LEU 3 8.861 -2.282 -19.295 115 HD23 LEU 3 HD23 LEU 3 10.101 -1.353 -18.458 116 H GLU 4 HN GLU 4 12.053 2.342 -17.712 117 HA GLU 4 HA GLU 4 11.482 4.764 -16.167 118 HB2 GLU 4 HB2 GLU 4 13.731 3.684 -16.020 119 HB3 GLU 4 HB1 GLU 4 13.981 3.986 -17.726 120 HG2 GLU 4 HG2 GLU 4 13.914 6.417 -17.318 121 HG3 GLU 4 HG1 GLU 4 13.611 6.119 -15.601 122 H LEU 5 HN LEU 5 10.067 6.041 -17.276 123 HA LEU 5 HA LEU 5 10.311 6.318 -20.190 124 HB2 LEU 5 HB2 LEU 5 8.133 7.473 -18.432 125 HB3 LEU 5 HB1 LEU 5 8.097 7.215 -20.172 126 HG LEU 5 HG LEU 5 8.043 5.061 -18.019 127 HD11 LEU 5 HD11 LEU 5 5.903 5.936 -19.974 128 HD12 LEU 5 HD12 LEU 5 5.938 6.264 -18.239 129 HD13 LEU 5 HD13 LEU 5 5.784 4.608 -18.815 130 HD21 LEU 5 HD21 LEU 5 9.307 4.231 -19.944 131 HD22 LEU 5 HD22 LEU 5 8.001 4.695 -21.040 132 HD23 LEU 5 HD23 LEU 5 7.741 3.429 -19.835 133 H ARG 6 HN ARG 6 11.781 7.737 -20.689 134 HA ARG 6 HA ARG 6 12.246 10.185 -19.162 135 HB2 ARG 6 HB2 ARG 6 13.763 8.983 -21.529 136 HB3 ARG 6 HB1 ARG 6 14.282 10.354 -20.550 137 HG2 ARG 6 HG2 ARG 6 14.573 8.911 -18.592 138 HG3 ARG 6 HG1 ARG 6 13.906 7.528 -19.473 139 HD2 ARG 6 HD2 ARG 6 15.796 7.578 -21.025 140 HD3 ARG 6 HD1 ARG 6 16.450 9.010 -20.228 141 HE ARG 6 HE ARG 6 16.141 6.708 -18.502 142 HH11 ARG 6 HH11 ARG 6 18.347 8.372 -20.688 143 HH12 ARG 6 HH12 ARG 6 19.746 7.571 -20.052 144 HH21 ARG 6 HH21 ARG 6 17.996 5.659 -17.721 145 HH22 ARG 6 HH22 ARG 6 19.549 6.038 -18.397 146 H PHE 7 HN PHE 7 11.175 11.978 -19.762 147 HA PHE 7 HA PHE 7 10.104 12.286 -22.512 148 HB2 PHE 7 HB2 PHE 7 9.273 13.718 -19.942 149 HB3 PHE 7 HB1 PHE 7 8.545 13.948 -21.530 150 HD1 PHE 7 HD1 PHE 7 7.074 12.235 -22.509 151 HD2 PHE 7 HD2 PHE 7 8.831 11.705 -18.649 152 HE1 PHE 7 HE1 PHE 7 5.510 10.390 -22.047 153 HE2 PHE 7 HE2 PHE 7 7.277 9.858 -18.211 154 HZ PHE 7 HZ PHE 7 5.616 9.196 -19.897 155 H PHE 8 HN PHE 8 10.645 14.058 -23.729 156 HA PHE 8 HA PHE 8 12.430 16.103 -22.553 157 HB2 PHE 8 HB2 PHE 8 12.931 14.722 -25.236 158 HB3 PHE 8 HB1 PHE 8 13.910 16.014 -24.533 159 HD1 PHE 8 HD1 PHE 8 14.958 15.552 -22.176 160 HD2 PHE 8 HD2 PHE 8 13.504 12.465 -24.753 161 HE1 PHE 8 HE1 PHE 8 16.218 13.877 -20.889 162 HE2 PHE 8 HE2 PHE 8 14.770 10.807 -23.475 163 HZ PHE 8 HZ PHE 8 16.121 11.498 -21.522 164 H ALA 9 HN ALA 9 12.535 18.076 -23.737 165 HA ALA 9 HA ALA 9 11.673 19.921 -24.649 166 HB1 ALA 9 HB1 ALA 9 10.529 18.002 -26.678 167 HB2 ALA 9 HB2 ALA 9 12.134 18.734 -26.722 168 HB3 ALA 9 HB3 ALA 9 10.700 19.744 -26.900 169 H THR 10 HN THR 10 8.801 19.365 -26.180 170 HA THR 10 HA THR 10 7.160 20.629 -24.309 171 HB THR 10 HB THR 10 6.286 18.838 -26.621 172 HG1 THR 10 HG1 THR 10 6.771 21.652 -26.602 173 HG21 THR 10 HG21 THR 10 4.262 20.283 -26.665 174 HG22 THR 10 HG22 THR 10 4.834 21.124 -25.223 175 HG23 THR 10 HG23 THR 10 4.401 19.415 -25.133 176 H PHE 11 HN PHE 11 7.452 17.159 -25.147 177 HA PHE 11 HA PHE 11 5.385 16.133 -23.539 178 HB2 PHE 11 HB2 PHE 11 7.949 14.842 -24.527 179 HB3 PHE 11 HB1 PHE 11 6.760 13.945 -23.599 180 HD1 PHE 11 HD1 PHE 11 4.913 16.172 -25.650 181 HD2 PHE 11 HD2 PHE 11 7.210 12.564 -25.859 182 HE1 PHE 11 HE1 PHE 11 3.731 15.515 -27.706 183 HE2 PHE 11 HE2 PHE 11 6.015 11.932 -27.917 184 HZ PHE 11 HZ PHE 11 4.273 13.396 -28.831 185 H ARG 12 HN ARG 12 8.652 17.139 -22.710 186 HA ARG 12 HA ARG 12 8.897 15.813 -20.217 187 HB2 ARG 12 HB2 ARG 12 10.831 16.669 -21.474 188 HB3 ARG 12 HB1 ARG 12 10.310 18.312 -21.189 189 HG2 ARG 12 HG2 ARG 12 10.834 16.549 -18.809 190 HG3 ARG 12 HG1 ARG 12 12.219 17.128 -19.718 191 HD2 ARG 12 HD2 ARG 12 11.594 19.443 -19.266 192 HD3 ARG 12 HD1 ARG 12 10.098 18.923 -18.502 193 HE ARG 12 HE ARG 12 12.374 17.807 -17.194 194 HH11 ARG 12 HH11 ARG 12 10.466 20.761 -17.426 195 HH12 ARG 12 HH12 ARG 12 10.949 21.323 -15.862 196 HH21 ARG 12 HH21 ARG 12 13.014 18.623 -15.151 197 HH22 ARG 12 HH22 ARG 12 12.370 20.131 -14.587 198 H GLU 13 HN GLU 13 8.021 19.187 -21.028 199 HA GLU 13 HA GLU 13 7.603 19.890 -18.266 200 HB2 GLU 13 HB2 GLU 13 6.926 22.119 -19.148 201 HB3 GLU 13 HB1 GLU 13 8.486 21.576 -19.733 202 HG2 GLU 13 HG2 GLU 13 7.565 22.521 -21.635 203 HG3 GLU 13 HG1 GLU 13 7.194 20.817 -21.866 204 H VAL 14 HN VAL 14 5.548 18.644 -20.770 205 HA VAL 14 HA VAL 14 2.998 19.097 -19.651 206 HB VAL 14 HB VAL 14 4.083 16.752 -21.274 207 HG11 VAL 14 HG11 VAL 14 2.236 15.871 -19.930 208 HG12 VAL 14 HG12 VAL 14 1.753 15.997 -21.619 209 HG13 VAL 14 HG13 VAL 14 1.190 17.197 -20.451 210 HG21 VAL 14 HG21 VAL 14 2.223 19.031 -22.055 211 HG22 VAL 14 HG22 VAL 14 2.759 17.726 -23.120 212 HG23 VAL 14 HG23 VAL 14 3.930 18.888 -22.491 213 H VAL 15 HN VAL 15 5.208 16.355 -19.215 214 HA VAL 15 HA VAL 15 3.771 15.164 -17.031 215 HB VAL 15 HB VAL 15 6.606 14.649 -18.068 216 HG11 VAL 15 HG11 VAL 15 4.890 12.871 -16.293 217 HG12 VAL 15 HG12 VAL 15 6.345 13.738 -15.793 218 HG13 VAL 15 HG13 VAL 15 6.461 12.437 -16.981 219 HG21 VAL 15 HG21 VAL 15 4.903 14.298 -19.817 220 HG22 VAL 15 HG22 VAL 15 3.999 13.228 -18.741 221 HG23 VAL 15 HG23 VAL 15 5.601 12.757 -19.312 222 H GLY 16 HN GLY 16 6.019 17.718 -17.336 223 HA2 GLY 16 HA2 GLY 16 7.120 19.094 -15.882 224 HA3 GLY 16 HA1 GLY 16 6.223 18.352 -14.564 225 H GLN 17 HN GLN 17 7.904 16.142 -16.545 226 HA GLN 17 HA GLN 17 10.234 15.953 -14.771 227 HB2 GLN 17 HB2 GLN 17 8.673 13.419 -15.403 228 HB3 GLN 17 HB1 GLN 17 9.917 13.685 -14.183 229 HG2 GLN 17 HG2 GLN 17 8.075 15.257 -13.100 230 HG3 GLN 17 HG1 GLN 17 6.977 14.341 -14.115 231 HE21 GLN 17 HE21 GLN 17 5.932 13.355 -12.395 232 HE22 GLN 17 HE22 GLN 17 6.679 12.158 -11.400 233 H LYS 18 HN LYS 18 11.996 15.069 -15.768 234 HA LYS 18 HA LYS 18 11.878 14.670 -18.674 235 HB2 LYS 18 HB2 LYS 18 14.389 14.743 -18.515 236 HB3 LYS 18 HB1 LYS 18 13.570 16.212 -17.993 237 HG2 LYS 18 HG2 LYS 18 13.891 15.579 -15.635 238 HG3 LYS 18 HG1 LYS 18 14.690 14.078 -16.131 239 HD2 LYS 18 HD2 LYS 18 15.672 16.861 -16.891 240 HD3 LYS 18 HD1 LYS 18 16.250 15.976 -15.465 241 HE2 LYS 18 HE2 LYS 18 17.098 14.165 -16.900 242 HE3 LYS 18 HE1 LYS 18 16.461 14.973 -18.335 243 HZ1 LYS 18 HZ1 LYS 18 18.815 15.331 -18.067 244 HZ2 LYS 18 HZ2 LYS 18 18.575 16.029 -16.549 245 HZ3 LYS 18 HZ3 LYS 18 17.976 16.796 -17.934 246 H SER 19 HN SER 19 12.061 12.798 -15.807 247 HA SER 19 HA SER 19 11.988 10.349 -17.366 248 HB2 SER 19 HB2 SER 19 14.052 10.471 -15.117 249 HB3 SER 19 HB1 SER 19 13.819 9.204 -16.315 250 HG SER 19 HG SER 19 14.428 10.982 -17.873 251 H ILE 20 HN ILE 20 10.657 8.901 -16.348 252 HA ILE 20 HA ILE 20 10.110 9.105 -13.432 253 HB ILE 20 HB ILE 20 7.746 8.548 -13.790 254 HG12 ILE 20 HG12 ILE 20 8.407 8.535 -16.768 255 HG13 ILE 20 HG11 ILE 20 7.907 7.149 -15.799 256 HG21 ILE 20 HG21 ILE 20 8.296 10.948 -13.825 257 HG22 ILE 20 HG22 ILE 20 6.903 10.609 -14.852 258 HG23 ILE 20 HG23 ILE 20 8.490 10.888 -15.578 259 HD11 ILE 20 HD11 ILE 20 6.213 9.535 -16.537 260 HD12 ILE 20 HD12 ILE 20 5.699 8.219 -15.477 261 HD13 ILE 20 HD13 ILE 20 6.083 7.891 -17.166 262 H TYR 21 HN TYR 21 9.155 6.951 -12.650 263 HA TYR 21 HA TYR 21 9.764 4.657 -14.430 264 HB2 TYR 21 HB2 TYR 21 9.857 4.743 -11.372 265 HB3 TYR 21 HB1 TYR 21 9.888 3.257 -12.316 266 HD1 TYR 21 HD2 TYR 21 11.873 2.674 -13.702 267 HD2 TYR 21 HD1 TYR 21 11.849 6.165 -11.230 268 HE1 TYR 21 HE2 TYR 21 14.314 2.817 -13.885 269 HE2 TYR 21 HE1 TYR 21 14.293 6.307 -11.419 270 HH TYR 21 HH TYR 21 16.065 4.669 -13.707 271 H TRP 22 HN TRP 22 7.881 4.174 -15.304 272 HA TRP 22 HA TRP 22 5.368 4.035 -13.805 273 HB2 TRP 22 HB2 TRP 22 6.196 4.030 -16.658 274 HB3 TRP 22 HB1 TRP 22 4.987 2.802 -16.329 275 HD1 TRP 22 HD1 TRP 22 4.916 6.366 -14.746 276 HE1 TRP 22 HE1 TRP 22 2.800 7.544 -15.627 277 HE3 TRP 22 HE3 TRP 22 3.298 2.781 -17.973 278 HZ2 TRP 22 HZ2 TRP 22 0.708 7.016 -17.471 279 HZ3 TRP 22 HZ3 TRP 22 1.231 3.169 -19.238 280 HH2 TRP 22 HH2 TRP 22 -0.027 5.240 -18.977 281 H ARG 23 HN ARG 23 4.131 1.928 -14.186 282 HA ARG 23 HA ARG 23 5.684 -0.446 -14.755 283 HB2 ARG 23 HB2 ARG 23 6.047 -0.088 -12.303 284 HB3 ARG 23 HB1 ARG 23 4.308 -0.186 -12.041 285 HG2 ARG 23 HG2 ARG 23 4.256 -2.503 -12.705 286 HG3 ARG 23 HG1 ARG 23 5.924 -2.438 -13.280 287 HD2 ARG 23 HD2 ARG 23 5.675 -3.577 -11.065 288 HD3 ARG 23 HD1 ARG 23 6.758 -2.184 -11.020 289 HE ARG 23 HE ARG 23 5.035 -0.912 -9.942 290 HH11 ARG 23 HH11 ARG 23 4.298 -4.347 -10.111 291 HH12 ARG 23 HH12 ARG 23 3.215 -4.288 -8.754 292 HH21 ARG 23 HH21 ARG 23 3.590 -0.844 -8.230 293 HH22 ARG 23 HH22 ARG 23 2.804 -2.293 -7.691 294 H VAL 24 HN VAL 24 4.462 -1.261 -16.269 295 HA VAL 24 HA VAL 24 1.516 -1.520 -15.923 296 HB VAL 24 HB VAL 24 1.451 -1.814 -18.440 297 HG11 VAL 24 HG11 VAL 24 2.602 0.846 -17.515 298 HG12 VAL 24 HG12 VAL 24 0.899 0.382 -17.484 299 HG13 VAL 24 HG13 VAL 24 1.730 0.578 -19.028 300 HG21 VAL 24 HG21 VAL 24 3.406 -1.100 -19.808 301 HG22 VAL 24 HG22 VAL 24 3.771 -2.530 -18.838 302 HG23 VAL 24 HG23 VAL 24 4.369 -0.947 -18.334 303 H ASP 25 HN ASP 25 0.795 -3.632 -17.271 304 HA ASP 25 HA ASP 25 1.952 -5.949 -16.134 305 HB2 ASP 25 HB2 ASP 25 0.606 -7.222 -17.856 306 HB3 ASP 25 HB1 ASP 25 -0.331 -6.055 -16.923 307 H ASP 26 HN ASP 26 3.228 -7.659 -17.138 308 HA ASP 26 HA ASP 26 5.500 -6.570 -18.505 309 HB2 ASP 26 HB2 ASP 26 6.566 -8.670 -18.160 310 HB3 ASP 26 HB1 ASP 26 5.588 -8.375 -16.727 311 H ASP 27 HN ASP 27 2.612 -7.822 -19.698 312 HA ASP 27 HA ASP 27 3.588 -9.008 -22.158 313 HB2 ASP 27 HB2 ASP 27 1.531 -9.837 -21.155 314 HB3 ASP 27 HB1 ASP 27 0.818 -8.230 -21.151 315 H ALA 28 HN ALA 28 2.822 -5.869 -21.024 316 HA ALA 28 HA ALA 28 2.071 -4.532 -23.403 317 HB1 ALA 28 HB1 ALA 28 3.362 -3.405 -20.898 318 HB2 ALA 28 HB2 ALA 28 1.632 -3.645 -21.146 319 HB3 ALA 28 HB3 ALA 28 2.508 -2.479 -22.138 320 H THR 29 HN THR 29 3.292 -2.872 -24.487 321 HA THR 29 HA THR 29 6.230 -3.080 -24.557 322 HB THR 29 HB THR 29 6.105 -2.953 -27.129 323 HG1 THR 29 HG1 THR 29 3.434 -3.758 -26.575 324 HG21 THR 29 HG21 THR 29 5.791 -5.377 -27.452 325 HG22 THR 29 HG22 THR 29 5.060 -5.496 -25.851 326 HG23 THR 29 HG23 THR 29 6.761 -5.050 -26.012 327 H VAL 30 HN VAL 30 6.837 -1.267 -26.465 328 HA VAL 30 HA VAL 30 6.710 1.164 -25.140 329 HB VAL 30 HB VAL 30 7.232 0.727 -28.105 330 HG11 VAL 30 HG11 VAL 30 7.985 3.129 -26.387 331 HG12 VAL 30 HG12 VAL 30 6.771 3.115 -27.668 332 HG13 VAL 30 HG13 VAL 30 8.473 2.880 -28.067 333 HG21 VAL 30 HG21 VAL 30 9.630 0.712 -27.508 334 HG22 VAL 30 HG22 VAL 30 8.759 -0.593 -26.700 335 HG23 VAL 30 HG23 VAL 30 9.209 0.857 -25.797 336 H GLY 31 HN GLY 31 4.575 -0.094 -27.611 337 HA2 GLY 31 HA2 GLY 31 3.106 2.264 -28.223 338 HA3 GLY 31 HA1 GLY 31 2.652 0.612 -28.600 339 H ASP 32 HN ASP 32 2.416 -0.519 -26.098 340 HA ASP 32 HA ASP 32 -0.128 0.310 -25.178 341 HB2 ASP 32 HB2 ASP 32 1.913 -1.464 -23.753 342 HB3 ASP 32 HB1 ASP 32 0.205 -1.328 -23.332 343 H VAL 33 HN VAL 33 3.127 1.056 -24.144 344 HA VAL 33 HA VAL 33 2.622 2.318 -21.654 345 HB VAL 33 HB VAL 33 4.869 2.650 -23.689 346 HG11 VAL 33 HG11 VAL 33 6.202 3.731 -21.907 347 HG12 VAL 33 HG12 VAL 33 4.787 3.740 -20.851 348 HG13 VAL 33 HG13 VAL 33 4.786 4.695 -22.335 349 HG21 VAL 33 HG21 VAL 33 4.738 1.105 -21.075 350 HG22 VAL 33 HG22 VAL 33 6.167 1.252 -22.104 351 HG23 VAL 33 HG23 VAL 33 4.734 0.414 -22.702 352 H LEU 34 HN LEU 34 3.278 3.833 -24.858 353 HA LEU 34 HA LEU 34 2.558 6.425 -23.941 354 HB2 LEU 34 HB2 LEU 34 2.640 7.056 -26.429 355 HB3 LEU 34 HB1 LEU 34 4.104 6.508 -25.647 356 HG LEU 34 HG LEU 34 3.595 4.205 -26.745 357 HD11 LEU 34 HD11 LEU 34 2.336 4.237 -28.822 358 HD12 LEU 34 HD12 LEU 34 1.847 5.905 -28.518 359 HD13 LEU 34 HD13 LEU 34 1.301 4.614 -27.443 360 HD21 LEU 34 HD21 LEU 34 4.401 6.543 -28.507 361 HD22 LEU 34 HD22 LEU 34 4.767 4.839 -28.806 362 HD23 LEU 34 HD23 LEU 34 5.469 5.659 -27.413 363 H ARG 35 HN ARG 35 0.701 3.877 -25.461 364 HA ARG 35 HA ARG 35 -1.716 5.123 -25.990 365 HB2 ARG 35 HB2 ARG 35 -1.409 2.804 -26.550 366 HB3 ARG 35 HB1 ARG 35 -1.092 2.357 -24.890 367 HG2 ARG 35 HG2 ARG 35 -3.329 1.631 -25.875 368 HG3 ARG 35 HG1 ARG 35 -3.396 2.436 -24.302 369 HD2 ARG 35 HD2 ARG 35 -4.054 4.512 -25.320 370 HD3 ARG 35 HD1 ARG 35 -3.871 3.840 -26.958 371 HE ARG 35 HE ARG 35 -5.747 2.263 -25.649 372 HH11 ARG 35 HH11 ARG 35 -5.491 5.651 -26.587 373 HH12 ARG 35 HH12 ARG 35 -7.201 5.844 -26.784 374 HH21 ARG 35 HH21 ARG 35 -7.989 2.551 -25.924 375 HH22 ARG 35 HH22 ARG 35 -8.613 4.097 -26.403 376 H SER 36 HN SER 36 -0.587 3.825 -22.923 377 HA SER 36 HA SER 36 -2.910 4.630 -21.456 378 HB2 SER 36 HB2 SER 36 -0.245 3.561 -20.536 379 HB3 SER 36 HB1 SER 36 -1.693 3.719 -19.546 380 HG SER 36 HG SER 36 -1.541 2.172 -21.910 381 H LEU 37 HN LEU 37 0.292 6.020 -22.034 382 HA LEU 37 HA LEU 37 0.405 7.986 -20.050 383 HB2 LEU 37 HB2 LEU 37 1.722 7.603 -22.689 384 HB3 LEU 37 HB1 LEU 37 1.640 9.270 -22.188 385 HG LEU 37 HG LEU 37 3.771 8.425 -21.533 386 HD11 LEU 37 HD11 LEU 37 2.045 8.599 -19.041 387 HD12 LEU 37 HD12 LEU 37 2.732 9.961 -19.929 388 HD13 LEU 37 HD13 LEU 37 3.798 8.817 -19.124 389 HD21 LEU 37 HD21 LEU 37 4.078 6.522 -20.021 390 HD22 LEU 37 HD22 LEU 37 3.356 6.063 -21.554 391 HD23 LEU 37 HD23 LEU 37 2.352 6.177 -20.112 392 H GLU 38 HN GLU 38 -1.068 8.264 -23.344 393 HA GLU 38 HA GLU 38 -2.002 10.940 -22.953 394 HB2 GLU 38 HB2 GLU 38 -3.552 10.508 -24.886 395 HB3 GLU 38 HB1 GLU 38 -1.861 10.203 -25.221 396 HG2 GLU 38 HG2 GLU 38 -2.155 7.865 -25.283 397 HG3 GLU 38 HG1 GLU 38 -3.708 7.941 -24.445 398 H ALA 39 HN ALA 39 -3.281 7.836 -22.027 399 HA ALA 39 HA ALA 39 -5.978 8.567 -21.566 400 HB1 ALA 39 HB1 ALA 39 -5.202 6.226 -21.720 401 HB2 ALA 39 HB2 ALA 39 -6.118 6.507 -20.240 402 HB3 ALA 39 HB3 ALA 39 -4.353 6.399 -20.184 403 H GLU 40 HN GLU 40 -3.049 9.185 -19.745 404 HA GLU 40 HA GLU 40 -4.564 10.092 -17.374 405 HB2 GLU 40 HB2 GLU 40 -1.540 10.034 -17.596 406 HB3 GLU 40 HB1 GLU 40 -2.546 10.048 -16.141 407 HG2 GLU 40 HG2 GLU 40 -3.372 7.726 -17.010 408 HG3 GLU 40 HG1 GLU 40 -1.929 7.786 -18.025 409 H TYR 41 HN TYR 41 -1.903 11.221 -19.466 410 HA TYR 41 HA TYR 41 -2.126 13.936 -18.487 411 HB2 TYR 41 HB2 TYR 41 -0.185 12.671 -20.465 412 HB3 TYR 41 HB1 TYR 41 -0.094 14.343 -19.923 413 HD1 TYR 41 HD2 TYR 41 0.192 10.799 -18.763 414 HD2 TYR 41 HD1 TYR 41 1.005 14.897 -17.833 415 HE1 TYR 41 HE2 TYR 41 1.616 10.097 -16.888 416 HE2 TYR 41 HE1 TYR 41 2.449 14.190 -15.958 417 HH TYR 41 HH TYR 41 3.551 11.059 -15.558 418 H ASP 42 HN ASP 42 -3.383 15.384 -19.432 419 HA ASP 42 HA ASP 42 -4.783 15.046 -21.876 420 HB2 ASP 42 HB2 ASP 42 -4.350 17.554 -20.192 421 HB3 ASP 42 HB1 ASP 42 -5.511 17.414 -21.514 422 H GLY 43 HN GLY 43 -1.798 16.642 -21.000 423 HA2 GLY 43 HA2 GLY 43 -1.404 18.065 -23.497 424 HA3 GLY 43 HA1 GLY 43 -0.288 17.962 -22.144 425 H LEU 44 HN LEU 44 -1.118 14.829 -22.748 426 HA LEU 44 HA LEU 44 0.930 14.432 -24.855 427 HB2 LEU 44 HB2 LEU 44 0.103 12.600 -22.598 428 HB3 LEU 44 HB1 LEU 44 1.104 12.078 -23.929 429 HG LEU 44 HG LEU 44 1.828 14.145 -21.828 430 HD11 LEU 44 HD11 LEU 44 2.954 11.376 -22.322 431 HD12 LEU 44 HD12 LEU 44 1.940 11.879 -20.966 432 HD13 LEU 44 HD13 LEU 44 3.561 12.544 -21.143 433 HD21 LEU 44 HD21 LEU 44 2.799 14.830 -23.951 434 HD22 LEU 44 HD22 LEU 44 3.470 13.217 -24.206 435 HD23 LEU 44 HD23 LEU 44 4.066 14.225 -22.883 436 H ALA 45 HN ALA 45 -2.271 14.724 -24.703 437 HA ALA 45 HA ALA 45 -3.233 12.178 -25.617 438 HB1 ALA 45 HB1 ALA 45 -4.582 14.896 -25.717 439 HB2 ALA 45 HB2 ALA 45 -4.654 13.752 -24.372 440 HB3 ALA 45 HB3 ALA 45 -5.371 13.329 -25.928 441 H GLY 46 HN GLY 46 -2.951 11.338 -27.603 442 HA2 GLY 46 HA2 GLY 46 -3.184 11.051 -29.864 443 HA3 GLY 46 HA1 GLY 46 -3.966 12.615 -29.932 444 H ARG 47 HN ARG 47 -0.793 12.602 -28.648 445 HA ARG 47 HA ARG 47 0.397 13.558 -31.207 446 HB2 ARG 47 HB2 ARG 47 1.828 15.043 -29.746 447 HB3 ARG 47 HB1 ARG 47 0.109 15.441 -29.721 448 HG2 ARG 47 HG2 ARG 47 -0.046 14.045 -27.585 449 HG3 ARG 47 HG1 ARG 47 1.721 14.024 -27.582 450 HD2 ARG 47 HD2 ARG 47 0.742 15.776 -26.123 451 HD3 ARG 47 HD1 ARG 47 1.785 16.437 -27.358 452 HE ARG 47 HE ARG 47 -0.864 16.439 -28.305 453 HH11 ARG 47 HH11 ARG 47 1.024 18.120 -25.864 454 HH12 ARG 47 HH12 ARG 47 0.051 19.553 -25.942 455 HH21 ARG 47 HH21 ARG 47 -2.122 18.308 -28.376 456 HH22 ARG 47 HH22 ARG 47 -1.725 19.657 -27.360 457 H LEU 48 HN LEU 48 0.418 11.157 -28.969 458 HA LEU 48 HA LEU 48 3.198 10.311 -29.505 459 HB2 LEU 48 HB2 LEU 48 3.332 9.302 -27.364 460 HB3 LEU 48 HB1 LEU 48 2.712 10.916 -27.095 461 HG LEU 48 HG LEU 48 1.380 8.239 -26.676 462 HD11 LEU 48 HD11 LEU 48 1.551 10.718 -24.960 463 HD12 LEU 48 HD12 LEU 48 2.501 9.242 -24.789 464 HD13 LEU 48 HD13 LEU 48 0.763 9.202 -24.507 465 HD21 LEU 48 HD21 LEU 48 -0.813 9.238 -26.391 466 HD22 LEU 48 HD22 LEU 48 -0.258 9.358 -28.051 467 HD23 LEU 48 HD23 LEU 48 -0.215 10.777 -27.010 468 H ILE 49 HN ILE 49 -0.027 9.762 -30.129 469 HA ILE 49 HA ILE 49 0.580 7.155 -31.383 470 HB ILE 49 HB ILE 49 -2.073 7.934 -30.090 471 HG12 ILE 49 HG12 ILE 49 -0.221 5.603 -29.483 472 HG13 ILE 49 HG11 ILE 49 -0.406 7.042 -28.485 473 HG21 ILE 49 HG21 ILE 49 -2.480 6.765 -32.258 474 HG22 ILE 49 HG22 ILE 49 -2.972 5.758 -30.898 475 HG23 ILE 49 HG23 ILE 49 -1.451 5.431 -31.732 476 HD11 ILE 49 HD11 ILE 49 -1.604 4.977 -27.741 477 HD12 ILE 49 HD12 ILE 49 -2.693 5.178 -29.105 478 HD13 ILE 49 HD13 ILE 49 -2.594 6.425 -27.856 479 H GLU 50 HN GLU 50 0.058 7.142 -33.563 480 HA GLU 50 HA GLU 50 -2.258 8.571 -34.555 481 HB2 GLU 50 HB2 GLU 50 -0.141 10.144 -34.710 482 HB3 GLU 50 HB1 GLU 50 0.350 9.108 -36.035 483 HG2 GLU 50 HG2 GLU 50 -2.268 10.652 -35.944 484 HG3 GLU 50 HG1 GLU 50 -0.792 11.264 -36.684 485 H ASP 51 HN ASP 51 -3.262 7.195 -35.897 486 HA ASP 51 HA ASP 51 -3.784 5.517 -37.333 487 HB2 ASP 51 HB2 ASP 51 -2.268 6.894 -38.816 488 HB3 ASP 51 HB1 ASP 51 -0.937 5.837 -38.365 489 H GLY 52 HN GLY 52 -2.737 4.877 -34.726 490 HA2 GLY 52 HA2 GLY 52 -2.536 2.946 -33.514 491 HA3 GLY 52 HA1 GLY 52 -2.453 2.024 -35.006 492 H GLU 53 HN GLU 53 -0.090 4.219 -35.455 493 HA GLU 53 HA GLU 53 2.004 2.692 -34.024 494 HB2 GLU 53 HB2 GLU 53 3.605 3.585 -35.652 495 HB3 GLU 53 HB1 GLU 53 2.320 2.702 -36.461 496 HG2 GLU 53 HG2 GLU 53 1.365 4.642 -37.363 497 HG3 GLU 53 HG1 GLU 53 2.152 5.705 -36.203 498 H VAL 54 HN VAL 54 4.049 4.472 -33.920 499 HA VAL 54 HA VAL 54 3.402 5.895 -31.607 500 HB VAL 54 HB VAL 54 5.711 6.939 -31.797 501 HG11 VAL 54 HG11 VAL 54 6.943 4.793 -31.500 502 HG12 VAL 54 HG12 VAL 54 5.561 3.918 -32.164 503 HG13 VAL 54 HG13 VAL 54 5.400 4.794 -30.640 504 HG21 VAL 54 HG21 VAL 54 5.922 7.096 -34.254 505 HG22 VAL 54 HG22 VAL 54 5.883 5.336 -34.388 506 HG23 VAL 54 HG23 VAL 54 7.246 6.127 -33.591 507 H LYS 55 HN LYS 55 4.119 7.357 -34.882 508 HA LYS 55 HA LYS 55 2.293 9.197 -35.338 509 HB2 LYS 55 HB2 LYS 55 2.212 10.294 -33.214 510 HB3 LYS 55 HB1 LYS 55 3.945 10.334 -33.051 511 HG2 LYS 55 HG2 LYS 55 3.410 12.576 -33.385 512 HG3 LYS 55 HG1 LYS 55 3.867 12.065 -35.007 513 HD2 LYS 55 HD2 LYS 55 1.878 13.435 -35.156 514 HD3 LYS 55 HD1 LYS 55 1.441 11.777 -35.565 515 HE2 LYS 55 HE2 LYS 55 0.459 11.457 -33.350 516 HE3 LYS 55 HE1 LYS 55 0.997 13.060 -32.846 517 HZ1 LYS 55 HZ1 LYS 55 -0.485 14.054 -34.417 518 HZ2 LYS 55 HZ2 LYS 55 -1.357 12.974 -33.454 519 HZ3 LYS 55 HZ3 LYS 55 -0.942 12.547 -35.038 520 HA PRO 56 HA PRO 56 5.431 10.137 -38.525 521 HB2 PRO 56 HB2 PRO 56 4.122 12.506 -39.378 522 HB3 PRO 56 HB1 PRO 56 3.844 10.884 -40.027 523 HG2 PRO 56 HG2 PRO 56 2.323 12.370 -37.886 524 HG3 PRO 56 HG1 PRO 56 1.688 11.387 -39.217 525 HD2 PRO 56 HD2 PRO 56 1.762 10.370 -36.783 526 HD3 PRO 56 HD1 PRO 56 2.270 9.355 -38.156 527 H HIS 57 HN HIS 57 7.323 10.972 -37.919 528 HA HIS 57 HA HIS 57 8.938 12.502 -37.599 529 HB2 HIS 57 HB2 HIS 57 6.696 14.558 -37.471 530 HB3 HIS 57 HB1 HIS 57 8.408 14.960 -37.495 531 HD1 HIS 57 HD1 HIS 57 9.509 15.134 -39.782 532 HD2 HIS 57 HD2 HIS 57 5.785 13.301 -39.949 533 HE1 HIS 57 HE1 HIS 57 8.981 14.888 -42.231 534 HE2 HIS 57 HE2 HIS 57 6.651 13.942 -42.295 535 H VAL 58 HN VAL 58 6.886 11.540 -35.206 536 HA VAL 58 HA VAL 58 8.032 13.074 -33.022 537 HB VAL 58 HB VAL 58 5.733 11.844 -32.934 538 HG11 VAL 58 HG11 VAL 58 5.690 9.541 -32.101 539 HG12 VAL 58 HG12 VAL 58 7.447 9.444 -32.219 540 HG13 VAL 58 HG13 VAL 58 6.474 9.606 -33.682 541 HG21 VAL 58 HG21 VAL 58 6.721 12.940 -30.974 542 HG22 VAL 58 HG22 VAL 58 7.649 11.485 -30.608 543 HG23 VAL 58 HG23 VAL 58 5.884 11.458 -30.500 544 H ASN 59 HN ASN 59 9.935 12.581 -31.923 545 HA ASN 59 HA ASN 59 11.508 10.310 -32.986 546 HB2 ASN 59 HB2 ASN 59 12.365 12.785 -31.425 547 HB3 ASN 59 HB1 ASN 59 13.459 11.492 -31.914 548 HD21 ASN 59 HD21 ASN 59 13.951 11.235 -34.137 549 HD22 ASN 59 HD22 ASN 59 13.653 12.490 -35.292 550 H VAL 60 HN VAL 60 11.048 8.545 -31.872 551 HA VAL 60 HA VAL 60 11.022 8.628 -28.909 552 HB VAL 60 HB VAL 60 9.487 6.567 -29.084 553 HG11 VAL 60 HG11 VAL 60 7.421 7.949 -29.228 554 HG12 VAL 60 HG12 VAL 60 8.351 9.273 -29.938 555 HG13 VAL 60 HG13 VAL 60 8.669 8.763 -28.275 556 HG21 VAL 60 HG21 VAL 60 9.001 7.649 -31.895 557 HG22 VAL 60 HG22 VAL 60 8.068 6.374 -31.103 558 HG23 VAL 60 HG23 VAL 60 9.765 6.105 -31.500 559 H LEU 61 HN LEU 61 11.947 6.908 -27.865 560 HA LEU 61 HA LEU 61 13.981 5.397 -29.349 561 HB2 LEU 61 HB2 LEU 61 14.476 7.202 -26.966 562 HB3 LEU 61 HB1 LEU 61 15.643 6.039 -27.551 563 HG LEU 61 HG LEU 61 15.615 7.388 -29.739 564 HD11 LEU 61 HD11 LEU 61 14.266 9.446 -28.033 565 HD12 LEU 61 HD12 LEU 61 13.625 8.676 -29.485 566 HD13 LEU 61 HD13 LEU 61 15.014 9.744 -29.602 567 HD21 LEU 61 HD21 LEU 61 16.723 8.738 -27.271 568 HD22 LEU 61 HD22 LEU 61 17.250 9.022 -28.933 569 HD23 LEU 61 HD23 LEU 61 17.510 7.448 -28.184 570 H LYS 62 HN LYS 62 14.326 3.404 -28.539 571 HA LYS 62 HA LYS 62 13.328 2.639 -25.875 572 HB2 LYS 62 HB2 LYS 62 12.547 1.153 -27.592 573 HB3 LYS 62 HB1 LYS 62 14.121 1.068 -28.358 574 HG2 LYS 62 HG2 LYS 62 13.637 -1.009 -27.249 575 HG3 LYS 62 HG1 LYS 62 14.988 -0.214 -26.438 576 HD2 LYS 62 HD2 LYS 62 13.159 0.694 -24.810 577 HD3 LYS 62 HD1 LYS 62 12.127 -0.565 -25.510 578 HE2 LYS 62 HE2 LYS 62 14.764 -0.949 -24.057 579 HE3 LYS 62 HE1 LYS 62 13.156 -1.380 -23.492 580 HZ1 LYS 62 HZ1 LYS 62 14.592 -2.615 -25.768 581 HZ2 LYS 62 HZ2 LYS 62 13.020 -3.005 -25.290 582 HZ3 LYS 62 HZ3 LYS 62 14.317 -3.310 -24.251 583 H ASN 63 HN ASN 63 14.887 3.216 -24.449 584 HA ASN 63 HA ASN 63 16.813 3.292 -23.279 585 HB2 ASN 63 HB2 ASN 63 16.396 0.787 -23.497 586 HB3 ASN 63 HB1 ASN 63 17.535 0.765 -24.836 587 HD21 ASN 63 HD21 ASN 63 18.894 -0.694 -23.717 588 HD22 ASN 63 HD22 ASN 63 19.867 -0.192 -22.379 589 H GLY 64 HN GLY 64 16.764 4.871 -25.626 590 HA2 GLY 64 HA2 GLY 64 18.311 6.433 -26.433 591 HA3 GLY 64 HA1 GLY 64 19.624 5.337 -26.057 592 H ARG 65 HN ARG 65 17.718 3.302 -27.662 593 HA ARG 65 HA ARG 65 18.843 3.868 -30.328 594 HB2 ARG 65 HB2 ARG 65 19.015 1.547 -29.306 595 HB3 ARG 65 HB1 ARG 65 17.261 1.432 -29.360 596 HG2 ARG 65 HG2 ARG 65 17.887 0.274 -31.293 597 HG3 ARG 65 HG1 ARG 65 17.523 1.867 -31.930 598 HD2 ARG 65 HD2 ARG 65 19.866 2.419 -32.081 599 HD3 ARG 65 HD1 ARG 65 20.329 0.954 -31.212 600 HE ARG 65 HE ARG 65 19.053 -0.069 -33.348 601 HH11 ARG 65 HH11 ARG 65 21.566 2.387 -33.198 602 HH12 ARG 65 HH12 ARG 65 22.263 1.933 -34.719 603 HH21 ARG 65 HH21 ARG 65 19.992 -0.661 -35.319 604 HH22 ARG 65 HH22 ARG 65 21.370 0.200 -35.922 605 H GLU 66 HN GLU 66 17.575 5.124 -31.620 606 HA GLU 66 HA GLU 66 14.932 5.837 -30.854 607 HB2 GLU 66 HB2 GLU 66 16.775 7.259 -32.044 608 HB3 GLU 66 HB1 GLU 66 16.157 6.558 -33.533 609 HG2 GLU 66 HG2 GLU 66 13.932 7.541 -33.062 610 HG3 GLU 66 HG1 GLU 66 14.540 8.179 -31.545 611 H VAL 67 HN VAL 67 13.253 4.507 -31.108 612 HA VAL 67 HA VAL 67 13.225 2.290 -32.891 613 HB VAL 67 HB VAL 67 10.893 1.854 -32.054 614 HG11 VAL 67 HG11 VAL 67 11.589 1.251 -29.750 615 HG12 VAL 67 HG12 VAL 67 13.058 2.217 -29.958 616 HG13 VAL 67 HG13 VAL 67 12.785 0.797 -30.972 617 HG21 VAL 67 HG21 VAL 67 11.404 4.265 -30.256 618 HG22 VAL 67 HG22 VAL 67 10.042 3.146 -30.128 619 HG23 VAL 67 HG23 VAL 67 10.203 4.177 -31.549 620 H VAL 68 HN VAL 68 12.546 5.453 -33.649 621 HA VAL 68 HA VAL 68 10.374 5.129 -35.465 622 HB VAL 68 HB VAL 68 10.949 7.279 -36.389 623 HG11 VAL 68 HG11 VAL 68 11.097 8.691 -34.370 624 HG12 VAL 68 HG12 VAL 68 11.609 7.293 -33.422 625 HG13 VAL 68 HG13 VAL 68 9.990 7.336 -34.127 626 HG21 VAL 68 HG21 VAL 68 13.684 7.034 -35.063 627 HG22 VAL 68 HG22 VAL 68 13.079 8.477 -35.879 628 HG23 VAL 68 HG23 VAL 68 13.355 6.998 -36.798 629 H HIS 69 HN HIS 69 13.711 4.197 -35.629 630 HA HIS 69 HA HIS 69 13.825 3.998 -38.556 631 HB2 HIS 69 HB2 HIS 69 15.885 3.042 -36.512 632 HB3 HIS 69 HB1 HIS 69 16.152 3.309 -38.235 633 HD1 HIS 69 HD1 HIS 69 15.725 5.985 -38.941 634 HD2 HIS 69 HD2 HIS 69 16.647 5.112 -34.979 635 HE1 HIS 69 HE1 HIS 69 16.489 8.160 -37.939 636 HE2 HIS 69 HE2 HIS 69 16.853 7.649 -35.504 637 H LEU 70 HN LEU 70 12.932 2.078 -35.871 638 HA LEU 70 HA LEU 70 12.696 -0.367 -37.496 639 HB2 LEU 70 HB2 LEU 70 13.296 -1.730 -35.492 640 HB3 LEU 70 HB1 LEU 70 14.632 -0.792 -36.123 641 HG LEU 70 HG LEU 70 13.058 0.319 -33.773 642 HD11 LEU 70 HD11 LEU 70 15.276 -1.727 -33.478 643 HD12 LEU 70 HD12 LEU 70 13.568 -1.991 -33.116 644 HD13 LEU 70 HD13 LEU 70 14.494 -0.826 -32.174 645 HD21 LEU 70 HD21 LEU 70 15.202 1.355 -33.189 646 HD22 LEU 70 HD22 LEU 70 14.761 1.753 -34.847 647 HD23 LEU 70 HD23 LEU 70 15.997 0.530 -34.536 648 H ASP 71 HN ASP 71 11.529 -1.834 -35.234 649 HA ASP 71 HA ASP 71 8.813 -1.115 -35.459 650 HB2 ASP 71 HB2 ASP 71 10.171 -2.892 -33.386 651 HB3 ASP 71 HB1 ASP 71 8.443 -2.864 -33.734 652 H GLY 72 HN GLY 72 8.037 0.763 -34.631 653 HA2 GLY 72 HA2 GLY 72 9.138 2.158 -32.411 654 HA3 GLY 72 HA1 GLY 72 7.655 2.553 -33.245 655 H MET 73 HN MET 73 6.148 0.311 -32.847 656 HA MET 73 HA MET 73 5.136 0.952 -30.217 657 HB2 MET 73 HB2 MET 73 4.059 -1.059 -32.241 658 HB3 MET 73 HB1 MET 73 3.183 -0.358 -30.877 659 HG2 MET 73 HG2 MET 73 4.182 1.140 -33.319 660 HG3 MET 73 HG1 MET 73 2.513 0.674 -32.986 661 HE1 MET 73 HE1 MET 73 1.358 3.121 -30.264 662 HE2 MET 73 HE2 MET 73 1.602 1.374 -30.293 663 HE3 MET 73 HE3 MET 73 0.847 2.186 -31.666 664 H ALA 74 HN ALA 74 6.585 -1.922 -31.760 665 HA ALA 74 HA ALA 74 6.941 -3.154 -29.111 666 HB1 ALA 74 HB1 ALA 74 5.554 -4.615 -31.384 667 HB2 ALA 74 HB2 ALA 74 4.781 -4.026 -29.910 668 HB3 ALA 74 HB3 ALA 74 5.997 -5.303 -29.818 669 H THR 75 HN THR 75 9.078 -2.353 -29.720 670 HA THR 75 HA THR 75 10.631 -3.761 -31.676 671 HB THR 75 HB THR 75 11.388 -1.559 -31.191 672 HG1 THR 75 HG1 THR 75 13.060 -3.126 -31.435 673 HG21 THR 75 HG21 THR 75 11.649 -2.287 -28.248 674 HG22 THR 75 HG22 THR 75 10.414 -1.225 -28.934 675 HG23 THR 75 HG23 THR 75 12.115 -0.752 -28.985 676 H ALA 76 HN ALA 76 10.602 -3.822 -28.090 677 HA ALA 76 HA ALA 76 11.185 -6.466 -27.549 678 HB1 ALA 76 HB1 ALA 76 13.639 -6.451 -27.168 679 HB2 ALA 76 HB2 ALA 76 13.737 -4.845 -27.899 680 HB3 ALA 76 HB3 ALA 76 13.242 -6.229 -28.876 681 H LEU 77 HN LEU 77 9.812 -4.182 -26.424 682 HA LEU 77 HA LEU 77 11.354 -3.113 -24.230 683 HB2 LEU 77 HB2 LEU 77 9.506 -1.797 -25.284 684 HB3 LEU 77 HB1 LEU 77 8.341 -2.958 -24.663 685 HG LEU 77 HG LEU 77 9.119 -2.374 -22.311 686 HD11 LEU 77 HD11 LEU 77 11.328 -1.496 -22.832 687 HD12 LEU 77 HD12 LEU 77 10.373 -0.285 -21.979 688 HD13 LEU 77 HD13 LEU 77 10.606 -0.151 -23.728 689 HD21 LEU 77 HD21 LEU 77 7.923 -0.246 -22.160 690 HD22 LEU 77 HD22 LEU 77 7.068 -1.385 -23.193 691 HD23 LEU 77 HD23 LEU 77 7.994 -0.067 -23.913 692 H ASP 78 HN ASP 78 11.833 -4.280 -22.537 693 HA ASP 78 HA ASP 78 9.930 -6.232 -21.412 694 HB2 ASP 78 HB2 ASP 78 12.983 -6.341 -21.482 695 HB3 ASP 78 HB1 ASP 78 11.975 -7.469 -20.599 696 H ASP 79 HN ASP 79 10.892 -6.697 -18.999 697 HA ASP 79 HA ASP 79 10.264 -4.372 -17.487 698 HB2 ASP 79 HB2 ASP 79 9.715 -6.580 -16.620 699 HB3 ASP 79 HB1 ASP 79 11.393 -7.100 -16.706 700 H GLY 80 HN GLY 80 11.538 -3.041 -16.251 701 HA2 GLY 80 HA2 GLY 80 13.376 -1.987 -15.374 702 HA3 GLY 80 HA1 GLY 80 14.366 -3.359 -15.843 703 H ASP 81 HN ASP 81 12.570 -2.074 -18.430 704 HA ASP 81 HA ASP 81 15.026 -1.005 -19.647 705 HB2 ASP 81 HB2 ASP 81 12.475 -2.204 -20.727 706 HB3 ASP 81 HB1 ASP 81 13.453 -1.201 -21.772 707 H ALA 82 HN ALA 82 15.141 0.990 -20.603 708 HA ALA 82 HA ALA 82 13.254 3.027 -19.684 709 HB1 ALA 82 HB1 ALA 82 14.989 4.639 -20.378 710 HB2 ALA 82 HB2 ALA 82 15.963 3.316 -21.033 711 HB3 ALA 82 HB3 ALA 82 15.648 3.410 -19.298 712 H VAL 83 HN VAL 83 11.980 4.249 -21.025 713 HA VAL 83 HA VAL 83 12.273 4.041 -23.986 714 HB VAL 83 HB VAL 83 9.679 4.660 -22.459 715 HG11 VAL 83 HG11 VAL 83 10.154 4.115 -25.420 716 HG12 VAL 83 HG12 VAL 83 9.757 5.681 -24.702 717 HG13 VAL 83 HG13 VAL 83 8.579 4.369 -24.664 718 HG21 VAL 83 HG21 VAL 83 10.267 2.319 -22.049 719 HG22 VAL 83 HG22 VAL 83 10.488 2.044 -23.780 720 HG23 VAL 83 HG23 VAL 83 8.882 2.411 -23.144 721 H SER 84 HN SER 84 13.337 5.897 -24.502 722 HA SER 84 HA SER 84 12.846 8.463 -23.155 723 HB2 SER 84 HB2 SER 84 14.787 7.670 -25.374 724 HB3 SER 84 HB1 SER 84 14.773 9.219 -24.550 725 HG SER 84 HG SER 84 14.888 7.543 -22.623 726 H VAL 85 HN VAL 85 11.790 10.249 -24.247 727 HA VAL 85 HA VAL 85 10.799 9.793 -26.977 728 HB VAL 85 HB VAL 85 8.499 10.447 -26.464 729 HG11 VAL 85 HG11 VAL 85 7.692 8.448 -25.263 730 HG12 VAL 85 HG12 VAL 85 9.327 8.125 -24.677 731 HG13 VAL 85 HG13 VAL 85 8.976 8.028 -26.404 732 HG21 VAL 85 HG21 VAL 85 9.324 10.538 -23.543 733 HG22 VAL 85 HG22 VAL 85 7.666 10.672 -24.138 734 HG23 VAL 85 HG23 VAL 85 8.853 11.915 -24.546 735 H PHE 86 HN PHE 86 10.536 11.565 -28.148 736 HA PHE 86 HA PHE 86 10.850 14.286 -27.021 737 HB2 PHE 86 HB2 PHE 86 11.993 13.305 -29.708 738 HB3 PHE 86 HB1 PHE 86 12.087 14.943 -29.081 739 HD1 PHE 86 HD2 PHE 86 13.180 11.440 -28.275 740 HD2 PHE 86 HD1 PHE 86 14.066 15.611 -27.954 741 HE1 PHE 86 HE2 PHE 86 15.373 10.918 -27.320 742 HE2 PHE 86 HE1 PHE 86 16.276 15.056 -27.016 743 HZ PHE 86 HZ PHE 86 16.920 12.691 -26.711 744 HA PRO 87 HA PRO 87 6.895 14.672 -29.347 745 HB2 PRO 87 HB2 PRO 87 6.880 17.464 -29.553 746 HB3 PRO 87 HB1 PRO 87 6.355 16.570 -28.120 747 HG2 PRO 87 HG2 PRO 87 9.019 17.835 -28.699 748 HG3 PRO 87 HG1 PRO 87 8.059 17.888 -27.205 749 HD2 PRO 87 HD2 PRO 87 10.146 16.243 -27.407 750 HD3 PRO 87 HD1 PRO 87 8.667 15.711 -26.577 751 HA PRO 88 HA PRO 88 8.190 15.279 -33.625 752 HB2 PRO 88 HB2 PRO 88 5.904 16.147 -34.853 753 HB3 PRO 88 HB1 PRO 88 6.106 14.483 -34.280 754 HG2 PRO 88 HG2 PRO 88 4.648 16.770 -32.971 755 HG3 PRO 88 HG1 PRO 88 4.157 15.071 -33.142 756 HD2 PRO 88 HD2 PRO 88 5.269 16.098 -30.833 757 HD3 PRO 88 HD1 PRO 88 5.435 14.392 -31.321 758 H VAL 89 HN VAL 89 9.365 16.868 -34.534 759 HA VAL 89 HA VAL 89 9.251 19.547 -33.435 760 HB VAL 89 HB VAL 89 11.327 19.997 -34.688 761 HG11 VAL 89 HG11 VAL 89 11.531 18.879 -32.505 762 HG12 VAL 89 HG12 VAL 89 12.797 18.315 -33.597 763 HG13 VAL 89 HG13 VAL 89 11.391 17.295 -33.275 764 HG21 VAL 89 HG21 VAL 89 10.861 18.762 -36.766 765 HG22 VAL 89 HG22 VAL 89 10.982 17.224 -35.908 766 HG23 VAL 89 HG23 VAL 89 12.409 18.248 -36.088 767 H ALA 90 HN ALA 90 8.087 17.972 -36.265 768 HA ALA 90 HA ALA 90 6.588 18.563 -37.823 769 HB1 ALA 90 HB1 ALA 90 5.080 20.451 -37.387 770 HB2 ALA 90 HB2 ALA 90 6.185 21.069 -36.154 771 HB3 ALA 90 HB3 ALA 90 5.367 19.524 -35.911 772 H GLY 91 HN GLY 91 9.390 19.313 -38.237 773 HA2 GLY 91 HA2 GLY 91 9.412 21.795 -39.766 774 HA3 GLY 91 HA1 GLY 91 10.754 20.685 -39.528 775 H GLY 92 HN GLY 92 7.486 20.290 -40.935 776 HA2 GLY 92 HA2 GLY 92 6.801 19.815 -43.086 777 HA3 GLY 92 HA1 GLY 92 8.472 19.843 -43.632 Start of MODEL 4 1 H1 GLY -13 HT1 GLY -13 -4.348 -13.097 -6.864 2 H2 GLY -13 HT2 GLY -13 -4.480 -12.860 -5.197 3 H3 GLY -13 HT3 GLY -13 -3.269 -13.863 -5.813 4 HA2 GLY -13 HA1 GLY -13 -2.216 -11.997 -6.889 5 HA3 GLY -13 HA2 GLY -13 -3.487 -10.946 -6.285 6 H GLY -12 HN GLY -12 -2.388 -9.641 -4.842 7 HA2 GLY -12 HA2 GLY -12 -1.770 -10.623 -2.260 8 HA3 GLY -12 HA1 GLY -12 -0.270 -10.386 -3.153 9 H GLY -11 HN GLY -11 -1.212 -8.111 -4.677 10 HA2 GLY -11 HA2 GLY -11 -2.197 -5.879 -3.883 11 HA3 GLY -11 HA1 GLY -11 -1.017 -6.011 -2.576 12 H ARG -10 HN ARG -10 -1.410 -4.259 -5.180 13 HA ARG -10 HA ARG -10 -0.185 -3.198 -6.761 14 HB2 ARG -10 HB2 ARG -10 2.216 -4.394 -5.317 15 HB3 ARG -10 HB1 ARG -10 2.329 -3.175 -6.585 16 HG2 ARG -10 HG2 ARG -10 1.397 -1.487 -5.227 17 HG3 ARG -10 HG1 ARG -10 0.680 -2.646 -4.105 18 HD2 ARG -10 HD2 ARG -10 3.657 -2.127 -4.413 19 HD3 ARG -10 HD1 ARG -10 2.634 -1.482 -3.122 20 HE ARG -10 HE ARG -10 3.226 -4.362 -3.555 21 HH11 ARG -10 HH11 ARG -10 2.403 -1.754 -1.341 22 HH12 ARG -10 HH12 ARG -10 2.522 -2.762 0.063 23 HH21 ARG -10 HH21 ARG -10 3.373 -5.656 -1.708 24 HH22 ARG -10 HH22 ARG -10 3.081 -4.969 -0.145 25 H ASP -9 HN ASP -9 -1.356 -5.684 -7.231 26 HA ASP -9 HA ASP -9 0.343 -7.224 -9.020 27 HB2 ASP -9 HB2 ASP -9 -2.690 -7.432 -8.841 28 HB3 ASP -9 HB1 ASP -9 -1.545 -8.679 -9.334 29 H TYR -8 HN TYR -8 -1.793 -4.528 -9.157 30 HA TYR -8 HA TYR -8 -2.562 -3.083 -10.709 31 HB2 TYR -8 HB2 TYR -8 -0.414 -4.392 -12.427 32 HB3 TYR -8 HB1 TYR -8 -1.411 -3.071 -13.018 33 HD1 TYR -8 HD2 TYR -8 1.136 -4.000 -10.456 34 HD2 TYR -8 HD1 TYR -8 -0.923 -0.780 -12.369 35 HE1 TYR -8 HE2 TYR -8 2.669 -2.394 -9.403 36 HE2 TYR -8 HE1 TYR -8 0.607 0.823 -11.313 37 HH TYR -8 HH TYR -8 2.062 0.920 -9.290 38 H LYS -7 HN LYS -7 -3.579 -5.952 -10.499 39 HA LYS -7 HA LYS -7 -5.160 -6.213 -12.935 40 HB2 LYS -7 HB2 LYS -7 -2.863 -8.074 -12.199 41 HB3 LYS -7 HB1 LYS -7 -4.193 -8.626 -13.193 42 HG2 LYS -7 HG2 LYS -7 -3.570 -7.335 -15.028 43 HG3 LYS -7 HG1 LYS -7 -2.686 -6.178 -14.040 44 HD2 LYS -7 HD2 LYS -7 -1.150 -7.514 -15.410 45 HD3 LYS -7 HD1 LYS -7 -0.871 -7.801 -13.694 46 HE2 LYS -7 HE2 LYS -7 -2.531 -9.657 -15.422 47 HE3 LYS -7 HE1 LYS -7 -0.795 -9.841 -15.225 48 HZ1 LYS -7 HZ1 LYS -7 -1.853 -11.291 -13.728 49 HZ2 LYS -7 HZ2 LYS -7 -2.876 -10.092 -13.137 50 HZ3 LYS -7 HZ3 LYS -7 -1.221 -10.029 -12.796 51 H ASP -6 HN ASP -6 -6.319 -8.463 -12.805 52 HA ASP -6 HA ASP -6 -7.983 -8.551 -10.527 53 HB2 ASP -6 HB2 ASP -6 -8.800 -9.272 -12.692 54 HB3 ASP -6 HB1 ASP -6 -7.551 -10.500 -12.825 55 H ASP -5 HN ASP -5 -5.118 -10.424 -11.443 56 HA ASP -5 HA ASP -5 -4.795 -11.488 -8.792 57 HB2 ASP -5 HB2 ASP -5 -6.553 -12.968 -10.219 58 HB3 ASP -5 HB1 ASP -5 -5.079 -13.646 -10.905 59 H ASP -4 HN ASP -4 -3.120 -13.762 -9.777 60 HA ASP -4 HA ASP -4 -0.984 -14.261 -10.195 61 HB2 ASP -4 HB2 ASP -4 -0.929 -11.767 -11.954 62 HB3 ASP -4 HB1 ASP -4 0.364 -12.961 -11.882 63 H ASP -3 HN ASP -3 1.350 -13.459 -9.871 64 HA ASP -3 HA ASP -3 1.596 -12.253 -7.306 65 HB2 ASP -3 HB2 ASP -3 3.715 -12.606 -9.477 66 HB3 ASP -3 HB1 ASP -3 4.056 -12.201 -7.798 67 H LYS -2 HN LYS -2 2.287 -11.067 -10.556 68 HA LYS -2 HA LYS -2 0.843 -8.725 -10.296 69 HB2 LYS -2 HB2 LYS -2 2.799 -7.032 -10.629 70 HB3 LYS -2 HB1 LYS -2 2.469 -7.605 -9.002 71 HG2 LYS -2 HG2 LYS -2 4.358 -9.271 -9.299 72 HG3 LYS -2 HG1 LYS -2 4.739 -8.461 -10.822 73 HD2 LYS -2 HD2 LYS -2 6.167 -7.660 -8.962 74 HD3 LYS -2 HD1 LYS -2 5.182 -6.367 -9.644 75 HE2 LYS -2 HE2 LYS -2 5.279 -6.281 -7.154 76 HE3 LYS -2 HE1 LYS -2 3.634 -6.492 -7.751 77 HZ1 LYS -2 HZ1 LYS -2 3.730 -8.813 -7.208 78 HZ2 LYS -2 HZ2 LYS -2 4.172 -7.920 -5.842 79 HZ3 LYS -2 HZ3 LYS -2 5.356 -8.703 -6.761 80 H GLY -1 HN GLY -1 3.728 -10.071 -11.886 81 HA2 GLY -1 HA2 GLY -1 4.319 -10.305 -14.082 82 HA3 GLY -1 HA1 GLY -1 2.599 -10.337 -14.437 83 H THR 0 HN THR 0 4.465 -7.761 -12.978 84 HA THR 0 HA THR 0 3.987 -5.992 -15.298 85 HB THR 0 HB THR 0 3.840 -4.103 -13.630 86 HG1 THR 0 HG1 THR 0 4.863 -5.392 -11.883 87 HG21 THR 0 HG21 THR 0 1.762 -5.064 -14.572 88 HG22 THR 0 HG22 THR 0 1.514 -4.560 -12.896 89 HG23 THR 0 HG23 THR 0 1.724 -6.269 -13.290 90 H MET 1 HN MET 1 5.647 -4.540 -15.775 91 HA MET 1 HA MET 1 8.256 -4.994 -14.455 92 HB2 MET 1 HB2 MET 1 9.338 -4.728 -16.626 93 HB3 MET 1 HB1 MET 1 8.195 -6.054 -16.687 94 HG2 MET 1 HG2 MET 1 6.607 -4.645 -17.910 95 HG3 MET 1 HG1 MET 1 7.741 -3.287 -17.825 96 HE1 MET 1 HE1 MET 1 7.529 -3.084 -20.486 97 HE2 MET 1 HE2 MET 1 6.481 -4.504 -20.579 98 HE3 MET 1 HE3 MET 1 7.916 -4.395 -21.600 99 H GLU 2 HN GLU 2 9.577 -3.209 -14.198 100 HA GLU 2 HA GLU 2 8.223 -0.615 -14.171 101 HB2 GLU 2 HB2 GLU 2 9.472 -1.402 -12.168 102 HB3 GLU 2 HB1 GLU 2 10.963 -1.419 -13.103 103 HG2 GLU 2 HG2 GLU 2 10.693 1.055 -13.460 104 HG3 GLU 2 HG1 GLU 2 9.289 1.015 -12.394 105 H LEU 3 HN LEU 3 8.798 1.090 -15.450 106 HA LEU 3 HA LEU 3 11.027 0.791 -17.377 107 HB2 LEU 3 HB2 LEU 3 8.237 1.771 -18.122 108 HB3 LEU 3 HB1 LEU 3 9.600 1.514 -19.201 109 HG LEU 3 HG LEU 3 8.288 -0.773 -17.700 110 HD11 LEU 3 HD11 LEU 3 7.079 -1.299 -19.792 111 HD12 LEU 3 HD12 LEU 3 7.617 0.238 -20.474 112 HD13 LEU 3 HD13 LEU 3 6.557 0.217 -19.065 113 HD21 LEU 3 HD21 LEU 3 9.372 -2.163 -19.417 114 HD22 LEU 3 HD22 LEU 3 10.545 -1.244 -18.481 115 HD23 LEU 3 HD23 LEU 3 10.122 -0.725 -20.114 116 H GLU 4 HN GLU 4 12.191 2.660 -17.574 117 HA GLU 4 HA GLU 4 11.359 5.053 -16.142 118 HB2 GLU 4 HB2 GLU 4 13.687 4.301 -15.870 119 HB3 GLU 4 HB1 GLU 4 13.951 4.412 -17.601 120 HG2 GLU 4 HG2 GLU 4 13.732 6.815 -17.553 121 HG3 GLU 4 HG1 GLU 4 13.212 6.785 -15.868 122 H LEU 5 HN LEU 5 9.999 6.340 -17.218 123 HA LEU 5 HA LEU 5 10.185 6.587 -20.136 124 HB2 LEU 5 HB2 LEU 5 8.065 7.766 -18.338 125 HB3 LEU 5 HB1 LEU 5 7.997 7.536 -20.080 126 HG LEU 5 HG LEU 5 7.904 5.367 -17.948 127 HD11 LEU 5 HD11 LEU 5 5.837 6.273 -19.956 128 HD12 LEU 5 HD12 LEU 5 5.824 6.598 -18.221 129 HD13 LEU 5 HD13 LEU 5 5.657 4.945 -18.804 130 HD21 LEU 5 HD21 LEU 5 7.926 4.991 -20.969 131 HD22 LEU 5 HD22 LEU 5 7.626 3.729 -19.772 132 HD23 LEU 5 HD23 LEU 5 9.202 4.508 -19.845 133 H ARG 6 HN ARG 6 11.680 7.951 -20.675 134 HA ARG 6 HA ARG 6 12.247 10.400 -19.195 135 HB2 ARG 6 HB2 ARG 6 13.633 9.177 -21.619 136 HB3 ARG 6 HB1 ARG 6 14.213 10.552 -20.682 137 HG2 ARG 6 HG2 ARG 6 14.587 9.132 -18.736 138 HG3 ARG 6 HG1 ARG 6 13.866 7.746 -19.563 139 HD2 ARG 6 HD2 ARG 6 15.668 7.744 -21.203 140 HD3 ARG 6 HD1 ARG 6 16.371 9.196 -20.482 141 HE ARG 6 HE ARG 6 16.121 7.000 -18.638 142 HH11 ARG 6 HH11 ARG 6 18.211 8.402 -21.099 143 HH12 ARG 6 HH12 ARG 6 19.639 7.633 -20.485 144 HH21 ARG 6 HH21 ARG 6 17.988 6.002 -17.854 145 HH22 ARG 6 HH22 ARG 6 19.512 6.269 -18.641 146 H PHE 7 HN PHE 7 11.187 12.193 -19.764 147 HA PHE 7 HA PHE 7 10.064 12.538 -22.488 148 HB2 PHE 7 HB2 PHE 7 9.337 13.955 -19.879 149 HB3 PHE 7 HB1 PHE 7 8.570 14.220 -21.445 150 HD1 PHE 7 HD1 PHE 7 7.039 12.548 -22.402 151 HD2 PHE 7 HD2 PHE 7 8.902 11.915 -18.609 152 HE1 PHE 7 HE1 PHE 7 5.484 10.693 -21.943 153 HE2 PHE 7 HE2 PHE 7 7.352 10.071 -18.174 154 HZ PHE 7 HZ PHE 7 5.649 9.449 -19.826 155 H PHE 8 HN PHE 8 10.654 14.281 -23.703 156 HA PHE 8 HA PHE 8 12.461 16.322 -22.549 157 HB2 PHE 8 HB2 PHE 8 12.954 14.929 -25.227 158 HB3 PHE 8 HB1 PHE 8 13.942 16.207 -24.520 159 HD1 PHE 8 HD1 PHE 8 15.206 15.724 -22.340 160 HD2 PHE 8 HD2 PHE 8 13.314 12.640 -24.612 161 HE1 PHE 8 HE1 PHE 8 16.489 14.020 -21.109 162 HE2 PHE 8 HE2 PHE 8 14.603 10.956 -23.395 163 HZ PHE 8 HZ PHE 8 16.185 11.630 -21.620 164 H ALA 9 HN ALA 9 12.482 18.306 -23.657 165 HA ALA 9 HA ALA 9 11.621 20.124 -24.621 166 HB1 ALA 9 HB1 ALA 9 10.579 18.182 -26.669 167 HB2 ALA 9 HB2 ALA 9 12.149 18.985 -26.690 168 HB3 ALA 9 HB3 ALA 9 10.670 19.931 -26.885 169 H THR 10 HN THR 10 8.782 19.530 -26.195 170 HA THR 10 HA THR 10 7.141 20.809 -24.315 171 HB THR 10 HB THR 10 6.285 19.127 -26.718 172 HG1 THR 10 HG1 THR 10 6.644 20.880 -27.929 173 HG21 THR 10 HG21 THR 10 4.376 19.666 -25.247 174 HG22 THR 10 HG22 THR 10 4.276 20.564 -26.761 175 HG23 THR 10 HG23 THR 10 4.814 21.377 -25.289 176 H PHE 11 HN PHE 11 7.513 17.366 -25.137 177 HA PHE 11 HA PHE 11 5.368 16.340 -23.602 178 HB2 PHE 11 HB2 PHE 11 7.903 15.063 -24.694 179 HB3 PHE 11 HB1 PHE 11 6.742 14.133 -23.759 180 HD1 PHE 11 HD1 PHE 11 4.982 16.546 -25.762 181 HD2 PHE 11 HD2 PHE 11 6.950 12.750 -25.987 182 HE1 PHE 11 HE1 PHE 11 3.715 15.989 -27.797 183 HE2 PHE 11 HE2 PHE 11 5.673 12.217 -28.024 184 HZ PHE 11 HZ PHE 11 4.051 13.826 -28.919 185 H ARG 12 HN ARG 12 8.551 17.421 -22.703 186 HA ARG 12 HA ARG 12 8.843 15.992 -20.251 187 HB2 ARG 12 HB2 ARG 12 10.718 16.922 -21.575 188 HB3 ARG 12 HB1 ARG 12 10.214 18.539 -21.158 189 HG2 ARG 12 HG2 ARG 12 10.866 16.627 -18.932 190 HG3 ARG 12 HG1 ARG 12 12.194 17.276 -19.885 191 HD2 ARG 12 HD2 ARG 12 10.191 18.858 -18.248 192 HD3 ARG 12 HD1 ARG 12 11.904 18.628 -17.906 193 HE ARG 12 HE ARG 12 12.133 19.774 -20.233 194 HH11 ARG 12 HH11 ARG 12 9.921 20.701 -17.676 195 HH12 ARG 12 HH12 ARG 12 9.840 22.352 -18.192 196 HH21 ARG 12 HH21 ARG 12 11.986 21.925 -20.908 197 HH22 ARG 12 HH22 ARG 12 11.014 23.044 -20.015 198 H GLU 13 HN GLU 13 7.967 19.340 -20.997 199 HA GLU 13 HA GLU 13 7.484 20.122 -18.286 200 HB2 GLU 13 HB2 GLU 13 6.557 22.236 -19.386 201 HB3 GLU 13 HB1 GLU 13 8.225 21.830 -19.780 202 HG2 GLU 13 HG2 GLU 13 7.393 20.780 -21.909 203 HG3 GLU 13 HG1 GLU 13 5.786 21.389 -21.524 204 H VAL 14 HN VAL 14 5.459 18.768 -20.790 205 HA VAL 14 HA VAL 14 2.895 19.165 -19.694 206 HB VAL 14 HB VAL 14 4.089 16.934 -21.382 207 HG11 VAL 14 HG11 VAL 14 1.808 16.033 -21.733 208 HG12 VAL 14 HG12 VAL 14 1.193 17.116 -20.483 209 HG13 VAL 14 HG13 VAL 14 2.352 15.848 -20.068 210 HG21 VAL 14 HG21 VAL 14 2.036 19.088 -22.050 211 HG22 VAL 14 HG22 VAL 14 2.675 17.885 -23.174 212 HG23 VAL 14 HG23 VAL 14 3.743 19.115 -22.497 213 H VAL 15 HN VAL 15 5.229 16.563 -19.143 214 HA VAL 15 HA VAL 15 3.689 15.281 -17.055 215 HB VAL 15 HB VAL 15 6.530 14.789 -18.083 216 HG11 VAL 15 HG11 VAL 15 4.849 12.999 -16.283 217 HG12 VAL 15 HG12 VAL 15 6.300 13.877 -15.799 218 HG13 VAL 15 HG13 VAL 15 6.414 12.576 -16.986 219 HG21 VAL 15 HG21 VAL 15 3.919 13.349 -18.716 220 HG22 VAL 15 HG22 VAL 15 5.515 12.895 -19.316 221 HG23 VAL 15 HG23 VAL 15 4.798 14.430 -19.803 222 H GLY 16 HN GLY 16 5.991 17.828 -17.267 223 HA2 GLY 16 HA2 GLY 16 6.985 19.204 -15.727 224 HA3 GLY 16 HA1 GLY 16 6.052 18.409 -14.464 225 H GLN 17 HN GLN 17 7.881 16.330 -16.462 226 HA GLN 17 HA GLN 17 10.172 16.090 -14.632 227 HB2 GLN 17 HB2 GLN 17 8.192 13.847 -15.255 228 HB3 GLN 17 HB1 GLN 17 9.774 13.568 -14.537 229 HG2 GLN 17 HG2 GLN 17 7.602 15.256 -13.262 230 HG3 GLN 17 HG1 GLN 17 7.838 13.540 -12.941 231 HE21 GLN 17 HE21 GLN 17 9.634 12.864 -11.754 232 HE22 GLN 17 HE22 GLN 17 10.604 13.951 -10.825 233 H LYS 18 HN LYS 18 11.993 15.230 -15.666 234 HA LYS 18 HA LYS 18 11.807 14.900 -18.584 235 HB2 LYS 18 HB2 LYS 18 14.213 15.177 -18.655 236 HB3 LYS 18 HB1 LYS 18 13.488 16.482 -17.730 237 HG2 LYS 18 HG2 LYS 18 14.213 15.455 -15.628 238 HG3 LYS 18 HG1 LYS 18 14.869 14.067 -16.506 239 HD2 LYS 18 HD2 LYS 18 15.820 16.950 -16.741 240 HD3 LYS 18 HD1 LYS 18 16.659 15.652 -15.875 241 HE2 LYS 18 HE2 LYS 18 16.909 14.421 -18.041 242 HE3 LYS 18 HE1 LYS 18 16.145 15.773 -18.877 243 HZ1 LYS 18 HZ1 LYS 18 18.475 15.967 -19.097 244 HZ2 LYS 18 HZ2 LYS 18 18.729 15.790 -17.435 245 HZ3 LYS 18 HZ3 LYS 18 17.975 17.183 -18.028 246 H SER 19 HN SER 19 12.229 13.004 -15.732 247 HA SER 19 HA SER 19 12.090 10.565 -17.318 248 HB2 SER 19 HB2 SER 19 14.279 10.758 -15.204 249 HB3 SER 19 HB1 SER 19 14.004 9.454 -16.345 250 HG SER 19 HG SER 19 14.430 11.273 -17.963 251 H ILE 20 HN ILE 20 10.616 9.294 -16.319 252 HA ILE 20 HA ILE 20 10.221 9.413 -13.370 253 HB ILE 20 HB ILE 20 7.827 8.939 -13.681 254 HG12 ILE 20 HG12 ILE 20 8.428 9.021 -16.674 255 HG13 ILE 20 HG11 ILE 20 7.925 7.600 -15.755 256 HG21 ILE 20 HG21 ILE 20 8.485 11.320 -13.653 257 HG22 ILE 20 HG22 ILE 20 7.057 11.068 -14.657 258 HG23 ILE 20 HG23 ILE 20 8.636 11.300 -15.414 259 HD11 ILE 20 HD11 ILE 20 6.250 10.044 -16.332 260 HD12 ILE 20 HD12 ILE 20 5.742 8.689 -15.320 261 HD13 ILE 20 HD13 ILE 20 6.072 8.437 -17.034 262 H TYR 21 HN TYR 21 9.265 7.330 -12.539 263 HA TYR 21 HA TYR 21 9.875 4.981 -14.242 264 HB2 TYR 21 HB2 TYR 21 10.023 5.242 -11.203 265 HB3 TYR 21 HB1 TYR 21 10.048 3.696 -12.044 266 HD1 TYR 21 HD2 TYR 21 11.991 3.104 -13.540 267 HD2 TYR 21 HD1 TYR 21 12.024 6.645 -11.136 268 HE1 TYR 21 HE2 TYR 21 14.418 3.277 -13.821 269 HE2 TYR 21 HE1 TYR 21 14.462 6.817 -11.439 270 HH TYR 21 HH TYR 21 16.353 5.469 -12.009 271 H TRP 22 HN TRP 22 8.074 4.357 -15.088 272 HA TRP 22 HA TRP 22 5.516 4.231 -13.641 273 HB2 TRP 22 HB2 TRP 22 6.360 4.383 -16.484 274 HB3 TRP 22 HB1 TRP 22 5.136 3.155 -16.223 275 HD1 TRP 22 HD1 TRP 22 5.112 6.656 -14.492 276 HE1 TRP 22 HE1 TRP 22 3.043 7.921 -15.363 277 HE3 TRP 22 HE3 TRP 22 3.444 3.230 -17.862 278 HZ2 TRP 22 HZ2 TRP 22 0.964 7.514 -17.286 279 HZ3 TRP 22 HZ3 TRP 22 1.415 3.707 -19.152 280 HH2 TRP 22 HH2 TRP 22 0.199 5.797 -18.857 281 H ARG 23 HN ARG 23 4.286 2.113 -14.335 282 HA ARG 23 HA ARG 23 5.902 -0.270 -14.649 283 HB2 ARG 23 HB2 ARG 23 6.064 0.183 -12.206 284 HB3 ARG 23 HB1 ARG 23 4.312 0.184 -12.084 285 HG2 ARG 23 HG2 ARG 23 4.152 -2.143 -12.387 286 HG3 ARG 23 HG1 ARG 23 5.773 -2.273 -13.077 287 HD2 ARG 23 HD2 ARG 23 5.559 -3.124 -10.701 288 HD3 ARG 23 HD1 ARG 23 6.802 -1.891 -10.929 289 HE ARG 23 HE ARG 23 4.233 -0.866 -10.103 290 HH11 ARG 23 HH11 ARG 23 7.308 -2.057 -8.905 291 HH12 ARG 23 HH12 ARG 23 7.157 -1.233 -7.386 292 HH21 ARG 23 HH21 ARG 23 4.058 0.214 -8.138 293 HH22 ARG 23 HH22 ARG 23 5.313 0.050 -6.949 294 H VAL 24 HN VAL 24 4.825 -1.000 -16.311 295 HA VAL 24 HA VAL 24 1.876 -1.334 -16.224 296 HB VAL 24 HB VAL 24 1.866 -1.339 -18.676 297 HG11 VAL 24 HG11 VAL 24 3.385 1.093 -17.658 298 HG12 VAL 24 HG12 VAL 24 1.635 0.864 -17.616 299 HG13 VAL 24 HG13 VAL 24 2.467 1.009 -19.165 300 HG21 VAL 24 HG21 VAL 24 4.037 -2.375 -19.149 301 HG22 VAL 24 HG22 VAL 24 4.883 -0.936 -18.579 302 HG23 VAL 24 HG23 VAL 24 3.893 -0.856 -20.038 303 H ASP 25 HN ASP 25 1.381 -3.285 -17.873 304 HA ASP 25 HA ASP 25 2.205 -5.671 -16.664 305 HB2 ASP 25 HB2 ASP 25 0.088 -5.394 -17.913 306 HB3 ASP 25 HB1 ASP 25 0.978 -5.229 -19.423 307 H ASP 26 HN ASP 26 3.489 -7.460 -17.510 308 HA ASP 26 HA ASP 26 6.068 -6.514 -18.327 309 HB2 ASP 26 HB2 ASP 26 6.895 -8.688 -17.833 310 HB3 ASP 26 HB1 ASP 26 5.637 -8.380 -16.647 311 H ASP 27 HN ASP 27 3.377 -7.845 -20.015 312 HA ASP 27 HA ASP 27 4.892 -8.515 -22.433 313 HB2 ASP 27 HB2 ASP 27 2.992 -9.962 -21.716 314 HB3 ASP 27 HB1 ASP 27 1.890 -8.599 -21.859 315 H ALA 28 HN ALA 28 3.103 -5.828 -21.084 316 HA ALA 28 HA ALA 28 2.253 -4.570 -23.511 317 HB1 ALA 28 HB1 ALA 28 1.195 -4.052 -21.355 318 HB2 ALA 28 HB2 ALA 28 1.832 -2.585 -22.102 319 HB3 ALA 28 HB3 ALA 28 2.698 -3.343 -20.761 320 H THR 29 HN THR 29 3.343 -3.283 -24.873 321 HA THR 29 HA THR 29 6.217 -2.841 -24.366 322 HB THR 29 HB THR 29 6.295 -2.779 -26.955 323 HG1 THR 29 HG1 THR 29 4.013 -2.652 -27.294 324 HG21 THR 29 HG21 THR 29 6.431 -5.238 -27.120 325 HG22 THR 29 HG22 THR 29 5.586 -5.401 -25.580 326 HG23 THR 29 HG23 THR 29 7.192 -4.669 -25.632 327 H VAL 30 HN VAL 30 6.888 -1.044 -26.304 328 HA VAL 30 HA VAL 30 6.533 1.373 -25.005 329 HB VAL 30 HB VAL 30 7.380 0.841 -27.890 330 HG11 VAL 30 HG11 VAL 30 8.417 3.101 -27.922 331 HG12 VAL 30 HG12 VAL 30 7.666 3.461 -26.363 332 HG13 VAL 30 HG13 VAL 30 6.659 3.183 -27.786 333 HG21 VAL 30 HG21 VAL 30 9.050 1.406 -25.410 334 HG22 VAL 30 HG22 VAL 30 9.679 1.141 -27.042 335 HG23 VAL 30 HG23 VAL 30 8.850 -0.164 -26.193 336 H GLY 31 HN GLY 31 4.710 0.100 -27.740 337 HA2 GLY 31 HA2 GLY 31 3.152 2.364 -28.406 338 HA3 GLY 31 HA1 GLY 31 2.748 0.686 -28.746 339 H ASP 32 HN ASP 32 2.519 -0.353 -26.190 340 HA ASP 32 HA ASP 32 -0.081 0.468 -25.359 341 HB2 ASP 32 HB2 ASP 32 1.906 -1.345 -23.913 342 HB3 ASP 32 HB1 ASP 32 0.183 -1.214 -23.558 343 H VAL 33 HN VAL 33 3.168 1.181 -24.278 344 HA VAL 33 HA VAL 33 2.602 2.433 -21.795 345 HB VAL 33 HB VAL 33 4.956 2.662 -23.719 346 HG11 VAL 33 HG11 VAL 33 6.235 3.824 -21.947 347 HG12 VAL 33 HG12 VAL 33 4.772 3.935 -20.962 348 HG13 VAL 33 HG13 VAL 33 4.870 4.789 -22.503 349 HG21 VAL 33 HG21 VAL 33 4.713 0.494 -22.585 350 HG22 VAL 33 HG22 VAL 33 4.678 1.296 -21.014 351 HG23 VAL 33 HG23 VAL 33 6.147 1.341 -21.994 352 H LEU 34 HN LEU 34 3.341 4.003 -24.985 353 HA LEU 34 HA LEU 34 2.562 6.572 -24.067 354 HB2 LEU 34 HB2 LEU 34 2.529 7.197 -26.577 355 HB3 LEU 34 HB1 LEU 34 4.040 6.743 -25.829 356 HG LEU 34 HG LEU 34 3.587 4.375 -26.860 357 HD11 LEU 34 HD11 LEU 34 1.295 4.738 -27.581 358 HD12 LEU 34 HD12 LEU 34 2.345 4.367 -28.946 359 HD13 LEU 34 HD13 LEU 34 1.825 6.031 -28.664 360 HD21 LEU 34 HD21 LEU 34 4.747 5.022 -28.937 361 HD22 LEU 34 HD22 LEU 34 5.446 5.820 -27.532 362 HD23 LEU 34 HD23 LEU 34 4.384 6.721 -28.617 363 H ARG 35 HN ARG 35 0.711 4.002 -25.593 364 HA ARG 35 HA ARG 35 -1.724 5.267 -26.023 365 HB2 ARG 35 HB2 ARG 35 -1.647 3.036 -26.728 366 HB3 ARG 35 HB1 ARG 35 -0.925 2.463 -25.240 367 HG2 ARG 35 HG2 ARG 35 -3.221 1.606 -25.636 368 HG3 ARG 35 HG1 ARG 35 -3.050 2.467 -24.108 369 HD2 ARG 35 HD2 ARG 35 -4.073 4.468 -25.129 370 HD3 ARG 35 HD1 ARG 35 -4.310 3.571 -26.646 371 HE ARG 35 HE ARG 35 -5.796 2.067 -25.381 372 HH11 ARG 35 HH11 ARG 35 -5.207 5.261 -23.991 373 HH12 ARG 35 HH12 ARG 35 -6.663 5.234 -23.052 374 HH21 ARG 35 HH21 ARG 35 -7.698 2.078 -24.130 375 HH22 ARG 35 HH22 ARG 35 -8.068 3.445 -23.133 376 H SER 36 HN SER 36 -0.439 3.969 -22.972 377 HA SER 36 HA SER 36 -2.724 4.767 -21.423 378 HB2 SER 36 HB2 SER 36 -0.002 3.776 -20.548 379 HB3 SER 36 HB1 SER 36 -1.425 3.947 -19.520 380 HG SER 36 HG SER 36 -0.776 1.960 -21.256 381 H LEU 37 HN LEU 37 0.422 6.233 -22.172 382 HA LEU 37 HA LEU 37 0.506 8.243 -20.214 383 HB2 LEU 37 HB2 LEU 37 1.789 7.898 -22.897 384 HB3 LEU 37 HB1 LEU 37 1.759 9.534 -22.282 385 HG LEU 37 HG LEU 37 3.879 8.529 -21.724 386 HD11 LEU 37 HD11 LEU 37 2.182 8.734 -19.219 387 HD12 LEU 37 HD12 LEU 37 2.952 10.078 -20.067 388 HD13 LEU 37 HD13 LEU 37 3.943 8.841 -19.302 389 HD21 LEU 37 HD21 LEU 37 2.319 6.324 -20.397 390 HD22 LEU 37 HD22 LEU 37 4.055 6.565 -20.247 391 HD23 LEU 37 HD23 LEU 37 3.356 6.208 -21.818 392 H GLU 38 HN GLU 38 -1.271 8.231 -23.306 393 HA GLU 38 HA GLU 38 -2.142 10.979 -22.975 394 HB2 GLU 38 HB2 GLU 38 -3.606 10.561 -24.931 395 HB3 GLU 38 HB1 GLU 38 -1.922 10.189 -25.211 396 HG2 GLU 38 HG2 GLU 38 -2.861 8.399 -26.268 397 HG3 GLU 38 HG1 GLU 38 -2.687 7.711 -24.660 398 H ALA 39 HN ALA 39 -3.285 7.864 -22.035 399 HA ALA 39 HA ALA 39 -5.950 8.572 -21.303 400 HB1 ALA 39 HB1 ALA 39 -5.257 6.243 -21.739 401 HB2 ALA 39 HB2 ALA 39 -5.955 6.403 -20.126 402 HB3 ALA 39 HB3 ALA 39 -4.203 6.286 -20.324 403 H GLU 40 HN GLU 40 -2.879 9.157 -19.845 404 HA GLU 40 HA GLU 40 -4.055 9.928 -17.246 405 HB2 GLU 40 HB2 GLU 40 -1.141 9.992 -18.125 406 HB3 GLU 40 HB1 GLU 40 -1.751 10.217 -16.487 407 HG2 GLU 40 HG2 GLU 40 -1.816 7.672 -18.114 408 HG3 GLU 40 HG1 GLU 40 -0.748 8.064 -16.773 409 H TYR 41 HN TYR 41 -1.903 11.236 -19.747 410 HA TYR 41 HA TYR 41 -2.157 13.926 -18.670 411 HB2 TYR 41 HB2 TYR 41 -0.188 12.723 -20.651 412 HB3 TYR 41 HB1 TYR 41 -0.161 14.411 -20.147 413 HD1 TYR 41 HD1 TYR 41 0.587 15.012 -17.848 414 HD2 TYR 41 HD2 TYR 41 0.580 10.940 -19.150 415 HE1 TYR 41 HE1 TYR 41 2.026 14.403 -15.943 416 HE2 TYR 41 HE2 TYR 41 2.017 10.334 -17.245 417 HH TYR 41 HH TYR 41 3.634 11.430 -15.700 418 H ASP 42 HN ASP 42 -3.652 15.233 -19.615 419 HA ASP 42 HA ASP 42 -4.733 14.951 -22.235 420 HB2 ASP 42 HB2 ASP 42 -4.645 17.368 -20.380 421 HB3 ASP 42 HB1 ASP 42 -5.541 17.331 -21.896 422 H GLY 43 HN GLY 43 -1.927 16.607 -20.944 423 HA2 GLY 43 HA2 GLY 43 -1.320 18.235 -23.215 424 HA3 GLY 43 HA1 GLY 43 -0.230 17.833 -21.895 425 H LEU 44 HN LEU 44 -0.942 14.849 -22.679 426 HA LEU 44 HA LEU 44 0.947 14.625 -24.962 427 HB2 LEU 44 HB2 LEU 44 0.219 12.595 -22.844 428 HB3 LEU 44 HB1 LEU 44 1.271 12.264 -24.194 429 HG LEU 44 HG LEU 44 1.849 14.211 -21.947 430 HD11 LEU 44 HD11 LEU 44 2.010 11.901 -21.192 431 HD12 LEU 44 HD12 LEU 44 3.602 12.648 -21.271 432 HD13 LEU 44 HD13 LEU 44 3.096 11.517 -22.530 433 HD21 LEU 44 HD21 LEU 44 4.098 14.412 -22.939 434 HD22 LEU 44 HD22 LEU 44 2.845 15.015 -24.017 435 HD23 LEU 44 HD23 LEU 44 3.574 13.435 -24.315 436 H ALA 45 HN ALA 45 -2.271 14.703 -24.439 437 HA ALA 45 HA ALA 45 -3.321 12.278 -25.398 438 HB1 ALA 45 HB1 ALA 45 -4.555 15.044 -25.422 439 HB2 ALA 45 HB2 ALA 45 -4.622 13.883 -24.095 440 HB3 ALA 45 HB3 ALA 45 -5.432 13.523 -25.620 441 H GLY 46 HN GLY 46 -3.186 11.427 -27.408 442 HA2 GLY 46 HA2 GLY 46 -3.691 11.199 -29.648 443 HA3 GLY 46 HA1 GLY 46 -4.083 12.903 -29.728 444 H ARG 47 HN ARG 47 -1.229 13.358 -28.597 445 HA ARG 47 HA ARG 47 0.010 13.735 -31.237 446 HB2 ARG 47 HB2 ARG 47 1.580 15.254 -29.896 447 HB3 ARG 47 HB1 ARG 47 -0.113 15.742 -29.944 448 HG2 ARG 47 HG2 ARG 47 -0.427 14.664 -27.700 449 HG3 ARG 47 HG1 ARG 47 1.308 14.361 -27.646 450 HD2 ARG 47 HD2 ARG 47 0.441 16.391 -26.384 451 HD3 ARG 47 HD1 ARG 47 1.793 16.647 -27.455 452 HE ARG 47 HE ARG 47 0.044 17.482 -29.113 453 HH11 ARG 47 HH11 ARG 47 -0.409 17.858 -25.646 454 HH12 ARG 47 HH12 ARG 47 -1.499 19.193 -25.828 455 HH21 ARG 47 HH21 ARG 47 -1.354 19.232 -29.318 456 HH22 ARG 47 HH22 ARG 47 -2.026 19.978 -27.901 457 H LEU 48 HN LEU 48 0.018 11.225 -29.359 458 HA LEU 48 HA LEU 48 2.873 10.548 -29.667 459 HB2 LEU 48 HB2 LEU 48 2.984 9.546 -27.522 460 HB3 LEU 48 HB1 LEU 48 2.286 11.130 -27.280 461 HG LEU 48 HG LEU 48 1.051 8.398 -26.916 462 HD11 LEU 48 HD11 LEU 48 0.361 9.306 -24.737 463 HD12 LEU 48 HD12 LEU 48 1.078 10.860 -25.160 464 HD13 LEU 48 HD13 LEU 48 2.103 9.439 -24.981 465 HD21 LEU 48 HD21 LEU 48 -1.191 9.287 -26.706 466 HD22 LEU 48 HD22 LEU 48 -0.589 9.555 -28.332 467 HD23 LEU 48 HD23 LEU 48 -0.646 10.892 -27.188 468 H ILE 49 HN ILE 49 -0.326 9.796 -30.381 469 HA ILE 49 HA ILE 49 0.461 7.193 -31.541 470 HB ILE 49 HB ILE 49 -2.247 7.821 -30.293 471 HG12 ILE 49 HG12 ILE 49 -0.232 5.629 -29.654 472 HG13 ILE 49 HG11 ILE 49 -0.552 7.046 -28.660 473 HG21 ILE 49 HG21 ILE 49 -3.004 5.582 -31.089 474 HG22 ILE 49 HG22 ILE 49 -1.480 5.376 -31.956 475 HG23 ILE 49 HG23 ILE 49 -2.609 6.643 -32.438 476 HD11 ILE 49 HD11 ILE 49 -2.562 4.881 -29.282 477 HD12 ILE 49 HD12 ILE 49 -2.780 6.245 -28.176 478 HD13 ILE 49 HD13 ILE 49 -1.592 4.991 -27.824 479 H GLU 50 HN GLU 50 0.215 7.256 -33.740 480 HA GLU 50 HA GLU 50 -2.064 8.735 -34.892 481 HB2 GLU 50 HB2 GLU 50 0.058 10.060 -35.244 482 HB3 GLU 50 HB1 GLU 50 0.697 8.717 -36.176 483 HG2 GLU 50 HG2 GLU 50 -0.148 10.404 -37.686 484 HG3 GLU 50 HG1 GLU 50 -1.176 8.975 -37.796 485 H ASP 51 HN ASP 51 -3.276 7.382 -36.049 486 HA ASP 51 HA ASP 51 -4.030 5.706 -37.373 487 HB2 ASP 51 HB2 ASP 51 -2.499 7.077 -38.925 488 HB3 ASP 51 HB1 ASP 51 -1.277 5.833 -38.689 489 H GLY 52 HN GLY 52 -2.771 4.876 -34.894 490 HA2 GLY 52 HA2 GLY 52 -2.660 2.817 -33.848 491 HA3 GLY 52 HA1 GLY 52 -2.538 2.025 -35.414 492 H GLU 53 HN GLU 53 -0.201 4.089 -35.870 493 HA GLU 53 HA GLU 53 1.934 2.583 -34.482 494 HB2 GLU 53 HB2 GLU 53 3.465 3.737 -36.113 495 HB3 GLU 53 HB1 GLU 53 2.268 2.694 -36.874 496 HG2 GLU 53 HG2 GLU 53 0.894 4.658 -37.392 497 HG3 GLU 53 HG1 GLU 53 2.104 5.715 -36.676 498 H VAL 54 HN VAL 54 3.957 4.396 -34.209 499 HA VAL 54 HA VAL 54 3.118 5.698 -31.832 500 HB VAL 54 HB VAL 54 5.457 6.684 -31.760 501 HG11 VAL 54 HG11 VAL 54 5.257 3.686 -32.221 502 HG12 VAL 54 HG12 VAL 54 4.944 4.525 -30.702 503 HG13 VAL 54 HG13 VAL 54 6.575 4.502 -31.378 504 HG21 VAL 54 HG21 VAL 54 7.146 5.873 -33.394 505 HG22 VAL 54 HG22 VAL 54 5.925 6.881 -34.176 506 HG23 VAL 54 HG23 VAL 54 5.863 5.125 -34.346 507 H LYS 55 HN LYS 55 4.281 7.266 -34.926 508 HA LYS 55 HA LYS 55 2.514 9.184 -35.431 509 HB2 LYS 55 HB2 LYS 55 2.472 10.090 -33.191 510 HB3 LYS 55 HB1 LYS 55 4.208 10.256 -33.142 511 HG2 LYS 55 HG2 LYS 55 3.478 12.460 -33.400 512 HG3 LYS 55 HG1 LYS 55 3.858 12.001 -35.058 513 HD2 LYS 55 HD2 LYS 55 1.732 13.235 -34.942 514 HD3 LYS 55 HD1 LYS 55 1.472 11.587 -35.514 515 HE2 LYS 55 HE2 LYS 55 0.727 10.924 -33.243 516 HE3 LYS 55 HE1 LYS 55 0.987 12.575 -32.680 517 HZ1 LYS 55 HZ1 LYS 55 -1.331 12.112 -33.186 518 HZ2 LYS 55 HZ2 LYS 55 -0.935 11.775 -34.791 519 HZ3 LYS 55 HZ3 LYS 55 -0.724 13.332 -34.177 520 HA PRO 56 HA PRO 56 5.936 10.137 -38.329 521 HB2 PRO 56 HB2 PRO 56 4.567 12.179 -39.628 522 HB3 PRO 56 HB1 PRO 56 4.339 10.462 -39.993 523 HG2 PRO 56 HG2 PRO 56 2.717 12.234 -38.148 524 HG3 PRO 56 HG1 PRO 56 2.138 11.128 -39.403 525 HD2 PRO 56 HD2 PRO 56 2.087 10.363 -36.891 526 HD3 PRO 56 HD1 PRO 56 2.632 9.217 -38.137 527 H HIS 57 HN HIS 57 7.606 11.437 -37.932 528 HA HIS 57 HA HIS 57 8.920 13.216 -37.588 529 HB2 HIS 57 HB2 HIS 57 6.382 14.849 -37.219 530 HB3 HIS 57 HB1 HIS 57 8.004 15.534 -37.226 531 HD1 HIS 57 HD1 HIS 57 9.203 15.751 -39.505 532 HD2 HIS 57 HD2 HIS 57 5.439 14.017 -39.767 533 HE1 HIS 57 HE1 HIS 57 8.667 15.673 -41.953 534 HE2 HIS 57 HE2 HIS 57 6.481 14.442 -42.088 535 H VAL 58 HN VAL 58 6.748 12.134 -35.175 536 HA VAL 58 HA VAL 58 7.976 13.413 -32.925 537 HB VAL 58 HB VAL 58 5.686 11.939 -33.133 538 HG11 VAL 58 HG11 VAL 58 5.842 9.760 -32.030 539 HG12 VAL 58 HG12 VAL 58 7.598 9.908 -31.935 540 HG13 VAL 58 HG13 VAL 58 6.808 9.775 -33.509 541 HG21 VAL 58 HG21 VAL 58 5.552 11.853 -30.671 542 HG22 VAL 58 HG22 VAL 58 6.229 13.382 -31.231 543 HG23 VAL 58 HG23 VAL 58 7.293 12.143 -30.567 544 H ASN 59 HN ASN 59 9.680 12.599 -31.608 545 HA ASN 59 HA ASN 59 11.264 10.390 -32.807 546 HB2 ASN 59 HB2 ASN 59 12.258 12.802 -31.226 547 HB3 ASN 59 HB1 ASN 59 13.269 11.487 -31.815 548 HD21 ASN 59 HD21 ASN 59 11.873 11.257 -34.404 549 HD22 ASN 59 HD22 ASN 59 12.342 12.642 -35.317 550 H VAL 60 HN VAL 60 10.747 8.677 -31.700 551 HA VAL 60 HA VAL 60 10.622 8.761 -28.737 552 HB VAL 60 HB VAL 60 9.098 6.629 -29.105 553 HG11 VAL 60 HG11 VAL 60 7.058 8.040 -29.028 554 HG12 VAL 60 HG12 VAL 60 7.989 9.434 -29.587 555 HG13 VAL 60 HG13 VAL 60 8.333 8.718 -28.010 556 HG21 VAL 60 HG21 VAL 60 8.592 8.081 -31.741 557 HG22 VAL 60 HG22 VAL 60 7.654 6.725 -31.109 558 HG23 VAL 60 HG23 VAL 60 9.340 6.490 -31.565 559 H LEU 61 HN LEU 61 11.927 7.429 -27.745 560 HA LEU 61 HA LEU 61 13.655 5.634 -29.308 561 HB2 LEU 61 HB2 LEU 61 14.372 7.456 -27.006 562 HB3 LEU 61 HB1 LEU 61 15.455 6.234 -27.630 563 HG LEU 61 HG LEU 61 15.285 7.496 -29.861 564 HD11 LEU 61 HD11 LEU 61 14.789 9.895 -29.762 565 HD12 LEU 61 HD12 LEU 61 14.110 9.645 -28.148 566 HD13 LEU 61 HD13 LEU 61 13.387 8.858 -29.550 567 HD21 LEU 61 HD21 LEU 61 17.046 9.094 -29.262 568 HD22 LEU 61 HD22 LEU 61 17.311 7.536 -28.484 569 HD23 LEU 61 HD23 LEU 61 16.656 8.885 -27.551 570 H LYS 62 HN LYS 62 14.443 3.853 -28.322 571 HA LYS 62 HA LYS 62 13.198 2.853 -25.841 572 HB2 LYS 62 HB2 LYS 62 12.154 1.633 -27.575 573 HB3 LYS 62 HB1 LYS 62 13.591 1.627 -28.581 574 HG2 LYS 62 HG2 LYS 62 13.166 -0.580 -27.871 575 HG3 LYS 62 HG1 LYS 62 14.619 -0.031 -27.046 576 HD2 LYS 62 HD2 LYS 62 13.254 0.367 -24.999 577 HD3 LYS 62 HD1 LYS 62 11.831 -0.250 -25.859 578 HE2 LYS 62 HE2 LYS 62 12.858 -1.990 -24.441 579 HE3 LYS 62 HE1 LYS 62 12.919 -2.431 -26.147 580 HZ1 LYS 62 HZ1 LYS 62 15.163 -1.255 -24.596 581 HZ2 LYS 62 HZ2 LYS 62 15.221 -1.750 -26.214 582 HZ3 LYS 62 HZ3 LYS 62 14.996 -2.895 -24.990 583 H ASN 63 HN ASN 63 14.820 3.041 -24.444 584 HA ASN 63 HA ASN 63 16.843 3.134 -23.455 585 HB2 ASN 63 HB2 ASN 63 16.257 0.570 -23.880 586 HB3 ASN 63 HB1 ASN 63 17.651 0.620 -24.949 587 HD21 ASN 63 HD21 ASN 63 17.195 -0.833 -22.416 588 HD22 ASN 63 HD22 ASN 63 18.485 -0.377 -21.362 589 H GLY 64 HN GLY 64 16.697 4.738 -25.737 590 HA2 GLY 64 HA2 GLY 64 18.242 6.276 -26.590 591 HA3 GLY 64 HA1 GLY 64 19.533 5.115 -26.353 592 H ARG 65 HN ARG 65 17.282 3.326 -27.934 593 HA ARG 65 HA ARG 65 18.294 4.006 -30.637 594 HB2 ARG 65 HB2 ARG 65 18.668 1.653 -29.862 595 HB3 ARG 65 HB1 ARG 65 16.934 1.445 -29.659 596 HG2 ARG 65 HG2 ARG 65 17.565 0.403 -31.741 597 HG3 ARG 65 HG1 ARG 65 16.646 1.852 -32.127 598 HD2 ARG 65 HD2 ARG 65 18.776 3.063 -32.547 599 HD3 ARG 65 HD1 ARG 65 19.670 1.575 -32.209 600 HE ARG 65 HE ARG 65 17.820 0.987 -34.216 601 HH11 ARG 65 HH11 ARG 65 20.658 3.051 -33.871 602 HH12 ARG 65 HH12 ARG 65 21.074 2.941 -35.550 603 HH21 ARG 65 HH21 ARG 65 18.382 0.891 -36.414 604 HH22 ARG 65 HH22 ARG 65 19.786 1.737 -36.986 605 H GLU 66 HN GLU 66 16.936 5.305 -31.750 606 HA GLU 66 HA GLU 66 14.292 5.874 -30.926 607 HB2 GLU 66 HB2 GLU 66 16.047 7.367 -32.199 608 HB3 GLU 66 HB1 GLU 66 15.336 6.683 -33.653 609 HG2 GLU 66 HG2 GLU 66 13.129 7.605 -33.006 610 HG3 GLU 66 HG1 GLU 66 13.815 8.210 -31.518 611 H VAL 67 HN VAL 67 12.585 4.637 -31.226 612 HA VAL 67 HA VAL 67 12.524 2.354 -32.901 613 HB VAL 67 HB VAL 67 10.212 1.986 -32.092 614 HG11 VAL 67 HG11 VAL 67 12.096 1.105 -30.837 615 HG12 VAL 67 HG12 VAL 67 10.808 1.599 -29.738 616 HG13 VAL 67 HG13 VAL 67 12.240 2.615 -29.934 617 HG21 VAL 67 HG21 VAL 67 10.590 4.580 -30.541 618 HG22 VAL 67 HG22 VAL 67 9.237 3.458 -30.371 619 HG23 VAL 67 HG23 VAL 67 9.470 4.335 -31.883 620 H VAL 68 HN VAL 68 11.949 5.481 -33.896 621 HA VAL 68 HA VAL 68 9.920 4.969 -35.838 622 HB VAL 68 HB VAL 68 10.515 7.053 -36.879 623 HG11 VAL 68 HG11 VAL 68 10.920 7.349 -33.874 624 HG12 VAL 68 HG12 VAL 68 9.367 7.259 -34.704 625 HG13 VAL 68 HG13 VAL 68 10.432 8.636 -34.982 626 HG21 VAL 68 HG21 VAL 68 12.959 6.779 -37.058 627 HG22 VAL 68 HG22 VAL 68 13.136 7.015 -35.318 628 HG23 VAL 68 HG23 VAL 68 12.572 8.341 -36.337 629 H HIS 69 HN HIS 69 13.217 4.039 -35.586 630 HA HIS 69 HA HIS 69 13.628 3.506 -38.446 631 HB2 HIS 69 HB2 HIS 69 15.499 2.974 -36.091 632 HB3 HIS 69 HB1 HIS 69 15.928 2.894 -37.798 633 HD1 HIS 69 HD1 HIS 69 15.720 5.309 -39.091 634 HD2 HIS 69 HD2 HIS 69 15.948 5.380 -34.944 635 HE1 HIS 69 HE1 HIS 69 16.339 7.670 -38.494 636 HE2 HIS 69 HE2 HIS 69 16.477 7.693 -35.978 637 H LEU 70 HN LEU 70 12.296 1.930 -35.790 638 HA LEU 70 HA LEU 70 12.320 -0.676 -37.113 639 HB2 LEU 70 HB2 LEU 70 12.872 -1.870 -34.990 640 HB3 LEU 70 HB1 LEU 70 14.219 -0.958 -35.636 641 HG LEU 70 HG LEU 70 12.532 0.254 -33.413 642 HD11 LEU 70 HD11 LEU 70 14.835 -1.671 -32.957 643 HD12 LEU 70 HD12 LEU 70 13.136 -1.981 -32.593 644 HD13 LEU 70 HD13 LEU 70 14.004 -0.725 -31.715 645 HD21 LEU 70 HD21 LEU 70 14.627 1.395 -32.830 646 HD22 LEU 70 HD22 LEU 70 14.183 1.708 -34.505 647 HD23 LEU 70 HD23 LEU 70 15.468 0.553 -34.136 648 H ASP 71 HN ASP 71 11.049 -2.000 -34.846 649 HA ASP 71 HA ASP 71 8.348 -1.236 -35.174 650 HB2 ASP 71 HB2 ASP 71 9.677 -3.011 -33.096 651 HB3 ASP 71 HB1 ASP 71 7.930 -2.872 -33.306 652 H GLY 72 HN GLY 72 7.587 0.681 -34.441 653 HA2 GLY 72 HA2 GLY 72 8.430 2.010 -32.059 654 HA3 GLY 72 HA1 GLY 72 7.035 2.414 -33.025 655 H MET 73 HN MET 73 5.510 0.191 -32.883 656 HA MET 73 HA MET 73 4.230 0.612 -30.369 657 HB2 MET 73 HB2 MET 73 3.583 -1.007 -32.840 658 HB3 MET 73 HB1 MET 73 2.636 -1.254 -31.374 659 HG2 MET 73 HG2 MET 73 3.018 1.487 -32.618 660 HG3 MET 73 HG1 MET 73 1.673 0.415 -33.026 661 HE1 MET 73 HE1 MET 73 2.134 3.479 -31.260 662 HE2 MET 73 HE2 MET 73 0.660 3.422 -30.291 663 HE3 MET 73 HE3 MET 73 0.593 3.079 -32.020 664 H ALA 74 HN ALA 74 6.149 -2.085 -31.658 665 HA ALA 74 HA ALA 74 6.404 -3.203 -28.963 666 HB1 ALA 74 HB1 ALA 74 4.390 -4.345 -29.815 667 HB2 ALA 74 HB2 ALA 74 5.721 -5.474 -29.572 668 HB3 ALA 74 HB3 ALA 74 5.305 -4.942 -31.204 669 H THR 75 HN THR 75 8.496 -2.414 -29.270 670 HA THR 75 HA THR 75 10.280 -3.539 -31.238 671 HB THR 75 HB THR 75 10.907 -1.356 -30.778 672 HG1 THR 75 HG1 THR 75 12.762 -2.635 -30.587 673 HG21 THR 75 HG21 THR 75 11.095 -0.300 -28.576 674 HG22 THR 75 HG22 THR 75 10.629 -1.808 -27.792 675 HG23 THR 75 HG23 THR 75 9.477 -0.950 -28.818 676 H ALA 76 HN ALA 76 10.758 -3.555 -27.646 677 HA ALA 76 HA ALA 76 11.387 -6.318 -27.432 678 HB1 ALA 76 HB1 ALA 76 13.857 -6.156 -27.274 679 HB2 ALA 76 HB2 ALA 76 13.783 -4.439 -27.683 680 HB3 ALA 76 HB3 ALA 76 13.305 -5.651 -28.871 681 H LEU 77 HN LEU 77 9.866 -4.469 -25.944 682 HA LEU 77 HA LEU 77 11.469 -3.082 -24.010 683 HB2 LEU 77 HB2 LEU 77 9.328 -2.207 -25.039 684 HB3 LEU 77 HB1 LEU 77 8.454 -3.355 -24.040 685 HG LEU 77 HG LEU 77 9.232 -2.247 -21.996 686 HD11 LEU 77 HD11 LEU 77 11.446 -1.520 -22.709 687 HD12 LEU 77 HD12 LEU 77 10.529 -0.155 -22.084 688 HD13 LEU 77 HD13 LEU 77 10.735 -0.350 -23.826 689 HD21 LEU 77 HD21 LEU 77 8.085 -0.057 -22.274 690 HD22 LEU 77 HD22 LEU 77 7.167 -1.400 -22.946 691 HD23 LEU 77 HD23 LEU 77 8.054 -0.315 -24.019 692 H ASP 78 HN ASP 78 12.036 -3.697 -22.069 693 HA ASP 78 HA ASP 78 11.000 -6.209 -20.889 694 HB2 ASP 78 HB2 ASP 78 13.141 -6.508 -22.268 695 HB3 ASP 78 HB1 ASP 78 13.948 -5.412 -21.160 696 H ASP 79 HN ASP 79 11.829 -6.406 -18.583 697 HA ASP 79 HA ASP 79 11.121 -4.124 -17.060 698 HB2 ASP 79 HB2 ASP 79 10.725 -6.340 -16.144 699 HB3 ASP 79 HB1 ASP 79 12.422 -6.778 -16.298 700 H GLY 80 HN GLY 80 12.302 -2.606 -16.089 701 HA2 GLY 80 HA2 GLY 80 14.077 -1.371 -15.311 702 HA3 GLY 80 HA1 GLY 80 15.152 -2.710 -15.670 703 H ASP 81 HN ASP 81 13.115 -1.589 -18.244 704 HA ASP 81 HA ASP 81 15.433 -0.602 -19.727 705 HB2 ASP 81 HB2 ASP 81 13.462 -2.123 -20.661 706 HB3 ASP 81 HB1 ASP 81 12.593 -0.611 -20.811 707 H ALA 82 HN ALA 82 15.023 1.477 -21.117 708 HA ALA 82 HA ALA 82 13.630 3.574 -19.548 709 HB1 ALA 82 HB1 ALA 82 15.540 5.098 -19.879 710 HB2 ALA 82 HB2 ALA 82 16.445 3.817 -20.692 711 HB3 ALA 82 HB3 ALA 82 16.028 3.656 -18.986 712 H VAL 83 HN VAL 83 11.956 3.886 -20.989 713 HA VAL 83 HA VAL 83 12.396 4.151 -23.876 714 HB VAL 83 HB VAL 83 9.822 4.568 -22.269 715 HG11 VAL 83 HG11 VAL 83 9.723 5.623 -24.486 716 HG12 VAL 83 HG12 VAL 83 8.649 4.226 -24.420 717 HG13 VAL 83 HG13 VAL 83 10.202 4.104 -25.251 718 HG21 VAL 83 HG21 VAL 83 9.181 2.280 -22.933 719 HG22 VAL 83 HG22 VAL 83 10.631 2.281 -21.929 720 HG23 VAL 83 HG23 VAL 83 10.767 2.046 -23.674 721 H SER 84 HN SER 84 13.312 6.078 -24.436 722 HA SER 84 HA SER 84 12.651 8.604 -23.106 723 HB2 SER 84 HB2 SER 84 14.504 7.970 -25.433 724 HB3 SER 84 HB1 SER 84 14.361 9.541 -24.666 725 HG SER 84 HG SER 84 14.867 7.381 -22.994 726 H VAL 85 HN VAL 85 11.669 10.424 -24.275 727 HA VAL 85 HA VAL 85 10.523 9.935 -26.924 728 HB VAL 85 HB VAL 85 8.256 10.601 -26.416 729 HG11 VAL 85 HG11 VAL 85 7.391 8.776 -25.005 730 HG12 VAL 85 HG12 VAL 85 9.014 8.470 -24.385 731 HG13 VAL 85 HG13 VAL 85 8.656 8.193 -26.090 732 HG21 VAL 85 HG21 VAL 85 8.636 12.268 -24.680 733 HG22 VAL 85 HG22 VAL 85 9.094 11.007 -23.528 734 HG23 VAL 85 HG23 VAL 85 7.436 11.096 -24.126 735 H PHE 86 HN PHE 86 10.120 11.765 -28.072 736 HA PHE 86 HA PHE 86 10.644 14.455 -26.958 737 HB2 PHE 86 HB2 PHE 86 11.780 13.423 -29.630 738 HB3 PHE 86 HB1 PHE 86 11.924 15.062 -29.016 739 HD1 PHE 86 HD2 PHE 86 12.846 11.528 -28.083 740 HD2 PHE 86 HD1 PHE 86 13.972 15.658 -27.976 741 HE1 PHE 86 HE2 PHE 86 15.014 10.928 -27.108 742 HE2 PHE 86 HE1 PHE 86 16.158 15.026 -27.020 743 HZ PHE 86 HZ PHE 86 16.671 12.640 -26.601 744 HA PRO 87 HA PRO 87 6.756 15.075 -29.358 745 HB2 PRO 87 HB2 PRO 87 6.904 17.834 -29.662 746 HB3 PRO 87 HB1 PRO 87 6.377 17.041 -28.173 747 HG2 PRO 87 HG2 PRO 87 9.101 18.102 -28.889 748 HG3 PRO 87 HG1 PRO 87 8.173 18.304 -27.387 749 HD2 PRO 87 HD2 PRO 87 10.143 16.505 -27.522 750 HD3 PRO 87 HD1 PRO 87 8.642 16.139 -26.639 751 HA PRO 88 HA PRO 88 7.886 15.299 -33.682 752 HB2 PRO 88 HB2 PRO 88 5.956 16.888 -34.861 753 HB3 PRO 88 HB1 PRO 88 5.671 15.214 -34.355 754 HG2 PRO 88 HG2 PRO 88 5.010 17.768 -32.892 755 HG3 PRO 88 HG1 PRO 88 3.993 16.332 -33.148 756 HD2 PRO 88 HD2 PRO 88 5.295 16.728 -30.814 757 HD3 PRO 88 HD1 PRO 88 5.116 15.092 -31.495 758 H VAL 89 HN VAL 89 9.454 16.408 -34.708 759 HA VAL 89 HA VAL 89 10.144 19.096 -33.682 760 HB VAL 89 HB VAL 89 12.487 18.572 -34.349 761 HG11 VAL 89 HG11 VAL 89 11.227 16.445 -32.567 762 HG12 VAL 89 HG12 VAL 89 11.780 18.042 -32.058 763 HG13 VAL 89 HG13 VAL 89 12.947 16.847 -32.625 764 HG21 VAL 89 HG21 VAL 89 12.060 17.045 -36.241 765 HG22 VAL 89 HG22 VAL 89 11.420 15.825 -35.138 766 HG23 VAL 89 HG23 VAL 89 13.126 16.278 -35.060 767 H ALA 90 HN ALA 90 8.797 17.705 -36.372 768 HA ALA 90 HA ALA 90 9.125 20.160 -37.914 769 HB1 ALA 90 HB1 ALA 90 10.931 18.705 -38.778 770 HB2 ALA 90 HB2 ALA 90 9.689 18.966 -40.001 771 HB3 ALA 90 HB3 ALA 90 9.756 17.434 -39.124 772 H GLY 91 HN GLY 91 7.480 20.393 -39.563 773 HA2 GLY 91 HA2 GLY 91 4.939 19.088 -38.955 774 HA3 GLY 91 HA1 GLY 91 5.217 20.381 -40.118 775 H GLY 92 HN GLY 92 3.625 18.037 -40.631 776 HA2 GLY 92 HA2 GLY 92 5.137 16.165 -42.246 777 HA3 GLY 92 HA1 GLY 92 3.390 16.242 -42.065 Start of MODEL 5 1 H1 GLY -13 HT1 GLY -13 -12.615 -15.783 -13.977 2 H2 GLY -13 HT2 GLY -13 -12.309 -14.214 -14.518 3 H3 GLY -13 HT3 GLY -13 -13.288 -14.460 -13.166 4 HA2 GLY -13 HA1 GLY -13 -11.414 -15.364 -11.935 5 HA3 GLY -13 HA2 GLY -13 -10.398 -15.111 -13.349 6 H GLY -12 HN GLY -12 -9.060 -13.839 -11.890 7 HA2 GLY -12 HA2 GLY -12 -9.616 -11.021 -11.994 8 HA3 GLY -12 HA1 GLY -12 -9.737 -11.664 -10.362 9 H GLY -11 HN GLY -11 -7.596 -11.231 -13.123 10 HA2 GLY -11 HA2 GLY -11 -5.186 -11.652 -11.444 11 HA3 GLY -11 HA1 GLY -11 -5.239 -11.638 -13.204 12 H ARG -10 HN ARG -10 -3.652 -10.079 -13.425 13 HA ARG -10 HA ARG -10 -2.693 -8.076 -13.669 14 HB2 ARG -10 HB2 ARG -10 -5.594 -7.235 -13.629 15 HB3 ARG -10 HB1 ARG -10 -4.329 -6.009 -13.703 16 HG2 ARG -10 HG2 ARG -10 -3.433 -7.119 -15.755 17 HG3 ARG -10 HG1 ARG -10 -4.792 -8.243 -15.706 18 HD2 ARG -10 HD2 ARG -10 -6.361 -6.548 -16.226 19 HD3 ARG -10 HD1 ARG -10 -5.240 -5.250 -15.805 20 HE ARG -10 HE ARG -10 -3.914 -5.938 -17.793 21 HH11 ARG -10 HH11 ARG -10 -7.356 -6.667 -17.754 22 HH12 ARG -10 HH12 ARG -10 -7.487 -6.667 -19.480 23 HH21 ARG -10 HH21 ARG -10 -4.116 -5.926 -20.032 24 HH22 ARG -10 HH22 ARG -10 -5.649 -6.252 -20.768 25 H ASP -9 HN ASP -9 -1.604 -8.506 -11.692 26 HA ASP -9 HA ASP -9 -2.369 -6.954 -9.327 27 HB2 ASP -9 HB2 ASP -9 0.075 -8.719 -9.813 28 HB3 ASP -9 HB1 ASP -9 -0.389 -8.009 -8.273 29 H TYR -8 HN TYR -8 -2.227 -4.900 -10.532 30 HA TYR -8 HA TYR -8 0.416 -3.969 -11.408 31 HB2 TYR -8 HB2 TYR -8 -2.340 -2.692 -11.454 32 HB3 TYR -8 HB1 TYR -8 -0.895 -1.835 -11.961 33 HD1 TYR -8 HD2 TYR -8 -0.979 -5.382 -12.880 34 HD2 TYR -8 HD1 TYR -8 -2.202 -1.452 -14.075 35 HE1 TYR -8 HE2 TYR -8 -1.364 -6.178 -15.178 36 HE2 TYR -8 HE1 TYR -8 -2.587 -2.259 -16.362 37 HH TYR -8 HH TYR -8 -1.865 -4.091 -17.827 38 H LYS -7 HN LYS -7 0.455 -4.608 -8.740 39 HA LYS -7 HA LYS -7 1.003 -2.126 -7.359 40 HB2 LYS -7 HB2 LYS -7 -0.409 -3.025 -5.315 41 HB3 LYS -7 HB1 LYS -7 -1.202 -2.129 -6.593 42 HG2 LYS -7 HG2 LYS -7 -2.573 -4.020 -5.886 43 HG3 LYS -7 HG1 LYS -7 -2.068 -4.215 -7.565 44 HD2 LYS -7 HD2 LYS -7 -0.424 -5.888 -6.949 45 HD3 LYS -7 HD1 LYS -7 -0.683 -5.580 -5.227 46 HE2 LYS -7 HE2 LYS -7 -2.794 -6.697 -7.107 47 HE3 LYS -7 HE1 LYS -7 -1.765 -7.675 -6.062 48 HZ1 LYS -7 HZ1 LYS -7 -3.740 -5.651 -5.168 49 HZ2 LYS -7 HZ2 LYS -7 -2.715 -6.520 -4.148 50 HZ3 LYS -7 HZ3 LYS -7 -3.890 -7.329 -5.047 51 H ASP -6 HN ASP -6 1.424 -3.077 -4.800 52 HA ASP -6 HA ASP -6 3.977 -4.417 -5.172 53 HB2 ASP -6 HB2 ASP -6 3.956 -2.435 -3.780 54 HB3 ASP -6 HB1 ASP -6 2.667 -3.078 -2.772 55 H ASP -5 HN ASP -5 4.436 -6.435 -4.707 56 HA ASP -5 HA ASP -5 3.082 -8.127 -2.792 57 HB2 ASP -5 HB2 ASP -5 3.191 -9.230 -5.638 58 HB3 ASP -5 HB1 ASP -5 2.376 -9.908 -4.243 59 H ASP -4 HN ASP -4 4.195 -10.531 -3.244 60 HA ASP -4 HA ASP -4 7.050 -10.316 -3.527 61 HB2 ASP -4 HB2 ASP -4 5.181 -12.734 -3.561 62 HB3 ASP -4 HB1 ASP -4 6.930 -12.877 -3.704 63 H ASP -3 HN ASP -3 4.380 -11.333 -5.620 64 HA ASP -3 HA ASP -3 6.007 -10.927 -8.036 65 HB2 ASP -3 HB2 ASP -3 6.006 -13.405 -7.351 66 HB3 ASP -3 HB1 ASP -3 4.278 -13.415 -7.665 67 H LYS -2 HN LYS -2 4.671 -10.637 -9.961 68 HA LYS -2 HA LYS -2 1.855 -9.917 -9.667 69 HB2 LYS -2 HB2 LYS -2 2.207 -7.545 -10.356 70 HB3 LYS -2 HB1 LYS -2 2.757 -7.907 -8.737 71 HG2 LYS -2 HG2 LYS -2 4.708 -7.836 -11.047 72 HG3 LYS -2 HG1 LYS -2 4.183 -6.350 -10.269 73 HD2 LYS -2 HD2 LYS -2 5.464 -8.647 -8.750 74 HD3 LYS -2 HD1 LYS -2 6.391 -7.330 -9.466 75 HE2 LYS -2 HE2 LYS -2 6.029 -6.900 -7.097 76 HE3 LYS -2 HE1 LYS -2 5.146 -5.708 -8.050 77 HZ1 LYS -2 HZ1 LYS -2 3.872 -6.571 -6.179 78 HZ2 LYS -2 HZ2 LYS -2 3.956 -8.127 -6.821 79 HZ3 LYS -2 HZ3 LYS -2 3.117 -6.916 -7.643 80 H GLY -1 HN GLY -1 4.801 -9.804 -11.657 81 HA2 GLY -1 HA2 GLY -1 5.054 -10.568 -13.854 82 HA3 GLY -1 HA1 GLY -1 3.311 -10.576 -14.070 83 H THR 0 HN THR 0 4.116 -7.642 -12.672 84 HA THR 0 HA THR 0 3.881 -6.220 -15.211 85 HB THR 0 HB THR 0 3.530 -4.197 -13.856 86 HG1 THR 0 HG1 THR 0 4.950 -5.325 -12.057 87 HG21 THR 0 HG21 THR 0 1.939 -6.544 -12.763 88 HG22 THR 0 HG22 THR 0 1.570 -5.651 -14.242 89 HG23 THR 0 HG23 THR 0 1.470 -4.846 -12.676 90 H MET 1 HN MET 1 5.387 -4.899 -16.080 91 HA MET 1 HA MET 1 8.110 -4.927 -14.969 92 HB2 MET 1 HB2 MET 1 8.850 -4.348 -17.249 93 HB3 MET 1 HB1 MET 1 7.914 -5.828 -17.228 94 HG2 MET 1 HG2 MET 1 5.979 -4.623 -18.126 95 HG3 MET 1 HG1 MET 1 6.924 -3.127 -18.150 96 HE1 MET 1 HE1 MET 1 6.436 -2.775 -20.714 97 HE2 MET 1 HE2 MET 1 5.472 -4.254 -20.781 98 HE3 MET 1 HE3 MET 1 6.757 -3.982 -21.959 99 H GLU 2 HN GLU 2 8.980 -3.132 -14.159 100 HA GLU 2 HA GLU 2 7.608 -0.564 -14.251 101 HB2 GLU 2 HB2 GLU 2 8.628 -1.320 -12.124 102 HB3 GLU 2 HB1 GLU 2 10.214 -1.372 -12.884 103 HG2 GLU 2 HG2 GLU 2 10.142 1.063 -13.233 104 HG3 GLU 2 HG1 GLU 2 8.527 1.130 -12.531 105 H LEU 3 HN LEU 3 8.369 1.233 -15.397 106 HA LEU 3 HA LEU 3 10.686 0.861 -17.211 107 HB2 LEU 3 HB2 LEU 3 7.977 1.993 -18.012 108 HB3 LEU 3 HB1 LEU 3 9.370 1.739 -19.062 109 HG LEU 3 HG LEU 3 7.943 -0.562 -17.679 110 HD11 LEU 3 HD11 LEU 3 6.290 0.549 -19.043 111 HD12 LEU 3 HD12 LEU 3 6.763 -0.969 -19.801 112 HD13 LEU 3 HD13 LEU 3 7.381 0.563 -20.432 113 HD21 LEU 3 HD21 LEU 3 10.210 -1.062 -18.445 114 HD22 LEU 3 HD22 LEU 3 9.812 -0.498 -20.070 115 HD23 LEU 3 HD23 LEU 3 9.019 -1.932 -19.412 116 H GLU 4 HN GLU 4 11.977 2.632 -17.315 117 HA GLU 4 HA GLU 4 11.251 5.113 -15.964 118 HB2 GLU 4 HB2 GLU 4 13.520 4.127 -15.637 119 HB3 GLU 4 HB1 GLU 4 13.838 4.300 -17.359 120 HG2 GLU 4 HG2 GLU 4 13.584 6.777 -17.105 121 HG3 GLU 4 HG1 GLU 4 13.393 6.547 -15.368 122 H LEU 5 HN LEU 5 9.855 6.275 -17.222 123 HA LEU 5 HA LEU 5 10.232 6.423 -20.131 124 HB2 LEU 5 HB2 LEU 5 7.985 7.589 -18.462 125 HB3 LEU 5 HB1 LEU 5 8.015 7.384 -20.211 126 HG LEU 5 HG LEU 5 7.898 5.168 -18.130 127 HD11 LEU 5 HD11 LEU 5 5.655 4.762 -19.010 128 HD12 LEU 5 HD12 LEU 5 5.821 6.140 -20.103 129 HD13 LEU 5 HD13 LEU 5 5.815 6.390 -18.355 130 HD21 LEU 5 HD21 LEU 5 7.649 3.600 -20.021 131 HD22 LEU 5 HD22 LEU 5 9.218 4.399 -20.040 132 HD23 LEU 5 HD23 LEU 5 7.955 4.913 -21.162 133 H ARG 6 HN ARG 6 11.707 7.842 -20.641 134 HA ARG 6 HA ARG 6 12.158 10.291 -19.129 135 HB2 ARG 6 HB2 ARG 6 13.684 9.176 -21.525 136 HB3 ARG 6 HB1 ARG 6 14.228 10.442 -20.425 137 HG2 ARG 6 HG2 ARG 6 14.365 8.801 -18.592 138 HG3 ARG 6 HG1 ARG 6 13.757 7.535 -19.662 139 HD2 ARG 6 HD2 ARG 6 16.178 7.355 -19.415 140 HD3 ARG 6 HD1 ARG 6 15.772 7.783 -21.081 141 HE ARG 6 HE ARG 6 16.229 10.189 -19.833 142 HH11 ARG 6 HH11 ARG 6 18.137 7.273 -20.246 143 HH12 ARG 6 HH12 ARG 6 19.644 8.118 -20.252 144 HH21 ARG 6 HH21 ARG 6 18.227 11.284 -19.855 145 HH22 ARG 6 HH22 ARG 6 19.697 10.384 -20.041 146 H PHE 7 HN PHE 7 11.064 12.041 -19.721 147 HA PHE 7 HA PHE 7 10.071 12.400 -22.485 148 HB2 PHE 7 HB2 PHE 7 9.204 13.707 -19.858 149 HB3 PHE 7 HB1 PHE 7 8.551 14.125 -21.441 150 HD1 PHE 7 HD2 PHE 7 8.664 11.525 -18.820 151 HD2 PHE 7 HD1 PHE 7 7.008 12.643 -22.592 152 HE1 PHE 7 HE2 PHE 7 7.022 9.712 -18.656 153 HE2 PHE 7 HE1 PHE 7 5.350 10.843 -22.399 154 HZ PHE 7 HZ PHE 7 5.369 9.365 -20.435 155 H PHE 8 HN PHE 8 10.702 14.125 -23.674 156 HA PHE 8 HA PHE 8 12.437 16.197 -22.475 157 HB2 PHE 8 HB2 PHE 8 12.954 14.818 -25.157 158 HB3 PHE 8 HB1 PHE 8 13.925 16.111 -24.453 159 HD1 PHE 8 HD1 PHE 8 15.225 15.660 -22.314 160 HD2 PHE 8 HD2 PHE 8 13.319 12.524 -24.505 161 HE1 PHE 8 HE1 PHE 8 16.539 13.984 -21.076 162 HE2 PHE 8 HE2 PHE 8 14.639 10.864 -23.273 163 HZ PHE 8 HZ PHE 8 16.237 11.581 -21.538 164 H ALA 9 HN ALA 9 12.448 18.202 -23.654 165 HA ALA 9 HA ALA 9 11.545 19.982 -24.673 166 HB1 ALA 9 HB1 ALA 9 12.101 18.754 -26.680 167 HB2 ALA 9 HB2 ALA 9 10.608 19.662 -26.930 168 HB3 ALA 9 HB3 ALA 9 10.544 17.925 -26.632 169 H THR 10 HN THR 10 8.758 19.443 -26.261 170 HA THR 10 HA THR 10 7.023 20.676 -24.462 171 HB THR 10 HB THR 10 6.218 18.872 -26.796 172 HG1 THR 10 HG1 THR 10 6.526 21.679 -26.953 173 HG21 THR 10 HG21 THR 10 4.215 20.320 -26.943 174 HG22 THR 10 HG22 THR 10 4.743 21.212 -25.518 175 HG23 THR 10 HG23 THR 10 4.292 19.512 -25.371 176 H PHE 11 HN PHE 11 7.440 17.189 -25.169 177 HA PHE 11 HA PHE 11 5.281 16.203 -23.608 178 HB2 PHE 11 HB2 PHE 11 7.862 14.907 -24.541 179 HB3 PHE 11 HB1 PHE 11 6.695 14.024 -23.584 180 HD1 PHE 11 HD1 PHE 11 4.864 16.193 -25.728 181 HD2 PHE 11 HD2 PHE 11 7.105 12.546 -25.744 182 HE1 PHE 11 HE1 PHE 11 3.685 15.455 -27.758 183 HE2 PHE 11 HE2 PHE 11 5.916 11.831 -27.774 184 HZ PHE 11 HZ PHE 11 4.202 13.276 -28.776 185 H ARG 12 HN ARG 12 8.624 17.027 -22.773 186 HA ARG 12 HA ARG 12 8.677 15.988 -20.133 187 HB2 ARG 12 HB2 ARG 12 10.675 16.755 -21.507 188 HB3 ARG 12 HB1 ARG 12 10.244 18.394 -21.115 189 HG2 ARG 12 HG2 ARG 12 10.547 16.651 -18.740 190 HG3 ARG 12 HG1 ARG 12 12.008 16.775 -19.702 191 HD2 ARG 12 HD2 ARG 12 12.122 18.419 -17.969 192 HD3 ARG 12 HD1 ARG 12 11.860 19.274 -19.489 193 HE ARG 12 HE ARG 12 9.529 18.662 -17.819 194 HH11 ARG 12 HH11 ARG 12 11.744 21.113 -19.022 195 HH12 ARG 12 HH12 ARG 12 10.783 22.429 -18.431 196 HH21 ARG 12 HH21 ARG 12 8.270 20.398 -17.092 197 HH22 ARG 12 HH22 ARG 12 8.810 22.023 -17.353 198 H GLU 13 HN GLU 13 7.690 19.045 -21.524 199 HA GLU 13 HA GLU 13 7.258 20.512 -19.144 200 HB2 GLU 13 HB2 GLU 13 7.530 21.474 -21.457 201 HB3 GLU 13 HB1 GLU 13 5.932 20.870 -21.864 202 HG2 GLU 13 HG2 GLU 13 5.821 23.236 -21.394 203 HG3 GLU 13 HG1 GLU 13 4.942 22.346 -20.152 204 H VAL 14 HN VAL 14 5.125 18.615 -21.206 205 HA VAL 14 HA VAL 14 2.643 18.987 -19.980 206 HB VAL 14 HB VAL 14 3.764 16.571 -21.453 207 HG11 VAL 14 HG11 VAL 14 1.898 15.817 -20.090 208 HG12 VAL 14 HG12 VAL 14 1.420 15.848 -21.786 209 HG13 VAL 14 HG13 VAL 14 0.878 17.127 -20.694 210 HG21 VAL 14 HG21 VAL 14 2.511 17.436 -23.396 211 HG22 VAL 14 HG22 VAL 14 3.679 18.624 -22.813 212 HG23 VAL 14 HG23 VAL 14 1.966 18.819 -22.440 213 H VAL 15 HN VAL 15 5.026 16.421 -19.427 214 HA VAL 15 HA VAL 15 3.598 15.209 -17.241 215 HB VAL 15 HB VAL 15 6.448 14.747 -18.251 216 HG11 VAL 15 HG11 VAL 15 6.331 12.564 -17.088 217 HG12 VAL 15 HG12 VAL 15 4.753 12.998 -16.426 218 HG13 VAL 15 HG13 VAL 15 6.189 13.909 -15.951 219 HG21 VAL 15 HG21 VAL 15 5.483 12.801 -19.458 220 HG22 VAL 15 HG22 VAL 15 4.760 14.317 -19.997 221 HG23 VAL 15 HG23 VAL 15 3.868 13.256 -18.902 222 H GLY 16 HN GLY 16 5.938 17.717 -17.607 223 HA2 GLY 16 HA2 GLY 16 6.951 19.166 -16.157 224 HA3 GLY 16 HA1 GLY 16 5.940 18.524 -14.871 225 H GLN 17 HN GLN 17 7.755 16.158 -16.533 226 HA GLN 17 HA GLN 17 9.968 16.136 -14.589 227 HB2 GLN 17 HB2 GLN 17 8.544 13.522 -15.191 228 HB3 GLN 17 HB1 GLN 17 9.591 13.935 -13.837 229 HG2 GLN 17 HG2 GLN 17 7.693 15.411 -12.981 230 HG3 GLN 17 HG1 GLN 17 6.689 14.714 -14.250 231 HE21 GLN 17 HE21 GLN 17 5.257 13.725 -12.859 232 HE22 GLN 17 HE22 GLN 17 5.674 12.384 -11.862 233 H LYS 18 HN LYS 18 11.839 15.106 -15.413 234 HA LYS 18 HA LYS 18 11.972 14.967 -18.324 235 HB2 LYS 18 HB2 LYS 18 14.399 14.954 -18.036 236 HB3 LYS 18 HB1 LYS 18 13.662 16.267 -17.124 237 HG2 LYS 18 HG2 LYS 18 13.858 14.846 -15.050 238 HG3 LYS 18 HG1 LYS 18 14.756 13.659 -16.004 239 HD2 LYS 18 HD2 LYS 18 15.560 16.555 -15.495 240 HD3 LYS 18 HD1 LYS 18 16.292 15.123 -14.754 241 HE2 LYS 18 HE2 LYS 18 17.002 14.376 -17.042 242 HE3 LYS 18 HE1 LYS 18 16.366 15.885 -17.697 243 HZ1 LYS 18 HZ1 LYS 18 18.584 15.587 -15.759 244 HZ2 LYS 18 HZ2 LYS 18 17.930 17.070 -16.244 245 HZ3 LYS 18 HZ3 LYS 18 18.701 16.074 -17.375 246 H SER 19 HN SER 19 12.045 12.769 -15.623 247 HA SER 19 HA SER 19 11.677 10.497 -17.386 248 HB2 SER 19 HB2 SER 19 13.856 10.210 -15.275 249 HB3 SER 19 HB1 SER 19 13.482 9.125 -16.609 250 HG SER 19 HG SER 19 14.127 11.106 -17.927 251 H ILE 20 HN ILE 20 10.003 9.448 -16.476 252 HA ILE 20 HA ILE 20 9.559 9.499 -13.546 253 HB ILE 20 HB ILE 20 7.215 9.007 -13.992 254 HG12 ILE 20 HG12 ILE 20 8.011 8.821 -16.936 255 HG13 ILE 20 HG11 ILE 20 7.415 7.500 -15.927 256 HG21 ILE 20 HG21 ILE 20 8.137 11.189 -15.891 257 HG22 ILE 20 HG22 ILE 20 7.901 11.376 -14.153 258 HG23 ILE 20 HG23 ILE 20 6.520 11.034 -15.193 259 HD11 ILE 20 HD11 ILE 20 5.831 9.925 -16.800 260 HD12 ILE 20 HD12 ILE 20 5.231 8.637 -15.750 261 HD13 ILE 20 HD13 ILE 20 5.675 8.279 -17.418 262 H TYR 21 HN TYR 21 8.531 7.402 -12.732 263 HA TYR 21 HA TYR 21 9.342 5.007 -14.284 264 HB2 TYR 21 HB2 TYR 21 9.143 5.335 -11.252 265 HB3 TYR 21 HB1 TYR 21 9.337 3.785 -12.064 266 HD1 TYR 21 HD2 TYR 21 11.430 3.459 -13.566 267 HD2 TYR 21 HD1 TYR 21 11.090 6.620 -10.698 268 HE1 TYR 21 HE2 TYR 21 13.869 3.690 -13.524 269 HE2 TYR 21 HE1 TYR 21 13.540 6.848 -10.668 270 HH TYR 21 HH TYR 21 15.544 5.457 -12.990 271 H TRP 22 HN TRP 22 7.594 4.361 -15.274 272 HA TRP 22 HA TRP 22 4.954 4.237 -13.995 273 HB2 TRP 22 HB2 TRP 22 5.968 4.322 -16.778 274 HB3 TRP 22 HB1 TRP 22 4.792 3.039 -16.561 275 HD1 TRP 22 HD1 TRP 22 4.626 6.640 -15.064 276 HE1 TRP 22 HE1 TRP 22 2.462 7.731 -15.930 277 HE3 TRP 22 HE3 TRP 22 2.997 2.884 -18.096 278 HZ2 TRP 22 HZ2 TRP 22 0.357 7.082 -17.679 279 HZ3 TRP 22 HZ3 TRP 22 0.880 3.190 -19.315 280 HH2 TRP 22 HH2 TRP 22 -0.403 5.246 -19.094 281 H ARG 23 HN ARG 23 3.798 2.082 -14.560 282 HA ARG 23 HA ARG 23 5.442 -0.293 -14.773 283 HB2 ARG 23 HB2 ARG 23 5.538 0.268 -12.330 284 HB3 ARG 23 HB1 ARG 23 3.779 0.164 -12.260 285 HG2 ARG 23 HG2 ARG 23 3.838 -2.204 -12.787 286 HG3 ARG 23 HG1 ARG 23 5.575 -2.134 -13.091 287 HD2 ARG 23 HD2 ARG 23 4.307 -1.546 -10.406 288 HD3 ARG 23 HD1 ARG 23 4.940 -3.128 -10.870 289 HE ARG 23 HE ARG 23 6.666 -0.722 -10.873 290 HH11 ARG 23 HH11 ARG 23 6.014 -3.956 -9.667 291 HH12 ARG 23 HH12 ARG 23 7.561 -4.120 -8.911 292 HH21 ARG 23 HH21 ARG 23 8.676 -0.940 -9.853 293 HH22 ARG 23 HH22 ARG 23 9.073 -2.395 -9.008 294 H VAL 24 HN VAL 24 4.418 -1.059 -16.411 295 HA VAL 24 HA VAL 24 1.499 -1.578 -16.354 296 HB VAL 24 HB VAL 24 1.655 -1.839 -18.834 297 HG11 VAL 24 HG11 VAL 24 2.721 0.852 -17.899 298 HG12 VAL 24 HG12 VAL 24 1.026 0.369 -17.959 299 HG13 VAL 24 HG13 VAL 24 1.944 0.538 -19.456 300 HG21 VAL 24 HG21 VAL 24 3.710 -1.165 -20.075 301 HG22 VAL 24 HG22 VAL 24 3.994 -2.566 -19.041 302 HG23 VAL 24 HG23 VAL 24 4.562 -0.974 -18.537 303 H ASP 25 HN ASP 25 1.025 -3.747 -17.503 304 HA ASP 25 HA ASP 25 2.576 -5.805 -16.256 305 HB2 ASP 25 HB2 ASP 25 0.130 -5.993 -16.526 306 HB3 ASP 25 HB1 ASP 25 0.319 -6.049 -18.271 307 H ASP 26 HN ASP 26 3.613 -7.618 -17.395 308 HA ASP 26 HA ASP 26 5.620 -6.663 -19.161 309 HB2 ASP 26 HB2 ASP 26 5.976 -8.462 -17.466 310 HB3 ASP 26 HB1 ASP 26 4.959 -9.541 -18.413 311 H ASP 27 HN ASP 27 2.499 -7.866 -19.849 312 HA ASP 27 HA ASP 27 3.052 -9.042 -22.446 313 HB2 ASP 27 HB2 ASP 27 1.141 -9.806 -20.975 314 HB3 ASP 27 HB1 ASP 27 0.365 -8.243 -21.206 315 H ALA 28 HN ALA 28 2.514 -5.895 -21.179 316 HA ALA 28 HA ALA 28 1.606 -4.564 -23.555 317 HB1 ALA 28 HB1 ALA 28 2.962 -3.443 -21.069 318 HB2 ALA 28 HB2 ALA 28 1.224 -3.627 -21.305 319 HB3 ALA 28 HB3 ALA 28 2.131 -2.495 -22.308 320 H THR 29 HN THR 29 2.919 -2.907 -24.653 321 HA THR 29 HA THR 29 5.841 -3.354 -24.781 322 HB THR 29 HB THR 29 5.741 -3.064 -27.294 323 HG1 THR 29 HG1 THR 29 2.941 -3.408 -26.867 324 HG21 THR 29 HG21 THR 29 4.909 -5.321 -27.855 325 HG22 THR 29 HG22 THR 29 4.146 -5.434 -26.270 326 HG23 THR 29 HG23 THR 29 5.903 -5.352 -26.397 327 H VAL 30 HN VAL 30 6.600 -1.436 -26.497 328 HA VAL 30 HA VAL 30 6.579 0.958 -25.078 329 HB VAL 30 HB VAL 30 7.150 0.576 -28.057 330 HG11 VAL 30 HG11 VAL 30 7.957 2.914 -26.267 331 HG12 VAL 30 HG12 VAL 30 6.785 2.968 -27.585 332 HG13 VAL 30 HG13 VAL 30 8.486 2.668 -27.935 333 HG21 VAL 30 HG21 VAL 30 8.583 -0.844 -26.643 334 HG22 VAL 30 HG22 VAL 30 9.066 0.557 -25.682 335 HG23 VAL 30 HG23 VAL 30 9.535 0.446 -27.381 336 H GLY 31 HN GLY 31 4.505 -0.107 -27.675 337 HA2 GLY 31 HA2 GLY 31 3.194 2.329 -28.257 338 HA3 GLY 31 HA1 GLY 31 2.670 0.717 -28.719 339 H ASP 32 HN ASP 32 2.250 -0.493 -26.264 340 HA ASP 32 HA ASP 32 -0.263 0.403 -25.387 341 HB2 ASP 32 HB2 ASP 32 1.739 -1.371 -23.918 342 HB3 ASP 32 HB1 ASP 32 0.069 -1.127 -23.407 343 H VAL 33 HN VAL 33 2.974 1.059 -24.193 344 HA VAL 33 HA VAL 33 2.347 2.365 -21.763 345 HB VAL 33 HB VAL 33 4.766 2.610 -23.604 346 HG11 VAL 33 HG11 VAL 33 4.656 4.629 -22.223 347 HG12 VAL 33 HG12 VAL 33 5.982 3.598 -21.687 348 HG13 VAL 33 HG13 VAL 33 4.479 3.653 -20.763 349 HG21 VAL 33 HG21 VAL 33 4.427 0.361 -22.672 350 HG22 VAL 33 HG22 VAL 33 4.356 1.026 -21.039 351 HG23 VAL 33 HG23 VAL 33 5.860 1.111 -21.964 352 H LEU 34 HN LEU 34 3.279 3.847 -24.920 353 HA LEU 34 HA LEU 34 2.595 6.467 -24.066 354 HB2 LEU 34 HB2 LEU 34 2.843 7.077 -26.549 355 HB3 LEU 34 HB1 LEU 34 4.234 6.455 -25.701 356 HG LEU 34 HG LEU 34 3.586 4.162 -26.801 357 HD11 LEU 34 HD11 LEU 34 2.198 6.028 -28.724 358 HD12 LEU 34 HD12 LEU 34 1.426 4.807 -27.705 359 HD13 LEU 34 HD13 LEU 34 2.535 4.313 -28.982 360 HD21 LEU 34 HD21 LEU 34 5.657 5.384 -27.282 361 HD22 LEU 34 HD22 LEU 34 4.811 6.395 -28.456 362 HD23 LEU 34 HD23 LEU 34 5.000 4.663 -28.751 363 H ARG 35 HN ARG 35 0.722 3.976 -25.679 364 HA ARG 35 HA ARG 35 -1.606 5.349 -26.331 365 HB2 ARG 35 HB2 ARG 35 -1.442 3.063 -26.981 366 HB3 ARG 35 HB1 ARG 35 -1.120 2.520 -25.345 367 HG2 ARG 35 HG2 ARG 35 -3.381 1.885 -26.282 368 HG3 ARG 35 HG1 ARG 35 -3.420 2.697 -24.714 369 HD2 ARG 35 HD2 ARG 35 -3.974 4.812 -25.798 370 HD3 ARG 35 HD1 ARG 35 -3.949 4.031 -27.396 371 HE ARG 35 HE ARG 35 -5.808 2.574 -26.217 372 HH11 ARG 35 HH11 ARG 35 -5.395 6.064 -25.994 373 HH12 ARG 35 HH12 ARG 35 -7.089 6.369 -25.787 374 HH21 ARG 35 HH21 ARG 35 -8.016 2.997 -25.952 375 HH22 ARG 35 HH22 ARG 35 -8.578 4.625 -25.769 376 H SER 36 HN SER 36 -0.700 3.959 -23.206 377 HA SER 36 HA SER 36 -3.088 4.834 -21.885 378 HB2 SER 36 HB2 SER 36 -0.530 3.681 -20.766 379 HB3 SER 36 HB1 SER 36 -2.055 3.862 -19.904 380 HG SER 36 HG SER 36 -1.304 1.996 -21.781 381 H LEU 37 HN LEU 37 0.181 6.134 -22.258 382 HA LEU 37 HA LEU 37 0.277 8.052 -20.231 383 HB2 LEU 37 HB2 LEU 37 1.693 7.694 -22.820 384 HB3 LEU 37 HB1 LEU 37 1.634 9.353 -22.286 385 HG LEU 37 HG LEU 37 3.713 8.402 -21.567 386 HD11 LEU 37 HD11 LEU 37 1.901 8.663 -19.149 387 HD12 LEU 37 HD12 LEU 37 2.692 9.989 -20.008 388 HD13 LEU 37 HD13 LEU 37 3.665 8.792 -19.160 389 HD21 LEU 37 HD21 LEU 37 3.871 6.481 -20.055 390 HD22 LEU 37 HD22 LEU 37 3.197 6.065 -21.622 391 HD23 LEU 37 HD23 LEU 37 2.137 6.214 -20.223 392 H GLU 38 HN GLU 38 -1.058 8.478 -23.557 393 HA GLU 38 HA GLU 38 -1.897 11.174 -23.182 394 HB2 GLU 38 HB2 GLU 38 -3.455 10.745 -25.142 395 HB3 GLU 38 HB1 GLU 38 -1.755 10.428 -25.434 396 HG2 GLU 38 HG2 GLU 38 -2.063 8.076 -25.390 397 HG3 GLU 38 HG1 GLU 38 -3.678 8.217 -24.696 398 H ALA 39 HN ALA 39 -3.311 8.174 -22.186 399 HA ALA 39 HA ALA 39 -6.018 9.047 -21.893 400 HB1 ALA 39 HB1 ALA 39 -5.417 6.670 -22.183 401 HB2 ALA 39 HB2 ALA 39 -6.343 6.911 -20.701 402 HB3 ALA 39 HB3 ALA 39 -4.593 6.678 -20.624 403 H GLU 40 HN GLU 40 -3.129 9.345 -19.922 404 HA GLU 40 HA GLU 40 -4.673 10.310 -17.586 405 HB2 GLU 40 HB2 GLU 40 -1.639 10.102 -17.693 406 HB3 GLU 40 HB1 GLU 40 -2.692 10.149 -16.278 407 HG2 GLU 40 HG2 GLU 40 -3.567 7.868 -17.143 408 HG3 GLU 40 HG1 GLU 40 -2.138 7.884 -18.173 409 H TYR 41 HN TYR 41 -1.826 11.253 -19.484 410 HA TYR 41 HA TYR 41 -2.085 14.055 -18.822 411 HB2 TYR 41 HB2 TYR 41 -0.044 12.620 -20.571 412 HB3 TYR 41 HB1 TYR 41 0.046 14.307 -20.081 413 HD1 TYR 41 HD2 TYR 41 0.176 10.802 -18.777 414 HD2 TYR 41 HD1 TYR 41 1.033 14.912 -17.969 415 HE1 TYR 41 HE2 TYR 41 1.486 10.140 -16.800 416 HE2 TYR 41 HE1 TYR 41 2.349 14.254 -15.998 417 HH TYR 41 HH TYR 41 2.596 12.422 -14.466 418 H ASP 42 HN ASP 42 -3.715 15.011 -19.902 419 HA ASP 42 HA ASP 42 -4.546 14.400 -22.567 420 HB2 ASP 42 HB2 ASP 42 -5.164 16.881 -20.911 421 HB3 ASP 42 HB1 ASP 42 -6.041 16.348 -22.344 422 H GLY 43 HN GLY 43 -2.068 16.419 -21.279 423 HA2 GLY 43 HA2 GLY 43 -1.639 18.110 -23.553 424 HA3 GLY 43 HA1 GLY 43 -0.507 17.801 -22.242 425 H LEU 44 HN LEU 44 -0.990 14.779 -22.976 426 HA LEU 44 HA LEU 44 1.017 14.633 -25.140 427 HB2 LEU 44 HB2 LEU 44 0.060 12.531 -23.181 428 HB3 LEU 44 HB1 LEU 44 1.226 12.232 -24.444 429 HG LEU 44 HG LEU 44 1.620 14.051 -22.055 430 HD11 LEU 44 HD11 LEU 44 3.297 12.426 -21.303 431 HD12 LEU 44 HD12 LEU 44 2.899 11.370 -22.664 432 HD13 LEU 44 HD13 LEU 44 1.694 11.700 -21.415 433 HD21 LEU 44 HD21 LEU 44 3.569 13.386 -24.274 434 HD22 LEU 44 HD22 LEU 44 3.945 14.296 -22.806 435 HD23 LEU 44 HD23 LEU 44 2.804 14.949 -23.975 436 H ALA 45 HN ALA 45 -2.246 14.747 -24.991 437 HA ALA 45 HA ALA 45 -3.129 12.295 -26.113 438 HB1 ALA 45 HB1 ALA 45 -5.277 13.433 -26.428 439 HB2 ALA 45 HB2 ALA 45 -4.510 15.000 -26.149 440 HB3 ALA 45 HB3 ALA 45 -4.595 13.814 -24.842 441 H GLY 46 HN GLY 46 -2.801 11.532 -28.076 442 HA2 GLY 46 HA2 GLY 46 -3.017 11.279 -30.336 443 HA3 GLY 46 HA1 GLY 46 -3.713 12.885 -30.414 444 H ARG 47 HN ARG 47 -0.626 12.844 -28.985 445 HA ARG 47 HA ARG 47 0.698 13.666 -31.523 446 HB2 ARG 47 HB2 ARG 47 2.152 15.135 -29.940 447 HB3 ARG 47 HB1 ARG 47 0.506 15.666 -30.279 448 HG2 ARG 47 HG2 ARG 47 -0.217 14.601 -28.130 449 HG3 ARG 47 HG1 ARG 47 1.476 14.264 -27.776 450 HD2 ARG 47 HD2 ARG 47 0.518 16.288 -26.644 451 HD3 ARG 47 HD1 ARG 47 1.969 16.591 -27.572 452 HE ARG 47 HE ARG 47 0.005 17.186 -29.340 453 HH11 ARG 47 HH11 ARG 47 0.561 18.312 -26.052 454 HH12 ARG 47 HH12 ARG 47 -0.269 19.808 -26.314 455 HH21 ARG 47 HH21 ARG 47 -1.073 19.160 -29.650 456 HH22 ARG 47 HH22 ARG 47 -1.192 20.285 -28.340 457 H LEU 48 HN LEU 48 0.727 11.507 -28.917 458 HA LEU 48 HA LEU 48 3.426 10.502 -29.568 459 HB2 LEU 48 HB2 LEU 48 3.509 9.446 -27.464 460 HB3 LEU 48 HB1 LEU 48 2.872 11.043 -27.154 461 HG LEU 48 HG LEU 48 1.549 8.346 -26.871 462 HD11 LEU 48 HD11 LEU 48 2.648 9.213 -24.937 463 HD12 LEU 48 HD12 LEU 48 0.909 9.243 -24.663 464 HD13 LEU 48 HD13 LEU 48 1.771 10.734 -25.052 465 HD21 LEU 48 HD21 LEU 48 -0.105 9.494 -28.183 466 HD22 LEU 48 HD22 LEU 48 -0.043 10.894 -27.124 467 HD23 LEU 48 HD23 LEU 48 -0.644 9.355 -26.517 468 H ILE 49 HN ILE 49 0.225 10.057 -30.327 469 HA ILE 49 HA ILE 49 0.800 7.461 -31.609 470 HB ILE 49 HB ILE 49 -1.820 8.175 -30.234 471 HG12 ILE 49 HG12 ILE 49 0.176 5.926 -29.851 472 HG13 ILE 49 HG11 ILE 49 -0.257 7.187 -28.697 473 HG21 ILE 49 HG21 ILE 49 -1.319 5.814 -32.117 474 HG22 ILE 49 HG22 ILE 49 -2.359 7.197 -32.461 475 HG23 ILE 49 HG23 ILE 49 -2.791 6.075 -31.174 476 HD11 ILE 49 HD11 ILE 49 -1.185 5.022 -28.125 477 HD12 ILE 49 HD12 ILE 49 -2.070 4.973 -29.643 478 HD13 ILE 49 HD13 ILE 49 -2.456 6.201 -28.430 479 H GLU 50 HN GLU 50 0.400 7.508 -33.765 480 HA GLU 50 HA GLU 50 -1.687 9.324 -34.843 481 HB2 GLU 50 HB2 GLU 50 0.861 9.924 -35.346 482 HB3 GLU 50 HB1 GLU 50 0.772 8.591 -36.480 483 HG2 GLU 50 HG2 GLU 50 -0.879 11.141 -36.529 484 HG3 GLU 50 HG1 GLU 50 0.452 10.734 -37.604 485 H ASP 51 HN ASP 51 -3.281 7.841 -35.251 486 HA ASP 51 HA ASP 51 -4.456 6.133 -36.182 487 HB2 ASP 51 HB2 ASP 51 -3.678 7.429 -38.179 488 HB3 ASP 51 HB1 ASP 51 -2.315 6.329 -38.334 489 H GLY 52 HN GLY 52 -2.397 5.301 -34.265 490 HA2 GLY 52 HA2 GLY 52 -2.221 3.171 -33.284 491 HA3 GLY 52 HA1 GLY 52 -2.494 2.434 -34.839 492 H GLU 53 HN GLU 53 -0.142 4.655 -35.462 493 HA GLU 53 HA GLU 53 2.118 2.989 -34.461 494 HB2 GLU 53 HB2 GLU 53 3.512 4.231 -36.163 495 HB3 GLU 53 HB1 GLU 53 2.247 3.228 -36.872 496 HG2 GLU 53 HG2 GLU 53 0.841 5.190 -37.183 497 HG3 GLU 53 HG1 GLU 53 2.069 6.219 -36.453 498 H VAL 54 HN VAL 54 4.171 4.737 -34.214 499 HA VAL 54 HA VAL 54 3.445 6.054 -31.798 500 HB VAL 54 HB VAL 54 5.804 6.925 -31.745 501 HG11 VAL 54 HG11 VAL 54 6.850 4.704 -31.409 502 HG12 VAL 54 HG12 VAL 54 5.504 3.946 -32.265 503 HG13 VAL 54 HG13 VAL 54 5.220 4.767 -30.729 504 HG21 VAL 54 HG21 VAL 54 7.455 6.086 -33.404 505 HG22 VAL 54 HG22 VAL 54 6.276 7.172 -34.148 506 HG23 VAL 54 HG23 VAL 54 6.133 5.425 -34.373 507 H LYS 55 HN LYS 55 4.580 7.554 -34.930 508 HA LYS 55 HA LYS 55 2.872 9.461 -35.526 509 HB2 LYS 55 HB2 LYS 55 2.654 10.464 -33.368 510 HB3 LYS 55 HB1 LYS 55 4.378 10.576 -33.128 511 HG2 LYS 55 HG2 LYS 55 3.712 12.797 -33.495 512 HG3 LYS 55 HG1 LYS 55 4.310 12.306 -35.078 513 HD2 LYS 55 HD2 LYS 55 2.218 13.550 -35.319 514 HD3 LYS 55 HD1 LYS 55 1.986 11.876 -35.823 515 HE2 LYS 55 HE2 LYS 55 0.880 11.356 -33.707 516 HE3 LYS 55 HE1 LYS 55 1.199 12.982 -33.105 517 HZ1 LYS 55 HZ1 LYS 55 -1.066 12.741 -33.882 518 HZ2 LYS 55 HZ2 LYS 55 -0.530 12.320 -35.427 519 HZ3 LYS 55 HZ3 LYS 55 -0.233 13.869 -34.822 520 HA PRO 56 HA PRO 56 6.421 10.393 -38.311 521 HB2 PRO 56 HB2 PRO 56 5.116 12.565 -39.523 522 HB3 PRO 56 HB1 PRO 56 4.977 10.883 -40.056 523 HG2 PRO 56 HG2 PRO 56 3.158 12.459 -38.227 524 HG3 PRO 56 HG1 PRO 56 2.717 11.384 -39.561 525 HD2 PRO 56 HD2 PRO 56 2.516 10.508 -37.090 526 HD3 PRO 56 HD1 PRO 56 3.212 9.435 -38.327 527 H HIS 57 HN HIS 57 8.136 11.606 -37.814 528 HA HIS 57 HA HIS 57 9.518 13.279 -37.223 529 HB2 HIS 57 HB2 HIS 57 7.037 14.964 -36.777 530 HB3 HIS 57 HB1 HIS 57 8.669 15.562 -36.535 531 HD1 HIS 57 HD1 HIS 57 9.763 16.605 -38.523 532 HD2 HIS 57 HD2 HIS 57 6.587 14.156 -39.618 533 HE1 HIS 57 HE1 HIS 57 9.416 17.016 -40.980 534 HE2 HIS 57 HE2 HIS 57 7.470 15.544 -41.619 535 H VAL 58 HN VAL 58 7.328 11.893 -35.011 536 HA VAL 58 HA VAL 58 8.425 13.073 -32.615 537 HB VAL 58 HB VAL 58 6.120 11.733 -32.921 538 HG11 VAL 58 HG11 VAL 58 6.120 9.427 -32.157 539 HG12 VAL 58 HG12 VAL 58 7.877 9.440 -32.007 540 HG13 VAL 58 HG13 VAL 58 7.130 9.573 -33.599 541 HG21 VAL 58 HG21 VAL 58 6.788 12.864 -30.852 542 HG22 VAL 58 HG22 VAL 58 7.747 11.462 -30.377 543 HG23 VAL 58 HG23 VAL 58 5.989 11.330 -30.499 544 H ASN 59 HN ASN 59 10.204 12.322 -31.405 545 HA ASN 59 HA ASN 59 11.755 10.075 -32.578 546 HB2 ASN 59 HB2 ASN 59 12.750 12.403 -30.887 547 HB3 ASN 59 HB1 ASN 59 13.745 11.066 -31.443 548 HD21 ASN 59 HD21 ASN 59 15.094 12.005 -32.815 549 HD22 ASN 59 HD22 ASN 59 14.657 12.985 -34.171 550 H VAL 60 HN VAL 60 11.194 8.317 -31.497 551 HA VAL 60 HA VAL 60 11.009 8.390 -28.542 552 HB VAL 60 HB VAL 60 9.459 6.339 -28.866 553 HG11 VAL 60 HG11 VAL 60 8.658 8.543 -28.038 554 HG12 VAL 60 HG12 VAL 60 7.442 7.786 -29.068 555 HG13 VAL 60 HG13 VAL 60 8.439 9.099 -29.702 556 HG21 VAL 60 HG21 VAL 60 9.167 7.529 -31.657 557 HG22 VAL 60 HG22 VAL 60 8.142 6.263 -30.967 558 HG23 VAL 60 HG23 VAL 60 9.850 5.947 -31.269 559 H LEU 61 HN LEU 61 12.509 7.272 -27.589 560 HA LEU 61 HA LEU 61 14.121 5.319 -29.071 561 HB2 LEU 61 HB2 LEU 61 14.970 7.164 -26.822 562 HB3 LEU 61 HB1 LEU 61 16.000 5.964 -27.571 563 HG LEU 61 HG LEU 61 15.612 7.282 -29.750 564 HD11 LEU 61 HD11 LEU 61 13.777 8.639 -29.279 565 HD12 LEU 61 HD12 LEU 61 15.165 9.698 -29.505 566 HD13 LEU 61 HD13 LEU 61 14.571 9.351 -27.878 567 HD21 LEU 61 HD21 LEU 61 17.439 8.846 -29.317 568 HD22 LEU 61 HD22 LEU 61 17.772 7.283 -28.570 569 HD23 LEU 61 HD23 LEU 61 17.223 8.635 -27.576 570 H LYS 62 HN LYS 62 14.267 3.353 -28.306 571 HA LYS 62 HA LYS 62 13.301 2.581 -25.636 572 HB2 LYS 62 HB2 LYS 62 12.049 1.405 -27.239 573 HB3 LYS 62 HB1 LYS 62 13.380 1.324 -28.370 574 HG2 LYS 62 HG2 LYS 62 12.931 -0.858 -27.692 575 HG3 LYS 62 HG1 LYS 62 14.443 -0.415 -26.918 576 HD2 LYS 62 HD2 LYS 62 13.119 0.026 -24.819 577 HD3 LYS 62 HD1 LYS 62 11.690 -0.604 -25.649 578 HE2 LYS 62 HE2 LYS 62 12.707 -2.352 -24.274 579 HE3 LYS 62 HE1 LYS 62 12.855 -2.776 -25.983 580 HZ1 LYS 62 HZ1 LYS 62 14.987 -1.563 -24.304 581 HZ2 LYS 62 HZ2 LYS 62 15.142 -1.999 -25.927 582 HZ3 LYS 62 HZ3 LYS 62 14.901 -3.190 -24.755 583 H ASN 63 HN ASN 63 14.984 2.457 -24.235 584 HA ASN 63 HA ASN 63 17.051 2.189 -23.317 585 HB2 ASN 63 HB2 ASN 63 16.435 -0.202 -23.816 586 HB3 ASN 63 HB1 ASN 63 17.261 -0.073 -25.361 587 HD21 ASN 63 HD21 ASN 63 18.683 -1.760 -24.871 588 HD22 ASN 63 HD22 ASN 63 19.949 -1.610 -23.706 589 H GLY 64 HN GLY 64 16.834 4.137 -25.371 590 HA2 GLY 64 HA2 GLY 64 18.320 5.720 -26.195 591 HA3 GLY 64 HA1 GLY 64 19.637 4.577 -26.013 592 H ARG 65 HN ARG 65 17.267 2.965 -27.704 593 HA ARG 65 HA ARG 65 18.420 3.649 -30.345 594 HB2 ARG 65 HB2 ARG 65 18.804 1.317 -29.711 595 HB3 ARG 65 HB1 ARG 65 17.091 1.074 -29.398 596 HG2 ARG 65 HG2 ARG 65 17.828 0.075 -31.553 597 HG3 ARG 65 HG1 ARG 65 16.569 1.292 -31.769 598 HD2 ARG 65 HD2 ARG 65 18.384 1.433 -33.476 599 HD3 ARG 65 HD1 ARG 65 18.192 2.915 -32.543 600 HE ARG 65 HE ARG 65 20.171 2.314 -31.282 601 HH11 ARG 65 HH11 ARG 65 19.717 0.444 -34.226 602 HH12 ARG 65 HH12 ARG 65 21.405 0.131 -34.425 603 HH21 ARG 65 HH21 ARG 65 22.364 1.886 -31.538 604 HH22 ARG 65 HH22 ARG 65 22.913 0.943 -32.881 605 H GLU 66 HN GLU 66 17.161 4.904 -31.520 606 HA GLU 66 HA GLU 66 14.513 5.581 -30.819 607 HB2 GLU 66 HB2 GLU 66 16.461 6.905 -32.081 608 HB3 GLU 66 HB1 GLU 66 15.644 6.311 -33.516 609 HG2 GLU 66 HG2 GLU 66 13.580 7.462 -32.825 610 HG3 GLU 66 HG1 GLU 66 14.345 7.958 -31.329 611 H VAL 67 HN VAL 67 12.901 4.200 -31.069 612 HA VAL 67 HA VAL 67 12.822 2.063 -32.936 613 HB VAL 67 HB VAL 67 10.522 1.610 -32.047 614 HG11 VAL 67 HG11 VAL 67 11.281 0.938 -29.798 615 HG12 VAL 67 HG12 VAL 67 12.729 1.937 -29.993 616 HG13 VAL 67 HG13 VAL 67 12.465 0.548 -31.052 617 HG21 VAL 67 HG21 VAL 67 9.717 2.855 -30.068 618 HG22 VAL 67 HG22 VAL 67 9.826 3.908 -31.480 619 HG23 VAL 67 HG23 VAL 67 11.062 3.992 -30.222 620 H VAL 68 HN VAL 68 12.117 5.267 -33.565 621 HA VAL 68 HA VAL 68 10.007 4.964 -35.463 622 HB VAL 68 HB VAL 68 10.666 7.115 -36.381 623 HG11 VAL 68 HG11 VAL 68 11.016 7.077 -33.361 624 HG12 VAL 68 HG12 VAL 68 9.484 7.160 -34.238 625 HG13 VAL 68 HG13 VAL 68 10.628 8.499 -34.332 626 HG21 VAL 68 HG21 VAL 68 13.102 6.815 -36.547 627 HG22 VAL 68 HG22 VAL 68 13.255 6.861 -34.791 628 HG23 VAL 68 HG23 VAL 68 12.735 8.302 -35.668 629 H HIS 69 HN HIS 69 13.348 4.073 -35.506 630 HA HIS 69 HA HIS 69 13.609 3.828 -38.401 631 HB2 HIS 69 HB2 HIS 69 15.495 2.870 -36.194 632 HB3 HIS 69 HB1 HIS 69 15.884 2.977 -37.910 633 HD1 HIS 69 HD1 HIS 69 15.377 5.678 -38.792 634 HD2 HIS 69 HD2 HIS 69 16.558 4.968 -34.863 635 HE1 HIS 69 HE1 HIS 69 16.208 7.891 -37.926 636 HE2 HIS 69 HE2 HIS 69 16.708 7.481 -35.498 637 H LEU 70 HN LEU 70 12.402 1.912 -35.833 638 HA LEU 70 HA LEU 70 12.144 -0.469 -37.526 639 HB2 LEU 70 HB2 LEU 70 12.737 -1.984 -35.637 640 HB3 LEU 70 HB1 LEU 70 14.091 -1.044 -36.215 641 HG LEU 70 HG LEU 70 12.582 -0.189 -33.715 642 HD11 LEU 70 HD11 LEU 70 13.241 -2.527 -33.342 643 HD12 LEU 70 HD12 LEU 70 14.176 -1.429 -32.330 644 HD13 LEU 70 HD13 LEU 70 14.912 -2.142 -33.771 645 HD21 LEU 70 HD21 LEU 70 15.454 0.287 -34.609 646 HD22 LEU 70 HD22 LEU 70 14.721 0.876 -33.113 647 HD23 LEU 70 HD23 LEU 70 14.137 1.464 -34.667 648 H ASP 71 HN ASP 71 10.943 -2.007 -35.268 649 HA ASP 71 HA ASP 71 8.260 -1.169 -35.389 650 HB2 ASP 71 HB2 ASP 71 9.710 -3.077 -33.514 651 HB3 ASP 71 HB1 ASP 71 7.967 -2.827 -33.447 652 H GLY 72 HN GLY 72 7.592 0.755 -34.581 653 HA2 GLY 72 HA2 GLY 72 8.688 1.990 -32.217 654 HA3 GLY 72 HA1 GLY 72 7.339 2.572 -33.166 655 H MET 73 HN MET 73 5.697 0.323 -33.038 656 HA MET 73 HA MET 73 4.419 0.840 -30.505 657 HB2 MET 73 HB2 MET 73 3.663 -0.606 -33.044 658 HB3 MET 73 HB1 MET 73 2.746 -0.967 -31.585 659 HG2 MET 73 HG2 MET 73 3.134 1.861 -32.594 660 HG3 MET 73 HG1 MET 73 1.779 0.831 -33.071 661 HE1 MET 73 HE1 MET 73 0.483 3.169 -31.978 662 HE2 MET 73 HE2 MET 73 1.994 3.750 -31.278 663 HE3 MET 73 HE3 MET 73 0.572 3.528 -30.255 664 H ALA 74 HN ALA 74 6.046 -1.976 -31.954 665 HA ALA 74 HA ALA 74 6.174 -3.244 -29.298 666 HB1 ALA 74 HB1 ALA 74 4.072 -4.084 -30.279 667 HB2 ALA 74 HB2 ALA 74 5.255 -5.380 -30.097 668 HB3 ALA 74 HB3 ALA 74 4.957 -4.674 -31.689 669 H THR 75 HN THR 75 8.397 -2.554 -29.663 670 HA THR 75 HA THR 75 9.998 -3.965 -31.605 671 HB THR 75 HB THR 75 10.722 -1.748 -31.192 672 HG1 THR 75 HG1 THR 75 12.471 -3.070 -31.452 673 HG21 THR 75 HG21 THR 75 9.708 -1.366 -28.971 674 HG22 THR 75 HG22 THR 75 11.398 -0.862 -29.004 675 HG23 THR 75 HG23 THR 75 10.949 -2.379 -28.224 676 H ALA 76 HN ALA 76 10.101 -3.955 -27.968 677 HA ALA 76 HA ALA 76 10.746 -6.650 -27.558 678 HB1 ALA 76 HB1 ALA 76 12.718 -6.190 -28.993 679 HB2 ALA 76 HB2 ALA 76 13.210 -6.588 -27.346 680 HB3 ALA 76 HB3 ALA 76 13.226 -4.908 -27.891 681 H LEU 77 HN LEU 77 9.267 -4.643 -26.084 682 HA LEU 77 HA LEU 77 11.027 -3.206 -24.308 683 HB2 LEU 77 HB2 LEU 77 8.900 -2.205 -25.143 684 HB3 LEU 77 HB1 LEU 77 8.010 -3.364 -24.176 685 HG LEU 77 HG LEU 77 8.920 -2.395 -22.101 686 HD11 LEU 77 HD11 LEU 77 10.242 -0.333 -22.139 687 HD12 LEU 77 HD12 LEU 77 10.350 -0.424 -23.899 688 HD13 LEU 77 HD13 LEU 77 11.097 -1.674 -22.898 689 HD21 LEU 77 HD21 LEU 77 7.762 -0.232 -22.163 690 HD22 LEU 77 HD22 LEU 77 6.822 -1.486 -22.963 691 HD23 LEU 77 HD23 LEU 77 7.708 -0.300 -23.924 692 H ASP 78 HN ASP 78 11.339 -3.477 -22.140 693 HA ASP 78 HA ASP 78 10.633 -6.087 -20.970 694 HB2 ASP 78 HB2 ASP 78 12.724 -6.281 -22.373 695 HB3 ASP 78 HB1 ASP 78 13.468 -5.035 -21.387 696 H ASP 79 HN ASP 79 11.464 -6.210 -18.678 697 HA ASP 79 HA ASP 79 10.655 -3.955 -17.160 698 HB2 ASP 79 HB2 ASP 79 10.390 -6.261 -16.333 699 HB3 ASP 79 HB1 ASP 79 12.129 -6.490 -16.333 700 H GLY 80 HN GLY 80 11.788 -2.536 -15.913 701 HA2 GLY 80 HA2 GLY 80 13.457 -1.150 -15.224 702 HA3 GLY 80 HA1 GLY 80 14.609 -2.428 -15.581 703 H ASP 81 HN ASP 81 12.530 -1.339 -18.182 704 HA ASP 81 HA ASP 81 14.897 -0.486 -19.635 705 HB2 ASP 81 HB2 ASP 81 13.015 -1.917 -20.712 706 HB3 ASP 81 HB1 ASP 81 12.074 -0.442 -20.767 707 H ALA 82 HN ALA 82 15.420 1.573 -20.225 708 HA ALA 82 HA ALA 82 13.711 3.794 -19.304 709 HB1 ALA 82 HB1 ALA 82 15.692 5.216 -19.678 710 HB2 ALA 82 HB2 ALA 82 16.588 3.824 -20.296 711 HB3 ALA 82 HB3 ALA 82 16.060 3.860 -18.612 712 H VAL 83 HN VAL 83 12.104 3.882 -20.856 713 HA VAL 83 HA VAL 83 12.708 4.056 -23.726 714 HB VAL 83 HB VAL 83 10.010 4.493 -22.329 715 HG11 VAL 83 HG11 VAL 83 10.072 5.368 -24.626 716 HG12 VAL 83 HG12 VAL 83 9.024 3.949 -24.542 717 HG13 VAL 83 HG13 VAL 83 10.645 3.809 -25.229 718 HG21 VAL 83 HG21 VAL 83 10.833 2.272 -21.722 719 HG22 VAL 83 HG22 VAL 83 11.129 1.887 -23.420 720 HG23 VAL 83 HG23 VAL 83 9.477 2.134 -22.846 721 H SER 84 HN SER 84 13.656 5.983 -24.206 722 HA SER 84 HA SER 84 12.889 8.522 -23.011 723 HB2 SER 84 HB2 SER 84 14.797 7.861 -25.296 724 HB3 SER 84 HB1 SER 84 14.619 9.449 -24.570 725 HG SER 84 HG SER 84 15.193 7.256 -22.920 726 H VAL 85 HN VAL 85 11.879 10.281 -24.214 727 HA VAL 85 HA VAL 85 10.795 9.751 -26.867 728 HB VAL 85 HB VAL 85 8.482 10.365 -26.366 729 HG11 VAL 85 HG11 VAL 85 9.308 8.091 -24.523 730 HG12 VAL 85 HG12 VAL 85 8.968 7.954 -26.249 731 HG13 VAL 85 HG13 VAL 85 7.676 8.391 -25.131 732 HG21 VAL 85 HG21 VAL 85 9.304 10.527 -23.455 733 HG22 VAL 85 HG22 VAL 85 7.644 10.632 -24.051 734 HG23 VAL 85 HG23 VAL 85 8.820 11.875 -24.491 735 H PHE 86 HN PHE 86 10.468 11.542 -28.026 736 HA PHE 86 HA PHE 86 10.849 14.258 -26.913 737 HB2 PHE 86 HB2 PHE 86 12.081 13.217 -29.528 738 HB3 PHE 86 HB1 PHE 86 12.205 14.854 -28.915 739 HD1 PHE 86 HD2 PHE 86 13.111 11.325 -27.971 740 HD2 PHE 86 HD1 PHE 86 14.209 15.453 -27.816 741 HE1 PHE 86 HE2 PHE 86 15.264 10.733 -26.954 742 HE2 PHE 86 HE1 PHE 86 16.377 14.826 -26.815 743 HZ PHE 86 HZ PHE 86 16.896 12.445 -26.403 744 HA PRO 87 HA PRO 87 6.894 14.582 -29.205 745 HB2 PRO 87 HB2 PRO 87 6.876 17.371 -29.516 746 HB3 PRO 87 HB1 PRO 87 6.364 16.525 -28.054 747 HG2 PRO 87 HG2 PRO 87 9.021 17.774 -28.691 748 HG3 PRO 87 HG1 PRO 87 8.073 17.859 -27.190 749 HD2 PRO 87 HD2 PRO 87 10.160 16.218 -27.352 750 HD3 PRO 87 HD1 PRO 87 8.677 15.691 -26.524 751 HA PRO 88 HA PRO 88 7.870 14.968 -33.562 752 HB2 PRO 88 HB2 PRO 88 5.594 16.083 -34.638 753 HB3 PRO 88 HB1 PRO 88 5.696 14.391 -34.128 754 HG2 PRO 88 HG2 PRO 88 4.541 16.756 -32.656 755 HG3 PRO 88 HG1 PRO 88 3.891 15.113 -32.827 756 HD2 PRO 88 HD2 PRO 88 5.206 15.930 -30.575 757 HD3 PRO 88 HD1 PRO 88 5.289 14.251 -31.163 758 H VAL 89 HN VAL 89 9.120 16.373 -34.584 759 HA VAL 89 HA VAL 89 8.778 19.290 -34.232 760 HB VAL 89 HB VAL 89 11.305 19.506 -34.238 761 HG11 VAL 89 HG11 VAL 89 10.141 17.954 -31.887 762 HG12 VAL 89 HG12 VAL 89 10.064 19.702 -32.128 763 HG13 VAL 89 HG13 VAL 89 11.620 18.923 -31.845 764 HG21 VAL 89 HG21 VAL 89 12.705 17.525 -33.657 765 HG22 VAL 89 HG22 VAL 89 11.910 17.322 -35.218 766 HG23 VAL 89 HG23 VAL 89 11.283 16.484 -33.798 767 H ALA 90 HN ALA 90 8.720 20.371 -36.105 768 HA ALA 90 HA ALA 90 9.790 19.148 -38.584 769 HB1 ALA 90 HB1 ALA 90 7.796 19.919 -39.823 770 HB2 ALA 90 HB2 ALA 90 7.069 20.510 -38.325 771 HB3 ALA 90 HB3 ALA 90 7.344 18.781 -38.553 772 H GLY 91 HN GLY 91 11.553 20.487 -38.704 773 HA2 GLY 91 HA2 GLY 91 11.104 23.239 -39.553 774 HA3 GLY 91 HA1 GLY 91 12.006 23.063 -38.048 775 H GLY 92 HN GLY 92 12.184 20.784 -40.723 776 HA2 GLY 92 HA2 GLY 92 14.432 21.680 -42.113 777 HA3 GLY 92 HA1 GLY 92 15.038 20.761 -40.738 Start of MODEL 6 1 H1 GLY -13 HT1 GLY -13 -3.055 -12.459 -1.176 2 H2 GLY -13 HT2 GLY -13 -2.117 -12.875 0.167 3 H3 GLY -13 HT3 GLY -13 -1.993 -13.777 -1.257 4 HA2 GLY -13 HA1 GLY -13 -0.105 -12.333 -1.025 5 HA3 GLY -13 HA2 GLY -13 -1.079 -11.881 -2.417 6 H GLY -12 HN GLY -12 -1.606 -9.772 -2.582 7 HA2 GLY -12 HA2 GLY -12 -2.628 -7.786 -1.606 8 HA3 GLY -12 HA1 GLY -12 -1.652 -8.041 -0.165 9 H GLY -11 HN GLY -11 -1.241 -7.662 -3.698 10 HA2 GLY -11 HA2 GLY -11 0.873 -5.627 -3.247 11 HA3 GLY -11 HA1 GLY -11 1.158 -6.979 -4.342 12 H ARG -10 HN ARG -10 1.425 -5.592 -6.120 13 HA ARG -10 HA ARG -10 -0.903 -4.038 -7.068 14 HB2 ARG -10 HB2 ARG -10 2.021 -4.026 -7.955 15 HB3 ARG -10 HB1 ARG -10 0.748 -3.051 -8.697 16 HG2 ARG -10 HG2 ARG -10 0.382 -1.904 -6.516 17 HG3 ARG -10 HG1 ARG -10 1.700 -2.850 -5.811 18 HD2 ARG -10 HD2 ARG -10 3.298 -1.811 -7.357 19 HD3 ARG -10 HD1 ARG -10 1.986 -0.938 -8.159 20 HE ARG -10 HE ARG -10 2.647 -0.499 -5.302 21 HH11 ARG -10 HH11 ARG -10 2.100 0.813 -8.509 22 HH12 ARG -10 HH12 ARG -10 2.153 2.454 -7.975 23 HH21 ARG -10 HH21 ARG -10 2.686 1.643 -4.604 24 HH22 ARG -10 HH22 ARG -10 2.488 2.932 -5.746 25 H ASP -9 HN ASP -9 -0.942 -6.878 -7.107 26 HA ASP -9 HA ASP -9 -0.528 -7.775 -9.833 27 HB2 ASP -9 HB2 ASP -9 -1.582 -9.918 -9.007 28 HB3 ASP -9 HB1 ASP -9 -0.141 -9.413 -8.136 29 H TYR -8 HN TYR -8 -1.934 -7.652 -11.417 30 HA TYR -8 HA TYR -8 -4.725 -6.798 -10.920 31 HB2 TYR -8 HB2 TYR -8 -3.162 -6.630 -13.536 32 HB3 TYR -8 HB1 TYR -8 -4.686 -5.836 -13.155 33 HD1 TYR -8 HD1 TYR -8 -4.640 -4.065 -11.225 34 HD2 TYR -8 HD2 TYR -8 -1.120 -5.471 -13.198 35 HE1 TYR -8 HE1 TYR -8 -3.424 -2.062 -10.482 36 HE2 TYR -8 HE2 TYR -8 0.086 -3.460 -12.466 37 HH TYR -8 HH TYR -8 -1.110 -1.360 -10.081 38 H LYS -7 HN LYS -7 -3.385 -9.608 -10.992 39 HA LYS -7 HA LYS -7 -5.325 -11.040 -12.586 40 HB2 LYS -7 HB2 LYS -7 -3.661 -12.133 -14.057 41 HB3 LYS -7 HB1 LYS -7 -3.689 -10.390 -14.306 42 HG2 LYS -7 HG2 LYS -7 -1.668 -10.467 -12.534 43 HG3 LYS -7 HG1 LYS -7 -1.528 -12.126 -13.136 44 HD2 LYS -7 HD2 LYS -7 -1.536 -11.047 -15.503 45 HD3 LYS -7 HD1 LYS -7 -1.261 -9.520 -14.658 46 HE2 LYS -7 HE2 LYS -7 0.799 -10.534 -13.643 47 HE3 LYS -7 HE1 LYS -7 0.542 -11.959 -14.661 48 HZ1 LYS -7 HZ1 LYS -7 0.654 -10.446 -16.600 49 HZ2 LYS -7 HZ2 LYS -7 2.092 -10.519 -15.725 50 HZ3 LYS -7 HZ3 LYS -7 1.070 -9.177 -15.562 51 H ASP -6 HN ASP -6 -4.988 -13.430 -12.359 52 HA ASP -6 HA ASP -6 -4.640 -14.002 -9.543 53 HB2 ASP -6 HB2 ASP -6 -6.589 -14.816 -10.866 54 HB3 ASP -6 HB1 ASP -6 -5.514 -15.819 -11.833 55 H ASP -5 HN ASP -5 -2.415 -13.966 -11.968 56 HA ASP -5 HA ASP -5 -1.000 -16.388 -11.779 57 HB2 ASP -5 HB2 ASP -5 -0.050 -13.592 -12.544 58 HB3 ASP -5 HB1 ASP -5 0.965 -15.026 -12.682 59 H ASP -4 HN ASP -4 1.070 -16.812 -10.861 60 HA ASP -4 HA ASP -4 1.307 -16.527 -8.090 61 HB2 ASP -4 HB2 ASP -4 2.313 -18.388 -9.334 62 HB3 ASP -4 HB1 ASP -4 3.372 -17.290 -10.207 63 H ASP -3 HN ASP -3 3.434 -15.141 -10.587 64 HA ASP -3 HA ASP -3 4.396 -13.002 -8.871 65 HB2 ASP -3 HB2 ASP -3 5.891 -14.078 -10.554 66 HB3 ASP -3 HB1 ASP -3 4.827 -13.534 -11.847 67 H LYS -2 HN LYS -2 3.845 -10.809 -9.145 68 HA LYS -2 HA LYS -2 1.172 -10.182 -9.845 69 HB2 LYS -2 HB2 LYS -2 1.631 -7.974 -9.125 70 HB3 LYS -2 HB1 LYS -2 2.729 -8.950 -8.162 71 HG2 LYS -2 HG2 LYS -2 3.514 -7.440 -10.674 72 HG3 LYS -2 HG1 LYS -2 3.713 -6.816 -9.049 73 HD2 LYS -2 HD2 LYS -2 5.057 -9.337 -10.101 74 HD3 LYS -2 HD1 LYS -2 5.809 -7.737 -10.097 75 HE2 LYS -2 HE2 LYS -2 5.595 -7.671 -7.623 76 HE3 LYS -2 HE1 LYS -2 4.911 -9.299 -7.647 77 HZ1 LYS -2 HZ1 LYS -2 6.997 -10.047 -8.712 78 HZ2 LYS -2 HZ2 LYS -2 7.226 -9.423 -7.152 79 HZ3 LYS -2 HZ3 LYS -2 7.636 -8.493 -8.500 80 H GLY -1 HN GLY -1 4.132 -10.171 -11.647 81 HA2 GLY -1 HA2 GLY -1 4.630 -9.922 -13.843 82 HA3 GLY -1 HA1 GLY -1 2.923 -10.135 -14.157 83 H THR 0 HN THR 0 4.710 -7.598 -12.471 84 HA THR 0 HA THR 0 3.745 -5.607 -14.445 85 HB THR 0 HB THR 0 3.568 -3.947 -12.659 86 HG1 THR 0 HG1 THR 0 3.706 -4.925 -10.398 87 HG21 THR 0 HG21 THR 0 2.055 -6.468 -11.892 88 HG22 THR 0 HG22 THR 0 1.536 -5.262 -13.075 89 HG23 THR 0 HG23 THR 0 1.655 -4.832 -11.367 90 H MET 1 HN MET 1 5.236 -4.068 -15.074 91 HA MET 1 HA MET 1 8.026 -4.401 -14.147 92 HB2 MET 1 HB2 MET 1 8.778 -4.102 -16.455 93 HB3 MET 1 HB1 MET 1 7.701 -5.483 -16.339 94 HG2 MET 1 HG2 MET 1 5.892 -4.174 -17.319 95 HG3 MET 1 HG1 MET 1 6.941 -2.750 -17.389 96 HE1 MET 1 HE1 MET 1 6.817 -3.584 -21.153 97 HE2 MET 1 HE2 MET 1 6.683 -2.333 -19.917 98 HE3 MET 1 HE3 MET 1 5.492 -3.634 -19.992 99 H GLU 2 HN GLU 2 9.257 -2.540 -13.949 100 HA GLU 2 HA GLU 2 7.718 -0.013 -13.988 101 HB2 GLU 2 HB2 GLU 2 8.706 -1.016 -11.794 102 HB3 GLU 2 HB1 GLU 2 10.257 -0.443 -12.385 103 HG2 GLU 2 HG2 GLU 2 9.320 1.862 -12.505 104 HG3 GLU 2 HG1 GLU 2 7.794 1.248 -11.858 105 H LEU 3 HN LEU 3 8.246 1.322 -15.597 106 HA LEU 3 HA LEU 3 10.755 0.989 -17.108 107 HB2 LEU 3 HB2 LEU 3 8.253 2.502 -17.943 108 HB3 LEU 3 HB1 LEU 3 9.535 1.867 -18.973 109 HG LEU 3 HG LEU 3 7.553 0.152 -17.419 110 HD11 LEU 3 HD11 LEU 3 7.580 0.916 -20.347 111 HD12 LEU 3 HD12 LEU 3 6.397 1.407 -19.131 112 HD13 LEU 3 HD13 LEU 3 6.513 -0.284 -19.609 113 HD21 LEU 3 HD21 LEU 3 9.593 -0.626 -19.536 114 HD22 LEU 3 HD22 LEU 3 8.392 -1.701 -18.814 115 HD23 LEU 3 HD23 LEU 3 9.667 -1.015 -17.814 116 H GLU 4 HN GLU 4 12.158 2.748 -17.411 117 HA GLU 4 HA GLU 4 11.578 5.255 -16.018 118 HB2 GLU 4 HB2 GLU 4 13.854 4.291 -15.796 119 HB3 GLU 4 HB1 GLU 4 14.078 4.395 -17.537 120 HG2 GLU 4 HG2 GLU 4 13.942 6.850 -17.428 121 HG3 GLU 4 HG1 GLU 4 13.658 6.765 -15.686 122 H LEU 5 HN LEU 5 10.043 6.372 -17.201 123 HA LEU 5 HA LEU 5 10.285 6.506 -20.126 124 HB2 LEU 5 HB2 LEU 5 8.100 7.653 -18.365 125 HB3 LEU 5 HB1 LEU 5 8.061 7.477 -20.114 126 HG LEU 5 HG LEU 5 8.010 5.224 -18.060 127 HD11 LEU 5 HD11 LEU 5 5.901 6.446 -18.242 128 HD12 LEU 5 HD12 LEU 5 5.751 4.813 -18.884 129 HD13 LEU 5 HD13 LEU 5 5.879 6.186 -19.990 130 HD21 LEU 5 HD21 LEU 5 9.274 4.492 -20.028 131 HD22 LEU 5 HD22 LEU 5 7.967 5.013 -21.096 132 HD23 LEU 5 HD23 LEU 5 7.709 3.686 -19.959 133 H ARG 6 HN ARG 6 11.722 7.934 -20.735 134 HA ARG 6 HA ARG 6 12.157 10.412 -19.231 135 HB2 ARG 6 HB2 ARG 6 13.869 9.468 -21.561 136 HB3 ARG 6 HB1 ARG 6 14.316 10.495 -20.197 137 HG2 ARG 6 HG2 ARG 6 13.912 8.338 -18.757 138 HG3 ARG 6 HG1 ARG 6 14.004 7.484 -20.299 139 HD2 ARG 6 HD2 ARG 6 16.189 7.407 -19.304 140 HD3 ARG 6 HD1 ARG 6 16.282 8.562 -20.638 141 HE ARG 6 HE ARG 6 15.826 10.278 -18.764 142 HH11 ARG 6 HH11 ARG 6 17.916 7.487 -18.421 143 HH12 ARG 6 HH12 ARG 6 18.787 8.156 -17.084 144 HH21 ARG 6 HH21 ARG 6 16.934 11.114 -16.983 145 HH22 ARG 6 HH22 ARG 6 18.241 10.214 -16.279 146 H PHE 7 HN PHE 7 11.092 12.151 -19.922 147 HA PHE 7 HA PHE 7 10.159 12.375 -22.730 148 HB2 PHE 7 HB2 PHE 7 9.239 13.837 -20.203 149 HB3 PHE 7 HB1 PHE 7 8.603 14.116 -21.825 150 HD1 PHE 7 HD2 PHE 7 8.811 11.681 -19.057 151 HD2 PHE 7 HD1 PHE 7 7.028 12.579 -22.833 152 HE1 PHE 7 HE2 PHE 7 7.207 9.849 -18.751 153 HE2 PHE 7 HE1 PHE 7 5.410 10.750 -22.497 154 HZ PHE 7 HZ PHE 7 5.511 9.382 -20.457 155 H PHE 8 HN PHE 8 10.823 14.013 -23.976 156 HA PHE 8 HA PHE 8 12.569 16.129 -22.864 157 HB2 PHE 8 HB2 PHE 8 13.047 14.629 -25.483 158 HB3 PHE 8 HB1 PHE 8 14.058 15.908 -24.814 159 HD1 PHE 8 HD1 PHE 8 15.484 15.459 -22.800 160 HD2 PHE 8 HD2 PHE 8 13.195 12.346 -24.630 161 HE1 PHE 8 HE1 PHE 8 16.775 13.769 -21.560 162 HE2 PHE 8 HE2 PHE 8 14.494 10.676 -23.394 163 HZ PHE 8 HZ PHE 8 16.279 11.377 -21.849 164 H ALA 9 HN ALA 9 12.650 18.051 -24.187 165 HA ALA 9 HA ALA 9 11.767 19.794 -25.284 166 HB1 ALA 9 HB1 ALA 9 12.339 18.443 -27.222 167 HB2 ALA 9 HB2 ALA 9 10.874 19.378 -27.541 168 HB3 ALA 9 HB3 ALA 9 10.760 17.660 -27.159 169 H THR 10 HN THR 10 8.996 19.226 -26.878 170 HA THR 10 HA THR 10 7.297 20.541 -25.103 171 HB THR 10 HB THR 10 6.479 18.784 -27.464 172 HG1 THR 10 HG1 THR 10 6.894 20.520 -28.716 173 HG21 THR 10 HG21 THR 10 4.529 19.413 -26.074 174 HG22 THR 10 HG22 THR 10 4.501 20.266 -27.618 175 HG23 THR 10 HG23 THR 10 5.010 21.111 -26.155 176 H PHE 11 HN PHE 11 7.630 17.005 -25.704 177 HA PHE 11 HA PHE 11 5.385 16.182 -24.162 178 HB2 PHE 11 HB2 PHE 11 7.924 14.699 -24.921 179 HB3 PHE 11 HB1 PHE 11 6.640 13.934 -24.005 180 HD1 PHE 11 HD1 PHE 11 4.776 15.922 -26.104 181 HD2 PHE 11 HD2 PHE 11 7.399 12.544 -26.326 182 HE1 PHE 11 HE1 PHE 11 3.686 15.188 -28.183 183 HE2 PHE 11 HE2 PHE 11 6.292 11.839 -28.416 184 HZ PHE 11 HZ PHE 11 4.431 13.150 -29.326 185 H ARG 12 HN ARG 12 8.642 17.126 -23.275 186 HA ARG 12 HA ARG 12 8.812 15.982 -20.689 187 HB2 ARG 12 HB2 ARG 12 10.771 16.785 -21.936 188 HB3 ARG 12 HB1 ARG 12 10.191 18.432 -21.806 189 HG2 ARG 12 HG2 ARG 12 10.345 18.046 -19.227 190 HG3 ARG 12 HG1 ARG 12 11.332 16.648 -19.648 191 HD2 ARG 12 HD2 ARG 12 12.745 18.607 -19.159 192 HD3 ARG 12 HD1 ARG 12 12.915 18.117 -20.847 193 HE ARG 12 HE ARG 12 12.037 20.125 -21.505 194 HH11 ARG 12 HH11 ARG 12 11.310 19.770 -18.085 195 HH12 ARG 12 HH12 ARG 12 10.675 21.374 -17.932 196 HH21 ARG 12 HH21 ARG 12 11.204 22.230 -21.284 197 HH22 ARG 12 HH22 ARG 12 10.613 22.763 -19.741 198 H GLU 13 HN GLU 13 8.023 19.290 -21.747 199 HA GLU 13 HA GLU 13 7.587 20.353 -19.143 200 HB2 GLU 13 HB2 GLU 13 6.726 22.357 -20.314 201 HB3 GLU 13 HB1 GLU 13 8.231 21.790 -21.035 202 HG2 GLU 13 HG2 GLU 13 6.942 20.716 -22.853 203 HG3 GLU 13 HG1 GLU 13 5.443 21.310 -22.146 204 H VAL 14 HN VAL 14 5.485 18.788 -21.456 205 HA VAL 14 HA VAL 14 2.956 19.314 -20.333 206 HB VAL 14 HB VAL 14 4.023 16.933 -21.900 207 HG11 VAL 14 HG11 VAL 14 1.146 17.468 -21.092 208 HG12 VAL 14 HG12 VAL 14 2.158 16.120 -20.561 209 HG13 VAL 14 HG13 VAL 14 1.673 16.242 -22.250 210 HG21 VAL 14 HG21 VAL 14 2.212 19.229 -22.752 211 HG22 VAL 14 HG22 VAL 14 2.758 17.906 -23.786 212 HG23 VAL 14 HG23 VAL 14 3.924 19.067 -23.149 213 H VAL 15 HN VAL 15 5.148 16.556 -19.807 214 HA VAL 15 HA VAL 15 3.639 15.405 -17.664 215 HB VAL 15 HB VAL 15 6.516 14.892 -18.572 216 HG11 VAL 15 HG11 VAL 15 6.366 12.723 -17.371 217 HG12 VAL 15 HG12 VAL 15 4.783 13.182 -16.734 218 HG13 VAL 15 HG13 VAL 15 6.222 14.084 -16.253 219 HG21 VAL 15 HG21 VAL 15 4.831 14.433 -20.318 220 HG22 VAL 15 HG22 VAL 15 3.941 13.393 -19.202 221 HG23 VAL 15 HG23 VAL 15 5.558 12.932 -19.738 222 H GLY 16 HN GLY 16 5.947 17.935 -17.911 223 HA2 GLY 16 HA2 GLY 16 6.888 19.380 -16.412 224 HA3 GLY 16 HA1 GLY 16 5.866 18.694 -15.163 225 H GLN 17 HN GLN 17 7.758 16.436 -16.871 226 HA GLN 17 HA GLN 17 9.897 16.314 -14.870 227 HB2 GLN 17 HB2 GLN 17 8.233 13.830 -15.482 228 HB3 GLN 17 HB1 GLN 17 9.417 14.058 -14.198 229 HG2 GLN 17 HG2 GLN 17 7.803 15.666 -13.102 230 HG3 GLN 17 HG1 GLN 17 6.641 15.284 -14.356 231 HE21 GLN 17 HE21 GLN 17 5.485 13.388 -14.254 232 HE22 GLN 17 HE22 GLN 17 5.537 12.321 -12.894 233 H LYS 18 HN LYS 18 11.808 15.537 -15.811 234 HA LYS 18 HA LYS 18 11.807 15.185 -18.701 235 HB2 LYS 18 HB2 LYS 18 14.231 15.311 -18.582 236 HB3 LYS 18 HB1 LYS 18 13.522 16.614 -17.641 237 HG2 LYS 18 HG2 LYS 18 14.071 15.530 -15.559 238 HG3 LYS 18 HG1 LYS 18 14.557 14.045 -16.384 239 HD2 LYS 18 HD2 LYS 18 15.953 16.749 -16.620 240 HD3 LYS 18 HD1 LYS 18 16.518 15.388 -15.647 241 HE2 LYS 18 HE2 LYS 18 16.789 14.033 -17.708 242 HE3 LYS 18 HE1 LYS 18 16.212 15.386 -18.680 243 HZ1 LYS 18 HZ1 LYS 18 18.127 16.671 -17.887 244 HZ2 LYS 18 HZ2 LYS 18 18.579 15.285 -18.740 245 HZ3 LYS 18 HZ3 LYS 18 18.690 15.305 -17.055 246 H SER 19 HN SER 19 12.068 13.155 -15.890 247 HA SER 19 HA SER 19 11.900 10.752 -17.518 248 HB2 SER 19 HB2 SER 19 14.118 10.896 -15.425 249 HB3 SER 19 HB1 SER 19 13.824 9.614 -16.594 250 HG SER 19 HG SER 19 14.207 11.521 -18.157 251 H ILE 20 HN ILE 20 10.673 9.239 -16.437 252 HA ILE 20 HA ILE 20 10.070 9.583 -13.553 253 HB ILE 20 HB ILE 20 7.677 9.166 -13.943 254 HG12 ILE 20 HG12 ILE 20 8.403 9.100 -16.909 255 HG13 ILE 20 HG11 ILE 20 7.763 7.760 -15.956 256 HG21 ILE 20 HG21 ILE 20 8.440 11.506 -13.970 257 HG22 ILE 20 HG22 ILE 20 7.039 11.284 -15.017 258 HG23 ILE 20 HG23 ILE 20 8.654 11.422 -15.721 259 HD11 ILE 20 HD11 ILE 20 5.641 8.968 -15.697 260 HD12 ILE 20 HD12 ILE 20 6.060 8.705 -17.390 261 HD13 ILE 20 HD13 ILE 20 6.287 10.299 -16.665 262 H TYR 21 HN TYR 21 8.902 7.564 -12.706 263 HA TYR 21 HA TYR 21 9.581 5.125 -14.242 264 HB2 TYR 21 HB2 TYR 21 9.754 5.541 -11.230 265 HB3 TYR 21 HB1 TYR 21 9.728 3.948 -11.973 266 HD1 TYR 21 HD2 TYR 21 11.654 3.204 -13.460 267 HD2 TYR 21 HD1 TYR 21 11.781 6.902 -11.297 268 HE1 TYR 21 HE2 TYR 21 14.086 3.283 -13.726 269 HE2 TYR 21 HE1 TYR 21 14.222 6.978 -11.598 270 HH TYR 21 HH TYR 21 16.085 5.327 -11.986 271 H TRP 22 HN TRP 22 7.853 4.280 -15.000 272 HA TRP 22 HA TRP 22 5.205 4.558 -13.735 273 HB2 TRP 22 HB2 TRP 22 6.202 4.603 -16.504 274 HB3 TRP 22 HB1 TRP 22 4.934 3.404 -16.339 275 HD1 TRP 22 HD1 TRP 22 5.102 7.005 -14.824 276 HE1 TRP 22 HE1 TRP 22 3.011 8.251 -15.639 277 HE3 TRP 22 HE3 TRP 22 3.071 3.352 -17.721 278 HZ2 TRP 22 HZ2 TRP 22 0.794 7.757 -17.335 279 HZ3 TRP 22 HZ3 TRP 22 0.962 3.792 -18.895 280 HH2 TRP 22 HH2 TRP 22 -0.156 5.949 -18.696 281 H ARG 23 HN ARG 23 4.070 2.766 -13.118 282 HA ARG 23 HA ARG 23 5.347 0.117 -13.552 283 HB2 ARG 23 HB2 ARG 23 5.084 0.792 -11.170 284 HB3 ARG 23 HB1 ARG 23 3.346 0.935 -11.402 285 HG2 ARG 23 HG2 ARG 23 3.811 -1.189 -10.322 286 HG3 ARG 23 HG1 ARG 23 3.254 -1.486 -11.965 287 HD2 ARG 23 HD2 ARG 23 5.069 -2.981 -11.566 288 HD3 ARG 23 HD1 ARG 23 5.653 -1.745 -12.674 289 HE ARG 23 HE ARG 23 6.552 -0.700 -10.463 290 HH11 ARG 23 HH11 ARG 23 6.490 -4.150 -11.216 291 HH12 ARG 23 HH12 ARG 23 7.915 -4.492 -10.291 292 HH21 ARG 23 HH21 ARG 23 8.416 -1.185 -9.258 293 HH22 ARG 23 HH22 ARG 23 8.992 -2.817 -9.167 294 H VAL 24 HN VAL 24 4.526 -0.715 -15.333 295 HA VAL 24 HA VAL 24 1.584 -0.848 -15.746 296 HB VAL 24 HB VAL 24 2.050 -1.264 -18.159 297 HG11 VAL 24 HG11 VAL 24 2.721 1.024 -18.817 298 HG12 VAL 24 HG12 VAL 24 3.308 1.323 -17.178 299 HG13 VAL 24 HG13 VAL 24 1.589 1.044 -17.462 300 HG21 VAL 24 HG21 VAL 24 4.291 -2.267 -17.990 301 HG22 VAL 24 HG22 VAL 24 4.968 -0.713 -17.497 302 HG23 VAL 24 HG23 VAL 24 4.307 -0.911 -19.123 303 H ASP 25 HN ASP 25 1.144 -2.935 -17.194 304 HA ASP 25 HA ASP 25 2.047 -5.278 -15.775 305 HB2 ASP 25 HB2 ASP 25 -0.259 -5.072 -16.664 306 HB3 ASP 25 HB1 ASP 25 0.362 -4.987 -18.307 307 H ASP 26 HN ASP 26 3.137 -7.107 -16.811 308 HA ASP 26 HA ASP 26 5.603 -6.373 -17.958 309 HB2 ASP 26 HB2 ASP 26 5.431 -8.308 -16.511 310 HB3 ASP 26 HB1 ASP 26 4.273 -9.083 -17.586 311 H ASP 27 HN ASP 27 2.651 -7.638 -19.397 312 HA ASP 27 HA ASP 27 3.867 -8.371 -21.928 313 HB2 ASP 27 HB2 ASP 27 2.016 -9.704 -20.935 314 HB3 ASP 27 HB1 ASP 27 0.940 -8.318 -21.058 315 H ALA 28 HN ALA 28 2.564 -5.504 -20.567 316 HA ALA 28 HA ALA 28 1.643 -4.121 -22.864 317 HB1 ALA 28 HB1 ALA 28 1.254 -3.287 -20.578 318 HB2 ALA 28 HB2 ALA 28 2.049 -2.062 -21.569 319 HB3 ALA 28 HB3 ALA 28 2.982 -2.980 -20.380 320 H THR 29 HN THR 29 2.758 -2.830 -24.364 321 HA THR 29 HA THR 29 5.727 -2.998 -24.363 322 HB THR 29 HB THR 29 5.699 -3.042 -26.822 323 HG1 THR 29 HG1 THR 29 2.858 -3.298 -26.661 324 HG21 THR 29 HG21 THR 29 3.892 -5.199 -25.661 325 HG22 THR 29 HG22 THR 29 5.660 -5.229 -25.686 326 HG23 THR 29 HG23 THR 29 4.752 -5.300 -27.199 327 H VAL 30 HN VAL 30 6.411 -1.234 -26.241 328 HA VAL 30 HA VAL 30 6.394 1.218 -24.943 329 HB VAL 30 HB VAL 30 6.982 0.633 -27.872 330 HG11 VAL 30 HG11 VAL 30 6.588 3.053 -27.606 331 HG12 VAL 30 HG12 VAL 30 8.298 2.743 -27.904 332 HG13 VAL 30 HG13 VAL 30 7.741 3.113 -26.269 333 HG21 VAL 30 HG21 VAL 30 8.865 0.842 -25.489 334 HG22 VAL 30 HG22 VAL 30 9.357 0.580 -27.165 335 HG23 VAL 30 HG23 VAL 30 8.407 -0.645 -26.323 336 H GLY 31 HN GLY 31 4.248 0.027 -27.436 337 HA2 GLY 31 HA2 GLY 31 2.868 2.442 -28.056 338 HA3 GLY 31 HA1 GLY 31 2.346 0.804 -28.425 339 H ASP 32 HN ASP 32 2.111 -0.318 -25.911 340 HA ASP 32 HA ASP 32 -0.417 0.536 -24.976 341 HB2 ASP 32 HB2 ASP 32 1.675 -1.151 -23.515 342 HB3 ASP 32 HB1 ASP 32 -0.009 -0.984 -23.019 343 H VAL 33 HN VAL 33 2.830 1.323 -24.001 344 HA VAL 33 HA VAL 33 2.317 2.691 -21.562 345 HB VAL 33 HB VAL 33 4.623 2.762 -23.547 346 HG11 VAL 33 HG11 VAL 33 4.550 4.096 -20.815 347 HG12 VAL 33 HG12 VAL 33 4.651 4.914 -22.375 348 HG13 VAL 33 HG13 VAL 33 5.986 3.901 -21.824 349 HG21 VAL 33 HG21 VAL 33 4.280 0.630 -22.373 350 HG22 VAL 33 HG22 VAL 33 4.342 1.460 -20.815 351 HG23 VAL 33 HG23 VAL 33 5.778 1.402 -21.844 352 H LEU 34 HN LEU 34 3.078 4.026 -24.824 353 HA LEU 34 HA LEU 34 2.524 6.691 -24.008 354 HB2 LEU 34 HB2 LEU 34 2.645 7.237 -26.502 355 HB3 LEU 34 HB1 LEU 34 4.068 6.576 -25.725 356 HG LEU 34 HG LEU 34 3.281 4.291 -26.756 357 HD11 LEU 34 HD11 LEU 34 1.811 6.172 -28.604 358 HD12 LEU 34 HD12 LEU 34 1.070 4.996 -27.513 359 HD13 LEU 34 HD13 LEU 34 2.070 4.442 -28.855 360 HD21 LEU 34 HD21 LEU 34 4.544 4.740 -28.819 361 HD22 LEU 34 HD22 LEU 34 5.339 5.450 -27.416 362 HD23 LEU 34 HD23 LEU 34 4.425 6.478 -28.523 363 H ARG 35 HN ARG 35 0.450 4.198 -25.377 364 HA ARG 35 HA ARG 35 -1.746 5.871 -26.029 365 HB2 ARG 35 HB2 ARG 35 -2.908 3.941 -26.548 366 HB3 ARG 35 HB1 ARG 35 -1.291 3.282 -26.544 367 HG2 ARG 35 HG2 ARG 35 -2.336 1.631 -25.335 368 HG3 ARG 35 HG1 ARG 35 -1.901 2.697 -24.001 369 HD2 ARG 35 HD2 ARG 35 -4.204 3.727 -24.182 370 HD3 ARG 35 HD1 ARG 35 -4.609 2.474 -25.362 371 HE ARG 35 HE ARG 35 -3.693 1.091 -23.183 372 HH11 ARG 35 HH11 ARG 35 -6.230 3.494 -23.575 373 HH12 ARG 35 HH12 ARG 35 -7.239 2.805 -22.347 374 HH21 ARG 35 HH21 ARG 35 -5.018 0.208 -21.571 375 HH22 ARG 35 HH22 ARG 35 -6.552 0.935 -21.216 376 H SER 36 HN SER 36 -0.712 4.344 -23.022 377 HA SER 36 HA SER 36 -2.954 5.221 -21.451 378 HB2 SER 36 HB2 SER 36 -0.244 4.121 -20.633 379 HB3 SER 36 HB1 SER 36 -1.583 4.406 -19.525 380 HG SER 36 HG SER 36 -1.166 2.354 -21.265 381 H LEU 37 HN LEU 37 0.218 6.576 -22.251 382 HA LEU 37 HA LEU 37 0.406 8.488 -20.172 383 HB2 LEU 37 HB2 LEU 37 1.849 7.978 -22.710 384 HB3 LEU 37 HB1 LEU 37 1.844 9.662 -22.257 385 HG LEU 37 HG LEU 37 3.865 8.705 -21.438 386 HD11 LEU 37 HD11 LEU 37 1.989 9.046 -19.078 387 HD12 LEU 37 HD12 LEU 37 2.829 10.339 -19.940 388 HD13 LEU 37 HD13 LEU 37 3.754 9.143 -19.039 389 HD21 LEU 37 HD21 LEU 37 2.211 6.568 -20.100 390 HD22 LEU 37 HD22 LEU 37 3.943 6.808 -19.874 391 HD23 LEU 37 HD23 LEU 37 3.316 6.374 -21.458 392 H GLU 38 HN GLU 38 -1.088 8.731 -23.398 393 HA GLU 38 HA GLU 38 -1.779 11.510 -23.171 394 HB2 GLU 38 HB2 GLU 38 -3.382 11.004 -25.073 395 HB3 GLU 38 HB1 GLU 38 -1.693 10.676 -25.371 396 HG2 GLU 38 HG2 GLU 38 -2.409 8.711 -26.215 397 HG3 GLU 38 HG1 GLU 38 -2.519 8.200 -24.538 398 H ALA 39 HN ALA 39 -3.252 8.571 -22.101 399 HA ALA 39 HA ALA 39 -5.866 9.574 -21.564 400 HB1 ALA 39 HB1 ALA 39 -4.424 7.165 -20.390 401 HB2 ALA 39 HB2 ALA 39 -5.381 7.172 -21.875 402 HB3 ALA 39 HB3 ALA 39 -6.167 7.463 -20.322 403 H GLU 40 HN GLU 40 -2.820 9.643 -19.834 404 HA GLU 40 HA GLU 40 -3.986 10.580 -17.316 405 HB2 GLU 40 HB2 GLU 40 -1.070 10.547 -18.205 406 HB3 GLU 40 HB1 GLU 40 -1.664 10.773 -16.558 407 HG2 GLU 40 HG2 GLU 40 -1.995 8.245 -18.194 408 HG3 GLU 40 HG1 GLU 40 -0.706 8.564 -17.045 409 H TYR 41 HN TYR 41 -1.746 11.812 -19.775 410 HA TYR 41 HA TYR 41 -1.995 14.524 -18.754 411 HB2 TYR 41 HB2 TYR 41 0.097 13.259 -20.557 412 HB3 TYR 41 HB1 TYR 41 0.086 14.962 -20.110 413 HD1 TYR 41 HD2 TYR 41 0.735 11.524 -18.876 414 HD2 TYR 41 HD1 TYR 41 0.695 15.678 -17.820 415 HE1 TYR 41 HE2 TYR 41 2.054 11.037 -16.843 416 HE2 TYR 41 HE1 TYR 41 2.019 15.183 -15.799 417 HH TYR 41 HH TYR 41 2.553 13.379 -14.343 418 H ASP 42 HN ASP 42 -3.260 15.879 -19.790 419 HA ASP 42 HA ASP 42 -4.634 15.323 -22.211 420 HB2 ASP 42 HB2 ASP 42 -4.363 18.038 -20.839 421 HB3 ASP 42 HB1 ASP 42 -5.652 17.522 -21.929 422 H GLY 43 HN GLY 43 -1.685 17.046 -21.445 423 HA2 GLY 43 HA2 GLY 43 -1.420 18.481 -23.941 424 HA3 GLY 43 HA1 GLY 43 -0.205 18.318 -22.680 425 H LEU 44 HN LEU 44 -0.831 15.205 -23.073 426 HA LEU 44 HA LEU 44 1.155 14.801 -25.218 427 HB2 LEU 44 HB2 LEU 44 -0.002 12.921 -23.143 428 HB3 LEU 44 HB1 LEU 44 1.080 12.390 -24.410 429 HG LEU 44 HG LEU 44 1.777 14.349 -22.196 430 HD11 LEU 44 HD11 LEU 44 2.690 11.491 -22.600 431 HD12 LEU 44 HD12 LEU 44 1.592 12.077 -21.346 432 HD13 LEU 44 HD13 LEU 44 3.272 12.605 -21.357 433 HD21 LEU 44 HD21 LEU 44 2.989 14.909 -24.240 434 HD22 LEU 44 HD22 LEU 44 3.535 13.238 -24.405 435 HD23 LEU 44 HD23 LEU 44 4.087 14.223 -23.045 436 H ALA 45 HN ALA 45 -2.143 15.025 -25.001 437 HA ALA 45 HA ALA 45 -3.120 12.637 -26.177 438 HB1 ALA 45 HB1 ALA 45 -4.476 14.182 -24.816 439 HB2 ALA 45 HB2 ALA 45 -5.225 13.895 -26.389 440 HB3 ALA 45 HB3 ALA 45 -4.368 15.409 -26.081 441 H GLY 46 HN GLY 46 -2.973 11.966 -28.246 442 HA2 GLY 46 HA2 GLY 46 -3.377 11.922 -30.515 443 HA3 GLY 46 HA1 GLY 46 -3.775 13.625 -30.460 444 H ARG 47 HN ARG 47 -0.692 12.973 -29.160 445 HA ARG 47 HA ARG 47 0.638 13.729 -31.706 446 HB2 ARG 47 HB2 ARG 47 2.220 15.114 -30.108 447 HB3 ARG 47 HB1 ARG 47 0.681 15.790 -30.628 448 HG2 ARG 47 HG2 ARG 47 -0.352 15.190 -28.519 449 HG3 ARG 47 HG1 ARG 47 1.116 14.376 -27.987 450 HD2 ARG 47 HD2 ARG 47 0.695 16.660 -27.005 451 HD3 ARG 47 HD1 ARG 47 2.271 16.425 -27.728 452 HE ARG 47 HE ARG 47 1.074 17.563 -29.770 453 HH11 ARG 47 HH11 ARG 47 0.764 18.483 -26.391 454 HH12 ARG 47 HH12 ARG 47 0.371 20.129 -26.757 455 HH21 ARG 47 HH21 ARG 47 0.610 19.732 -30.212 456 HH22 ARG 47 HH22 ARG 47 0.294 20.841 -28.919 457 H LEU 48 HN LEU 48 0.771 11.831 -28.793 458 HA LEU 48 HA LEU 48 3.358 10.664 -29.589 459 HB2 LEU 48 HB2 LEU 48 3.496 9.660 -27.476 460 HB3 LEU 48 HB1 LEU 48 2.879 11.264 -27.163 461 HG LEU 48 HG LEU 48 1.544 8.575 -26.820 462 HD11 LEU 48 HD11 LEU 48 2.748 9.444 -24.921 463 HD12 LEU 48 HD12 LEU 48 1.021 9.455 -24.579 464 HD13 LEU 48 HD13 LEU 48 1.849 10.958 -24.992 465 HD21 LEU 48 HD21 LEU 48 -0.612 9.551 -26.438 466 HD22 LEU 48 HD22 LEU 48 -0.098 9.836 -28.092 467 HD23 LEU 48 HD23 LEU 48 -0.022 11.136 -26.912 468 H ILE 49 HN ILE 49 0.199 10.295 -30.373 469 HA ILE 49 HA ILE 49 0.667 7.619 -31.521 470 HB ILE 49 HB ILE 49 -1.935 8.567 -30.260 471 HG12 ILE 49 HG12 ILE 49 -0.164 6.183 -29.623 472 HG13 ILE 49 HG11 ILE 49 -0.384 7.616 -28.622 473 HG21 ILE 49 HG21 ILE 49 -2.960 6.427 -31.036 474 HG22 ILE 49 HG22 ILE 49 -1.478 6.043 -31.915 475 HG23 ILE 49 HG23 ILE 49 -2.456 7.431 -32.395 476 HD11 ILE 49 HD11 ILE 49 -1.590 5.652 -27.822 477 HD12 ILE 49 HD12 ILE 49 -2.551 5.627 -29.294 478 HD13 ILE 49 HD13 ILE 49 -2.670 6.995 -28.180 479 H GLU 50 HN GLU 50 0.005 7.477 -33.673 480 HA GLU 50 HA GLU 50 -2.044 9.212 -34.785 481 HB2 GLU 50 HB2 GLU 50 -0.012 10.574 -35.166 482 HB3 GLU 50 HB1 GLU 50 0.769 9.223 -35.959 483 HG2 GLU 50 HG2 GLU 50 0.013 10.845 -37.602 484 HG3 GLU 50 HG1 GLU 50 -0.878 9.330 -37.790 485 H ASP 51 HN ASP 51 -3.282 7.928 -36.045 486 HA ASP 51 HA ASP 51 -4.034 6.226 -37.373 487 HB2 ASP 51 HB2 ASP 51 -2.496 7.398 -38.965 488 HB3 ASP 51 HB1 ASP 51 -1.188 6.332 -38.469 489 H GLY 52 HN GLY 52 -2.956 5.547 -34.781 490 HA2 GLY 52 HA2 GLY 52 -2.985 3.606 -33.555 491 HA3 GLY 52 HA1 GLY 52 -2.888 2.664 -35.033 492 H GLU 53 HN GLU 53 -0.372 4.535 -35.604 493 HA GLU 53 HA GLU 53 1.578 2.864 -34.158 494 HB2 GLU 53 HB2 GLU 53 3.263 3.711 -35.711 495 HB3 GLU 53 HB1 GLU 53 1.890 3.072 -36.610 496 HG2 GLU 53 HG2 GLU 53 1.174 5.195 -37.285 497 HG3 GLU 53 HG1 GLU 53 2.050 6.030 -36.012 498 H VAL 54 HN VAL 54 3.758 4.397 -33.896 499 HA VAL 54 HA VAL 54 3.266 5.936 -31.622 500 HB VAL 54 HB VAL 54 5.674 6.730 -31.829 501 HG11 VAL 54 HG11 VAL 54 5.232 3.731 -32.092 502 HG12 VAL 54 HG12 VAL 54 5.141 4.668 -30.600 503 HG13 VAL 54 HG13 VAL 54 6.684 4.497 -31.440 504 HG21 VAL 54 HG21 VAL 54 5.904 6.772 -34.285 505 HG22 VAL 54 HG22 VAL 54 5.697 5.021 -34.350 506 HG23 VAL 54 HG23 VAL 54 7.125 5.708 -33.573 507 H LYS 55 HN LYS 55 4.177 7.141 -34.922 508 HA LYS 55 HA LYS 55 2.528 9.054 -35.573 509 HB2 LYS 55 HB2 LYS 55 2.451 10.328 -33.573 510 HB3 LYS 55 HB1 LYS 55 4.175 10.249 -33.324 511 HG2 LYS 55 HG2 LYS 55 3.929 12.472 -33.889 512 HG3 LYS 55 HG1 LYS 55 4.261 11.791 -35.473 513 HD2 LYS 55 HD2 LYS 55 2.421 13.373 -35.647 514 HD3 LYS 55 HD1 LYS 55 1.812 11.743 -35.952 515 HE2 LYS 55 HE2 LYS 55 0.956 11.640 -33.630 516 HE3 LYS 55 HE1 LYS 55 1.576 13.264 -33.329 517 HZ1 LYS 55 HZ1 LYS 55 0.033 14.158 -34.875 518 HZ2 LYS 55 HZ2 LYS 55 -0.821 13.149 -33.823 519 HZ3 LYS 55 HZ3 LYS 55 -0.460 12.623 -35.387 520 HA PRO 56 HA PRO 56 5.903 9.639 -38.642 521 HB2 PRO 56 HB2 PRO 56 4.642 11.833 -39.875 522 HB3 PRO 56 HB1 PRO 56 4.387 10.138 -40.312 523 HG2 PRO 56 HG2 PRO 56 2.757 11.894 -38.473 524 HG3 PRO 56 HG1 PRO 56 2.193 10.767 -39.717 525 HD2 PRO 56 HD2 PRO 56 2.109 10.049 -37.176 526 HD3 PRO 56 HD1 PRO 56 2.662 8.869 -38.391 527 H HIS 57 HN HIS 57 7.717 10.636 -38.070 528 HA HIS 57 HA HIS 57 9.259 12.242 -37.761 529 HB2 HIS 57 HB2 HIS 57 6.967 14.236 -37.571 530 HB3 HIS 57 HB1 HIS 57 8.664 14.683 -37.483 531 HD1 HIS 57 HD1 HIS 57 9.961 14.870 -39.673 532 HD2 HIS 57 HD2 HIS 57 6.118 13.363 -40.171 533 HE1 HIS 57 HE1 HIS 57 9.541 14.894 -42.154 534 HE2 HIS 57 HE2 HIS 57 7.161 14.111 -42.412 535 H VAL 58 HN VAL 58 7.004 11.367 -35.369 536 HA VAL 58 HA VAL 58 8.172 12.787 -33.159 537 HB VAL 58 HB VAL 58 5.887 11.543 -33.125 538 HG11 VAL 58 HG11 VAL 58 6.642 9.322 -33.907 539 HG12 VAL 58 HG12 VAL 58 5.816 9.224 -32.352 540 HG13 VAL 58 HG13 VAL 58 7.577 9.122 -32.425 541 HG21 VAL 58 HG21 VAL 58 6.858 12.598 -31.132 542 HG22 VAL 58 HG22 VAL 58 7.754 11.121 -30.772 543 HG23 VAL 58 HG23 VAL 58 5.987 11.122 -30.709 544 H ASN 59 HN ASN 59 10.114 12.360 -32.113 545 HA ASN 59 HA ASN 59 11.684 10.044 -33.051 546 HB2 ASN 59 HB2 ASN 59 12.581 12.395 -31.323 547 HB3 ASN 59 HB1 ASN 59 13.628 11.179 -32.044 548 HD21 ASN 59 HD21 ASN 59 14.007 11.246 -34.300 549 HD22 ASN 59 HD22 ASN 59 13.677 12.659 -35.236 550 H VAL 60 HN VAL 60 11.127 8.264 -31.906 551 HA VAL 60 HA VAL 60 10.917 8.464 -28.947 552 HB VAL 60 HB VAL 60 9.357 6.396 -29.176 553 HG11 VAL 60 HG11 VAL 60 8.575 8.628 -28.388 554 HG12 VAL 60 HG12 VAL 60 7.336 7.829 -29.360 555 HG13 VAL 60 HG13 VAL 60 8.305 9.128 -30.063 556 HG21 VAL 60 HG21 VAL 60 8.007 6.254 -31.238 557 HG22 VAL 60 HG22 VAL 60 9.710 5.957 -31.585 558 HG23 VAL 60 HG23 VAL 60 8.990 7.518 -31.987 559 H LEU 61 HN LEU 61 12.038 7.028 -27.787 560 HA LEU 61 HA LEU 61 13.883 5.240 -29.234 561 HB2 LEU 61 HB2 LEU 61 14.560 7.220 -27.030 562 HB3 LEU 61 HB1 LEU 61 15.641 5.936 -27.536 563 HG LEU 61 HG LEU 61 15.598 7.005 -29.850 564 HD11 LEU 61 HD11 LEU 61 14.290 9.272 -28.420 565 HD12 LEU 61 HD12 LEU 61 13.712 8.390 -29.831 566 HD13 LEU 61 HD13 LEU 61 15.122 9.430 -29.967 567 HD21 LEU 61 HD21 LEU 61 17.547 7.208 -28.357 568 HD22 LEU 61 HD22 LEU 61 16.831 8.645 -27.623 569 HD23 LEU 61 HD23 LEU 61 17.322 8.669 -29.319 570 H LYS 62 HN LYS 62 14.284 3.342 -28.324 571 HA LYS 62 HA LYS 62 13.381 2.683 -25.606 572 HB2 LYS 62 HB2 LYS 62 12.336 1.259 -27.292 573 HB3 LYS 62 HB1 LYS 62 13.877 0.966 -28.079 574 HG2 LYS 62 HG2 LYS 62 13.354 -1.012 -26.914 575 HG3 LYS 62 HG1 LYS 62 14.626 -0.220 -25.985 576 HD2 LYS 62 HD2 LYS 62 12.622 0.770 -24.596 577 HD3 LYS 62 HD1 LYS 62 11.690 -0.541 -25.338 578 HE2 LYS 62 HE2 LYS 62 14.125 -0.768 -23.552 579 HE3 LYS 62 HE1 LYS 62 12.491 -1.312 -23.219 580 HZ1 LYS 62 HZ1 LYS 62 13.958 -3.135 -23.752 581 HZ2 LYS 62 HZ2 LYS 62 14.295 -2.457 -25.268 582 HZ3 LYS 62 HZ3 LYS 62 12.738 -2.996 -24.918 583 H ASN 63 HN ASN 63 15.121 3.139 -24.341 584 HA ASN 63 HA ASN 63 17.169 3.084 -23.362 585 HB2 ASN 63 HB2 ASN 63 17.360 0.478 -24.944 586 HB3 ASN 63 HB1 ASN 63 18.506 0.958 -23.696 587 HD21 ASN 63 HD21 ASN 63 17.918 -1.036 -22.623 588 HD22 ASN 63 HD22 ASN 63 16.476 -1.121 -21.675 589 H GLY 64 HN GLY 64 16.937 4.665 -25.700 590 HA2 GLY 64 HA2 GLY 64 18.472 6.121 -26.715 591 HA3 GLY 64 HA1 GLY 64 19.751 4.944 -26.482 592 H ARG 65 HN ARG 65 17.653 2.936 -27.770 593 HA ARG 65 HA ARG 65 18.456 3.390 -30.551 594 HB2 ARG 65 HB2 ARG 65 18.661 1.107 -29.713 595 HB3 ARG 65 HB1 ARG 65 16.971 1.077 -29.227 596 HG2 ARG 65 HG2 ARG 65 17.269 -0.208 -31.281 597 HG3 ARG 65 HG1 ARG 65 16.283 1.215 -31.610 598 HD2 ARG 65 HD2 ARG 65 17.863 0.924 -33.423 599 HD3 ARG 65 HD1 ARG 65 18.323 2.363 -32.506 600 HE ARG 65 HE ARG 65 19.652 -0.094 -31.712 601 HH11 ARG 65 HH11 ARG 65 19.888 2.790 -33.693 602 HH12 ARG 65 HH12 ARG 65 21.592 2.618 -33.938 603 HH21 ARG 65 HH21 ARG 65 21.863 -0.301 -32.034 604 HH22 ARG 65 HH22 ARG 65 22.715 0.867 -32.994 605 H GLU 66 HN GLU 66 17.218 4.826 -31.635 606 HA GLU 66 HA GLU 66 14.578 5.556 -30.947 607 HB2 GLU 66 HB2 GLU 66 16.418 6.877 -32.270 608 HB3 GLU 66 HB1 GLU 66 15.762 6.076 -33.686 609 HG2 GLU 66 HG2 GLU 66 13.485 7.072 -32.978 610 HG3 GLU 66 HG1 GLU 66 14.395 8.049 -31.845 611 H VAL 67 HN VAL 67 12.894 4.219 -31.137 612 HA VAL 67 HA VAL 67 12.916 1.871 -32.725 613 HB VAL 67 HB VAL 67 10.618 1.454 -31.842 614 HG11 VAL 67 HG11 VAL 67 11.302 1.147 -29.484 615 HG12 VAL 67 HG12 VAL 67 12.715 2.178 -29.762 616 HG13 VAL 67 HG13 VAL 67 12.563 0.637 -30.613 617 HG21 VAL 67 HG21 VAL 67 11.015 4.094 -30.361 618 HG22 VAL 67 HG22 VAL 67 9.694 2.949 -30.095 619 HG23 VAL 67 HG23 VAL 67 9.832 3.792 -31.638 620 H VAL 68 HN VAL 68 12.177 4.953 -33.791 621 HA VAL 68 HA VAL 68 9.996 4.372 -35.558 622 HB VAL 68 HB VAL 68 10.425 6.455 -36.658 623 HG11 VAL 68 HG11 VAL 68 11.168 6.791 -33.729 624 HG12 VAL 68 HG12 VAL 68 9.531 6.680 -34.383 625 HG13 VAL 68 HG13 VAL 68 10.549 8.062 -34.790 626 HG21 VAL 68 HG21 VAL 68 13.212 6.493 -35.418 627 HG22 VAL 68 HG22 VAL 68 12.495 7.805 -36.356 628 HG23 VAL 68 HG23 VAL 68 12.830 6.255 -37.128 629 H HIS 69 HN HIS 69 13.385 3.652 -35.630 630 HA HIS 69 HA HIS 69 13.575 3.178 -38.505 631 HB2 HIS 69 HB2 HIS 69 15.600 2.419 -36.346 632 HB3 HIS 69 HB1 HIS 69 15.904 2.602 -38.075 633 HD1 HIS 69 HD1 HIS 69 15.246 5.291 -38.865 634 HD2 HIS 69 HD2 HIS 69 16.490 4.562 -34.967 635 HE1 HIS 69 HE1 HIS 69 15.962 7.523 -37.954 636 HE2 HIS 69 HE2 HIS 69 16.561 7.086 -35.555 637 H LEU 70 HN LEU 70 12.419 1.485 -35.823 638 HA LEU 70 HA LEU 70 12.311 -1.078 -37.237 639 HB2 LEU 70 HB2 LEU 70 12.852 -2.307 -35.112 640 HB3 LEU 70 HB1 LEU 70 14.211 -1.469 -35.830 641 HG LEU 70 HG LEU 70 12.680 -0.153 -33.555 642 HD11 LEU 70 HD11 LEU 70 13.227 -2.399 -32.734 643 HD12 LEU 70 HD12 LEU 70 14.185 -1.169 -31.916 644 HD13 LEU 70 HD13 LEU 70 14.920 -2.165 -33.177 645 HD21 LEU 70 HD21 LEU 70 14.844 0.920 -33.101 646 HD22 LEU 70 HD22 LEU 70 14.339 1.212 -34.763 647 HD23 LEU 70 HD23 LEU 70 15.592 0.014 -34.422 648 H ASP 71 HN ASP 71 11.049 -2.431 -34.937 649 HA ASP 71 HA ASP 71 8.366 -1.619 -35.117 650 HB2 ASP 71 HB2 ASP 71 9.838 -3.299 -33.063 651 HB3 ASP 71 HB1 ASP 71 8.115 -2.985 -32.921 652 H GLY 72 HN GLY 72 7.705 0.398 -34.539 653 HA2 GLY 72 HA2 GLY 72 8.805 1.922 -32.378 654 HA3 GLY 72 HA1 GLY 72 7.390 2.334 -33.318 655 H MET 73 HN MET 73 5.785 0.151 -32.871 656 HA MET 73 HA MET 73 4.683 0.977 -30.324 657 HB2 MET 73 HB2 MET 73 3.579 -0.939 -32.421 658 HB3 MET 73 HB1 MET 73 2.685 -0.308 -31.037 659 HG2 MET 73 HG2 MET 73 3.774 1.308 -33.368 660 HG3 MET 73 HG1 MET 73 2.084 0.907 -33.063 661 HE1 MET 73 HE1 MET 73 0.507 2.289 -31.509 662 HE2 MET 73 HE2 MET 73 1.087 3.252 -30.152 663 HE3 MET 73 HE3 MET 73 1.336 1.506 -30.163 664 H ALA 74 HN ALA 74 6.142 -2.028 -31.616 665 HA ALA 74 HA ALA 74 6.225 -3.134 -28.875 666 HB1 ALA 74 HB1 ALA 74 5.290 -5.297 -29.571 667 HB2 ALA 74 HB2 ALA 74 5.029 -4.684 -31.206 668 HB3 ALA 74 HB3 ALA 74 4.124 -4.003 -29.852 669 H THR 75 HN THR 75 8.486 -2.491 -29.241 670 HA THR 75 HA THR 75 10.079 -4.014 -31.111 671 HB THR 75 HB THR 75 10.849 -1.788 -30.818 672 HG1 THR 75 HG1 THR 75 12.508 -3.409 -30.912 673 HG21 THR 75 HG21 THR 75 9.866 -1.260 -28.605 674 HG22 THR 75 HG22 THR 75 11.567 -0.795 -28.687 675 HG23 THR 75 HG23 THR 75 11.097 -2.259 -27.822 676 H ALA 76 HN ALA 76 10.227 -3.820 -27.480 677 HA ALA 76 HA ALA 76 10.909 -6.469 -26.958 678 HB1 ALA 76 HB1 ALA 76 13.393 -6.361 -26.801 679 HB2 ALA 76 HB2 ALA 76 13.358 -4.731 -27.481 680 HB3 ALA 76 HB3 ALA 76 12.833 -6.103 -28.456 681 H LEU 77 HN LEU 77 9.457 -4.399 -25.650 682 HA LEU 77 HA LEU 77 11.050 -2.953 -23.742 683 HB2 LEU 77 HB2 LEU 77 8.979 -2.038 -24.770 684 HB3 LEU 77 HB1 LEU 77 8.035 -3.255 -23.927 685 HG LEU 77 HG LEU 77 8.673 -2.255 -21.742 686 HD11 LEU 77 HD11 LEU 77 10.864 -1.347 -22.306 687 HD12 LEU 77 HD12 LEU 77 9.825 -0.084 -21.647 688 HD13 LEU 77 HD13 LEU 77 10.116 -0.162 -23.390 689 HD21 LEU 77 HD21 LEU 77 7.363 -0.195 -21.914 690 HD22 LEU 77 HD22 LEU 77 6.614 -1.486 -22.843 691 HD23 LEU 77 HD23 LEU 77 7.522 -0.217 -23.670 692 H ASP 78 HN ASP 78 11.123 -3.205 -21.456 693 HA ASP 78 HA ASP 78 10.125 -5.599 -20.133 694 HB2 ASP 78 HB2 ASP 78 12.081 -6.374 -21.550 695 HB3 ASP 78 HB1 ASP 78 13.112 -5.247 -20.678 696 H ASP 79 HN ASP 79 11.395 -5.655 -17.770 697 HA ASP 79 HA ASP 79 10.724 -3.087 -16.641 698 HB2 ASP 79 HB2 ASP 79 10.941 -4.058 -14.479 699 HB3 ASP 79 HB1 ASP 79 10.214 -5.284 -15.502 700 H GLY 80 HN GLY 80 11.995 -1.647 -15.558 701 HA2 GLY 80 HA2 GLY 80 13.845 -0.406 -15.009 702 HA3 GLY 80 HA1 GLY 80 14.847 -1.821 -15.292 703 H ASP 81 HN ASP 81 12.968 -1.327 -17.999 704 HA ASP 81 HA ASP 81 15.204 -0.285 -19.540 705 HB2 ASP 81 HB2 ASP 81 12.549 -1.538 -20.295 706 HB3 ASP 81 HB1 ASP 81 13.587 -0.783 -21.492 707 H ALA 82 HN ALA 82 15.246 1.623 -20.601 708 HA ALA 82 HA ALA 82 13.417 3.675 -19.544 709 HB1 ALA 82 HB1 ALA 82 15.262 5.243 -19.966 710 HB2 ALA 82 HB2 ALA 82 16.234 3.942 -20.664 711 HB3 ALA 82 HB3 ALA 82 15.784 3.895 -18.957 712 H VAL 83 HN VAL 83 11.775 4.051 -21.018 713 HA VAL 83 HA VAL 83 12.300 4.191 -23.904 714 HB VAL 83 HB VAL 83 9.685 4.803 -22.439 715 HG11 VAL 83 HG11 VAL 83 8.614 4.452 -24.646 716 HG12 VAL 83 HG12 VAL 83 10.200 4.204 -25.381 717 HG13 VAL 83 HG13 VAL 83 9.780 5.778 -24.703 718 HG21 VAL 83 HG21 VAL 83 10.570 2.179 -23.700 719 HG22 VAL 83 HG22 VAL 83 8.956 2.520 -23.071 720 HG23 VAL 83 HG23 VAL 83 10.338 2.485 -21.974 721 H SER 84 HN SER 84 13.312 6.001 -24.545 722 HA SER 84 HA SER 84 12.874 8.609 -23.227 723 HB2 SER 84 HB2 SER 84 14.955 7.602 -25.226 724 HB3 SER 84 HB1 SER 84 14.919 9.235 -24.580 725 HG SER 84 HG SER 84 14.867 7.098 -22.775 726 H VAL 85 HN VAL 85 11.106 9.678 -24.136 727 HA VAL 85 HA VAL 85 10.707 9.525 -27.051 728 HB VAL 85 HB VAL 85 8.372 10.058 -26.722 729 HG11 VAL 85 HG11 VAL 85 7.589 8.076 -25.469 730 HG12 VAL 85 HG12 VAL 85 9.194 7.884 -24.752 731 HG13 VAL 85 HG13 VAL 85 8.973 7.683 -26.492 732 HG21 VAL 85 HG21 VAL 85 7.352 10.356 -24.479 733 HG22 VAL 85 HG22 VAL 85 8.507 11.636 -24.857 734 HG23 VAL 85 HG23 VAL 85 8.961 10.333 -23.749 735 H PHE 86 HN PHE 86 10.534 11.273 -28.247 736 HA PHE 86 HA PHE 86 10.832 14.014 -27.168 737 HB2 PHE 86 HB2 PHE 86 12.148 12.979 -29.742 738 HB3 PHE 86 HB1 PHE 86 12.294 14.593 -29.072 739 HD1 PHE 86 HD2 PHE 86 13.015 11.017 -28.083 740 HD2 PHE 86 HD1 PHE 86 14.346 15.091 -28.018 741 HE1 PHE 86 HE2 PHE 86 15.115 10.334 -27.009 742 HE2 PHE 86 HE1 PHE 86 16.455 14.368 -26.967 743 HZ PHE 86 HZ PHE 86 16.833 11.984 -26.471 744 HA PRO 87 HA PRO 87 7.108 14.385 -29.801 745 HB2 PRO 87 HB2 PRO 87 7.026 17.149 -29.986 746 HB3 PRO 87 HB1 PRO 87 6.493 16.248 -28.560 747 HG2 PRO 87 HG2 PRO 87 9.143 17.572 -29.083 748 HG3 PRO 87 HG1 PRO 87 8.126 17.632 -27.628 749 HD2 PRO 87 HD2 PRO 87 10.253 16.015 -27.731 750 HD3 PRO 87 HD1 PRO 87 8.756 15.497 -26.921 751 HA PRO 88 HA PRO 88 8.671 15.286 -33.984 752 HB2 PRO 88 HB2 PRO 88 6.407 16.102 -35.271 753 HB3 PRO 88 HB1 PRO 88 6.659 14.415 -34.788 754 HG2 PRO 88 HG2 PRO 88 5.039 16.549 -33.404 755 HG3 PRO 88 HG1 PRO 88 4.601 14.861 -33.749 756 HD2 PRO 88 HD2 PRO 88 5.549 15.677 -31.307 757 HD3 PRO 88 HD1 PRO 88 5.839 14.042 -31.947 758 H VAL 89 HN VAL 89 9.783 17.072 -34.646 759 HA VAL 89 HA VAL 89 9.372 19.578 -33.218 760 HB VAL 89 HB VAL 89 11.588 20.253 -34.019 761 HG11 VAL 89 HG11 VAL 89 12.961 18.515 -32.921 762 HG12 VAL 89 HG12 VAL 89 11.609 17.382 -33.007 763 HG13 VAL 89 HG13 VAL 89 11.481 18.833 -32.010 764 HG21 VAL 89 HG21 VAL 89 11.541 19.306 -36.300 765 HG22 VAL 89 HG22 VAL 89 11.643 17.672 -35.642 766 HG23 VAL 89 HG23 VAL 89 12.996 18.788 -35.443 767 H ALA 90 HN ALA 90 8.458 18.322 -36.209 768 HA ALA 90 HA ALA 90 7.289 20.858 -36.980 769 HB1 ALA 90 HB1 ALA 90 8.148 20.855 -39.284 770 HB2 ALA 90 HB2 ALA 90 9.149 19.442 -38.928 771 HB3 ALA 90 HB3 ALA 90 9.474 20.979 -38.126 772 H GLY 91 HN GLY 91 5.689 20.633 -38.652 773 HA2 GLY 91 HA2 GLY 91 4.583 17.888 -38.981 774 HA3 GLY 91 HA1 GLY 91 3.599 19.337 -38.800 775 H GLY 92 HN GLY 92 4.761 21.126 -40.458 776 HA2 GLY 92 HA2 GLY 92 5.797 20.600 -42.887 777 HA3 GLY 92 HA1 GLY 92 4.103 20.178 -43.126 Start of MODEL 7 1 H1 GLY -13 HT1 GLY -13 -0.466 -19.452 -18.793 2 H2 GLY -13 HT2 GLY -13 -0.096 -18.989 -20.375 3 H3 GLY -13 HT3 GLY -13 -1.626 -19.617 -20.012 4 HA2 GLY -13 HA1 GLY -13 -1.735 -17.233 -20.284 5 HA3 GLY -13 HA2 GLY -13 -2.133 -17.715 -18.641 6 H GLY -12 HN GLY -12 -0.372 -17.597 -17.019 7 HA2 GLY -12 HA2 GLY -12 1.905 -16.717 -16.537 8 HA3 GLY -12 HA1 GLY -12 1.494 -15.336 -17.548 9 H GLY -11 HN GLY -11 1.712 -13.772 -15.966 10 HA2 GLY -11 HA2 GLY -11 -0.314 -13.788 -13.791 11 HA3 GLY -11 HA1 GLY -11 1.362 -13.351 -13.479 12 H ARG -10 HN ARG -10 -1.673 -12.194 -14.385 13 HA ARG -10 HA ARG -10 -0.576 -9.514 -15.045 14 HB2 ARG -10 HB2 ARG -10 -3.220 -10.706 -15.999 15 HB3 ARG -10 HB1 ARG -10 -2.662 -9.062 -16.304 16 HG2 ARG -10 HG2 ARG -10 -0.802 -9.946 -17.670 17 HG3 ARG -10 HG1 ARG -10 -1.363 -11.597 -17.363 18 HD2 ARG -10 HD2 ARG -10 -3.531 -11.035 -18.441 19 HD3 ARG -10 HD1 ARG -10 -2.923 -9.409 -18.792 20 HE ARG -10 HE ARG -10 -1.801 -11.917 -19.906 21 HH11 ARG -10 HH11 ARG -10 -2.451 -8.476 -20.255 22 HH12 ARG -10 HH12 ARG -10 -1.953 -8.434 -21.913 23 HH21 ARG -10 HH21 ARG -10 -1.181 -11.846 -22.072 24 HH22 ARG -10 HH22 ARG -10 -1.219 -10.344 -22.940 25 H ASP -9 HN ASP -9 -0.791 -8.340 -13.259 26 HA ASP -9 HA ASP -9 -3.433 -7.824 -12.186 27 HB2 ASP -9 HB2 ASP -9 -2.270 -9.763 -10.792 28 HB3 ASP -9 HB1 ASP -9 -1.265 -8.473 -10.146 29 H TYR -8 HN TYR -8 -3.414 -5.728 -12.633 30 HA TYR -8 HA TYR -8 -0.963 -4.393 -13.316 31 HB2 TYR -8 HB2 TYR -8 -3.884 -3.573 -13.494 32 HB3 TYR -8 HB1 TYR -8 -2.561 -2.574 -14.088 33 HD1 TYR -8 HD2 TYR -8 -3.492 -6.241 -14.413 34 HD2 TYR -8 HD1 TYR -8 -2.377 -2.641 -16.432 35 HE1 TYR -8 HE2 TYR -8 -3.572 -7.420 -16.573 36 HE2 TYR -8 HE1 TYR -8 -2.455 -3.827 -18.580 37 HH TYR -8 HH TYR -8 -2.319 -6.080 -19.466 38 H LYS -7 HN LYS -7 -2.331 -4.690 -10.380 39 HA LYS -7 HA LYS -7 -1.004 -2.246 -9.381 40 HB2 LYS -7 HB2 LYS -7 -2.579 -2.901 -7.250 41 HB3 LYS -7 HB1 LYS -7 -3.066 -1.778 -8.502 42 HG2 LYS -7 HG2 LYS -7 -4.931 -3.207 -8.071 43 HG3 LYS -7 HG1 LYS -7 -4.287 -3.645 -9.651 44 HD2 LYS -7 HD2 LYS -7 -4.907 -5.652 -8.431 45 HD3 LYS -7 HD1 LYS -7 -3.158 -5.606 -8.644 46 HE2 LYS -7 HE2 LYS -7 -2.877 -4.858 -6.320 47 HE3 LYS -7 HE1 LYS -7 -4.630 -4.823 -6.103 48 HZ1 LYS -7 HZ1 LYS -7 -3.680 -6.832 -5.194 49 HZ2 LYS -7 HZ2 LYS -7 -2.993 -7.227 -6.691 50 HZ3 LYS -7 HZ3 LYS -7 -4.670 -7.211 -6.510 51 H ASP -6 HN ASP -6 0.656 -2.559 -7.972 52 HA ASP -6 HA ASP -6 1.800 -5.182 -7.812 53 HB2 ASP -6 HB2 ASP -6 3.173 -3.110 -8.107 54 HB3 ASP -6 HB1 ASP -6 2.752 -2.612 -6.475 55 H ASP -5 HN ASP -5 0.601 -6.515 -6.554 56 HA ASP -5 HA ASP -5 0.903 -6.162 -3.636 57 HB2 ASP -5 HB2 ASP -5 -1.512 -5.709 -4.394 58 HB3 ASP -5 HB1 ASP -5 -1.588 -7.381 -4.931 59 H ASP -4 HN ASP -4 2.436 -7.407 -5.720 60 HA ASP -4 HA ASP -4 3.651 -9.172 -6.269 61 HB2 ASP -4 HB2 ASP -4 4.009 -9.423 -3.815 62 HB3 ASP -4 HB1 ASP -4 2.648 -10.545 -3.747 63 H ASP -3 HN ASP -3 3.622 -11.356 -7.223 64 HA ASP -3 HA ASP -3 2.814 -12.592 -8.937 65 HB2 ASP -3 HB2 ASP -3 0.223 -12.659 -7.322 66 HB3 ASP -3 HB1 ASP -3 0.576 -13.686 -8.710 67 H LYS -2 HN LYS -2 2.873 -9.907 -9.221 68 HA LYS -2 HA LYS -2 0.449 -8.878 -10.458 69 HB2 LYS -2 HB2 LYS -2 1.748 -6.747 -10.717 70 HB3 LYS -2 HB1 LYS -2 1.612 -7.287 -9.053 71 HG2 LYS -2 HG2 LYS -2 4.106 -7.924 -10.638 72 HG3 LYS -2 HG1 LYS -2 3.882 -6.311 -9.958 73 HD2 LYS -2 HD2 LYS -2 3.783 -7.199 -7.708 74 HD3 LYS -2 HD1 LYS -2 3.765 -8.855 -8.297 75 HE2 LYS -2 HE2 LYS -2 6.071 -8.526 -9.203 76 HE3 LYS -2 HE1 LYS -2 6.075 -6.900 -8.509 77 HZ1 LYS -2 HZ1 LYS -2 5.798 -7.894 -6.310 78 HZ2 LYS -2 HZ2 LYS -2 7.195 -8.474 -7.058 79 HZ3 LYS -2 HZ3 LYS -2 5.817 -9.447 -6.979 80 H GLY -1 HN GLY -1 3.727 -9.866 -11.356 81 HA2 GLY -1 HA2 GLY -1 4.767 -10.265 -13.353 82 HA3 GLY -1 HA1 GLY -1 3.170 -10.647 -13.983 83 H THR 0 HN THR 0 4.205 -7.562 -12.689 84 HA THR 0 HA THR 0 3.800 -6.279 -15.325 85 HB THR 0 HB THR 0 3.241 -4.218 -13.981 86 HG1 THR 0 HG1 THR 0 2.592 -4.856 -11.695 87 HG21 THR 0 HG21 THR 0 0.977 -4.934 -13.278 88 HG22 THR 0 HG22 THR 0 1.469 -6.623 -13.390 89 HG23 THR 0 HG23 THR 0 1.405 -5.631 -14.847 90 H MET 1 HN MET 1 5.308 -4.826 -16.027 91 HA MET 1 HA MET 1 7.951 -4.944 -14.737 92 HB2 MET 1 HB2 MET 1 8.853 -4.481 -16.997 93 HB3 MET 1 HB1 MET 1 7.866 -5.930 -16.968 94 HG2 MET 1 HG2 MET 1 6.034 -4.753 -18.047 95 HG3 MET 1 HG1 MET 1 6.941 -3.237 -17.985 96 HE1 MET 1 HE1 MET 1 6.607 -2.832 -20.534 97 HE2 MET 1 HE2 MET 1 5.680 -4.328 -20.698 98 HE3 MET 1 HE3 MET 1 7.024 -3.997 -21.792 99 H GLU 2 HN GLU 2 8.936 -3.141 -14.052 100 HA GLU 2 HA GLU 2 7.573 -0.559 -14.222 101 HB2 GLU 2 HB2 GLU 2 8.550 -1.387 -12.057 102 HB3 GLU 2 HB1 GLU 2 10.154 -1.304 -12.771 103 HG2 GLU 2 HG2 GLU 2 9.783 1.168 -13.119 104 HG3 GLU 2 HG1 GLU 2 8.278 1.013 -12.219 105 H LEU 3 HN LEU 3 8.393 1.221 -15.385 106 HA LEU 3 HA LEU 3 10.672 0.708 -17.219 107 HB2 LEU 3 HB2 LEU 3 8.036 2.028 -17.992 108 HB3 LEU 3 HB1 LEU 3 9.368 1.598 -19.061 109 HG LEU 3 HG LEU 3 7.706 -0.461 -17.562 110 HD11 LEU 3 HD11 LEU 3 7.374 0.526 -20.405 111 HD12 LEU 3 HD12 LEU 3 6.238 0.737 -19.070 112 HD13 LEU 3 HD13 LEU 3 6.557 -0.875 -19.704 113 HD21 LEU 3 HD21 LEU 3 8.670 -2.048 -19.183 114 HD22 LEU 3 HD22 LEU 3 9.912 -1.283 -18.199 115 HD23 LEU 3 HD23 LEU 3 9.661 -0.757 -19.867 116 H GLU 4 HN GLU 4 12.032 2.453 -17.520 117 HA GLU 4 HA GLU 4 11.520 4.925 -16.022 118 HB2 GLU 4 HB2 GLU 4 13.744 3.854 -15.837 119 HB3 GLU 4 HB1 GLU 4 13.966 3.984 -17.576 120 HG2 GLU 4 HG2 GLU 4 13.941 6.468 -17.372 121 HG3 GLU 4 HG1 GLU 4 13.777 6.298 -15.621 122 H LEU 5 HN LEU 5 10.021 6.109 -17.183 123 HA LEU 5 HA LEU 5 10.318 6.393 -20.090 124 HB2 LEU 5 HB2 LEU 5 8.100 7.480 -18.343 125 HB3 LEU 5 HB1 LEU 5 8.101 7.316 -20.094 126 HG LEU 5 HG LEU 5 8.012 5.059 -18.058 127 HD11 LEU 5 HD11 LEU 5 5.919 6.279 -18.282 128 HD12 LEU 5 HD12 LEU 5 5.774 4.659 -18.954 129 HD13 LEU 5 HD13 LEU 5 5.941 6.047 -20.033 130 HD21 LEU 5 HD21 LEU 5 7.761 3.520 -19.979 131 HD22 LEU 5 HD22 LEU 5 9.333 4.312 -19.982 132 HD23 LEU 5 HD23 LEU 5 8.075 4.852 -21.096 133 H ARG 6 HN ARG 6 11.740 7.858 -20.612 134 HA ARG 6 HA ARG 6 12.130 10.276 -19.010 135 HB2 ARG 6 HB2 ARG 6 13.830 9.484 -21.393 136 HB3 ARG 6 HB1 ARG 6 14.278 10.436 -19.976 137 HG2 ARG 6 HG2 ARG 6 13.883 8.179 -18.676 138 HG3 ARG 6 HG1 ARG 6 14.031 7.436 -20.269 139 HD2 ARG 6 HD2 ARG 6 16.191 7.351 -19.243 140 HD3 ARG 6 HD1 ARG 6 16.273 8.609 -20.484 141 HE ARG 6 HE ARG 6 15.731 10.160 -18.488 142 HH11 ARG 6 HH11 ARG 6 17.811 7.354 -18.290 143 HH12 ARG 6 HH12 ARG 6 18.702 7.965 -16.937 144 HH21 ARG 6 HH21 ARG 6 16.852 10.925 -16.690 145 HH22 ARG 6 HH22 ARG 6 18.158 9.991 -16.029 146 H PHE 7 HN PHE 7 11.061 12.036 -19.605 147 HA PHE 7 HA PHE 7 10.070 12.393 -22.377 148 HB2 PHE 7 HB2 PHE 7 9.185 13.670 -19.747 149 HB3 PHE 7 HB1 PHE 7 8.533 14.088 -21.331 150 HD1 PHE 7 HD2 PHE 7 8.733 11.418 -18.776 151 HD2 PHE 7 HD1 PHE 7 6.951 12.645 -22.460 152 HE1 PHE 7 HE2 PHE 7 7.110 9.581 -18.620 153 HE2 PHE 7 HE1 PHE 7 5.318 10.807 -22.279 154 HZ PHE 7 HZ PHE 7 5.407 9.268 -20.360 155 H PHE 8 HN PHE 8 10.623 14.164 -23.553 156 HA PHE 8 HA PHE 8 12.409 16.202 -22.372 157 HB2 PHE 8 HB2 PHE 8 12.945 14.819 -25.040 158 HB3 PHE 8 HB1 PHE 8 13.932 16.080 -24.299 159 HD1 PHE 8 HD1 PHE 8 14.999 15.557 -21.987 160 HD2 PHE 8 HD2 PHE 8 13.386 12.549 -24.554 161 HE1 PHE 8 HE1 PHE 8 16.218 13.829 -20.731 162 HE2 PHE 8 HE2 PHE 8 14.613 10.842 -23.310 163 HZ PHE 8 HZ PHE 8 16.024 11.464 -21.380 164 H ALA 9 HN ALA 9 12.535 18.155 -23.596 165 HA ALA 9 HA ALA 9 11.703 19.956 -24.636 166 HB1 ALA 9 HB1 ALA 9 10.745 19.640 -26.881 167 HB2 ALA 9 HB2 ALA 9 10.583 17.916 -26.559 168 HB3 ALA 9 HB3 ALA 9 12.184 18.651 -26.632 169 H THR 10 HN THR 10 8.837 19.466 -26.149 170 HA THR 10 HA THR 10 7.199 20.649 -24.213 171 HB THR 10 HB THR 10 6.419 19.047 -26.681 172 HG1 THR 10 HG1 THR 10 7.276 21.640 -26.225 173 HG21 THR 10 HG21 THR 10 4.691 20.910 -25.004 174 HG22 THR 10 HG22 THR 10 4.463 19.168 -25.207 175 HG23 THR 10 HG23 THR 10 4.245 20.253 -26.579 176 H PHE 11 HN PHE 11 7.422 17.191 -25.178 177 HA PHE 11 HA PHE 11 5.346 16.173 -23.581 178 HB2 PHE 11 HB2 PHE 11 7.885 14.875 -24.642 179 HB3 PHE 11 HB1 PHE 11 6.717 13.962 -23.698 180 HD1 PHE 11 HD1 PHE 11 4.854 16.262 -25.660 181 HD2 PHE 11 HD2 PHE 11 7.072 12.615 -25.985 182 HE1 PHE 11 HE1 PHE 11 3.616 15.665 -27.706 183 HE2 PHE 11 HE2 PHE 11 5.822 12.044 -28.031 184 HZ PHE 11 HZ PHE 11 4.089 13.558 -28.880 185 H ARG 12 HN ARG 12 8.551 17.213 -22.678 186 HA ARG 12 HA ARG 12 8.806 15.862 -20.183 187 HB2 ARG 12 HB2 ARG 12 10.654 16.908 -21.549 188 HB3 ARG 12 HB1 ARG 12 10.115 18.467 -21.003 189 HG2 ARG 12 HG2 ARG 12 10.701 16.529 -18.834 190 HG3 ARG 12 HG1 ARG 12 12.087 16.946 -19.825 191 HD2 ARG 12 HD2 ARG 12 12.186 18.464 -18.043 192 HD3 ARG 12 HD1 ARG 12 11.453 19.408 -19.342 193 HE ARG 12 HE ARG 12 9.553 18.127 -17.583 194 HH11 ARG 12 HH11 ARG 12 11.453 21.047 -18.071 195 HH12 ARG 12 HH12 ARG 12 10.471 22.004 -17.013 196 HH21 ARG 12 HH21 ARG 12 8.280 19.412 -16.220 197 HH22 ARG 12 HH22 ARG 12 8.658 21.084 -15.990 198 H GLU 13 HN GLU 13 7.889 19.206 -21.019 199 HA GLU 13 HA GLU 13 7.308 19.912 -18.296 200 HB2 GLU 13 HB2 GLU 13 6.606 22.115 -19.251 201 HB3 GLU 13 HB1 GLU 13 8.226 21.614 -19.699 202 HG2 GLU 13 HG2 GLU 13 7.426 22.498 -21.679 203 HG3 GLU 13 HG1 GLU 13 7.133 20.779 -21.909 204 H VAL 14 HN VAL 14 5.403 18.664 -20.931 205 HA VAL 14 HA VAL 14 2.796 19.017 -19.946 206 HB VAL 14 HB VAL 14 4.031 16.702 -21.496 207 HG11 VAL 14 HG11 VAL 14 2.130 15.801 -20.262 208 HG12 VAL 14 HG12 VAL 14 1.729 15.920 -21.973 209 HG13 VAL 14 HG13 VAL 14 1.093 17.112 -20.836 210 HG21 VAL 14 HG21 VAL 14 2.814 17.643 -23.430 211 HG22 VAL 14 HG22 VAL 14 3.904 18.840 -22.731 212 HG23 VAL 14 HG23 VAL 14 2.172 18.938 -22.411 213 H VAL 15 HN VAL 15 5.085 16.370 -19.357 214 HA VAL 15 HA VAL 15 3.488 15.111 -17.318 215 HB VAL 15 HB VAL 15 6.359 14.626 -18.241 216 HG11 VAL 15 HG11 VAL 15 6.128 13.778 -15.941 217 HG12 VAL 15 HG12 VAL 15 6.234 12.433 -17.079 218 HG13 VAL 15 HG13 VAL 15 4.670 12.891 -16.394 219 HG21 VAL 15 HG21 VAL 15 5.385 12.685 -19.428 220 HG22 VAL 15 HG22 VAL 15 4.641 14.193 -19.962 221 HG23 VAL 15 HG23 VAL 15 3.777 13.128 -18.849 222 H GLY 16 HN GLY 16 5.785 17.654 -17.407 223 HA2 GLY 16 HA2 GLY 16 6.615 19.072 -15.807 224 HA3 GLY 16 HA1 GLY 16 5.618 18.254 -14.612 225 H GLN 17 HN GLN 17 7.610 16.157 -16.424 226 HA GLN 17 HA GLN 17 9.831 16.128 -14.497 227 HB2 GLN 17 HB2 GLN 17 8.465 13.485 -15.148 228 HB3 GLN 17 HB1 GLN 17 9.588 13.857 -13.846 229 HG2 GLN 17 HG2 GLN 17 7.662 15.290 -12.861 230 HG3 GLN 17 HG1 GLN 17 6.635 14.488 -14.035 231 HE21 GLN 17 HE21 GLN 17 5.379 13.488 -12.446 232 HE22 GLN 17 HE22 GLN 17 5.962 12.178 -11.485 233 H LYS 18 HN LYS 18 11.748 15.204 -15.407 234 HA LYS 18 HA LYS 18 11.746 14.951 -18.334 235 HB2 LYS 18 HB2 LYS 18 14.180 15.102 -18.204 236 HB3 LYS 18 HB1 LYS 18 13.430 16.419 -17.315 237 HG2 LYS 18 HG2 LYS 18 13.890 15.229 -15.182 238 HG3 LYS 18 HG1 LYS 18 14.686 13.936 -16.087 239 HD2 LYS 18 HD2 LYS 18 15.565 16.858 -15.976 240 HD3 LYS 18 HD1 LYS 18 16.344 15.511 -15.139 241 HE2 LYS 18 HE2 LYS 18 16.911 14.492 -17.329 242 HE3 LYS 18 HE1 LYS 18 16.137 15.842 -18.160 243 HZ1 LYS 18 HZ1 LYS 18 18.495 16.040 -16.374 244 HZ2 LYS 18 HZ2 LYS 18 17.759 17.328 -17.188 245 HZ3 LYS 18 HZ3 LYS 18 18.524 16.101 -18.065 246 H SER 19 HN SER 19 11.910 12.921 -15.554 247 HA SER 19 HA SER 19 11.781 10.539 -17.228 248 HB2 SER 19 HB2 SER 19 13.861 10.576 -15.000 249 HB3 SER 19 HB1 SER 19 13.609 9.333 -16.209 250 HG SER 19 HG SER 19 14.152 11.299 -17.677 251 H ILE 20 HN ILE 20 10.320 9.188 -16.315 252 HA ILE 20 HA ILE 20 9.695 9.318 -13.415 253 HB ILE 20 HB ILE 20 7.353 8.844 -13.885 254 HG12 ILE 20 HG12 ILE 20 8.163 8.713 -16.824 255 HG13 ILE 20 HG11 ILE 20 7.559 7.376 -15.842 256 HG21 ILE 20 HG21 ILE 20 6.636 10.891 -15.046 257 HG22 ILE 20 HG22 ILE 20 8.250 11.086 -15.732 258 HG23 ILE 20 HG23 ILE 20 8.010 11.228 -13.990 259 HD11 ILE 20 HD11 ILE 20 5.984 9.801 -16.722 260 HD12 ILE 20 HD12 ILE 20 5.373 8.526 -15.663 261 HD13 ILE 20 HD13 ILE 20 5.828 8.151 -17.324 262 H TYR 21 HN TYR 21 8.609 7.153 -12.739 263 HA TYR 21 HA TYR 21 9.425 4.858 -14.422 264 HB2 TYR 21 HB2 TYR 21 9.423 4.976 -11.377 265 HB3 TYR 21 HB1 TYR 21 9.633 3.504 -12.318 266 HD1 TYR 21 HD1 TYR 21 11.752 3.098 -13.592 267 HD2 TYR 21 HD2 TYR 21 11.254 6.607 -11.196 268 HE1 TYR 21 HE1 TYR 21 14.175 3.471 -13.622 269 HE2 TYR 21 HE2 TYR 21 13.682 6.981 -11.242 270 HH TYR 21 HH TYR 21 15.786 5.237 -13.313 271 H TRP 22 HN TRP 22 7.674 4.142 -15.308 272 HA TRP 22 HA TRP 22 5.033 4.113 -14.027 273 HB2 TRP 22 HB2 TRP 22 6.056 4.234 -16.776 274 HB3 TRP 22 HB1 TRP 22 4.899 2.927 -16.632 275 HD1 TRP 22 HD1 TRP 22 4.772 6.563 -15.197 276 HE1 TRP 22 HE1 TRP 22 2.580 7.620 -16.025 277 HE3 TRP 22 HE3 TRP 22 2.962 2.661 -17.934 278 HZ2 TRP 22 HZ2 TRP 22 0.386 6.913 -17.616 279 HZ3 TRP 22 HZ3 TRP 22 0.792 2.935 -19.071 280 HH2 TRP 22 HH2 TRP 22 -0.447 5.019 -18.902 281 H ARG 23 HN ARG 23 3.765 2.002 -14.752 282 HA ARG 23 HA ARG 23 5.359 -0.397 -14.949 283 HB2 ARG 23 HB2 ARG 23 5.182 0.192 -12.438 284 HB3 ARG 23 HB1 ARG 23 3.473 -0.213 -12.563 285 HG2 ARG 23 HG2 ARG 23 3.961 -2.505 -13.079 286 HG3 ARG 23 HG1 ARG 23 5.668 -2.149 -13.350 287 HD2 ARG 23 HD2 ARG 23 5.862 -1.535 -10.920 288 HD3 ARG 23 HD1 ARG 23 4.203 -2.088 -10.702 289 HE ARG 23 HE ARG 23 5.160 -4.287 -11.681 290 HH11 ARG 23 HH11 ARG 23 6.945 -2.158 -9.552 291 HH12 ARG 23 HH12 ARG 23 7.851 -3.446 -8.830 292 HH21 ARG 23 HH21 ARG 23 6.358 -5.969 -10.750 293 HH22 ARG 23 HH22 ARG 23 7.498 -5.606 -9.490 294 H VAL 24 HN VAL 24 4.423 -1.230 -16.648 295 HA VAL 24 HA VAL 24 1.476 -1.633 -16.770 296 HB VAL 24 HB VAL 24 1.738 -1.954 -19.217 297 HG11 VAL 24 HG11 VAL 24 2.266 0.356 -19.920 298 HG12 VAL 24 HG12 VAL 24 2.996 0.670 -18.343 299 HG13 VAL 24 HG13 VAL 24 1.268 0.337 -18.463 300 HG21 VAL 24 HG21 VAL 24 4.001 -2.890 -19.296 301 HG22 VAL 24 HG22 VAL 24 4.687 -1.338 -18.816 302 HG23 VAL 24 HG23 VAL 24 3.891 -1.503 -20.383 303 H ASP 25 HN ASP 25 1.068 -3.894 -18.056 304 HA ASP 25 HA ASP 25 2.396 -5.933 -16.513 305 HB2 ASP 25 HB2 ASP 25 0.981 -7.558 -17.605 306 HB3 ASP 25 HB1 ASP 25 0.004 -6.152 -17.202 307 H ASP 26 HN ASP 26 3.456 -7.848 -17.512 308 HA ASP 26 HA ASP 26 5.772 -6.896 -18.904 309 HB2 ASP 26 HB2 ASP 26 5.902 -8.501 -17.049 310 HB3 ASP 26 HB1 ASP 26 4.990 -9.685 -17.980 311 H ASP 27 HN ASP 27 2.839 -8.439 -19.962 312 HA ASP 27 HA ASP 27 3.916 -9.403 -22.493 313 HB2 ASP 27 HB2 ASP 27 1.998 -10.573 -21.381 314 HB3 ASP 27 HB1 ASP 27 1.009 -9.131 -21.592 315 H ALA 28 HN ALA 28 2.591 -6.459 -21.232 316 HA ALA 28 HA ALA 28 1.851 -5.164 -23.677 317 HB1 ALA 28 HB1 ALA 28 1.047 -4.378 -21.493 318 HB2 ALA 28 HB2 ALA 28 1.890 -3.092 -22.356 319 HB3 ALA 28 HB3 ALA 28 2.692 -3.939 -21.028 320 H THR 29 HN THR 29 3.016 -3.255 -24.586 321 HA THR 29 HA THR 29 5.957 -3.301 -24.352 322 HB THR 29 HB THR 29 6.065 -3.063 -26.932 323 HG1 THR 29 HG1 THR 29 3.520 -4.337 -26.741 324 HG21 THR 29 HG21 THR 29 6.898 -5.089 -25.822 325 HG22 THR 29 HG22 THR 29 6.090 -5.496 -27.340 326 HG23 THR 29 HG23 THR 29 5.267 -5.764 -25.802 327 H VAL 30 HN VAL 30 6.634 -1.486 -26.251 328 HA VAL 30 HA VAL 30 6.545 0.912 -24.899 329 HB VAL 30 HB VAL 30 7.009 0.570 -27.896 330 HG11 VAL 30 HG11 VAL 30 8.460 2.568 -27.743 331 HG12 VAL 30 HG12 VAL 30 8.029 2.752 -26.040 332 HG13 VAL 30 HG13 VAL 30 6.795 2.938 -27.287 333 HG21 VAL 30 HG21 VAL 30 9.400 0.273 -27.390 334 HG22 VAL 30 HG22 VAL 30 8.426 -0.995 -26.647 335 HG23 VAL 30 HG23 VAL 30 9.049 0.329 -25.658 336 H GLY 31 HN GLY 31 4.457 -0.215 -27.461 337 HA2 GLY 31 HA2 GLY 31 3.170 2.235 -28.112 338 HA3 GLY 31 HA1 GLY 31 2.658 0.619 -28.574 339 H ASP 32 HN ASP 32 2.321 -0.505 -26.013 340 HA ASP 32 HA ASP 32 -0.273 0.387 -25.263 341 HB2 ASP 32 HB2 ASP 32 0.385 -1.952 -24.948 342 HB3 ASP 32 HB1 ASP 32 1.669 -1.487 -23.838 343 H VAL 33 HN VAL 33 2.946 1.008 -24.063 344 HA VAL 33 HA VAL 33 2.359 2.266 -21.601 345 HB VAL 33 HB VAL 33 4.732 2.620 -23.479 346 HG11 VAL 33 HG11 VAL 33 5.983 3.435 -21.507 347 HG12 VAL 33 HG12 VAL 33 4.499 3.391 -20.550 348 HG13 VAL 33 HG13 VAL 33 4.635 4.498 -21.915 349 HG21 VAL 33 HG21 VAL 33 4.376 0.817 -21.054 350 HG22 VAL 33 HG22 VAL 33 5.865 0.995 -21.994 351 HG23 VAL 33 HG23 VAL 33 4.426 0.297 -22.742 352 H LEU 34 HN LEU 34 3.234 3.818 -24.742 353 HA LEU 34 HA LEU 34 2.514 6.418 -23.853 354 HB2 LEU 34 HB2 LEU 34 2.676 7.052 -26.337 355 HB3 LEU 34 HB1 LEU 34 4.113 6.463 -25.538 356 HG LEU 34 HG LEU 34 3.467 4.149 -26.634 357 HD11 LEU 34 HD11 LEU 34 2.375 4.334 -28.805 358 HD12 LEU 34 HD12 LEU 34 2.008 6.033 -28.489 359 HD13 LEU 34 HD13 LEU 34 1.283 4.768 -27.490 360 HD21 LEU 34 HD21 LEU 34 4.815 4.704 -28.629 361 HD22 LEU 34 HD22 LEU 34 5.515 5.386 -27.164 362 HD23 LEU 34 HD23 LEU 34 4.628 6.427 -28.279 363 H ARG 35 HN ARG 35 0.686 3.888 -25.456 364 HA ARG 35 HA ARG 35 -1.682 5.171 -26.106 365 HB2 ARG 35 HB2 ARG 35 -1.505 2.891 -26.713 366 HB3 ARG 35 HB1 ARG 35 -1.049 2.387 -25.101 367 HG2 ARG 35 HG2 ARG 35 -3.302 1.594 -25.825 368 HG3 ARG 35 HG1 ARG 35 -3.324 2.520 -24.321 369 HD2 ARG 35 HD2 ARG 35 -4.004 4.524 -25.616 370 HD3 ARG 35 HD1 ARG 35 -4.111 3.518 -27.076 371 HE ARG 35 HE ARG 35 -5.957 2.366 -26.108 372 HH11 ARG 35 HH11 ARG 35 -4.917 5.134 -24.190 373 HH12 ARG 35 HH12 ARG 35 -6.423 5.250 -23.341 374 HH21 ARG 35 HH21 ARG 35 -7.920 2.537 -24.988 375 HH22 ARG 35 HH22 ARG 35 -8.138 3.784 -23.799 376 H SER 36 HN SER 36 -0.774 3.811 -22.984 377 HA SER 36 HA SER 36 -3.140 4.707 -21.656 378 HB2 SER 36 HB2 SER 36 -0.587 3.494 -20.597 379 HB3 SER 36 HB1 SER 36 -2.092 3.685 -19.705 380 HG SER 36 HG SER 36 -1.394 1.783 -21.510 381 H LEU 37 HN LEU 37 0.132 5.984 -22.012 382 HA LEU 37 HA LEU 37 0.335 7.782 -19.908 383 HB2 LEU 37 HB2 LEU 37 1.626 7.489 -22.543 384 HB3 LEU 37 HB1 LEU 37 1.537 9.165 -22.068 385 HG LEU 37 HG LEU 37 3.666 8.320 -21.404 386 HD11 LEU 37 HD11 LEU 37 1.946 8.559 -18.919 387 HD12 LEU 37 HD12 LEU 37 2.647 9.900 -19.830 388 HD13 LEU 37 HD13 LEU 37 3.701 8.759 -19.000 389 HD21 LEU 37 HD21 LEU 37 3.967 6.441 -19.862 390 HD22 LEU 37 HD22 LEU 37 3.242 5.965 -21.391 391 HD23 LEU 37 HD23 LEU 37 2.238 6.107 -19.948 392 H GLU 38 HN GLU 38 -1.116 8.402 -23.108 393 HA GLU 38 HA GLU 38 -1.838 11.097 -22.636 394 HB2 GLU 38 HB2 GLU 38 -3.400 10.814 -24.580 395 HB3 GLU 38 HB1 GLU 38 -1.736 10.347 -24.905 396 HG2 GLU 38 HG2 GLU 38 -2.231 8.069 -25.012 397 HG3 GLU 38 HG1 GLU 38 -3.716 8.238 -24.069 398 H ALA 39 HN ALA 39 -3.378 8.126 -21.706 399 HA ALA 39 HA ALA 39 -6.040 9.074 -21.352 400 HB1 ALA 39 HB1 ALA 39 -5.496 6.686 -21.618 401 HB2 ALA 39 HB2 ALA 39 -6.387 6.957 -20.120 402 HB3 ALA 39 HB3 ALA 39 -4.638 6.689 -20.076 403 H GLU 40 HN GLU 40 -3.136 9.347 -19.470 404 HA GLU 40 HA GLU 40 -4.558 10.412 -17.119 405 HB2 GLU 40 HB2 GLU 40 -1.534 10.320 -17.406 406 HB3 GLU 40 HB1 GLU 40 -2.508 10.299 -15.936 407 HG2 GLU 40 HG2 GLU 40 -3.291 7.987 -16.649 408 HG3 GLU 40 HG1 GLU 40 -2.071 8.059 -17.914 409 H TYR 41 HN TYR 41 -1.954 11.333 -19.376 410 HA TYR 41 HA TYR 41 -2.125 14.143 -18.639 411 HB2 TYR 41 HB2 TYR 41 -0.139 12.675 -20.416 412 HB3 TYR 41 HB1 TYR 41 -0.035 14.379 -19.987 413 HD1 TYR 41 HD2 TYR 41 0.337 10.911 -18.708 414 HD2 TYR 41 HD1 TYR 41 0.756 15.064 -17.763 415 HE1 TYR 41 HE2 TYR 41 1.641 10.329 -16.703 416 HE2 TYR 41 HE1 TYR 41 2.068 14.482 -15.761 417 HH TYR 41 HH TYR 41 3.276 11.344 -15.183 418 H ASP 42 HN ASP 42 -3.669 15.245 -19.697 419 HA ASP 42 HA ASP 42 -4.659 14.693 -22.314 420 HB2 ASP 42 HB2 ASP 42 -4.877 17.205 -20.605 421 HB3 ASP 42 HB1 ASP 42 -5.791 16.931 -22.086 422 H GLY 43 HN GLY 43 -1.943 16.502 -21.177 423 HA2 GLY 43 HA2 GLY 43 -1.481 18.122 -23.522 424 HA3 GLY 43 HA1 GLY 43 -0.365 17.853 -22.190 425 H LEU 44 HN LEU 44 -1.007 14.812 -22.856 426 HA LEU 44 HA LEU 44 0.993 14.504 -25.018 427 HB2 LEU 44 HB2 LEU 44 -0.005 12.559 -22.929 428 HB3 LEU 44 HB1 LEU 44 1.072 12.109 -24.225 429 HG LEU 44 HG LEU 44 1.717 14.039 -21.978 430 HD11 LEU 44 HD11 LEU 44 3.298 12.340 -21.205 431 HD12 LEU 44 HD12 LEU 44 2.751 11.237 -22.472 432 HD13 LEU 44 HD13 LEU 44 1.642 11.737 -21.192 433 HD21 LEU 44 HD21 LEU 44 2.871 14.717 -24.019 434 HD22 LEU 44 HD22 LEU 44 3.486 13.080 -24.249 435 HD23 LEU 44 HD23 LEU 44 4.020 14.041 -22.867 436 H ALA 45 HN ALA 45 -2.313 14.575 -24.640 437 HA ALA 45 HA ALA 45 -3.255 12.163 -25.747 438 HB1 ALA 45 HB1 ALA 45 -5.408 13.325 -25.942 439 HB2 ALA 45 HB2 ALA 45 -4.599 14.877 -25.691 440 HB3 ALA 45 HB3 ALA 45 -4.634 13.680 -24.394 441 H GLY 46 HN GLY 46 -3.098 11.393 -27.778 442 HA2 GLY 46 HA2 GLY 46 -3.440 11.236 -30.046 443 HA3 GLY 46 HA1 GLY 46 -4.073 12.868 -30.031 444 H ARG 47 HN ARG 47 -1.009 12.946 -28.723 445 HA ARG 47 HA ARG 47 0.266 13.639 -31.308 446 HB2 ARG 47 HB2 ARG 47 1.770 15.143 -29.814 447 HB3 ARG 47 HB1 ARG 47 0.133 15.692 -30.165 448 HG2 ARG 47 HG2 ARG 47 -0.630 14.903 -27.985 449 HG3 ARG 47 HG1 ARG 47 0.975 14.271 -27.629 450 HD2 ARG 47 HD2 ARG 47 0.408 16.436 -26.523 451 HD3 ARG 47 HD1 ARG 47 1.886 16.454 -27.451 452 HE ARG 47 HE ARG 47 0.057 17.426 -29.207 453 HH11 ARG 47 HH11 ARG 47 0.840 18.327 -25.900 454 HH12 ARG 47 HH12 ARG 47 0.392 19.984 -26.122 455 HH21 ARG 47 HH21 ARG 47 -0.534 19.605 -29.474 456 HH22 ARG 47 HH22 ARG 47 -0.378 20.712 -28.148 457 H LEU 48 HN LEU 48 0.274 11.385 -28.868 458 HA LEU 48 HA LEU 48 3.054 10.539 -29.457 459 HB2 LEU 48 HB2 LEU 48 3.239 9.550 -27.337 460 HB3 LEU 48 HB1 LEU 48 2.472 11.090 -27.028 461 HG LEU 48 HG LEU 48 1.347 8.295 -26.772 462 HD11 LEU 48 HD11 LEU 48 0.740 9.083 -24.505 463 HD12 LEU 48 HD12 LEU 48 1.491 10.634 -24.871 464 HD13 LEU 48 HD13 LEU 48 2.469 9.174 -24.833 465 HD21 LEU 48 HD21 LEU 48 -0.384 10.770 -26.830 466 HD22 LEU 48 HD22 LEU 48 -0.888 9.154 -26.342 467 HD23 LEU 48 HD23 LEU 48 -0.393 9.455 -28.002 468 H ILE 49 HN ILE 49 -0.121 9.963 -30.195 469 HA ILE 49 HA ILE 49 0.525 7.359 -31.425 470 HB ILE 49 HB ILE 49 -2.068 8.047 -29.985 471 HG12 ILE 49 HG12 ILE 49 -0.157 5.694 -29.711 472 HG13 ILE 49 HG11 ILE 49 -0.357 7.016 -28.562 473 HG21 ILE 49 HG21 ILE 49 -3.059 5.940 -30.891 474 HG22 ILE 49 HG22 ILE 49 -1.646 5.734 -31.930 475 HG23 ILE 49 HG23 ILE 49 -2.724 7.110 -32.163 476 HD11 ILE 49 HD11 ILE 49 -1.446 4.946 -27.865 477 HD12 ILE 49 HD12 ILE 49 -2.484 5.001 -29.280 478 HD13 ILE 49 HD13 ILE 49 -2.599 6.265 -28.049 479 H GLU 50 HN GLU 50 0.056 7.337 -33.585 480 HA GLU 50 HA GLU 50 -2.375 8.665 -34.508 481 HB2 GLU 50 HB2 GLU 50 0.338 9.111 -35.719 482 HB3 GLU 50 HB1 GLU 50 -1.016 8.933 -36.825 483 HG2 GLU 50 HG2 GLU 50 -0.758 10.996 -34.646 484 HG3 GLU 50 HG1 GLU 50 -0.567 11.269 -36.375 485 H ASP 51 HN ASP 51 -3.634 7.112 -35.276 486 HA ASP 51 HA ASP 51 -4.442 5.400 -36.495 487 HB2 ASP 51 HB2 ASP 51 -3.307 6.759 -38.295 488 HB3 ASP 51 HB1 ASP 51 -1.889 5.728 -38.131 489 H GLY 52 HN GLY 52 -2.793 4.754 -34.183 490 HA2 GLY 52 HA2 GLY 52 -2.472 2.757 -33.067 491 HA3 GLY 52 HA1 GLY 52 -2.572 1.889 -34.590 492 H GLU 53 HN GLU 53 -0.333 4.270 -35.059 493 HA GLU 53 HA GLU 53 1.962 2.752 -33.930 494 HB2 GLU 53 HB2 GLU 53 3.344 3.833 -35.751 495 HB3 GLU 53 HB1 GLU 53 2.124 2.706 -36.349 496 HG2 GLU 53 HG2 GLU 53 0.642 4.592 -36.866 497 HG3 GLU 53 HG1 GLU 53 1.863 5.724 -36.307 498 H VAL 54 HN VAL 54 3.934 4.637 -33.997 499 HA VAL 54 HA VAL 54 3.318 6.069 -31.640 500 HB VAL 54 HB VAL 54 5.611 7.166 -31.949 501 HG11 VAL 54 HG11 VAL 54 6.844 5.073 -31.457 502 HG12 VAL 54 HG12 VAL 54 5.475 4.129 -32.050 503 HG13 VAL 54 HG13 VAL 54 5.294 5.130 -30.610 504 HG21 VAL 54 HG21 VAL 54 7.124 6.231 -33.682 505 HG22 VAL 54 HG22 VAL 54 5.777 7.111 -34.412 506 HG23 VAL 54 HG23 VAL 54 5.771 5.345 -34.390 507 H LYS 55 HN LYS 55 3.971 7.450 -34.952 508 HA LYS 55 HA LYS 55 2.154 9.336 -35.345 509 HB2 LYS 55 HB2 LYS 55 2.207 10.485 -33.281 510 HB3 LYS 55 HB1 LYS 55 3.947 10.389 -33.140 511 HG2 LYS 55 HG2 LYS 55 3.659 12.653 -33.511 512 HG3 LYS 55 HG1 LYS 55 3.930 12.095 -35.154 513 HD2 LYS 55 HD2 LYS 55 2.098 13.671 -35.150 514 HD3 LYS 55 HD1 LYS 55 1.469 12.068 -35.534 515 HE2 LYS 55 HE2 LYS 55 0.654 11.805 -33.247 516 HE3 LYS 55 HE1 LYS 55 1.370 13.349 -32.787 517 HZ1 LYS 55 HZ1 LYS 55 -0.144 14.476 -34.259 518 HZ2 LYS 55 HZ2 LYS 55 -1.014 13.501 -33.187 519 HZ3 LYS 55 HZ3 LYS 55 -0.794 13.008 -34.786 520 HA PRO 56 HA PRO 56 5.203 10.308 -38.636 521 HB2 PRO 56 HB2 PRO 56 3.804 12.525 -39.617 522 HB3 PRO 56 HB1 PRO 56 3.497 10.852 -40.104 523 HG2 PRO 56 HG2 PRO 56 2.079 12.520 -38.023 524 HG3 PRO 56 HG1 PRO 56 1.384 11.462 -39.266 525 HD2 PRO 56 HD2 PRO 56 1.568 10.622 -36.754 526 HD3 PRO 56 HD1 PRO 56 1.938 9.505 -38.091 527 H HIS 57 HN HIS 57 7.038 11.353 -38.203 528 HA HIS 57 HA HIS 57 8.530 13.023 -37.989 529 HB2 HIS 57 HB2 HIS 57 6.195 14.901 -37.487 530 HB3 HIS 57 HB1 HIS 57 7.866 15.406 -37.714 531 HD1 HIS 57 HD1 HIS 57 8.781 15.438 -40.128 532 HD2 HIS 57 HD2 HIS 57 4.864 14.079 -39.870 533 HE1 HIS 57 HE1 HIS 57 7.895 15.492 -42.472 534 HE2 HIS 57 HE2 HIS 57 5.496 14.772 -42.281 535 H VAL 58 HN VAL 58 6.733 11.840 -35.485 536 HA VAL 58 HA VAL 58 7.844 13.408 -33.322 537 HB VAL 58 HB VAL 58 5.651 11.969 -33.251 538 HG11 VAL 58 HG11 VAL 58 6.612 9.814 -33.954 539 HG12 VAL 58 HG12 VAL 58 5.852 9.696 -32.366 540 HG13 VAL 58 HG13 VAL 58 7.610 9.779 -32.496 541 HG21 VAL 58 HG21 VAL 58 7.576 11.876 -30.905 542 HG22 VAL 58 HG22 VAL 58 5.825 11.657 -30.804 543 HG23 VAL 58 HG23 VAL 58 6.495 13.208 -31.314 544 H ASN 59 HN ASN 59 9.453 12.620 -31.791 545 HA ASN 59 HA ASN 59 11.365 10.649 -32.937 546 HB2 ASN 59 HB2 ASN 59 11.902 13.203 -31.345 547 HB3 ASN 59 HB1 ASN 59 13.141 12.026 -31.777 548 HD21 ASN 59 HD21 ASN 59 13.978 12.035 -33.844 549 HD22 ASN 59 HD22 ASN 59 13.536 13.189 -35.050 550 H VAL 60 HN VAL 60 11.054 8.832 -31.800 551 HA VAL 60 HA VAL 60 10.802 8.946 -28.846 552 HB VAL 60 HB VAL 60 9.240 6.860 -29.153 553 HG11 VAL 60 HG11 VAL 60 7.216 8.313 -29.202 554 HG12 VAL 60 HG12 VAL 60 8.197 9.661 -29.785 555 HG13 VAL 60 HG13 VAL 60 8.474 9.003 -28.170 556 HG21 VAL 60 HG21 VAL 60 7.828 6.894 -31.185 557 HG22 VAL 60 HG22 VAL 60 9.518 6.595 -31.591 558 HG23 VAL 60 HG23 VAL 60 8.817 8.192 -31.860 559 H LEU 61 HN LEU 61 11.992 7.489 -27.775 560 HA LEU 61 HA LEU 61 13.844 5.797 -29.327 561 HB2 LEU 61 HB2 LEU 61 14.439 7.720 -27.062 562 HB3 LEU 61 HB1 LEU 61 15.587 6.503 -27.583 563 HG LEU 61 HG LEU 61 15.484 7.638 -29.878 564 HD11 LEU 61 HD11 LEU 61 13.531 8.945 -29.770 565 HD12 LEU 61 HD12 LEU 61 14.901 10.036 -29.918 566 HD13 LEU 61 HD13 LEU 61 14.113 9.813 -28.353 567 HD21 LEU 61 HD21 LEU 61 17.140 9.349 -29.287 568 HD22 LEU 61 HD22 LEU 61 17.426 7.863 -28.384 569 HD23 LEU 61 HD23 LEU 61 16.656 9.240 -27.592 570 H LYS 62 HN LYS 62 14.329 3.838 -28.528 571 HA LYS 62 HA LYS 62 13.540 3.038 -25.793 572 HB2 LYS 62 HB2 LYS 62 12.198 1.827 -27.419 573 HB3 LYS 62 HB1 LYS 62 13.603 1.452 -28.389 574 HG2 LYS 62 HG2 LYS 62 12.970 -0.567 -27.354 575 HG3 LYS 62 HG1 LYS 62 14.409 -0.028 -26.501 576 HD2 LYS 62 HD2 LYS 62 11.626 0.521 -25.421 577 HD3 LYS 62 HD1 LYS 62 12.441 -1.011 -25.124 578 HE2 LYS 62 HE2 LYS 62 13.376 1.744 -24.274 579 HE3 LYS 62 HE1 LYS 62 12.788 0.446 -23.231 580 HZ1 LYS 62 HZ1 LYS 62 14.681 -0.890 -23.857 581 HZ2 LYS 62 HZ2 LYS 62 15.200 0.589 -23.228 582 HZ3 LYS 62 HZ3 LYS 62 15.244 0.315 -24.900 583 H ASN 63 HN ASN 63 15.348 3.157 -24.624 584 HA ASN 63 HA ASN 63 17.456 2.943 -23.828 585 HB2 ASN 63 HB2 ASN 63 16.889 0.489 -24.337 586 HB3 ASN 63 HB1 ASN 63 17.812 0.655 -25.822 587 HD21 ASN 63 HD21 ASN 63 19.432 -0.798 -25.316 588 HD22 ASN 63 HD22 ASN 63 20.545 -0.592 -24.011 589 H GLY 64 HN GLY 64 16.968 4.795 -25.886 590 HA2 GLY 64 HA2 GLY 64 18.341 6.463 -26.754 591 HA3 GLY 64 HA1 GLY 64 19.698 5.349 -26.775 592 H ARG 65 HN ARG 65 17.563 3.448 -28.183 593 HA ARG 65 HA ARG 65 18.306 4.290 -30.900 594 HB2 ARG 65 HB2 ARG 65 18.824 1.968 -30.225 595 HB3 ARG 65 HB1 ARG 65 17.118 1.657 -29.932 596 HG2 ARG 65 HG2 ARG 65 17.835 0.725 -32.091 597 HG3 ARG 65 HG1 ARG 65 16.620 1.981 -32.313 598 HD2 ARG 65 HD2 ARG 65 18.452 2.132 -33.978 599 HD3 ARG 65 HD1 ARG 65 18.334 3.584 -32.980 600 HE ARG 65 HE ARG 65 20.226 1.631 -31.996 601 HH11 ARG 65 HH11 ARG 65 19.878 4.361 -34.191 602 HH12 ARG 65 HH12 ARG 65 21.558 4.784 -34.109 603 HH21 ARG 65 HH21 ARG 65 22.405 2.213 -31.898 604 HH22 ARG 65 HH22 ARG 65 22.987 3.567 -32.811 605 H GLU 66 HN GLU 66 16.909 5.495 -31.958 606 HA GLU 66 HA GLU 66 14.293 6.045 -31.028 607 HB2 GLU 66 HB2 GLU 66 16.012 7.560 -32.298 608 HB3 GLU 66 HB1 GLU 66 15.318 6.870 -33.754 609 HG2 GLU 66 HG2 GLU 66 13.101 7.777 -33.115 610 HG3 GLU 66 HG1 GLU 66 13.791 8.404 -31.640 611 H VAL 67 HN VAL 67 12.666 4.708 -31.234 612 HA VAL 67 HA VAL 67 12.508 2.450 -32.943 613 HB VAL 67 HB VAL 67 10.276 2.086 -31.964 614 HG11 VAL 67 HG11 VAL 67 12.253 1.277 -30.787 615 HG12 VAL 67 HG12 VAL 67 11.018 1.776 -29.630 616 HG13 VAL 67 HG13 VAL 67 12.412 2.817 -29.936 617 HG21 VAL 67 HG21 VAL 67 10.696 4.724 -30.499 618 HG22 VAL 67 HG22 VAL 67 9.382 3.580 -30.213 619 HG23 VAL 67 HG23 VAL 67 9.493 4.422 -31.757 620 H VAL 68 HN VAL 68 11.842 5.623 -33.847 621 HA VAL 68 HA VAL 68 9.720 5.133 -35.718 622 HB VAL 68 HB VAL 68 10.263 7.260 -36.729 623 HG11 VAL 68 HG11 VAL 68 9.147 7.412 -34.553 624 HG12 VAL 68 HG12 VAL 68 10.238 8.780 -34.771 625 HG13 VAL 68 HG13 VAL 68 10.707 7.437 -33.724 626 HG21 VAL 68 HG21 VAL 68 12.303 8.564 -36.163 627 HG22 VAL 68 HG22 VAL 68 12.700 7.042 -36.960 628 HG23 VAL 68 HG23 VAL 68 12.906 7.200 -35.215 629 H HIS 69 HN HIS 69 13.117 4.443 -35.676 630 HA HIS 69 HA HIS 69 13.373 3.971 -38.552 631 HB2 HIS 69 HB2 HIS 69 15.414 3.415 -36.356 632 HB3 HIS 69 HB1 HIS 69 15.729 3.518 -38.087 633 HD1 HIS 69 HD1 HIS 69 14.990 6.080 -39.065 634 HD2 HIS 69 HD2 HIS 69 16.075 5.696 -35.077 635 HE1 HIS 69 HE1 HIS 69 15.562 8.401 -38.301 636 HE2 HIS 69 HE2 HIS 69 16.046 8.168 -35.841 637 H LEU 70 HN LEU 70 12.462 2.251 -35.758 638 HA LEU 70 HA LEU 70 12.335 -0.289 -37.203 639 HB2 LEU 70 HB2 LEU 70 12.986 -1.554 -35.147 640 HB3 LEU 70 HB1 LEU 70 14.295 -0.647 -35.874 641 HG LEU 70 HG LEU 70 12.794 0.421 -33.444 642 HD11 LEU 70 HD11 LEU 70 15.269 -1.349 -33.409 643 HD12 LEU 70 HD12 LEU 70 13.663 -1.791 -32.822 644 HD13 LEU 70 HD13 LEU 70 14.573 -0.519 -32.011 645 HD21 LEU 70 HD21 LEU 70 15.579 0.994 -34.523 646 HD22 LEU 70 HD22 LEU 70 14.862 1.702 -33.073 647 HD23 LEU 70 HD23 LEU 70 14.173 2.057 -34.655 648 H ASP 71 HN ASP 71 11.228 -1.307 -34.352 649 HA ASP 71 HA ASP 71 8.485 -0.712 -35.141 650 HB2 ASP 71 HB2 ASP 71 9.561 -2.999 -34.235 651 HB3 ASP 71 HB1 ASP 71 9.069 -2.373 -32.692 652 H GLY 72 HN GLY 72 7.414 0.965 -34.321 653 HA2 GLY 72 HA2 GLY 72 8.267 2.451 -32.031 654 HA3 GLY 72 HA1 GLY 72 6.794 2.703 -32.942 655 H MET 73 HN MET 73 5.664 0.148 -32.648 656 HA MET 73 HA MET 73 4.421 0.549 -30.061 657 HB2 MET 73 HB2 MET 73 3.761 -1.169 -32.471 658 HB3 MET 73 HB1 MET 73 2.871 -1.332 -30.959 659 HG2 MET 73 HG2 MET 73 3.144 1.355 -32.319 660 HG3 MET 73 HG1 MET 73 1.882 0.210 -32.775 661 HE1 MET 73 HE1 MET 73 2.352 3.283 -30.844 662 HE2 MET 73 HE2 MET 73 0.773 3.269 -30.054 663 HE3 MET 73 HE3 MET 73 0.897 3.019 -31.796 664 H ALA 74 HN ALA 74 6.442 -2.007 -31.540 665 HA ALA 74 HA ALA 74 6.743 -3.312 -28.933 666 HB1 ALA 74 HB1 ALA 74 4.680 -4.339 -29.810 667 HB2 ALA 74 HB2 ALA 74 5.986 -5.520 -29.718 668 HB3 ALA 74 HB3 ALA 74 5.535 -4.828 -31.277 669 H THR 75 HN THR 75 8.836 -2.262 -29.619 670 HA THR 75 HA THR 75 10.490 -3.581 -31.546 671 HB THR 75 HB THR 75 11.091 -1.332 -31.217 672 HG1 THR 75 HG1 THR 75 12.945 -2.686 -31.259 673 HG21 THR 75 HG21 THR 75 11.625 -0.286 -29.058 674 HG22 THR 75 HG22 THR 75 11.251 -1.790 -28.218 675 HG23 THR 75 HG23 THR 75 9.975 -0.907 -29.063 676 H ALA 76 HN ALA 76 10.797 -3.510 -27.930 677 HA ALA 76 HA ALA 76 11.747 -6.152 -27.603 678 HB1 ALA 76 HB1 ALA 76 14.178 -5.749 -27.390 679 HB2 ALA 76 HB2 ALA 76 13.958 -4.066 -27.882 680 HB3 ALA 76 HB3 ALA 76 13.622 -5.372 -29.021 681 H LEU 77 HN LEU 77 10.039 -4.316 -26.193 682 HA LEU 77 HA LEU 77 11.463 -3.000 -24.065 683 HB2 LEU 77 HB2 LEU 77 9.306 -2.146 -25.060 684 HB3 LEU 77 HB1 LEU 77 8.471 -3.480 -24.286 685 HG LEU 77 HG LEU 77 9.128 -2.590 -22.049 686 HD11 LEU 77 HD11 LEU 77 10.118 -0.355 -21.853 687 HD12 LEU 77 HD12 LEU 77 10.315 -0.279 -23.606 688 HD13 LEU 77 HD13 LEU 77 11.213 -1.475 -22.662 689 HD21 LEU 77 HD21 LEU 77 6.965 -1.915 -23.024 690 HD22 LEU 77 HD22 LEU 77 7.737 -0.515 -23.772 691 HD23 LEU 77 HD23 LEU 77 7.650 -0.644 -22.016 692 H ASP 78 HN ASP 78 11.661 -3.603 -21.921 693 HA ASP 78 HA ASP 78 10.514 -6.127 -20.933 694 HB2 ASP 78 HB2 ASP 78 12.729 -6.628 -22.089 695 HB3 ASP 78 HB1 ASP 78 13.518 -5.560 -20.935 696 H ASP 79 HN ASP 79 11.572 -6.316 -18.461 697 HA ASP 79 HA ASP 79 10.660 -4.020 -17.044 698 HB2 ASP 79 HB2 ASP 79 10.432 -6.235 -16.050 699 HB3 ASP 79 HB1 ASP 79 12.171 -6.484 -16.095 700 H GLY 80 HN GLY 80 11.775 -2.581 -15.739 701 HA2 GLY 80 HA2 GLY 80 13.391 -1.075 -15.144 702 HA3 GLY 80 HA1 GLY 80 14.572 -2.344 -15.427 703 H ASP 81 HN ASP 81 12.463 -1.347 -18.028 704 HA ASP 81 HA ASP 81 14.886 -0.686 -19.557 705 HB2 ASP 81 HB2 ASP 81 12.807 -2.388 -20.163 706 HB3 ASP 81 HB1 ASP 81 12.270 -0.944 -20.982 707 H ALA 82 HN ALA 82 15.329 1.304 -20.243 708 HA ALA 82 HA ALA 82 13.592 3.521 -19.510 709 HB1 ALA 82 HB1 ALA 82 15.504 4.948 -20.131 710 HB2 ALA 82 HB2 ALA 82 16.373 3.533 -20.737 711 HB3 ALA 82 HB3 ALA 82 15.982 3.663 -19.020 712 H VAL 83 HN VAL 83 12.033 4.176 -20.892 713 HA VAL 83 HA VAL 83 12.520 4.195 -23.819 714 HB VAL 83 HB VAL 83 9.845 4.632 -22.400 715 HG11 VAL 83 HG11 VAL 83 9.929 5.549 -24.669 716 HG12 VAL 83 HG12 VAL 83 8.858 4.148 -24.617 717 HG13 VAL 83 HG13 VAL 83 10.476 3.994 -25.307 718 HG21 VAL 83 HG21 VAL 83 10.600 2.376 -21.843 719 HG22 VAL 83 HG22 VAL 83 10.894 2.022 -23.548 720 HG23 VAL 83 HG23 VAL 83 9.248 2.304 -22.975 721 H SER 84 HN SER 84 13.492 6.116 -24.284 722 HA SER 84 HA SER 84 12.741 8.639 -23.023 723 HB2 SER 84 HB2 SER 84 14.673 7.983 -25.302 724 HB3 SER 84 HB1 SER 84 14.447 9.596 -24.623 725 HG SER 84 HG SER 84 15.852 9.028 -23.190 726 H VAL 85 HN VAL 85 11.629 10.355 -24.147 727 HA VAL 85 HA VAL 85 10.661 9.870 -26.866 728 HB VAL 85 HB VAL 85 8.346 10.457 -26.436 729 HG11 VAL 85 HG11 VAL 85 7.506 8.520 -25.159 730 HG12 VAL 85 HG12 VAL 85 9.120 8.240 -24.503 731 HG13 VAL 85 HG13 VAL 85 8.829 8.052 -26.233 732 HG21 VAL 85 HG21 VAL 85 9.063 10.727 -23.499 733 HG22 VAL 85 HG22 VAL 85 7.426 10.797 -24.157 734 HG23 VAL 85 HG23 VAL 85 8.604 12.035 -24.598 735 H PHE 86 HN PHE 86 10.236 11.682 -27.996 736 HA PHE 86 HA PHE 86 10.585 14.361 -26.812 737 HB2 PHE 86 HB2 PHE 86 11.751 13.475 -29.519 738 HB3 PHE 86 HB1 PHE 86 11.838 15.092 -28.837 739 HD1 PHE 86 HD2 PHE 86 12.917 11.558 -28.155 740 HD2 PHE 86 HD1 PHE 86 13.825 15.715 -27.683 741 HE1 PHE 86 HE2 PHE 86 15.111 10.986 -27.208 742 HE2 PHE 86 HE1 PHE 86 16.029 15.113 -26.758 743 HZ PHE 86 HZ PHE 86 16.667 12.737 -26.532 744 HA PRO 87 HA PRO 87 6.743 14.897 -29.326 745 HB2 PRO 87 HB2 PRO 87 6.807 17.672 -29.527 746 HB3 PRO 87 HB1 PRO 87 6.259 16.819 -28.078 747 HG2 PRO 87 HG2 PRO 87 8.966 17.999 -28.672 748 HG3 PRO 87 HG1 PRO 87 7.988 18.121 -27.195 749 HD2 PRO 87 HD2 PRO 87 10.023 16.395 -27.338 750 HD3 PRO 87 HD1 PRO 87 8.525 15.966 -26.484 751 HA PRO 88 HA PRO 88 8.142 15.197 -33.522 752 HB2 PRO 88 HB2 PRO 88 6.247 16.709 -34.839 753 HB3 PRO 88 HB1 PRO 88 5.964 15.046 -34.297 754 HG2 PRO 88 HG2 PRO 88 5.186 17.629 -32.941 755 HG3 PRO 88 HG1 PRO 88 4.199 16.179 -33.237 756 HD2 PRO 88 HD2 PRO 88 5.346 16.603 -30.834 757 HD3 PRO 88 HD1 PRO 88 5.238 14.962 -31.520 758 H VAL 89 HN VAL 89 9.810 16.285 -34.287 759 HA VAL 89 HA VAL 89 9.940 19.246 -34.216 760 HB VAL 89 HB VAL 89 12.322 19.203 -33.622 761 HG11 VAL 89 HG11 VAL 89 12.193 18.467 -31.257 762 HG12 VAL 89 HG12 VAL 89 10.699 17.594 -31.608 763 HG13 VAL 89 HG13 VAL 89 10.745 19.353 -31.745 764 HG21 VAL 89 HG21 VAL 89 12.985 17.050 -34.622 765 HG22 VAL 89 HG22 VAL 89 12.084 16.175 -33.384 766 HG23 VAL 89 HG23 VAL 89 13.500 17.127 -32.935 767 H ALA 90 HN ALA 90 10.407 16.262 -35.849 768 HA ALA 90 HA ALA 90 11.881 17.258 -38.116 769 HB1 ALA 90 HB1 ALA 90 10.266 14.700 -37.774 770 HB2 ALA 90 HB2 ALA 90 11.988 14.890 -37.438 771 HB3 ALA 90 HB3 ALA 90 11.394 15.043 -39.091 772 H GLY 91 HN GLY 91 8.712 17.714 -37.071 773 HA2 GLY 91 HA2 GLY 91 7.270 17.752 -39.559 774 HA3 GLY 91 HA1 GLY 91 6.760 18.468 -38.034 775 H GLY 92 HN GLY 92 8.550 18.972 -40.994 776 HA2 GLY 92 HA2 GLY 92 9.524 21.610 -40.453 777 HA3 GLY 92 HA1 GLY 92 9.506 20.788 -42.002 Start of MODEL 8 1 H1 GLY -13 HT1 GLY -13 2.412 -7.078 1.182 2 H2 GLY -13 HT2 GLY -13 0.846 -6.563 0.807 3 H3 GLY -13 HT3 GLY -13 1.771 -5.713 1.939 4 HA2 GLY -13 HA1 GLY -13 3.318 -5.006 0.278 5 HA3 GLY -13 HA2 GLY -13 2.481 -5.981 -0.926 6 H GLY -12 HN GLY -12 2.737 -3.541 -1.732 7 HA2 GLY -12 HA2 GLY -12 0.029 -2.420 -1.671 8 HA3 GLY -12 HA1 GLY -12 1.319 -1.371 -1.089 9 H GLY -11 HN GLY -11 1.974 -3.690 -3.582 10 HA2 GLY -11 HA2 GLY -11 2.815 -1.630 -5.441 11 HA3 GLY -11 HA1 GLY -11 2.949 -3.373 -5.648 12 H ARG -10 HN ARG -10 1.938 -1.192 -7.447 13 HA ARG -10 HA ARG -10 -0.904 -1.757 -7.772 14 HB2 ARG -10 HB2 ARG -10 0.959 0.023 -9.409 15 HB3 ARG -10 HB1 ARG -10 -0.791 -0.087 -9.611 16 HG2 ARG -10 HG2 ARG -10 -1.060 0.735 -7.257 17 HG3 ARG -10 HG1 ARG -10 0.690 0.958 -7.173 18 HD2 ARG -10 HD2 ARG -10 -0.459 3.076 -7.659 19 HD3 ARG -10 HD1 ARG -10 0.573 2.594 -9.010 20 HE ARG -10 HE ARG -10 -1.852 1.567 -9.682 21 HH11 ARG -10 HH11 ARG -10 -0.835 4.823 -8.824 22 HH12 ARG -10 HH12 ARG -10 -2.076 5.576 -9.772 23 HH21 ARG -10 HH21 ARG -10 -3.432 2.571 -10.941 24 HH22 ARG -10 HH22 ARG -10 -3.545 4.304 -10.977 25 H ASP -9 HN ASP -9 -0.556 -4.015 -8.116 26 HA ASP -9 HA ASP -9 0.525 -4.888 -10.692 27 HB2 ASP -9 HB2 ASP -9 -0.843 -6.636 -8.605 28 HB3 ASP -9 HB1 ASP -9 0.269 -7.138 -9.887 29 H TYR -8 HN TYR -8 -0.855 -6.252 -12.133 30 HA TYR -8 HA TYR -8 -3.615 -5.164 -12.256 31 HB2 TYR -8 HB2 TYR -8 -1.687 -5.489 -14.590 32 HB3 TYR -8 HB1 TYR -8 -3.310 -4.821 -14.677 33 HD1 TYR -8 HD1 TYR -8 -3.789 -2.545 -13.774 34 HD2 TYR -8 HD2 TYR -8 0.186 -4.141 -13.751 35 HE1 TYR -8 HE1 TYR -8 -2.896 -0.291 -13.403 36 HE2 TYR -8 HE2 TYR -8 1.079 -1.866 -13.399 37 HH TYR -8 HH TYR -8 0.325 0.509 -13.834 38 H LYS -7 HN LYS -7 -2.645 -7.795 -11.362 39 HA LYS -7 HA LYS -7 -4.523 -9.447 -12.763 40 HB2 LYS -7 HB2 LYS -7 -2.811 -11.256 -13.348 41 HB3 LYS -7 HB1 LYS -7 -2.787 -9.833 -14.378 42 HG2 LYS -7 HG2 LYS -7 -0.895 -9.946 -12.045 43 HG3 LYS -7 HG1 LYS -7 -0.522 -10.922 -13.464 44 HD2 LYS -7 HD2 LYS -7 -1.008 -7.915 -13.550 45 HD3 LYS -7 HD1 LYS -7 0.579 -8.631 -13.345 46 HE2 LYS -7 HE2 LYS -7 0.396 -8.065 -15.629 47 HE3 LYS -7 HE1 LYS -7 0.223 -9.817 -15.546 48 HZ1 LYS -7 HZ1 LYS -7 -1.352 -8.801 -17.055 49 HZ2 LYS -7 HZ2 LYS -7 -2.005 -7.872 -15.807 50 HZ3 LYS -7 HZ3 LYS -7 -2.160 -9.558 -15.781 51 H ASP -6 HN ASP -6 -5.476 -10.481 -11.174 52 HA ASP -6 HA ASP -6 -5.921 -11.808 -9.413 53 HB2 ASP -6 HB2 ASP -6 -4.290 -13.205 -10.898 54 HB3 ASP -6 HB1 ASP -6 -3.089 -12.896 -9.655 55 H ASP -5 HN ASP -5 -4.562 -12.742 -7.171 56 HA ASP -5 HA ASP -5 -3.522 -10.330 -5.779 57 HB2 ASP -5 HB2 ASP -5 -4.675 -12.926 -4.635 58 HB3 ASP -5 HB1 ASP -5 -4.077 -11.575 -3.674 59 H ASP -4 HN ASP -4 -2.840 -13.621 -6.739 60 HA ASP -4 HA ASP -4 -0.525 -14.099 -5.130 61 HB2 ASP -4 HB2 ASP -4 -1.753 -16.005 -5.888 62 HB3 ASP -4 HB1 ASP -4 -1.718 -15.475 -7.565 63 H ASP -3 HN ASP -3 -0.863 -13.488 -8.653 64 HA ASP -3 HA ASP -3 2.042 -13.179 -8.920 65 HB2 ASP -3 HB2 ASP -3 0.971 -14.661 -10.527 66 HB3 ASP -3 HB1 ASP -3 -0.173 -13.407 -11.000 67 H LYS -2 HN LYS -2 3.078 -11.354 -9.640 68 HA LYS -2 HA LYS -2 1.640 -8.785 -9.523 69 HB2 LYS -2 HB2 LYS -2 3.910 -7.767 -9.558 70 HB3 LYS -2 HB1 LYS -2 3.691 -8.900 -8.233 71 HG2 LYS -2 HG2 LYS -2 5.036 -10.580 -9.361 72 HG3 LYS -2 HG1 LYS -2 5.157 -9.573 -10.806 73 HD2 LYS -2 HD2 LYS -2 7.212 -9.541 -9.359 74 HD3 LYS -2 HD1 LYS -2 6.521 -7.944 -9.652 75 HE2 LYS -2 HE2 LYS -2 5.527 -7.919 -7.422 76 HE3 LYS -2 HE1 LYS -2 6.053 -9.577 -7.121 77 HZ1 LYS -2 HZ1 LYS -2 7.862 -7.270 -7.578 78 HZ2 LYS -2 HZ2 LYS -2 8.324 -8.854 -7.207 79 HZ3 LYS -2 HZ3 LYS -2 7.479 -7.933 -6.072 80 H GLY -1 HN GLY -1 3.584 -10.718 -11.799 81 HA2 GLY -1 HA2 GLY -1 4.001 -10.536 -14.045 82 HA3 GLY -1 HA1 GLY -1 2.279 -10.235 -14.125 83 H THR 0 HN THR 0 4.646 -8.037 -12.699 84 HA THR 0 HA THR 0 3.885 -5.972 -14.682 85 HB THR 0 HB THR 0 4.493 -4.400 -12.636 86 HG1 THR 0 HG1 THR 0 3.482 -6.277 -10.907 87 HG21 THR 0 HG21 THR 0 2.226 -4.544 -13.575 88 HG22 THR 0 HG22 THR 0 2.184 -4.454 -11.812 89 HG23 THR 0 HG23 THR 0 1.912 -5.998 -12.622 90 H MET 1 HN MET 1 5.391 -4.513 -15.349 91 HA MET 1 HA MET 1 8.184 -4.762 -14.471 92 HB2 MET 1 HB2 MET 1 9.013 -4.563 -16.752 93 HB3 MET 1 HB1 MET 1 7.948 -5.953 -16.657 94 HG2 MET 1 HG2 MET 1 6.171 -4.689 -17.745 95 HG3 MET 1 HG1 MET 1 7.198 -3.253 -17.784 96 HE1 MET 1 HE1 MET 1 7.107 -4.219 -21.544 97 HE2 MET 1 HE2 MET 1 6.910 -2.924 -20.363 98 HE3 MET 1 HE3 MET 1 5.791 -4.291 -20.372 99 H GLU 2 HN GLU 2 9.238 -2.804 -14.255 100 HA GLU 2 HA GLU 2 7.554 -0.381 -14.561 101 HB2 GLU 2 HB2 GLU 2 8.218 -1.109 -12.221 102 HB3 GLU 2 HB1 GLU 2 9.889 -0.766 -12.655 103 HG2 GLU 2 HG2 GLU 2 9.266 1.589 -13.113 104 HG3 GLU 2 HG1 GLU 2 7.604 1.225 -12.626 105 H LEU 3 HN LEU 3 8.195 1.096 -15.985 106 HA LEU 3 HA LEU 3 10.783 0.741 -17.368 107 HB2 LEU 3 HB2 LEU 3 8.291 2.225 -18.277 108 HB3 LEU 3 HB1 LEU 3 9.703 1.828 -19.253 109 HG LEU 3 HG LEU 3 7.879 -0.289 -18.046 110 HD11 LEU 3 HD11 LEU 3 7.778 0.904 -20.823 111 HD12 LEU 3 HD12 LEU 3 6.577 1.112 -19.541 112 HD13 LEU 3 HD13 LEU 3 6.844 -0.481 -20.245 113 HD21 LEU 3 HD21 LEU 3 10.142 -1.081 -18.641 114 HD22 LEU 3 HD22 LEU 3 9.927 -0.478 -20.286 115 HD23 LEU 3 HD23 LEU 3 8.910 -1.791 -19.683 116 H GLU 4 HN GLU 4 12.169 2.479 -17.705 117 HA GLU 4 HA GLU 4 11.731 4.943 -16.189 118 HB2 GLU 4 HB2 GLU 4 13.968 3.868 -16.099 119 HB3 GLU 4 HB1 GLU 4 14.113 4.000 -17.850 120 HG2 GLU 4 HG2 GLU 4 14.056 6.486 -17.635 121 HG3 GLU 4 HG1 GLU 4 13.997 6.306 -15.880 122 H LEU 5 HN LEU 5 10.165 6.129 -17.302 123 HA LEU 5 HA LEU 5 10.310 6.367 -20.215 124 HB2 LEU 5 HB2 LEU 5 8.221 7.475 -18.314 125 HB3 LEU 5 HB1 LEU 5 8.122 7.429 -20.072 126 HG LEU 5 HG LEU 5 8.001 5.073 -18.153 127 HD11 LEU 5 HD11 LEU 5 5.947 6.365 -18.374 128 HD12 LEU 5 HD12 LEU 5 5.770 4.764 -19.085 129 HD13 LEU 5 HD13 LEU 5 5.988 6.171 -20.130 130 HD21 LEU 5 HD21 LEU 5 7.744 3.612 -20.121 131 HD22 LEU 5 HD22 LEU 5 9.330 4.375 -20.084 132 HD23 LEU 5 HD23 LEU 5 8.090 4.975 -21.191 133 H ARG 6 HN ARG 6 11.728 7.773 -20.854 134 HA ARG 6 HA ARG 6 12.253 10.234 -19.362 135 HB2 ARG 6 HB2 ARG 6 13.788 9.203 -21.789 136 HB3 ARG 6 HB1 ARG 6 14.333 10.333 -20.547 137 HG2 ARG 6 HG2 ARG 6 14.135 8.370 -18.893 138 HG3 ARG 6 HG1 ARG 6 13.938 7.333 -20.308 139 HD2 ARG 6 HD2 ARG 6 16.247 7.251 -19.643 140 HD3 ARG 6 HD1 ARG 6 16.163 8.189 -21.139 141 HE ARG 6 HE ARG 6 16.266 10.217 -19.698 142 HH11 ARG 6 HH11 ARG 6 17.550 7.202 -18.427 143 HH12 ARG 6 HH12 ARG 6 18.630 7.996 -17.327 144 HH21 ARG 6 HH21 ARG 6 17.649 11.228 -18.194 145 HH22 ARG 6 HH22 ARG 6 18.689 10.264 -17.201 146 H PHE 7 HN PHE 7 11.166 11.964 -19.956 147 HA PHE 7 HA PHE 7 10.142 12.320 -22.713 148 HB2 PHE 7 HB2 PHE 7 9.273 13.662 -20.099 149 HB3 PHE 7 HB1 PHE 7 8.560 13.949 -21.685 150 HD1 PHE 7 HD1 PHE 7 7.140 12.246 -22.758 151 HD2 PHE 7 HD2 PHE 7 8.798 11.603 -18.870 152 HE1 PHE 7 HE1 PHE 7 5.601 10.365 -22.405 153 HE2 PHE 7 HE2 PHE 7 7.269 9.719 -18.546 154 HZ PHE 7 HZ PHE 7 5.674 9.095 -20.300 155 H PHE 8 HN PHE 8 10.815 14.010 -23.892 156 HA PHE 8 HA PHE 8 12.590 16.028 -22.658 157 HB2 PHE 8 HB2 PHE 8 13.014 14.662 -25.357 158 HB3 PHE 8 HB1 PHE 8 14.021 15.942 -24.681 159 HD1 PHE 8 HD1 PHE 8 15.251 15.472 -22.460 160 HD2 PHE 8 HD2 PHE 8 13.493 12.380 -24.837 161 HE1 PHE 8 HE1 PHE 8 16.626 13.791 -21.301 162 HE2 PHE 8 HE2 PHE 8 14.864 10.717 -23.684 163 HZ PHE 8 HZ PHE 8 16.433 11.407 -21.904 164 H ALA 9 HN ALA 9 12.743 18.003 -23.853 165 HA ALA 9 HA ALA 9 11.966 19.852 -24.800 166 HB1 ALA 9 HB1 ALA 9 11.139 19.691 -27.087 167 HB2 ALA 9 HB2 ALA 9 10.777 17.983 -26.848 168 HB3 ALA 9 HB3 ALA 9 12.450 18.537 -26.827 169 H THR 10 HN THR 10 9.109 19.103 -26.390 170 HA THR 10 HA THR 10 7.466 20.566 -24.605 171 HB THR 10 HB THR 10 6.763 18.920 -27.071 172 HG1 THR 10 HG1 THR 10 6.915 21.743 -26.929 173 HG21 THR 10 HG21 THR 10 4.729 19.282 -25.752 174 HG22 THR 10 HG22 THR 10 4.704 20.311 -27.185 175 HG23 THR 10 HG23 THR 10 5.098 21.002 -25.609 176 H PHE 11 HN PHE 11 7.662 17.080 -25.460 177 HA PHE 11 HA PHE 11 5.470 16.151 -23.924 178 HB2 PHE 11 HB2 PHE 11 8.023 14.777 -24.850 179 HB3 PHE 11 HB1 PHE 11 6.832 13.915 -23.888 180 HD1 PHE 11 HD1 PHE 11 5.255 16.242 -26.157 181 HD2 PHE 11 HD2 PHE 11 7.001 12.343 -25.935 182 HE1 PHE 11 HE1 PHE 11 4.076 15.573 -28.201 183 HE2 PHE 11 HE2 PHE 11 5.800 11.694 -27.976 184 HZ PHE 11 HZ PHE 11 4.329 13.302 -29.102 185 H ARG 12 HN ARG 12 8.720 17.065 -22.993 186 HA ARG 12 HA ARG 12 8.833 15.823 -20.463 187 HB2 ARG 12 HB2 ARG 12 10.828 16.741 -21.603 188 HB3 ARG 12 HB1 ARG 12 10.230 18.364 -21.322 189 HG2 ARG 12 HG2 ARG 12 10.274 17.759 -18.807 190 HG3 ARG 12 HG1 ARG 12 11.206 16.343 -19.290 191 HD2 ARG 12 HD2 ARG 12 12.810 17.946 -18.646 192 HD3 ARG 12 HD1 ARG 12 12.825 17.991 -20.414 193 HE ARG 12 HE ARG 12 11.133 19.910 -18.982 194 HH11 ARG 12 HH11 ARG 12 14.003 19.416 -20.947 195 HH12 ARG 12 HH12 ARG 12 14.308 21.113 -21.116 196 HH21 ARG 12 HH21 ARG 12 11.547 22.101 -19.210 197 HH22 ARG 12 HH22 ARG 12 12.911 22.637 -20.137 198 H GLU 13 HN GLU 13 7.907 19.155 -21.425 199 HA GLU 13 HA GLU 13 7.373 19.966 -18.715 200 HB2 GLU 13 HB2 GLU 13 6.637 22.136 -19.695 201 HB3 GLU 13 HB1 GLU 13 8.238 21.638 -20.211 202 HG2 GLU 13 HG2 GLU 13 7.290 22.522 -22.152 203 HG3 GLU 13 HG1 GLU 13 7.094 20.785 -22.363 204 H VAL 14 HN VAL 14 5.435 18.741 -21.331 205 HA VAL 14 HA VAL 14 2.836 19.133 -20.333 206 HB VAL 14 HB VAL 14 4.044 16.873 -21.979 207 HG11 VAL 14 HG11 VAL 14 1.122 17.246 -21.235 208 HG12 VAL 14 HG12 VAL 14 2.163 15.885 -20.807 209 HG13 VAL 14 HG13 VAL 14 1.709 16.151 -22.488 210 HG21 VAL 14 HG21 VAL 14 3.913 19.058 -23.123 211 HG22 VAL 14 HG22 VAL 14 2.183 19.149 -22.776 212 HG23 VAL 14 HG23 VAL 14 2.803 17.895 -23.854 213 H VAL 15 HN VAL 15 5.061 16.409 -19.823 214 HA VAL 15 HA VAL 15 3.463 15.163 -17.788 215 HB VAL 15 HB VAL 15 6.341 14.639 -18.674 216 HG11 VAL 15 HG11 VAL 15 4.544 12.867 -16.972 217 HG12 VAL 15 HG12 VAL 15 5.972 13.731 -16.402 218 HG13 VAL 15 HG13 VAL 15 6.143 12.431 -17.583 219 HG21 VAL 15 HG21 VAL 15 5.371 12.745 -19.950 220 HG22 VAL 15 HG22 VAL 15 4.699 14.288 -20.481 221 HG23 VAL 15 HG23 VAL 15 3.751 13.228 -19.436 222 H GLY 16 HN GLY 16 5.747 17.710 -17.876 223 HA2 GLY 16 HA2 GLY 16 6.739 19.056 -16.310 224 HA3 GLY 16 HA1 GLY 16 5.697 18.345 -15.098 225 H GLN 17 HN GLN 17 7.622 16.180 -16.927 226 HA GLN 17 HA GLN 17 9.579 15.756 -14.797 227 HB2 GLN 17 HB2 GLN 17 7.617 13.559 -15.586 228 HB3 GLN 17 HB1 GLN 17 8.862 13.477 -14.348 229 HG2 GLN 17 HG2 GLN 17 7.599 15.136 -12.995 230 HG3 GLN 17 HG1 GLN 17 6.372 15.210 -14.235 231 HE21 GLN 17 HE21 GLN 17 6.132 12.463 -14.817 232 HE22 GLN 17 HE22 GLN 17 5.435 11.687 -13.449 233 H LYS 18 HN LYS 18 11.406 14.616 -15.576 234 HA LYS 18 HA LYS 18 11.562 14.610 -18.527 235 HB2 LYS 18 HB2 LYS 18 13.957 15.002 -18.267 236 HB3 LYS 18 HB1 LYS 18 13.027 16.206 -17.384 237 HG2 LYS 18 HG2 LYS 18 13.507 15.086 -15.264 238 HG3 LYS 18 HG1 LYS 18 14.360 13.788 -16.107 239 HD2 LYS 18 HD2 LYS 18 15.177 16.721 -16.047 240 HD3 LYS 18 HD1 LYS 18 15.930 15.422 -15.122 241 HE2 LYS 18 HE2 LYS 18 16.630 14.337 -17.246 242 HE3 LYS 18 HE1 LYS 18 15.893 15.656 -18.154 243 HZ1 LYS 18 HZ1 LYS 18 17.442 17.169 -17.016 244 HZ2 LYS 18 HZ2 LYS 18 18.218 16.019 -17.982 245 HZ3 LYS 18 HZ3 LYS 18 18.191 15.837 -16.302 246 H SER 19 HN SER 19 12.186 12.519 -15.747 247 HA SER 19 HA SER 19 12.180 10.174 -17.486 248 HB2 SER 19 HB2 SER 19 14.479 10.414 -15.496 249 HB3 SER 19 HB1 SER 19 14.248 9.189 -16.732 250 HG SER 19 HG SER 19 14.379 11.278 -18.150 251 H ILE 20 HN ILE 20 10.669 8.964 -16.470 252 HA ILE 20 HA ILE 20 10.404 9.047 -13.515 253 HB ILE 20 HB ILE 20 7.964 8.849 -13.780 254 HG12 ILE 20 HG12 ILE 20 8.518 9.036 -16.782 255 HG13 ILE 20 HG11 ILE 20 7.897 7.616 -15.940 256 HG21 ILE 20 HG21 ILE 20 7.512 11.106 -14.661 257 HG22 ILE 20 HG22 ILE 20 9.109 11.135 -15.414 258 HG23 ILE 20 HG23 ILE 20 8.961 11.091 -13.654 259 HD11 ILE 20 HD11 ILE 20 6.131 8.755 -17.134 260 HD12 ILE 20 HD12 ILE 20 6.455 10.250 -16.258 261 HD13 ILE 20 HD13 ILE 20 5.838 8.837 -15.397 262 H TYR 21 HN TYR 21 9.162 7.152 -12.672 263 HA TYR 21 HA TYR 21 9.687 4.671 -14.198 264 HB2 TYR 21 HB2 TYR 21 9.627 5.246 -11.224 265 HB3 TYR 21 HB1 TYR 21 9.366 3.620 -11.827 266 HD1 TYR 21 HD1 TYR 21 11.716 4.987 -14.099 267 HD2 TYR 21 HD2 TYR 21 11.391 3.600 -10.058 268 HE1 TYR 21 HE1 TYR 21 14.136 4.563 -14.031 269 HE2 TYR 21 HE2 TYR 21 13.800 3.181 -10.003 270 HH TYR 21 HH TYR 21 15.651 2.821 -11.443 271 H TRP 22 HN TRP 22 7.979 3.614 -14.914 272 HA TRP 22 HA TRP 22 5.252 4.265 -13.928 273 HB2 TRP 22 HB2 TRP 22 6.403 4.618 -16.565 274 HB3 TRP 22 HB1 TRP 22 5.211 3.340 -16.693 275 HD1 TRP 22 HD1 TRP 22 5.126 6.792 -14.862 276 HE1 TRP 22 HE1 TRP 22 3.024 8.023 -15.655 277 HE3 TRP 22 HE3 TRP 22 3.281 3.270 -18.049 278 HZ2 TRP 22 HZ2 TRP 22 0.866 7.588 -17.454 279 HZ3 TRP 22 HZ3 TRP 22 1.184 3.734 -19.252 280 HH2 TRP 22 HH2 TRP 22 0.001 5.846 -18.943 281 H ARG 23 HN ARG 23 4.247 2.538 -13.131 282 HA ARG 23 HA ARG 23 5.292 -0.160 -13.529 283 HB2 ARG 23 HB2 ARG 23 4.454 0.618 -11.275 284 HB3 ARG 23 HB1 ARG 23 2.833 0.722 -11.948 285 HG2 ARG 23 HG2 ARG 23 2.765 -1.386 -10.966 286 HG3 ARG 23 HG1 ARG 23 3.228 -1.793 -12.618 287 HD2 ARG 23 HD2 ARG 23 4.743 -3.071 -11.418 288 HD3 ARG 23 HD1 ARG 23 5.687 -1.604 -11.669 289 HE ARG 23 HE ARG 23 5.255 -0.966 -9.410 290 HH11 ARG 23 HH11 ARG 23 4.232 -4.242 -10.152 291 HH12 ARG 23 HH12 ARG 23 4.088 -4.715 -8.494 292 HH21 ARG 23 HH21 ARG 23 5.097 -1.598 -7.230 293 HH22 ARG 23 HH22 ARG 23 4.629 -3.220 -6.836 294 H VAL 24 HN VAL 24 4.800 -0.983 -15.507 295 HA VAL 24 HA VAL 24 1.956 -1.050 -16.358 296 HB VAL 24 HB VAL 24 2.684 -1.334 -18.674 297 HG11 VAL 24 HG11 VAL 24 2.403 0.991 -17.920 298 HG12 VAL 24 HG12 VAL 24 3.669 0.888 -19.145 299 HG13 VAL 24 HG13 VAL 24 4.102 1.061 -17.441 300 HG21 VAL 24 HG21 VAL 24 4.765 -2.592 -18.316 301 HG22 VAL 24 HG22 VAL 24 5.552 -1.151 -17.669 302 HG23 VAL 24 HG23 VAL 24 5.062 -1.204 -19.366 303 H ASP 25 HN ASP 25 1.709 -3.101 -17.899 304 HA ASP 25 HA ASP 25 2.307 -5.481 -16.353 305 HB2 ASP 25 HB2 ASP 25 0.930 -5.146 -19.060 306 HB3 ASP 25 HB1 ASP 25 1.015 -6.653 -18.145 307 H ASP 26 HN ASP 26 3.406 -7.326 -17.188 308 HA ASP 26 HA ASP 26 5.712 -7.019 -18.791 309 HB2 ASP 26 HB2 ASP 26 5.644 -8.854 -17.239 310 HB3 ASP 26 HB1 ASP 26 4.117 -9.443 -17.879 311 H ASP 27 HN ASP 27 2.384 -7.585 -19.561 312 HA ASP 27 HA ASP 27 2.708 -8.608 -22.244 313 HB2 ASP 27 HB2 ASP 27 0.783 -9.261 -20.869 314 HB3 ASP 27 HB1 ASP 27 0.304 -7.584 -20.661 315 H ALA 28 HN ALA 28 2.502 -5.507 -20.712 316 HA ALA 28 HA ALA 28 1.610 -3.927 -22.926 317 HB1 ALA 28 HB1 ALA 28 3.140 -3.097 -20.429 318 HB2 ALA 28 HB2 ALA 28 1.385 -3.152 -20.597 319 HB3 ALA 28 HB3 ALA 28 2.324 -2.003 -21.554 320 H THR 29 HN THR 29 2.866 -2.562 -24.246 321 HA THR 29 HA THR 29 5.811 -2.770 -24.223 322 HB THR 29 HB THR 29 5.898 -2.900 -26.708 323 HG1 THR 29 HG1 THR 29 3.061 -3.101 -26.383 324 HG21 THR 29 HG21 THR 29 4.330 -5.207 -25.490 325 HG22 THR 29 HG22 THR 29 6.087 -5.022 -25.475 326 HG23 THR 29 HG23 THR 29 5.236 -5.268 -27.003 327 H VAL 30 HN VAL 30 6.426 -1.051 -26.267 328 HA VAL 30 HA VAL 30 6.246 1.457 -25.095 329 HB VAL 30 HB VAL 30 6.757 0.878 -28.051 330 HG11 VAL 30 HG11 VAL 30 7.934 3.062 -28.131 331 HG12 VAL 30 HG12 VAL 30 7.456 3.385 -26.461 332 HG13 VAL 30 HG13 VAL 30 6.229 3.268 -27.723 333 HG21 VAL 30 HG21 VAL 30 8.750 1.186 -25.770 334 HG22 VAL 30 HG22 VAL 30 9.157 0.976 -27.476 335 HG23 VAL 30 HG23 VAL 30 8.341 -0.319 -26.601 336 H GLY 31 HN GLY 31 4.111 0.002 -27.471 337 HA2 GLY 31 HA2 GLY 31 2.650 2.295 -28.263 338 HA3 GLY 31 HA1 GLY 31 2.158 0.620 -28.459 339 H ASP 32 HN ASP 32 1.947 -0.287 -25.929 340 HA ASP 32 HA ASP 32 -0.494 0.665 -24.918 341 HB2 ASP 32 HB2 ASP 32 1.643 -0.993 -23.494 342 HB3 ASP 32 HB1 ASP 32 -0.026 -0.801 -22.947 343 H VAL 33 HN VAL 33 2.830 1.384 -24.097 344 HA VAL 33 HA VAL 33 2.485 2.799 -21.674 345 HB VAL 33 HB VAL 33 4.668 2.859 -23.797 346 HG11 VAL 33 HG11 VAL 33 4.757 4.196 -21.072 347 HG12 VAL 33 HG12 VAL 33 4.793 5.008 -22.640 348 HG13 VAL 33 HG13 VAL 33 6.139 3.980 -22.146 349 HG21 VAL 33 HG21 VAL 33 5.934 1.494 -22.189 350 HG22 VAL 33 HG22 VAL 33 4.400 0.722 -22.597 351 HG23 VAL 33 HG23 VAL 33 4.581 1.558 -21.053 352 H LEU 34 HN LEU 34 3.075 4.128 -24.979 353 HA LEU 34 HA LEU 34 2.508 6.791 -24.126 354 HB2 LEU 34 HB2 LEU 34 2.546 7.332 -26.649 355 HB3 LEU 34 HB1 LEU 34 4.010 6.794 -25.864 356 HG LEU 34 HG LEU 34 3.497 4.473 -26.858 357 HD11 LEU 34 HD11 LEU 34 1.663 6.062 -28.646 358 HD12 LEU 34 HD12 LEU 34 1.176 4.815 -27.492 359 HD13 LEU 34 HD13 LEU 34 2.166 4.385 -28.885 360 HD21 LEU 34 HD21 LEU 34 4.573 5.044 -29.001 361 HD22 LEU 34 HD22 LEU 34 5.332 5.886 -27.651 362 HD23 LEU 34 HD23 LEU 34 4.226 6.754 -28.718 363 H ARG 35 HN ARG 35 0.502 4.274 -25.528 364 HA ARG 35 HA ARG 35 -1.845 5.695 -26.030 365 HB2 ARG 35 HB2 ARG 35 -1.837 3.408 -26.656 366 HB3 ARG 35 HB1 ARG 35 -1.323 2.869 -25.069 367 HG2 ARG 35 HG2 ARG 35 -3.687 2.265 -25.688 368 HG3 ARG 35 HG1 ARG 35 -3.522 3.121 -24.152 369 HD2 ARG 35 HD2 ARG 35 -4.152 5.229 -25.270 370 HD3 ARG 35 HD1 ARG 35 -4.419 4.350 -26.790 371 HE ARG 35 HE ARG 35 -6.052 3.067 -25.065 372 HH11 ARG 35 HH11 ARG 35 -5.669 6.508 -25.741 373 HH12 ARG 35 HH12 ARG 35 -7.318 6.879 -25.360 374 HH21 ARG 35 HH21 ARG 35 -8.211 3.597 -24.561 375 HH22 ARG 35 HH22 ARG 35 -8.748 5.236 -24.687 376 H SER 36 HN SER 36 -0.722 4.305 -22.963 377 HA SER 36 HA SER 36 -2.979 5.279 -21.478 378 HB2 SER 36 HB2 SER 36 -0.356 4.076 -20.561 379 HB3 SER 36 HB1 SER 36 -1.746 4.409 -19.527 380 HG SER 36 HG SER 36 -1.586 2.596 -21.688 381 H LEU 37 HN LEU 37 0.257 6.488 -22.164 382 HA LEU 37 HA LEU 37 0.497 8.482 -20.219 383 HB2 LEU 37 HB2 LEU 37 1.825 7.899 -22.799 384 HB3 LEU 37 HB1 LEU 37 1.796 9.604 -22.434 385 HG LEU 37 HG LEU 37 3.874 8.790 -21.644 386 HD11 LEU 37 HD11 LEU 37 2.080 9.048 -19.210 387 HD12 LEU 37 HD12 LEU 37 2.800 10.380 -20.119 388 HD13 LEU 37 HD13 LEU 37 3.836 9.255 -19.246 389 HD21 LEU 37 HD21 LEU 37 4.129 6.931 -20.066 390 HD22 LEU 37 HD22 LEU 37 3.464 6.432 -21.615 391 HD23 LEU 37 HD23 LEU 37 2.407 6.582 -20.213 392 H GLU 38 HN GLU 38 -1.152 8.647 -23.399 393 HA GLU 38 HA GLU 38 -1.878 11.431 -23.083 394 HB2 GLU 38 HB2 GLU 38 -3.485 10.988 -24.993 395 HB3 GLU 38 HB1 GLU 38 -1.794 10.679 -25.331 396 HG2 GLU 38 HG2 GLU 38 -2.085 8.341 -25.342 397 HG3 GLU 38 HG1 GLU 38 -3.635 8.439 -24.510 398 H ALA 39 HN ALA 39 -3.322 8.380 -22.169 399 HA ALA 39 HA ALA 39 -5.955 9.277 -21.594 400 HB1 ALA 39 HB1 ALA 39 -4.384 6.981 -20.363 401 HB2 ALA 39 HB2 ALA 39 -5.372 6.894 -21.823 402 HB3 ALA 39 HB3 ALA 39 -6.138 7.200 -20.263 403 H GLU 40 HN GLU 40 -2.951 9.237 -19.764 404 HA GLU 40 HA GLU 40 -4.024 10.272 -17.291 405 HB2 GLU 40 HB2 GLU 40 -1.146 10.252 -18.287 406 HB3 GLU 40 HB1 GLU 40 -1.668 10.507 -16.622 407 HG2 GLU 40 HG2 GLU 40 -1.988 7.948 -18.204 408 HG3 GLU 40 HG1 GLU 40 -0.710 8.303 -17.056 409 H TYR 41 HN TYR 41 -1.930 11.567 -19.858 410 HA TYR 41 HA TYR 41 -2.077 14.246 -18.712 411 HB2 TYR 41 HB2 TYR 41 -0.072 12.961 -20.607 412 HB3 TYR 41 HB1 TYR 41 -0.035 14.673 -20.192 413 HD1 TYR 41 HD1 TYR 41 0.539 15.390 -17.876 414 HD2 TYR 41 HD2 TYR 41 0.696 11.266 -18.998 415 HE1 TYR 41 HE1 TYR 41 1.877 14.904 -15.869 416 HE2 TYR 41 HE2 TYR 41 2.025 10.776 -16.981 417 HH TYR 41 HH TYR 41 2.414 13.052 -14.417 418 H ASP 42 HN ASP 42 -3.297 15.731 -19.673 419 HA ASP 42 HA ASP 42 -4.779 15.374 -22.052 420 HB2 ASP 42 HB2 ASP 42 -5.518 16.854 -20.201 421 HB3 ASP 42 HB1 ASP 42 -4.168 17.938 -20.515 422 H GLY 43 HN GLY 43 -1.775 17.091 -21.343 423 HA2 GLY 43 HA2 GLY 43 -1.486 18.530 -23.765 424 HA3 GLY 43 HA1 GLY 43 -0.210 18.173 -22.609 425 H LEU 44 HN LEU 44 -0.964 15.177 -23.092 426 HA LEU 44 HA LEU 44 0.865 14.776 -25.375 427 HB2 LEU 44 HB2 LEU 44 -0.140 12.913 -23.179 428 HB3 LEU 44 HB1 LEU 44 0.779 12.334 -24.556 429 HG LEU 44 HG LEU 44 1.773 14.287 -22.460 430 HD11 LEU 44 HD11 LEU 44 2.550 11.402 -22.938 431 HD12 LEU 44 HD12 LEU 44 1.633 12.038 -21.569 432 HD13 LEU 44 HD13 LEU 44 3.317 12.504 -21.788 433 HD21 LEU 44 HD21 LEU 44 3.237 13.146 -24.859 434 HD22 LEU 44 HD22 LEU 44 3.976 14.096 -23.563 435 HD23 LEU 44 HD23 LEU 44 2.767 14.831 -24.610 436 H ALA 45 HN ALA 45 -2.492 14.825 -24.831 437 HA ALA 45 HA ALA 45 -3.383 12.444 -26.026 438 HB1 ALA 45 HB1 ALA 45 -4.817 13.889 -24.639 439 HB2 ALA 45 HB2 ALA 45 -5.577 13.542 -26.194 440 HB3 ALA 45 HB3 ALA 45 -4.830 15.118 -25.910 441 H GLY 46 HN GLY 46 -3.213 11.718 -28.015 442 HA2 GLY 46 HA2 GLY 46 -3.678 11.611 -30.284 443 HA3 GLY 46 HA1 GLY 46 -3.843 13.356 -30.345 444 H ARG 47 HN ARG 47 -1.075 13.533 -28.957 445 HA ARG 47 HA ARG 47 0.292 13.817 -31.550 446 HB2 ARG 47 HB2 ARG 47 1.731 15.406 -30.428 447 HB3 ARG 47 HB1 ARG 47 0.060 15.762 -30.010 448 HG2 ARG 47 HG2 ARG 47 0.466 14.455 -27.869 449 HG3 ARG 47 HG1 ARG 47 2.177 14.451 -28.295 450 HD2 ARG 47 HD2 ARG 47 0.413 16.840 -27.724 451 HD3 ARG 47 HD1 ARG 47 1.772 16.253 -26.770 452 HE ARG 47 HE ARG 47 2.687 16.910 -29.349 453 HH11 ARG 47 HH11 ARG 47 1.502 18.498 -26.444 454 HH12 ARG 47 HH12 ARG 47 2.307 19.994 -26.785 455 HH21 ARG 47 HH21 ARG 47 3.727 18.865 -29.794 456 HH22 ARG 47 HH22 ARG 47 3.575 20.197 -28.699 457 H LEU 48 HN LEU 48 0.202 11.396 -29.389 458 HA LEU 48 HA LEU 48 2.974 10.549 -29.960 459 HB2 LEU 48 HB2 LEU 48 3.277 9.605 -27.813 460 HB3 LEU 48 HB1 LEU 48 2.695 11.234 -27.553 461 HG LEU 48 HG LEU 48 1.319 8.596 -26.989 462 HD11 LEU 48 HD11 LEU 48 1.022 9.517 -24.739 463 HD12 LEU 48 HD12 LEU 48 1.805 11.020 -25.243 464 HD13 LEU 48 HD13 LEU 48 2.720 9.513 -25.216 465 HD21 LEU 48 HD21 LEU 48 -0.121 11.232 -27.071 466 HD22 LEU 48 HD22 LEU 48 -0.752 9.703 -26.472 467 HD23 LEU 48 HD23 LEU 48 -0.358 9.880 -28.172 468 H ILE 49 HN ILE 49 -0.180 9.971 -30.605 469 HA ILE 49 HA ILE 49 0.431 7.259 -31.608 470 HB ILE 49 HB ILE 49 -2.195 8.111 -30.331 471 HG12 ILE 49 HG12 ILE 49 -0.369 5.774 -29.711 472 HG13 ILE 49 HG11 ILE 49 -0.513 7.239 -28.748 473 HG21 ILE 49 HG21 ILE 49 -2.732 6.916 -32.434 474 HG22 ILE 49 HG22 ILE 49 -3.160 5.922 -31.043 475 HG23 ILE 49 HG23 ILE 49 -1.687 5.577 -31.952 476 HD11 ILE 49 HD11 ILE 49 -2.737 5.256 -29.236 477 HD12 ILE 49 HD12 ILE 49 -2.794 6.667 -28.173 478 HD13 ILE 49 HD13 ILE 49 -1.713 5.326 -27.809 479 H GLU 50 HN GLU 50 0.163 7.219 -33.806 480 HA GLU 50 HA GLU 50 -2.027 8.678 -35.102 481 HB2 GLU 50 HB2 GLU 50 0.194 10.098 -35.064 482 HB3 GLU 50 HB1 GLU 50 0.771 8.967 -36.267 483 HG2 GLU 50 HG2 GLU 50 -1.672 10.751 -36.550 484 HG3 GLU 50 HG1 GLU 50 -0.082 11.095 -37.220 485 H ASP 51 HN ASP 51 -2.952 7.325 -36.540 486 HA ASP 51 HA ASP 51 -3.377 5.624 -37.998 487 HB2 ASP 51 HB2 ASP 51 -1.552 6.840 -39.258 488 HB3 ASP 51 HB1 ASP 51 -0.381 5.732 -38.567 489 H GLY 52 HN GLY 52 -2.751 5.036 -35.230 490 HA2 GLY 52 HA2 GLY 52 -2.700 3.192 -33.882 491 HA3 GLY 52 HA1 GLY 52 -2.525 2.171 -35.300 492 H GLU 53 HN GLU 53 -0.022 4.054 -35.858 493 HA GLU 53 HA GLU 53 1.910 2.635 -34.147 494 HB2 GLU 53 HB2 GLU 53 3.644 3.410 -35.713 495 HB3 GLU 53 HB1 GLU 53 2.386 2.517 -36.562 496 HG2 GLU 53 HG2 GLU 53 1.527 4.436 -37.585 497 HG3 GLU 53 HG1 GLU 53 2.289 5.534 -36.441 498 H VAL 54 HN VAL 54 4.007 4.401 -34.076 499 HA VAL 54 HA VAL 54 3.309 5.862 -31.794 500 HB VAL 54 HB VAL 54 5.656 6.847 -31.968 501 HG11 VAL 54 HG11 VAL 54 5.241 4.732 -30.771 502 HG12 VAL 54 HG12 VAL 54 6.813 4.694 -31.570 503 HG13 VAL 54 HG13 VAL 54 5.447 3.822 -32.269 504 HG21 VAL 54 HG21 VAL 54 5.828 5.162 -34.516 505 HG22 VAL 54 HG22 VAL 54 7.194 5.956 -33.724 506 HG23 VAL 54 HG23 VAL 54 5.902 6.926 -34.433 507 H LYS 55 HN LYS 55 4.221 7.272 -35.066 508 HA LYS 55 HA LYS 55 2.537 9.217 -35.594 509 HB2 LYS 55 HB2 LYS 55 2.417 10.216 -33.424 510 HB3 LYS 55 HB1 LYS 55 4.150 10.234 -33.219 511 HG2 LYS 55 HG2 LYS 55 3.652 12.481 -33.510 512 HG3 LYS 55 HG1 LYS 55 4.102 12.001 -35.140 513 HD2 LYS 55 HD2 LYS 55 2.111 13.414 -35.207 514 HD3 LYS 55 HD1 LYS 55 1.699 11.781 -35.736 515 HE2 LYS 55 HE2 LYS 55 0.727 11.292 -33.542 516 HE3 LYS 55 HE1 LYS 55 1.224 12.871 -32.941 517 HZ1 LYS 55 HZ1 LYS 55 -0.281 13.920 -34.445 518 HZ2 LYS 55 HZ2 LYS 55 -1.122 12.760 -33.550 519 HZ3 LYS 55 HZ3 LYS 55 -0.698 12.444 -35.155 520 HA PRO 56 HA PRO 56 6.034 10.367 -38.397 521 HB2 PRO 56 HB2 PRO 56 4.650 12.372 -39.714 522 HB3 PRO 56 HB1 PRO 56 4.474 10.656 -40.113 523 HG2 PRO 56 HG2 PRO 56 2.746 12.357 -38.296 524 HG3 PRO 56 HG1 PRO 56 2.232 11.268 -39.593 525 HD2 PRO 56 HD2 PRO 56 2.117 10.444 -37.086 526 HD3 PRO 56 HD1 PRO 56 2.705 9.332 -38.346 527 H HIS 57 HN HIS 57 7.589 11.911 -38.163 528 HA HIS 57 HA HIS 57 8.734 13.782 -37.626 529 HB2 HIS 57 HB2 HIS 57 6.160 14.990 -36.538 530 HB3 HIS 57 HB1 HIS 57 7.702 15.828 -36.616 531 HD1 HIS 57 HD1 HIS 57 8.116 17.164 -38.683 532 HD2 HIS 57 HD2 HIS 57 5.113 14.342 -39.236 533 HE1 HIS 57 HE1 HIS 57 7.116 17.675 -40.930 534 HE2 HIS 57 HE2 HIS 57 5.471 15.813 -41.334 535 H VAL 58 HN VAL 58 6.905 12.043 -35.254 536 HA VAL 58 HA VAL 58 8.229 13.151 -32.940 537 HB VAL 58 HB VAL 58 5.866 11.872 -33.117 538 HG11 VAL 58 HG11 VAL 58 6.775 9.676 -33.799 539 HG12 VAL 58 HG12 VAL 58 5.892 9.581 -32.275 540 HG13 VAL 58 HG13 VAL 58 7.656 9.574 -32.271 541 HG21 VAL 58 HG21 VAL 58 5.881 11.506 -30.682 542 HG22 VAL 58 HG22 VAL 58 6.650 13.034 -31.112 543 HG23 VAL 58 HG23 VAL 58 7.643 11.642 -30.672 544 H ASN 59 HN ASN 59 9.995 12.309 -31.841 545 HA ASN 59 HA ASN 59 11.429 10.039 -33.112 546 HB2 ASN 59 HB2 ASN 59 12.551 12.310 -31.412 547 HB3 ASN 59 HB1 ASN 59 13.494 11.005 -32.127 548 HD21 ASN 59 HD21 ASN 59 13.810 10.981 -34.378 549 HD22 ASN 59 HD22 ASN 59 13.586 12.395 -35.342 550 H VAL 60 HN VAL 60 10.825 8.292 -32.003 551 HA VAL 60 HA VAL 60 10.849 8.374 -29.038 552 HB VAL 60 HB VAL 60 9.326 6.291 -29.253 553 HG11 VAL 60 HG11 VAL 60 8.179 9.021 -30.016 554 HG12 VAL 60 HG12 VAL 60 8.530 8.482 -28.371 555 HG13 VAL 60 HG13 VAL 60 7.269 7.680 -29.312 556 HG21 VAL 60 HG21 VAL 60 8.844 7.468 -32.022 557 HG22 VAL 60 HG22 VAL 60 7.909 6.170 -31.276 558 HG23 VAL 60 HG23 VAL 60 9.604 5.912 -31.677 559 H LEU 61 HN LEU 61 11.790 6.685 -27.957 560 HA LEU 61 HA LEU 61 13.824 5.155 -29.431 561 HB2 LEU 61 HB2 LEU 61 14.346 7.000 -27.085 562 HB3 LEU 61 HB1 LEU 61 15.508 5.835 -27.677 563 HG LEU 61 HG LEU 61 15.480 7.164 -29.866 564 HD11 LEU 61 HD11 LEU 61 14.091 9.232 -28.199 565 HD12 LEU 61 HD12 LEU 61 13.456 8.426 -29.631 566 HD13 LEU 61 HD13 LEU 61 14.831 9.509 -29.775 567 HD21 LEU 61 HD21 LEU 61 17.348 7.271 -28.286 568 HD22 LEU 61 HD22 LEU 61 16.526 8.552 -27.390 569 HD23 LEU 61 HD23 LEU 61 17.072 8.839 -29.044 570 H LYS 62 HN LYS 62 14.358 3.246 -28.504 571 HA LYS 62 HA LYS 62 13.386 2.540 -25.821 572 HB2 LYS 62 HB2 LYS 62 12.770 0.905 -27.487 573 HB3 LYS 62 HB1 LYS 62 14.376 0.908 -28.202 574 HG2 LYS 62 HG2 LYS 62 13.965 -1.133 -26.961 575 HG3 LYS 62 HG1 LYS 62 15.282 -0.216 -26.229 576 HD2 LYS 62 HD2 LYS 62 13.510 0.703 -24.611 577 HD3 LYS 62 HD1 LYS 62 12.432 -0.542 -25.260 578 HE2 LYS 62 HE2 LYS 62 15.076 -0.982 -23.851 579 HE3 LYS 62 HE1 LYS 62 13.465 -1.315 -23.227 580 HZ1 LYS 62 HZ1 LYS 62 14.816 -2.711 -25.459 581 HZ2 LYS 62 HZ2 LYS 62 13.205 -2.963 -25.023 582 HZ3 LYS 62 HZ3 LYS 62 14.441 -3.342 -23.935 583 H ASN 63 HN ASN 63 14.854 3.402 -24.454 584 HA ASN 63 HA ASN 63 16.733 3.687 -23.236 585 HB2 ASN 63 HB2 ASN 63 16.305 1.107 -23.284 586 HB3 ASN 63 HB1 ASN 63 17.690 1.024 -24.364 587 HD21 ASN 63 HD21 ASN 63 19.783 1.480 -23.512 588 HD22 ASN 63 HD22 ASN 63 20.080 1.500 -21.809 589 H GLY 64 HN GLY 64 16.829 5.069 -25.613 590 HA2 GLY 64 HA2 GLY 64 18.439 6.517 -26.501 591 HA3 GLY 64 HA1 GLY 64 19.706 5.394 -26.050 592 H ARG 65 HN ARG 65 17.746 3.336 -27.513 593 HA ARG 65 HA ARG 65 18.851 3.736 -30.220 594 HB2 ARG 65 HB2 ARG 65 19.178 1.508 -28.987 595 HB3 ARG 65 HB1 ARG 65 17.444 1.247 -29.139 596 HG2 ARG 65 HG2 ARG 65 18.464 0.040 -30.935 597 HG3 ARG 65 HG1 ARG 65 17.730 1.464 -31.660 598 HD2 ARG 65 HD2 ARG 65 19.895 2.583 -31.736 599 HD3 ARG 65 HD1 ARG 65 20.661 1.222 -30.911 600 HE ARG 65 HE ARG 65 19.566 0.098 -33.139 601 HH11 ARG 65 HH11 ARG 65 21.730 2.834 -32.681 602 HH12 ARG 65 HH12 ARG 65 22.575 2.579 -34.172 603 HH21 ARG 65 HH21 ARG 65 20.667 -0.228 -35.087 604 HH22 ARG 65 HH22 ARG 65 21.961 0.825 -35.549 605 H GLU 66 HN GLU 66 17.525 4.868 -31.489 606 HA GLU 66 HA GLU 66 14.861 5.498 -30.840 607 HB2 GLU 66 HB2 GLU 66 16.671 6.848 -32.140 608 HB3 GLU 66 HB1 GLU 66 16.122 5.966 -33.559 609 HG2 GLU 66 HG2 GLU 66 13.834 6.906 -33.201 610 HG3 GLU 66 HG1 GLU 66 14.448 7.800 -31.818 611 H VAL 67 HN VAL 67 13.069 4.303 -31.131 612 HA VAL 67 HA VAL 67 13.146 1.803 -32.544 613 HB VAL 67 HB VAL 67 10.800 1.473 -31.774 614 HG11 VAL 67 HG11 VAL 67 12.768 2.287 -29.614 615 HG12 VAL 67 HG12 VAL 67 12.646 0.705 -30.391 616 HG13 VAL 67 HG13 VAL 67 11.327 1.291 -29.372 617 HG21 VAL 67 HG21 VAL 67 9.778 3.065 -30.182 618 HG22 VAL 67 HG22 VAL 67 10.026 3.821 -31.756 619 HG23 VAL 67 HG23 VAL 67 11.122 4.188 -30.423 620 H VAL 68 HN VAL 68 12.493 4.857 -33.762 621 HA VAL 68 HA VAL 68 10.374 4.178 -35.588 622 HB VAL 68 HB VAL 68 10.861 6.270 -36.751 623 HG11 VAL 68 HG11 VAL 68 9.569 6.432 -34.661 624 HG12 VAL 68 HG12 VAL 68 10.549 7.878 -34.909 625 HG13 VAL 68 HG13 VAL 68 11.062 6.658 -33.741 626 HG21 VAL 68 HG21 VAL 68 13.316 6.203 -36.782 627 HG22 VAL 68 HG22 VAL 68 13.369 6.470 -35.041 628 HG23 VAL 68 HG23 VAL 68 12.761 7.737 -36.106 629 H HIS 69 HN HIS 69 13.603 3.191 -35.461 630 HA HIS 69 HA HIS 69 13.902 2.726 -38.361 631 HB2 HIS 69 HB2 HIS 69 15.848 2.073 -36.103 632 HB3 HIS 69 HB1 HIS 69 16.201 2.055 -37.829 633 HD1 HIS 69 HD1 HIS 69 15.863 4.551 -38.991 634 HD2 HIS 69 HD2 HIS 69 16.576 4.387 -34.894 635 HE1 HIS 69 HE1 HIS 69 16.597 6.864 -38.344 636 HE2 HIS 69 HE2 HIS 69 16.845 6.790 -35.840 637 H LEU 70 HN LEU 70 12.824 1.157 -35.534 638 HA LEU 70 HA LEU 70 12.668 -1.469 -36.843 639 HB2 LEU 70 HB2 LEU 70 13.122 -2.563 -34.606 640 HB3 LEU 70 HB1 LEU 70 14.508 -1.803 -35.350 641 HG LEU 70 HG LEU 70 12.956 -0.344 -33.179 642 HD11 LEU 70 HD11 LEU 70 15.227 -2.299 -32.685 643 HD12 LEU 70 HD12 LEU 70 13.540 -2.517 -32.212 644 HD13 LEU 70 HD13 LEU 70 14.492 -1.226 -31.486 645 HD21 LEU 70 HD21 LEU 70 15.869 -0.166 -34.057 646 HD22 LEU 70 HD22 LEU 70 15.107 0.795 -32.785 647 HD23 LEU 70 HD23 LEU 70 14.591 0.987 -34.457 648 H ASP 71 HN ASP 71 11.304 -2.680 -34.534 649 HA ASP 71 HA ASP 71 8.645 -1.858 -34.893 650 HB2 ASP 71 HB2 ASP 71 9.959 -3.392 -32.621 651 HB3 ASP 71 HB1 ASP 71 8.217 -3.141 -32.717 652 H GLY 72 HN GLY 72 7.970 0.175 -34.449 653 HA2 GLY 72 HA2 GLY 72 9.027 1.874 -32.430 654 HA3 GLY 72 HA1 GLY 72 7.585 2.169 -33.374 655 H MET 73 HN MET 73 6.029 0.037 -32.720 656 HA MET 73 HA MET 73 4.972 0.992 -30.199 657 HB2 MET 73 HB2 MET 73 3.830 -1.155 -32.035 658 HB3 MET 73 HB1 MET 73 2.976 -0.266 -30.772 659 HG2 MET 73 HG2 MET 73 4.064 0.881 -33.363 660 HG3 MET 73 HG1 MET 73 2.368 0.618 -32.954 661 HE1 MET 73 HE1 MET 73 0.890 2.415 -31.723 662 HE2 MET 73 HE2 MET 73 1.556 3.483 -30.491 663 HE3 MET 73 HE3 MET 73 1.644 1.736 -30.280 664 H ALA 74 HN ALA 74 6.482 -2.020 -31.364 665 HA ALA 74 HA ALA 74 6.421 -3.121 -28.617 666 HB1 ALA 74 HB1 ALA 74 4.415 -3.995 -29.786 667 HB2 ALA 74 HB2 ALA 74 5.558 -5.275 -29.386 668 HB3 ALA 74 HB3 ALA 74 5.448 -4.679 -31.045 669 H THR 75 HN THR 75 8.663 -2.217 -29.107 670 HA THR 75 HA THR 75 10.421 -3.681 -30.789 671 HB THR 75 HB THR 75 11.079 -1.446 -30.352 672 HG1 THR 75 HG1 THR 75 12.816 -2.968 -30.379 673 HG21 THR 75 HG21 THR 75 11.600 -0.528 -28.125 674 HG22 THR 75 HG22 THR 75 11.118 -2.047 -27.367 675 HG23 THR 75 HG23 THR 75 9.915 -1.056 -28.197 676 H ALA 76 HN ALA 76 10.352 -3.691 -27.120 677 HA ALA 76 HA ALA 76 11.283 -6.296 -26.775 678 HB1 ALA 76 HB1 ALA 76 13.186 -5.607 -28.201 679 HB2 ALA 76 HB2 ALA 76 13.729 -6.003 -26.570 680 HB3 ALA 76 HB3 ALA 76 13.574 -4.314 -27.064 681 H LEU 77 HN LEU 77 9.630 -4.501 -25.239 682 HA LEU 77 HA LEU 77 11.190 -3.170 -23.228 683 HB2 LEU 77 HB2 LEU 77 8.224 -3.546 -23.579 684 HB3 LEU 77 HB1 LEU 77 8.869 -2.865 -22.093 685 HG LEU 77 HG LEU 77 8.967 -1.662 -24.878 686 HD11 LEU 77 HD11 LEU 77 6.934 -1.267 -23.547 687 HD12 LEU 77 HD12 LEU 77 7.835 0.218 -23.811 688 HD13 LEU 77 HD13 LEU 77 7.912 -0.592 -22.248 689 HD21 LEU 77 HD21 LEU 77 11.198 -1.361 -23.903 690 HD22 LEU 77 HD22 LEU 77 10.486 -0.673 -22.443 691 HD23 LEU 77 HD23 LEU 77 10.327 0.167 -23.989 692 H ASP 78 HN ASP 78 11.702 -3.749 -21.221 693 HA ASP 78 HA ASP 78 10.537 -6.063 -19.832 694 HB2 ASP 78 HB2 ASP 78 12.620 -6.842 -21.004 695 HB3 ASP 78 HB1 ASP 78 13.533 -5.577 -20.194 696 H ASP 79 HN ASP 79 11.521 -5.950 -17.398 697 HA ASP 79 HA ASP 79 10.848 -3.364 -16.390 698 HB2 ASP 79 HB2 ASP 79 11.157 -4.248 -14.183 699 HB3 ASP 79 HB1 ASP 79 10.407 -5.504 -15.150 700 H GLY 80 HN GLY 80 12.132 -1.824 -15.387 701 HA2 GLY 80 HA2 GLY 80 13.990 -0.519 -15.019 702 HA3 GLY 80 HA1 GLY 80 15.013 -1.874 -15.459 703 H ASP 81 HN ASP 81 13.171 -1.837 -18.083 704 HA ASP 81 HA ASP 81 15.147 -0.589 -19.720 705 HB2 ASP 81 HB2 ASP 81 12.462 -1.859 -20.315 706 HB3 ASP 81 HB1 ASP 81 13.364 -1.042 -21.579 707 H ALA 82 HN ALA 82 15.219 1.365 -20.654 708 HA ALA 82 HA ALA 82 13.273 3.386 -19.851 709 HB1 ALA 82 HB1 ALA 82 15.655 3.910 -19.619 710 HB2 ALA 82 HB2 ALA 82 14.890 5.007 -20.771 711 HB3 ALA 82 HB3 ALA 82 15.902 3.680 -21.355 712 H VAL 83 HN VAL 83 11.876 4.412 -21.215 713 HA VAL 83 HA VAL 83 12.168 4.103 -24.164 714 HB VAL 83 HB VAL 83 9.591 4.808 -22.645 715 HG11 VAL 83 HG11 VAL 83 8.467 4.498 -24.832 716 HG12 VAL 83 HG12 VAL 83 10.024 4.180 -25.595 717 HG13 VAL 83 HG13 VAL 83 9.686 5.775 -24.920 718 HG21 VAL 83 HG21 VAL 83 10.345 2.153 -23.921 719 HG22 VAL 83 HG22 VAL 83 8.761 2.553 -23.254 720 HG23 VAL 83 HG23 VAL 83 10.168 2.467 -22.193 721 H SER 84 HN SER 84 13.241 5.913 -24.777 722 HA SER 84 HA SER 84 12.895 8.505 -23.404 723 HB2 SER 84 HB2 SER 84 14.899 7.521 -25.497 724 HB3 SER 84 HB1 SER 84 14.902 9.144 -24.825 725 HG SER 84 HG SER 84 14.827 7.403 -22.812 726 H VAL 85 HN VAL 85 11.766 10.210 -24.424 727 HA VAL 85 HA VAL 85 10.869 9.819 -27.210 728 HB VAL 85 HB VAL 85 8.595 10.523 -26.700 729 HG11 VAL 85 HG11 VAL 85 9.407 8.220 -24.881 730 HG12 VAL 85 HG12 VAL 85 9.036 8.105 -26.603 731 HG13 VAL 85 HG13 VAL 85 7.770 8.556 -25.460 732 HG21 VAL 85 HG21 VAL 85 9.006 12.009 -24.802 733 HG22 VAL 85 HG22 VAL 85 9.417 10.627 -23.779 734 HG23 VAL 85 HG23 VAL 85 7.771 10.815 -24.393 735 H PHE 86 HN PHE 86 10.864 11.568 -28.406 736 HA PHE 86 HA PHE 86 11.106 14.291 -27.287 737 HB2 PHE 86 HB2 PHE 86 12.174 13.338 -30.004 738 HB3 PHE 86 HB1 PHE 86 12.329 14.953 -29.331 739 HD1 PHE 86 HD2 PHE 86 13.538 11.464 -29.117 740 HD2 PHE 86 HD1 PHE 86 14.106 15.472 -27.717 741 HE1 PHE 86 HE2 PHE 86 15.713 10.845 -28.174 742 HE2 PHE 86 HE1 PHE 86 16.298 14.824 -26.793 743 HZ PHE 86 HZ PHE 86 17.088 12.490 -27.029 744 HA PRO 87 HA PRO 87 7.046 14.727 -29.291 745 HB2 PRO 87 HB2 PRO 87 7.119 17.506 -29.655 746 HB3 PRO 87 HB1 PRO 87 6.712 16.712 -28.132 747 HG2 PRO 87 HG2 PRO 87 9.369 17.777 -29.056 748 HG3 PRO 87 HG1 PRO 87 8.562 18.006 -27.489 749 HD2 PRO 87 HD2 PRO 87 10.500 16.221 -27.698 750 HD3 PRO 87 HD1 PRO 87 9.031 15.799 -26.784 751 HA PRO 88 HA PRO 88 7.457 15.033 -33.740 752 HB2 PRO 88 HB2 PRO 88 5.108 16.898 -33.824 753 HB3 PRO 88 HB1 PRO 88 5.351 15.342 -34.618 754 HG2 PRO 88 HG2 PRO 88 3.695 15.566 -32.515 755 HG3 PRO 88 HG1 PRO 88 4.697 14.115 -32.740 756 HD2 PRO 88 HD2 PRO 88 5.173 16.467 -30.880 757 HD3 PRO 88 HD1 PRO 88 5.388 14.722 -30.588 758 H VAL 89 HN VAL 89 8.812 16.244 -34.873 759 HA VAL 89 HA VAL 89 9.484 18.946 -34.132 760 HB VAL 89 HB VAL 89 10.437 17.252 -36.486 761 HG11 VAL 89 HG11 VAL 89 10.747 19.636 -36.919 762 HG12 VAL 89 HG12 VAL 89 12.312 18.872 -36.629 763 HG13 VAL 89 HG13 VAL 89 11.553 19.841 -35.363 764 HG21 VAL 89 HG21 VAL 89 12.469 16.836 -35.101 765 HG22 VAL 89 HG22 VAL 89 11.017 16.216 -34.315 766 HG23 VAL 89 HG23 VAL 89 11.738 17.730 -33.762 767 H ALA 90 HN ALA 90 7.988 20.404 -34.555 768 HA ALA 90 HA ALA 90 6.630 21.867 -35.573 769 HB1 ALA 90 HB1 ALA 90 6.924 22.396 -37.945 770 HB2 ALA 90 HB2 ALA 90 7.811 20.889 -38.187 771 HB3 ALA 90 HB3 ALA 90 8.492 22.157 -37.168 772 H GLY 91 HN GLY 91 5.907 18.871 -35.324 773 HA2 GLY 91 HA2 GLY 91 3.577 18.744 -37.166 774 HA3 GLY 91 HA1 GLY 91 4.296 17.380 -36.313 775 H GLY 92 HN GLY 92 3.095 20.596 -35.349 776 HA2 GLY 92 HA2 GLY 92 0.728 20.245 -34.197 777 HA3 GLY 92 HA1 GLY 92 1.746 19.469 -32.990 Start of MODEL 9 1 H1 GLY -13 HT1 GLY -13 -3.676 -4.397 -3.874 2 H2 GLY -13 HT2 GLY -13 -5.275 -4.919 -3.690 3 H3 GLY -13 HT3 GLY -13 -4.563 -3.929 -2.517 4 HA2 GLY -13 HA1 GLY -13 -5.172 -3.146 -5.304 5 HA3 GLY -13 HA2 GLY -13 -6.066 -2.652 -3.870 6 H GLY -12 HN GLY -12 -3.932 -1.506 -6.031 7 HA2 GLY -12 HA2 GLY -12 -2.796 0.533 -5.956 8 HA3 GLY -12 HA1 GLY -12 -2.792 0.484 -4.199 9 H GLY -11 HN GLY -11 -1.525 -1.462 -6.928 10 HA2 GLY -11 HA2 GLY -11 1.221 -1.115 -5.960 11 HA3 GLY -11 HA1 GLY -11 0.601 -2.760 -6.006 12 H ARG -10 HN ARG -10 -0.645 -0.721 -8.451 13 HA ARG -10 HA ARG -10 -0.747 -1.098 -10.685 14 HB2 ARG -10 HB2 ARG -10 1.995 0.003 -10.136 15 HB3 ARG -10 HB1 ARG -10 1.601 -0.448 -11.786 16 HG2 ARG -10 HG2 ARG -10 1.159 1.916 -11.505 17 HG3 ARG -10 HG1 ARG -10 -0.368 1.066 -11.741 18 HD2 ARG -10 HD2 ARG -10 -0.597 1.102 -9.172 19 HD3 ARG -10 HD1 ARG -10 0.750 2.249 -9.185 20 HE ARG -10 HE ARG -10 -1.603 2.840 -10.832 21 HH11 ARG -10 HH11 ARG -10 0.229 3.653 -7.935 22 HH12 ARG -10 HH12 ARG -10 -0.652 5.122 -7.660 23 HH21 ARG -10 HH21 ARG -10 -2.763 4.739 -10.432 24 HH22 ARG -10 HH22 ARG -10 -2.335 5.738 -9.080 25 H ASP -9 HN ASP -9 -1.137 -3.293 -10.215 26 HA ASP -9 HA ASP -9 0.821 -5.232 -11.305 27 HB2 ASP -9 HB2 ASP -9 -0.553 -6.910 -9.855 28 HB3 ASP -9 HB1 ASP -9 0.575 -5.841 -9.027 29 H TYR -8 HN TYR -8 -2.482 -4.081 -11.170 30 HA TYR -8 HA TYR -8 -4.210 -4.102 -12.622 31 HB2 TYR -8 HB2 TYR -8 -2.232 -5.438 -14.501 32 HB3 TYR -8 HB1 TYR -8 -3.838 -4.915 -14.970 33 HD1 TYR -8 HD1 TYR -8 -4.380 -2.369 -14.708 34 HD2 TYR -8 HD2 TYR -8 -0.394 -3.910 -14.556 35 HE1 TYR -8 HE1 TYR -8 -3.491 -0.121 -15.133 36 HE2 TYR -8 HE2 TYR -8 0.496 -1.655 -14.992 37 HH TYR -8 HH TYR -8 -0.244 0.473 -15.984 38 H LYS -7 HN LYS -7 -3.396 -6.541 -10.901 39 HA LYS -7 HA LYS -7 -5.154 -8.578 -12.152 40 HB2 LYS -7 HB2 LYS -7 -2.443 -9.074 -10.856 41 HB3 LYS -7 HB1 LYS -7 -3.554 -10.299 -11.422 42 HG2 LYS -7 HG2 LYS -7 -3.164 -9.819 -13.688 43 HG3 LYS -7 HG1 LYS -7 -2.409 -8.273 -13.304 44 HD2 LYS -7 HD2 LYS -7 -0.656 -9.782 -13.946 45 HD3 LYS -7 HD1 LYS -7 -0.517 -9.509 -12.216 46 HE2 LYS -7 HE2 LYS -7 -1.762 -11.968 -13.478 47 HE3 LYS -7 HE1 LYS -7 -0.106 -11.869 -12.896 48 HZ1 LYS -7 HZ1 LYS -7 -1.123 -11.315 -10.671 49 HZ2 LYS -7 HZ2 LYS -7 -1.314 -12.896 -11.217 50 HZ3 LYS -7 HZ3 LYS -7 -2.604 -11.816 -11.319 51 H ASP -6 HN ASP -6 -3.357 -7.641 -9.237 52 HA ASP -6 HA ASP -6 -3.749 -7.662 -7.021 53 HB2 ASP -6 HB2 ASP -6 -5.980 -6.615 -7.781 54 HB3 ASP -6 HB1 ASP -6 -6.696 -8.208 -7.587 55 H ASP -5 HN ASP -5 -4.930 -9.253 -5.222 56 HA ASP -5 HA ASP -5 -5.262 -11.262 -4.293 57 HB2 ASP -5 HB2 ASP -5 -6.720 -11.927 -6.128 58 HB3 ASP -5 HB1 ASP -5 -5.347 -12.327 -7.149 59 H ASP -4 HN ASP -4 -3.176 -12.226 -7.030 60 HA ASP -4 HA ASP -4 -0.778 -12.263 -5.401 61 HB2 ASP -4 HB2 ASP -4 -1.807 -14.492 -4.882 62 HB3 ASP -4 HB1 ASP -4 -1.823 -14.883 -6.597 63 H ASP -3 HN ASP -3 1.067 -12.205 -6.672 64 HA ASP -3 HA ASP -3 2.475 -11.973 -8.401 65 HB2 ASP -3 HB2 ASP -3 1.482 -14.165 -9.168 66 HB3 ASP -3 HB1 ASP -3 0.327 -13.275 -10.147 67 H LYS -2 HN LYS -2 3.026 -10.356 -9.867 68 HA LYS -2 HA LYS -2 0.876 -8.460 -10.661 69 HB2 LYS -2 HB2 LYS -2 2.787 -6.758 -10.863 70 HB3 LYS -2 HB1 LYS -2 2.311 -7.249 -9.247 71 HG2 LYS -2 HG2 LYS -2 4.268 -8.587 -8.961 72 HG3 LYS -2 HG1 LYS -2 4.688 -8.461 -10.670 73 HD2 LYS -2 HD2 LYS -2 6.067 -7.018 -9.088 74 HD3 LYS -2 HD1 LYS -2 5.342 -6.173 -10.452 75 HE2 LYS -2 HE2 LYS -2 5.160 -4.846 -8.386 76 HE3 LYS -2 HE1 LYS -2 3.563 -5.298 -8.976 77 HZ1 LYS -2 HZ1 LYS -2 5.037 -6.612 -6.763 78 HZ2 LYS -2 HZ2 LYS -2 3.509 -7.065 -7.324 79 HZ3 LYS -2 HZ3 LYS -2 3.728 -5.558 -6.594 80 H GLY -1 HN GLY -1 3.726 -10.215 -11.815 81 HA2 GLY -1 HA2 GLY -1 4.571 -10.646 -13.902 82 HA3 GLY -1 HA1 GLY -1 2.927 -10.492 -14.482 83 H THR 0 HN THR 0 4.209 -7.695 -12.979 84 HA THR 0 HA THR 0 4.121 -6.240 -15.507 85 HB THR 0 HB THR 0 4.210 -4.209 -13.985 86 HG1 THR 0 HG1 THR 0 5.187 -5.351 -12.184 87 HG21 THR 0 HG21 THR 0 2.033 -5.056 -14.803 88 HG22 THR 0 HG22 THR 0 1.891 -4.406 -13.167 89 HG23 THR 0 HG23 THR 0 1.939 -6.151 -13.423 90 H MET 1 HN MET 1 5.728 -4.237 -15.367 91 HA MET 1 HA MET 1 8.458 -5.063 -14.772 92 HB2 MET 1 HB2 MET 1 9.194 -4.736 -17.117 93 HB3 MET 1 HB1 MET 1 8.048 -6.059 -16.991 94 HG2 MET 1 HG2 MET 1 6.282 -4.655 -17.899 95 HG3 MET 1 HG1 MET 1 7.374 -3.266 -17.937 96 HE1 MET 1 HE1 MET 1 7.012 -3.969 -21.714 97 HE2 MET 1 HE2 MET 1 6.969 -2.755 -20.436 98 HE3 MET 1 HE3 MET 1 5.761 -4.042 -20.471 99 H GLU 2 HN GLU 2 9.677 -3.314 -14.265 100 HA GLU 2 HA GLU 2 8.422 -0.692 -14.187 101 HB2 GLU 2 HB2 GLU 2 9.929 -1.844 -12.335 102 HB3 GLU 2 HB1 GLU 2 11.273 -1.236 -13.288 103 HG2 GLU 2 HG2 GLU 2 10.946 0.444 -11.690 104 HG3 GLU 2 HG1 GLU 2 10.106 1.069 -13.109 105 H LEU 3 HN LEU 3 9.208 1.152 -15.272 106 HA LEU 3 HA LEU 3 11.184 0.817 -17.421 107 HB2 LEU 3 HB2 LEU 3 8.363 1.876 -17.925 108 HB3 LEU 3 HB1 LEU 3 9.640 1.645 -19.109 109 HG LEU 3 HG LEU 3 8.337 -0.673 -17.642 110 HD11 LEU 3 HD11 LEU 3 6.617 0.488 -18.929 111 HD12 LEU 3 HD12 LEU 3 7.007 -1.058 -19.673 112 HD13 LEU 3 HD13 LEU 3 7.629 0.438 -20.376 113 HD21 LEU 3 HD21 LEU 3 9.300 -2.025 -19.464 114 HD22 LEU 3 HD22 LEU 3 10.543 -1.189 -18.538 115 HD23 LEU 3 HD23 LEU 3 10.073 -0.583 -20.128 116 H GLU 4 HN GLU 4 12.418 2.635 -17.519 117 HA GLU 4 HA GLU 4 11.669 5.081 -16.139 118 HB2 GLU 4 HB2 GLU 4 13.979 4.212 -15.896 119 HB3 GLU 4 HB1 GLU 4 14.215 4.314 -17.638 120 HG2 GLU 4 HG2 GLU 4 13.862 6.817 -17.451 121 HG3 GLU 4 HG1 GLU 4 13.857 6.617 -15.695 122 H LEU 5 HN LEU 5 10.180 6.211 -17.315 123 HA LEU 5 HA LEU 5 10.430 6.453 -20.230 124 HB2 LEU 5 HB2 LEU 5 8.196 7.517 -18.498 125 HB3 LEU 5 HB1 LEU 5 8.186 7.276 -20.240 126 HG LEU 5 HG LEU 5 8.194 5.096 -18.112 127 HD11 LEU 5 HD11 LEU 5 6.042 5.967 -20.058 128 HD12 LEU 5 HD12 LEU 5 6.057 6.240 -18.312 129 HD13 LEU 5 HD13 LEU 5 5.944 4.600 -18.944 130 HD21 LEU 5 HD21 LEU 5 7.936 3.486 -19.966 131 HD22 LEU 5 HD22 LEU 5 9.479 4.327 -20.056 132 HD23 LEU 5 HD23 LEU 5 8.163 4.785 -21.142 133 H ARG 6 HN ARG 6 11.682 8.034 -20.878 134 HA ARG 6 HA ARG 6 12.088 10.440 -19.281 135 HB2 ARG 6 HB2 ARG 6 13.686 9.375 -21.642 136 HB3 ARG 6 HB1 ARG 6 14.117 10.743 -20.612 137 HG2 ARG 6 HG2 ARG 6 14.218 9.136 -18.664 138 HG3 ARG 6 HG1 ARG 6 13.986 7.816 -19.816 139 HD2 ARG 6 HD2 ARG 6 16.283 9.802 -19.872 140 HD3 ARG 6 HD1 ARG 6 16.361 8.179 -19.185 141 HE ARG 6 HE ARG 6 15.894 8.753 -22.054 142 HH11 ARG 6 HH11 ARG 6 17.236 6.702 -19.550 143 HH12 ARG 6 HH12 ARG 6 18.096 5.691 -20.666 144 HH21 ARG 6 HH21 ARG 6 16.992 7.398 -23.517 145 HH22 ARG 6 HH22 ARG 6 17.958 6.083 -22.921 146 H PHE 7 HN PHE 7 10.979 12.154 -19.838 147 HA PHE 7 HA PHE 7 9.891 12.528 -22.566 148 HB2 PHE 7 HB2 PHE 7 9.094 13.804 -19.900 149 HB3 PHE 7 HB1 PHE 7 8.350 14.162 -21.461 150 HD1 PHE 7 HD2 PHE 7 8.833 11.515 -18.910 151 HD2 PHE 7 HD1 PHE 7 6.719 12.671 -22.440 152 HE1 PHE 7 HE2 PHE 7 7.321 9.609 -18.644 153 HE2 PHE 7 HE1 PHE 7 5.198 10.758 -22.145 154 HZ PHE 7 HZ PHE 7 5.510 9.221 -20.250 155 H PHE 8 HN PHE 8 10.510 14.219 -23.772 156 HA PHE 8 HA PHE 8 12.292 16.269 -22.596 157 HB2 PHE 8 HB2 PHE 8 12.794 14.816 -25.232 158 HB3 PHE 8 HB1 PHE 8 13.767 16.136 -24.580 159 HD1 PHE 8 HD1 PHE 8 14.918 15.764 -22.284 160 HD2 PHE 8 HD2 PHE 8 13.300 12.578 -24.623 161 HE1 PHE 8 HE1 PHE 8 16.256 14.143 -21.006 162 HE2 PHE 8 HE2 PHE 8 14.642 10.973 -23.364 163 HZ PHE 8 HZ PHE 8 16.117 11.739 -21.531 164 H ALA 9 HN ALA 9 12.489 18.184 -23.882 165 HA ALA 9 HA ALA 9 11.675 20.004 -24.882 166 HB1 ALA 9 HB1 ALA 9 10.445 18.032 -26.810 167 HB2 ALA 9 HB2 ALA 9 12.096 18.650 -26.882 168 HB3 ALA 9 HB3 ALA 9 10.733 19.745 -27.119 169 H THR 10 HN THR 10 8.727 19.197 -26.317 170 HA THR 10 HA THR 10 7.190 20.694 -24.446 171 HB THR 10 HB THR 10 6.160 19.002 -26.768 172 HG1 THR 10 HG1 THR 10 6.859 21.760 -26.830 173 HG21 THR 10 HG21 THR 10 4.965 21.467 -25.429 174 HG22 THR 10 HG22 THR 10 4.372 19.813 -25.237 175 HG23 THR 10 HG23 THR 10 4.286 20.613 -26.809 176 H PHE 11 HN PHE 11 7.417 17.209 -25.241 177 HA PHE 11 HA PHE 11 5.276 16.274 -23.645 178 HB2 PHE 11 HB2 PHE 11 7.824 14.885 -24.561 179 HB3 PHE 11 HB1 PHE 11 6.585 14.049 -23.639 180 HD1 PHE 11 HD1 PHE 11 4.845 16.279 -25.749 181 HD2 PHE 11 HD2 PHE 11 7.062 12.624 -25.868 182 HE1 PHE 11 HE1 PHE 11 3.693 15.625 -27.817 183 HE2 PHE 11 HE2 PHE 11 5.898 11.991 -27.940 184 HZ PHE 11 HZ PHE 11 4.212 13.485 -28.909 185 H ARG 12 HN ARG 12 8.514 17.289 -22.829 186 HA ARG 12 HA ARG 12 8.802 16.071 -20.289 187 HB2 ARG 12 HB2 ARG 12 10.653 17.043 -21.693 188 HB3 ARG 12 HB1 ARG 12 10.118 18.633 -21.234 189 HG2 ARG 12 HG2 ARG 12 10.589 16.932 -18.889 190 HG3 ARG 12 HG1 ARG 12 12.013 17.013 -19.910 191 HD2 ARG 12 HD2 ARG 12 12.199 18.704 -18.226 192 HD3 ARG 12 HD1 ARG 12 11.889 19.518 -19.761 193 HE ARG 12 HE ARG 12 9.611 18.968 -17.998 194 HH11 ARG 12 HH11 ARG 12 11.795 21.378 -19.338 195 HH12 ARG 12 HH12 ARG 12 10.890 22.713 -18.711 196 HH21 ARG 12 HH21 ARG 12 8.456 20.741 -17.166 197 HH22 ARG 12 HH22 ARG 12 9.010 22.353 -17.474 198 H GLU 13 HN GLU 13 7.677 19.323 -21.289 199 HA GLU 13 HA GLU 13 7.190 20.155 -18.578 200 HB2 GLU 13 HB2 GLU 13 6.296 22.247 -19.527 201 HB3 GLU 13 HB1 GLU 13 7.871 21.834 -20.178 202 HG2 GLU 13 HG2 GLU 13 6.740 22.640 -22.040 203 HG3 GLU 13 HG1 GLU 13 6.581 20.898 -22.215 204 H VAL 14 HN VAL 14 5.269 18.558 -20.996 205 HA VAL 14 HA VAL 14 2.696 18.848 -19.897 206 HB VAL 14 HB VAL 14 3.932 16.433 -21.294 207 HG11 VAL 14 HG11 VAL 14 2.044 15.643 -20.016 208 HG12 VAL 14 HG12 VAL 14 1.568 15.725 -21.711 209 HG13 VAL 14 HG13 VAL 14 1.032 16.971 -20.588 210 HG21 VAL 14 HG21 VAL 14 3.854 18.451 -22.711 211 HG22 VAL 14 HG22 VAL 14 2.127 18.622 -22.396 212 HG23 VAL 14 HG23 VAL 14 2.726 17.226 -23.299 213 H VAL 15 HN VAL 15 5.099 16.306 -19.318 214 HA VAL 15 HA VAL 15 3.718 15.122 -17.086 215 HB VAL 15 HB VAL 15 6.510 14.651 -18.238 216 HG11 VAL 15 HG11 VAL 15 6.535 12.501 -17.004 217 HG12 VAL 15 HG12 VAL 15 5.009 12.929 -16.222 218 HG13 VAL 15 HG13 VAL 15 6.463 13.873 -15.893 219 HG21 VAL 15 HG21 VAL 15 3.910 13.102 -18.594 220 HG22 VAL 15 HG22 VAL 15 5.472 12.660 -19.287 221 HG23 VAL 15 HG23 VAL 15 4.669 14.143 -19.804 222 H GLY 16 HN GLY 16 5.978 17.696 -17.479 223 HA2 GLY 16 HA2 GLY 16 6.613 19.309 -15.963 224 HA3 GLY 16 HA1 GLY 16 5.838 18.401 -14.677 225 H GLN 17 HN GLN 17 8.006 16.548 -16.552 226 HA GLN 17 HA GLN 17 10.455 17.152 -15.223 227 HB2 GLN 17 HB2 GLN 17 10.683 14.972 -13.976 228 HB3 GLN 17 HB1 GLN 17 9.496 16.078 -13.296 229 HG2 GLN 17 HG2 GLN 17 7.707 14.740 -14.460 230 HG3 GLN 17 HG1 GLN 17 8.954 13.577 -14.910 231 HE21 GLN 17 HE21 GLN 17 10.430 13.758 -12.383 232 HE22 GLN 17 HE22 GLN 17 9.456 12.968 -11.198 233 H LYS 18 HN LYS 18 12.196 15.585 -15.792 234 HA LYS 18 HA LYS 18 11.958 15.165 -18.661 235 HB2 LYS 18 HB2 LYS 18 14.412 15.002 -18.651 236 HB3 LYS 18 HB1 LYS 18 13.851 16.457 -17.838 237 HG2 LYS 18 HG2 LYS 18 14.314 15.500 -15.653 238 HG3 LYS 18 HG1 LYS 18 14.712 13.936 -16.372 239 HD2 LYS 18 HD2 LYS 18 16.252 16.529 -16.810 240 HD3 LYS 18 HD1 LYS 18 16.742 15.218 -15.728 241 HE2 LYS 18 HE2 LYS 18 16.816 13.687 -17.737 242 HE3 LYS 18 HE1 LYS 18 16.498 15.089 -18.760 243 HZ1 LYS 18 HZ1 LYS 18 18.834 14.785 -16.964 244 HZ2 LYS 18 HZ2 LYS 18 18.551 16.068 -18.028 245 HZ3 LYS 18 HZ3 LYS 18 18.844 14.514 -18.632 246 H SER 19 HN SER 19 12.042 13.166 -15.855 247 HA SER 19 HA SER 19 11.808 10.767 -17.509 248 HB2 SER 19 HB2 SER 19 13.890 10.795 -15.264 249 HB3 SER 19 HB1 SER 19 13.571 9.510 -16.423 250 HG SER 19 HG SER 19 14.194 11.357 -17.993 251 H ILE 20 HN ILE 20 10.664 9.150 -16.444 252 HA ILE 20 HA ILE 20 9.985 9.391 -13.582 253 HB ILE 20 HB ILE 20 7.630 8.795 -13.969 254 HG12 ILE 20 HG12 ILE 20 8.315 8.865 -16.946 255 HG13 ILE 20 HG11 ILE 20 7.842 7.443 -16.018 256 HG21 ILE 20 HG21 ILE 20 8.158 11.200 -13.947 257 HG22 ILE 20 HG22 ILE 20 6.780 10.866 -14.996 258 HG23 ILE 20 HG23 ILE 20 8.372 11.176 -15.700 259 HD11 ILE 20 HD11 ILE 20 6.013 8.213 -17.383 260 HD12 ILE 20 HD12 ILE 20 6.099 9.820 -16.662 261 HD13 ILE 20 HD13 ILE 20 5.610 8.435 -15.680 262 H TYR 21 HN TYR 21 8.989 7.240 -12.831 263 HA TYR 21 HA TYR 21 9.796 4.942 -14.511 264 HB2 TYR 21 HB2 TYR 21 9.880 5.191 -11.473 265 HB3 TYR 21 HB1 TYR 21 9.915 3.637 -12.299 266 HD1 TYR 21 HD1 TYR 21 11.841 6.717 -11.594 267 HD2 TYR 21 HD2 TYR 21 11.922 2.912 -13.555 268 HE1 TYR 21 HE1 TYR 21 14.288 6.869 -11.809 269 HE2 TYR 21 HE2 TYR 21 14.359 3.068 -13.751 270 HH TYR 21 HH TYR 21 16.203 5.438 -12.094 271 H TRP 22 HN TRP 22 8.032 4.229 -15.406 272 HA TRP 22 HA TRP 22 5.478 3.948 -13.969 273 HB2 TRP 22 HB2 TRP 22 6.299 4.200 -16.813 274 HB3 TRP 22 HB1 TRP 22 5.134 2.913 -16.569 275 HD1 TRP 22 HD1 TRP 22 5.089 6.438 -14.878 276 HE1 TRP 22 HE1 TRP 22 2.888 7.576 -15.568 277 HE3 TRP 22 HE3 TRP 22 3.277 2.823 -17.969 278 HZ2 TRP 22 HZ2 TRP 22 0.668 7.009 -17.251 279 HZ3 TRP 22 HZ3 TRP 22 1.110 3.171 -19.062 280 HH2 TRP 22 HH2 TRP 22 -0.161 5.211 -18.700 281 H ARG 23 HN ARG 23 4.343 1.829 -14.474 282 HA ARG 23 HA ARG 23 5.999 -0.490 -14.983 283 HB2 ARG 23 HB2 ARG 23 6.395 -0.163 -12.596 284 HB3 ARG 23 HB1 ARG 23 4.679 -0.059 -12.274 285 HG2 ARG 23 HG2 ARG 23 4.430 -2.428 -12.927 286 HG3 ARG 23 HG1 ARG 23 6.156 -2.518 -13.253 287 HD2 ARG 23 HD2 ARG 23 5.627 -3.488 -11.065 288 HD3 ARG 23 HD1 ARG 23 6.644 -2.055 -10.889 289 HE ARG 23 HE ARG 23 3.722 -2.161 -10.350 290 HH11 ARG 23 HH11 ARG 23 6.832 -0.613 -9.786 291 HH12 ARG 23 HH12 ARG 23 6.264 0.267 -8.406 292 HH21 ARG 23 HH21 ARG 23 3.013 -0.947 -8.558 293 HH22 ARG 23 HH22 ARG 23 4.127 0.074 -7.715 294 H VAL 24 HN VAL 24 4.860 -1.227 -16.583 295 HA VAL 24 HA VAL 24 1.959 -1.793 -16.317 296 HB VAL 24 HB VAL 24 1.862 -1.848 -18.819 297 HG11 VAL 24 HG11 VAL 24 2.891 0.810 -17.752 298 HG12 VAL 24 HG12 VAL 24 1.220 0.243 -17.704 299 HG13 VAL 24 HG13 VAL 24 1.988 0.584 -19.255 300 HG21 VAL 24 HG21 VAL 24 4.740 -0.850 -18.746 301 HG22 VAL 24 HG22 VAL 24 3.735 -0.961 -20.194 302 HG23 VAL 24 HG23 VAL 24 4.197 -2.428 -19.328 303 H ASP 25 HN ASP 25 1.448 -3.780 -17.860 304 HA ASP 25 HA ASP 25 2.688 -6.022 -16.636 305 HB2 ASP 25 HB2 ASP 25 0.289 -5.924 -17.351 306 HB3 ASP 25 HB1 ASP 25 0.811 -5.976 -19.032 307 H ASP 26 HN ASP 26 3.617 -7.932 -17.853 308 HA ASP 26 HA ASP 26 5.910 -7.045 -19.359 309 HB2 ASP 26 HB2 ASP 26 6.791 -9.211 -19.061 310 HB3 ASP 26 HB1 ASP 26 5.840 -8.951 -17.615 311 H ASP 27 HN ASP 27 2.792 -8.384 -20.224 312 HA ASP 27 HA ASP 27 3.539 -9.099 -22.946 313 HB2 ASP 27 HB2 ASP 27 0.806 -8.796 -21.624 314 HB3 ASP 27 HB1 ASP 27 1.026 -9.301 -23.294 315 H ALA 28 HN ALA 28 2.664 -6.215 -21.298 316 HA ALA 28 HA ALA 28 1.839 -4.638 -23.557 317 HB1 ALA 28 HB1 ALA 28 3.007 -3.751 -20.889 318 HB2 ALA 28 HB2 ALA 28 1.294 -3.998 -21.227 319 HB3 ALA 28 HB3 ALA 28 2.176 -2.718 -22.060 320 H THR 29 HN THR 29 3.119 -3.097 -24.668 321 HA THR 29 HA THR 29 6.071 -3.327 -24.494 322 HB THR 29 HB THR 29 6.172 -3.139 -27.008 323 HG1 THR 29 HG1 THR 29 3.459 -3.957 -27.082 324 HG21 THR 29 HG21 THR 29 4.685 -5.589 -25.993 325 HG22 THR 29 HG22 THR 29 6.439 -5.359 -25.991 326 HG23 THR 29 HG23 THR 29 5.564 -5.481 -27.520 327 H VAL 30 HN VAL 30 6.863 -1.458 -26.274 328 HA VAL 30 HA VAL 30 6.747 0.969 -24.943 329 HB VAL 30 HB VAL 30 7.318 0.540 -27.914 330 HG11 VAL 30 HG11 VAL 30 8.143 2.864 -26.121 331 HG12 VAL 30 HG12 VAL 30 6.973 2.930 -27.441 332 HG13 VAL 30 HG13 VAL 30 8.672 2.621 -27.790 333 HG21 VAL 30 HG21 VAL 30 8.753 -0.887 -26.518 334 HG22 VAL 30 HG22 VAL 30 9.250 0.509 -25.559 335 HG23 VAL 30 HG23 VAL 30 9.706 0.400 -27.261 336 H GLY 31 HN GLY 31 4.703 -0.214 -27.535 337 HA2 GLY 31 HA2 GLY 31 3.349 2.205 -28.175 338 HA3 GLY 31 HA1 GLY 31 2.863 0.578 -28.632 339 H ASP 32 HN ASP 32 2.523 -0.553 -26.076 340 HA ASP 32 HA ASP 32 -0.068 0.351 -25.327 341 HB2 ASP 32 HB2 ASP 32 0.674 -2.016 -25.088 342 HB3 ASP 32 HB1 ASP 32 1.804 -1.540 -23.831 343 H VAL 33 HN VAL 33 3.164 0.946 -24.122 344 HA VAL 33 HA VAL 33 2.578 2.187 -21.657 345 HB VAL 33 HB VAL 33 4.945 2.479 -23.552 346 HG11 VAL 33 HG11 VAL 33 4.723 3.540 -20.712 347 HG12 VAL 33 HG12 VAL 33 4.829 4.513 -22.181 348 HG13 VAL 33 HG13 VAL 33 6.196 3.515 -21.689 349 HG21 VAL 33 HG21 VAL 33 6.101 1.030 -21.906 350 HG22 VAL 33 HG22 VAL 33 4.668 0.239 -22.565 351 HG23 VAL 33 HG23 VAL 33 4.619 0.943 -20.945 352 H LEU 34 HN LEU 34 3.359 3.783 -24.816 353 HA LEU 34 HA LEU 34 2.574 6.349 -23.872 354 HB2 LEU 34 HB2 LEU 34 2.570 6.990 -26.386 355 HB3 LEU 34 HB1 LEU 34 4.072 6.546 -25.601 356 HG LEU 34 HG LEU 34 3.623 4.165 -26.657 357 HD11 LEU 34 HD11 LEU 34 1.966 5.857 -28.528 358 HD12 LEU 34 HD12 LEU 34 1.368 4.569 -27.480 359 HD13 LEU 34 HD13 LEU 34 2.473 4.186 -28.799 360 HD21 LEU 34 HD21 LEU 34 4.534 6.503 -28.369 361 HD22 LEU 34 HD22 LEU 34 4.889 4.799 -28.671 362 HD23 LEU 34 HD23 LEU 34 5.532 5.590 -27.234 363 H ARG 35 HN ARG 35 0.755 3.785 -25.469 364 HA ARG 35 HA ARG 35 -1.657 5.034 -25.979 365 HB2 ARG 35 HB2 ARG 35 -1.497 2.767 -26.622 366 HB3 ARG 35 HB1 ARG 35 -0.958 2.239 -25.044 367 HG2 ARG 35 HG2 ARG 35 -3.250 1.456 -25.679 368 HG3 ARG 35 HG1 ARG 35 -3.188 2.328 -24.145 369 HD2 ARG 35 HD2 ARG 35 -3.861 4.404 -25.426 370 HD3 ARG 35 HD1 ARG 35 -4.221 3.350 -26.814 371 HE ARG 35 HE ARG 35 -5.792 2.199 -25.144 372 HH11 ARG 35 HH11 ARG 35 -5.115 5.660 -25.066 373 HH12 ARG 35 HH12 ARG 35 -6.591 6.044 -24.237 374 HH21 ARG 35 HH21 ARG 35 -7.728 2.739 -24.067 375 HH22 ARG 35 HH22 ARG 35 -8.061 4.396 -23.674 376 H SER 36 HN SER 36 -0.565 3.709 -22.893 377 HA SER 36 HA SER 36 -2.885 4.551 -21.436 378 HB2 SER 36 HB2 SER 36 -0.247 3.472 -20.457 379 HB3 SER 36 HB1 SER 36 -1.742 3.581 -19.539 380 HG SER 36 HG SER 36 -1.005 1.812 -21.541 381 H LEU 37 HN LEU 37 0.329 5.939 -21.997 382 HA LEU 37 HA LEU 37 0.498 7.778 -19.904 383 HB2 LEU 37 HB2 LEU 37 1.780 7.523 -22.564 384 HB3 LEU 37 HB1 LEU 37 1.715 9.175 -22.003 385 HG LEU 37 HG LEU 37 3.848 8.245 -21.402 386 HD11 LEU 37 HD11 LEU 37 3.896 8.592 -18.979 387 HD12 LEU 37 HD12 LEU 37 2.135 8.460 -18.908 388 HD13 LEU 37 HD13 LEU 37 2.890 9.800 -19.778 389 HD21 LEU 37 HD21 LEU 37 2.361 6.034 -19.991 390 HD22 LEU 37 HD22 LEU 37 4.100 6.309 -19.917 391 HD23 LEU 37 HD23 LEU 37 3.341 5.897 -21.448 392 H GLU 38 HN GLU 38 -1.232 8.167 -23.003 393 HA GLU 38 HA GLU 38 -2.003 10.911 -22.523 394 HB2 GLU 38 HB2 GLU 38 -3.576 10.582 -24.421 395 HB3 GLU 38 HB1 GLU 38 -1.932 10.095 -24.802 396 HG2 GLU 38 HG2 GLU 38 -2.464 7.788 -24.683 397 HG3 GLU 38 HG1 GLU 38 -4.025 8.098 -23.923 398 H ALA 39 HN ALA 39 -3.373 7.788 -21.753 399 HA ALA 39 HA ALA 39 -6.013 8.566 -21.050 400 HB1 ALA 39 HB1 ALA 39 -6.103 6.374 -19.900 401 HB2 ALA 39 HB2 ALA 39 -4.350 6.219 -20.059 402 HB3 ALA 39 HB3 ALA 39 -5.369 6.230 -21.499 403 H GLU 40 HN GLU 40 -2.969 8.922 -19.474 404 HA GLU 40 HA GLU 40 -4.083 9.774 -16.896 405 HB2 GLU 40 HB2 GLU 40 -1.211 9.722 -17.923 406 HB3 GLU 40 HB1 GLU 40 -1.710 10.040 -16.259 407 HG2 GLU 40 HG2 GLU 40 -2.177 7.438 -17.739 408 HG3 GLU 40 HG1 GLU 40 -0.814 7.774 -16.685 409 H TYR 41 HN TYR 41 -2.020 11.044 -19.502 410 HA TYR 41 HA TYR 41 -2.131 13.725 -18.389 411 HB2 TYR 41 HB2 TYR 41 -0.253 12.456 -20.420 412 HB3 TYR 41 HB1 TYR 41 -0.199 14.163 -19.990 413 HD1 TYR 41 HD1 TYR 41 0.540 14.867 -17.724 414 HD2 TYR 41 HD2 TYR 41 0.606 10.749 -18.875 415 HE1 TYR 41 HE1 TYR 41 2.014 14.364 -15.830 416 HE2 TYR 41 HE2 TYR 41 2.094 10.255 -16.976 417 HH TYR 41 HH TYR 41 3.700 11.451 -15.516 418 H ASP 42 HN ASP 42 -3.598 15.051 -19.210 419 HA ASP 42 HA ASP 42 -4.960 14.791 -21.693 420 HB2 ASP 42 HB2 ASP 42 -5.910 15.947 -19.695 421 HB3 ASP 42 HB1 ASP 42 -4.690 17.208 -19.842 422 H GLY 43 HN GLY 43 -2.064 16.492 -20.668 423 HA2 GLY 43 HA2 GLY 43 -1.644 18.143 -22.959 424 HA3 GLY 43 HA1 GLY 43 -0.438 17.697 -21.761 425 H LEU 44 HN LEU 44 -1.069 14.745 -22.410 426 HA LEU 44 HA LEU 44 0.708 14.499 -24.771 427 HB2 LEU 44 HB2 LEU 44 -0.059 12.519 -22.579 428 HB3 LEU 44 HB1 LEU 44 0.827 12.054 -24.012 429 HG LEU 44 HG LEU 44 1.810 13.956 -21.882 430 HD11 LEU 44 HD11 LEU 44 3.449 12.224 -21.344 431 HD12 LEU 44 HD12 LEU 44 2.715 11.148 -22.539 432 HD13 LEU 44 HD13 LEU 44 1.799 11.647 -21.115 433 HD21 LEU 44 HD21 LEU 44 3.971 13.934 -23.080 434 HD22 LEU 44 HD22 LEU 44 2.689 14.650 -24.053 435 HD23 LEU 44 HD23 LEU 44 3.232 13.003 -24.386 436 H ALA 45 HN ALA 45 -2.556 14.613 -24.299 437 HA ALA 45 HA ALA 45 -3.546 12.155 -25.265 438 HB1 ALA 45 HB1 ALA 45 -4.919 13.777 -24.016 439 HB2 ALA 45 HB2 ALA 45 -5.687 13.317 -25.536 440 HB3 ALA 45 HB3 ALA 45 -4.880 14.882 -25.393 441 H GLY 46 HN GLY 46 -3.318 11.274 -27.234 442 HA2 GLY 46 HA2 GLY 46 -3.681 10.971 -29.477 443 HA3 GLY 46 HA1 GLY 46 -4.254 12.617 -29.591 444 H ARG 47 HN ARG 47 -1.247 13.006 -28.325 445 HA ARG 47 HA ARG 47 -0.053 13.535 -30.993 446 HB2 ARG 47 HB2 ARG 47 1.353 15.170 -29.864 447 HB3 ARG 47 HB1 ARG 47 -0.325 15.448 -29.423 448 HG2 ARG 47 HG2 ARG 47 0.197 14.100 -27.298 449 HG3 ARG 47 HG1 ARG 47 1.897 14.271 -27.746 450 HD2 ARG 47 HD2 ARG 47 -0.081 16.469 -27.080 451 HD3 ARG 47 HD1 ARG 47 1.348 15.994 -26.171 452 HE ARG 47 HE ARG 47 2.130 16.856 -28.751 453 HH11 ARG 47 HH11 ARG 47 0.906 18.143 -25.716 454 HH12 ARG 47 HH12 ARG 47 1.565 19.724 -25.979 455 HH21 ARG 47 HH21 ARG 47 2.995 18.958 -29.073 456 HH22 ARG 47 HH22 ARG 47 2.740 20.184 -27.878 457 H LEU 48 HN LEU 48 -0.037 11.084 -28.960 458 HA LEU 48 HA LEU 48 2.811 10.375 -29.289 459 HB2 LEU 48 HB2 LEU 48 2.857 9.329 -27.158 460 HB3 LEU 48 HB1 LEU 48 2.178 10.923 -26.915 461 HG LEU 48 HG LEU 48 0.878 8.207 -26.613 462 HD11 LEU 48 HD11 LEU 48 0.928 10.641 -24.830 463 HD12 LEU 48 HD12 LEU 48 1.942 9.214 -24.668 464 HD13 LEU 48 HD13 LEU 48 0.202 9.085 -24.434 465 HD21 LEU 48 HD21 LEU 48 -1.350 9.157 -26.406 466 HD22 LEU 48 HD22 LEU 48 -0.724 9.417 -28.029 467 HD23 LEU 48 HD23 LEU 48 -0.754 10.749 -26.876 468 H ILE 49 HN ILE 49 -0.392 9.626 -30.049 469 HA ILE 49 HA ILE 49 0.496 7.132 -31.361 470 HB ILE 49 HB ILE 49 -2.239 7.586 -30.104 471 HG12 ILE 49 HG12 ILE 49 -0.112 5.493 -29.513 472 HG13 ILE 49 HG11 ILE 49 -0.606 6.812 -28.453 473 HG21 ILE 49 HG21 ILE 49 -1.347 5.243 -31.854 474 HG22 ILE 49 HG22 ILE 49 -2.514 6.485 -32.311 475 HG23 ILE 49 HG23 ILE 49 -2.899 5.358 -31.016 476 HD11 ILE 49 HD11 ILE 49 -1.508 4.642 -27.782 477 HD12 ILE 49 HD12 ILE 49 -2.373 4.515 -29.308 478 HD13 ILE 49 HD13 ILE 49 -2.785 5.795 -28.159 479 H GLU 50 HN GLU 50 0.061 7.131 -33.543 480 HA GLU 50 HA GLU 50 -2.211 8.654 -34.625 481 HB2 GLU 50 HB2 GLU 50 -0.117 10.045 -34.942 482 HB3 GLU 50 HB1 GLU 50 0.562 8.745 -35.900 483 HG2 GLU 50 HG2 GLU 50 -0.248 10.363 -37.435 484 HG3 GLU 50 HG1 GLU 50 -1.383 9.016 -37.496 485 H ASP 51 HN ASP 51 -3.400 7.262 -35.781 486 HA ASP 51 HA ASP 51 -4.120 5.593 -37.132 487 HB2 ASP 51 HB2 ASP 51 -2.641 6.863 -38.742 488 HB3 ASP 51 HB1 ASP 51 -1.332 5.749 -38.365 489 H GLY 52 HN GLY 52 -2.934 4.877 -34.604 490 HA2 GLY 52 HA2 GLY 52 -2.984 2.844 -33.484 491 HA3 GLY 52 HA1 GLY 52 -2.772 1.997 -35.004 492 H GLU 53 HN GLU 53 -0.388 4.024 -35.381 493 HA GLU 53 HA GLU 53 1.614 2.489 -33.823 494 HB2 GLU 53 HB2 GLU 53 3.266 3.261 -35.519 495 HB3 GLU 53 HB1 GLU 53 1.979 2.273 -36.207 496 HG2 GLU 53 HG2 GLU 53 0.870 4.292 -37.069 497 HG3 GLU 53 HG1 GLU 53 2.126 5.303 -36.356 498 H VAL 54 HN VAL 54 3.767 4.273 -33.828 499 HA VAL 54 HA VAL 54 3.028 5.680 -31.501 500 HB VAL 54 HB VAL 54 5.355 6.586 -31.431 501 HG11 VAL 54 HG11 VAL 54 4.870 4.355 -30.506 502 HG12 VAL 54 HG12 VAL 54 6.503 4.409 -31.175 503 HG13 VAL 54 HG13 VAL 54 5.206 3.618 -32.075 504 HG21 VAL 54 HG21 VAL 54 7.031 5.886 -33.130 505 HG22 VAL 54 HG22 VAL 54 5.797 6.943 -33.823 506 HG23 VAL 54 HG23 VAL 54 5.735 5.203 -34.116 507 H LYS 55 HN LYS 55 4.024 7.098 -34.697 508 HA LYS 55 HA LYS 55 2.329 9.034 -35.262 509 HB2 LYS 55 HB2 LYS 55 2.310 10.081 -33.062 510 HB3 LYS 55 HB1 LYS 55 4.045 10.186 -33.025 511 HG2 LYS 55 HG2 LYS 55 3.467 12.395 -33.401 512 HG3 LYS 55 HG1 LYS 55 3.726 11.840 -35.052 513 HD2 LYS 55 HD2 LYS 55 1.683 13.193 -34.902 514 HD3 LYS 55 HD1 LYS 55 1.295 11.534 -35.353 515 HE2 LYS 55 HE2 LYS 55 0.659 11.069 -32.991 516 HE3 LYS 55 HE1 LYS 55 1.001 12.751 -32.582 517 HZ1 LYS 55 HZ1 LYS 55 -1.365 12.254 -32.964 518 HZ2 LYS 55 HZ2 LYS 55 -1.020 11.899 -34.578 519 HZ3 LYS 55 HZ3 LYS 55 -0.770 13.461 -33.984 520 HA PRO 56 HA PRO 56 5.696 9.743 -38.256 521 HB2 PRO 56 HB2 PRO 56 4.636 12.099 -39.344 522 HB3 PRO 56 HB1 PRO 56 4.170 10.465 -39.842 523 HG2 PRO 56 HG2 PRO 56 2.829 12.291 -37.841 524 HG3 PRO 56 HG1 PRO 56 2.090 11.344 -39.141 525 HD2 PRO 56 HD2 PRO 56 1.985 10.449 -36.675 526 HD3 PRO 56 HD1 PRO 56 2.361 9.308 -37.991 527 H HIS 57 HN HIS 57 7.589 10.511 -37.581 528 HA HIS 57 HA HIS 57 9.272 11.948 -37.212 529 HB2 HIS 57 HB2 HIS 57 7.129 14.100 -37.432 530 HB3 HIS 57 HB1 HIS 57 8.844 14.454 -37.238 531 HD1 HIS 57 HD1 HIS 57 10.070 14.798 -39.386 532 HD2 HIS 57 HD2 HIS 57 6.698 12.426 -39.917 533 HE1 HIS 57 HE1 HIS 57 9.945 14.352 -41.859 534 HE2 HIS 57 HE2 HIS 57 7.839 13.014 -42.163 535 H VAL 58 HN VAL 58 6.995 11.272 -34.923 536 HA VAL 58 HA VAL 58 8.025 12.913 -32.776 537 HB VAL 58 HB VAL 58 5.701 11.732 -32.811 538 HG11 VAL 58 HG11 VAL 58 5.483 9.505 -31.845 539 HG12 VAL 58 HG12 VAL 58 7.240 9.336 -31.793 540 HG13 VAL 58 HG13 VAL 58 6.413 9.443 -33.347 541 HG21 VAL 58 HG21 VAL 58 5.589 11.524 -30.363 542 HG22 VAL 58 HG22 VAL 58 6.534 12.935 -30.845 543 HG23 VAL 58 HG23 VAL 58 7.355 11.480 -30.281 544 H ASN 59 HN ASN 59 10.067 12.642 -31.929 545 HA ASN 59 HA ASN 59 11.609 10.286 -32.685 546 HB2 ASN 59 HB2 ASN 59 12.323 12.818 -31.170 547 HB3 ASN 59 HB1 ASN 59 13.451 11.477 -31.315 548 HD21 ASN 59 HD21 ASN 59 14.911 12.634 -32.446 549 HD22 ASN 59 HD22 ASN 59 14.697 13.171 -34.075 550 H VAL 60 HN VAL 60 11.131 8.514 -31.619 551 HA VAL 60 HA VAL 60 10.859 8.563 -28.671 552 HB VAL 60 HB VAL 60 9.278 6.537 -29.041 553 HG11 VAL 60 HG11 VAL 60 7.288 8.008 -29.258 554 HG12 VAL 60 HG12 VAL 60 8.311 9.321 -29.854 555 HG13 VAL 60 HG13 VAL 60 8.498 8.738 -28.197 556 HG21 VAL 60 HG21 VAL 60 9.037 7.776 -31.821 557 HG22 VAL 60 HG22 VAL 60 8.010 6.493 -31.165 558 HG23 VAL 60 HG23 VAL 60 9.721 6.189 -31.455 559 H LEU 61 HN LEU 61 11.989 7.072 -27.603 560 HA LEU 61 HA LEU 61 13.842 5.367 -29.120 561 HB2 LEU 61 HB2 LEU 61 14.538 7.005 -26.681 562 HB3 LEU 61 HB1 LEU 61 15.616 5.908 -27.500 563 HG LEU 61 HG LEU 61 15.359 7.466 -29.534 564 HD11 LEU 61 HD11 LEU 61 14.272 9.372 -27.503 565 HD12 LEU 61 HD12 LEU 61 13.427 8.717 -28.903 566 HD13 LEU 61 HD13 LEU 61 14.800 9.791 -29.135 567 HD21 LEU 61 HD21 LEU 61 17.432 7.360 -28.239 568 HD22 LEU 61 HD22 LEU 61 16.788 8.543 -27.097 569 HD23 LEU 61 HD23 LEU 61 17.106 9.010 -28.771 570 H LYS 62 HN LYS 62 15.087 3.935 -27.523 571 HA LYS 62 HA LYS 62 13.507 2.621 -25.482 572 HB2 LYS 62 HB2 LYS 62 12.291 1.683 -27.297 573 HB3 LYS 62 HB1 LYS 62 13.693 1.649 -28.351 574 HG2 LYS 62 HG2 LYS 62 13.116 -0.590 -27.835 575 HG3 LYS 62 HG1 LYS 62 14.624 -0.220 -27.005 576 HD2 LYS 62 HD2 LYS 62 13.218 0.223 -24.923 577 HD3 LYS 62 HD1 LYS 62 11.846 -0.459 -25.809 578 HE2 LYS 62 HE2 LYS 62 12.929 -2.142 -24.386 579 HE3 LYS 62 HE1 LYS 62 13.072 -2.574 -26.093 580 HZ1 LYS 62 HZ1 LYS 62 15.132 -2.931 -24.960 581 HZ2 LYS 62 HZ2 LYS 62 15.161 -1.344 -24.385 582 HZ3 LYS 62 HZ3 LYS 62 15.327 -1.650 -26.043 583 H ASN 63 HN ASN 63 15.171 2.277 -24.092 584 HA ASN 63 HA ASN 63 17.235 1.910 -23.197 585 HB2 ASN 63 HB2 ASN 63 16.533 -0.408 -24.129 586 HB3 ASN 63 HB1 ASN 63 17.631 -0.103 -25.465 587 HD21 ASN 63 HD21 ASN 63 17.352 -0.871 -22.085 588 HD22 ASN 63 HD22 ASN 63 19.014 -1.280 -21.822 589 H GLY 64 HN GLY 64 17.044 4.071 -25.051 590 HA2 GLY 64 HA2 GLY 64 18.447 5.697 -25.876 591 HA3 GLY 64 HA1 GLY 64 19.811 4.626 -25.626 592 H ARG 65 HN ARG 65 17.304 3.247 -27.516 593 HA ARG 65 HA ARG 65 18.643 3.931 -30.077 594 HB2 ARG 65 HB2 ARG 65 18.927 1.512 -29.359 595 HB3 ARG 65 HB1 ARG 65 17.182 1.324 -29.431 596 HG2 ARG 65 HG2 ARG 65 18.060 0.428 -31.473 597 HG3 ARG 65 HG1 ARG 65 17.289 1.959 -31.885 598 HD2 ARG 65 HD2 ARG 65 19.532 3.056 -31.829 599 HD3 ARG 65 HD1 ARG 65 20.267 1.480 -31.522 600 HE ARG 65 HE ARG 65 18.824 1.119 -33.823 601 HH11 ARG 65 HH11 ARG 65 21.351 3.390 -32.901 602 HH12 ARG 65 HH12 ARG 65 21.964 3.534 -34.515 603 HH21 ARG 65 HH21 ARG 65 19.651 1.326 -35.927 604 HH22 ARG 65 HH22 ARG 65 21.014 2.356 -36.224 605 H GLU 66 HN GLU 66 17.358 4.982 -31.458 606 HA GLU 66 HA GLU 66 14.718 5.726 -30.633 607 HB2 GLU 66 HB2 GLU 66 16.640 7.125 -31.770 608 HB3 GLU 66 HB1 GLU 66 15.961 6.515 -33.271 609 HG2 GLU 66 HG2 GLU 66 13.799 7.585 -32.731 610 HG3 GLU 66 HG1 GLU 66 14.453 8.113 -31.188 611 H VAL 67 HN VAL 67 13.010 4.477 -31.017 612 HA VAL 67 HA VAL 67 13.004 2.288 -32.839 613 HB VAL 67 HB VAL 67 10.654 1.876 -32.074 614 HG11 VAL 67 HG11 VAL 67 12.758 2.214 -29.915 615 HG12 VAL 67 HG12 VAL 67 12.514 0.803 -30.949 616 HG13 VAL 67 HG13 VAL 67 11.284 1.248 -29.762 617 HG21 VAL 67 HG21 VAL 67 9.967 4.197 -31.586 618 HG22 VAL 67 HG22 VAL 67 11.135 4.286 -30.265 619 HG23 VAL 67 HG23 VAL 67 9.765 3.174 -30.162 620 H VAL 68 HN VAL 68 12.389 5.483 -33.577 621 HA VAL 68 HA VAL 68 10.361 5.132 -35.580 622 HB VAL 68 HB VAL 68 11.020 7.300 -36.455 623 HG11 VAL 68 HG11 VAL 68 9.749 7.317 -34.354 624 HG12 VAL 68 HG12 VAL 68 10.840 8.700 -34.436 625 HG13 VAL 68 HG13 VAL 68 11.253 7.313 -33.425 626 HG21 VAL 68 HG21 VAL 68 13.538 7.126 -34.742 627 HG22 VAL 68 HG22 VAL 68 13.032 8.537 -35.673 628 HG23 VAL 68 HG23 VAL 68 13.474 7.048 -36.506 629 H HIS 69 HN HIS 69 13.647 4.175 -35.381 630 HA HIS 69 HA HIS 69 14.057 3.884 -38.281 631 HB2 HIS 69 HB2 HIS 69 15.957 3.207 -35.988 632 HB3 HIS 69 HB1 HIS 69 16.368 3.300 -37.701 633 HD1 HIS 69 HD1 HIS 69 15.744 5.915 -38.680 634 HD2 HIS 69 HD2 HIS 69 16.742 5.411 -34.680 635 HE1 HIS 69 HE1 HIS 69 16.450 8.185 -37.872 636 HE2 HIS 69 HE2 HIS 69 16.822 7.895 -35.400 637 H LEU 70 HN LEU 70 12.495 2.150 -35.962 638 HA LEU 70 HA LEU 70 12.553 -0.309 -37.455 639 HB2 LEU 70 HB2 LEU 70 13.202 -1.793 -35.598 640 HB3 LEU 70 HB1 LEU 70 14.518 -0.750 -36.084 641 HG LEU 70 HG LEU 70 12.837 -0.031 -33.647 642 HD11 LEU 70 HD11 LEU 70 13.561 -2.349 -33.278 643 HD12 LEU 70 HD12 LEU 70 14.397 -1.239 -32.196 644 HD13 LEU 70 HD13 LEU 70 15.236 -1.893 -33.608 645 HD21 LEU 70 HD21 LEU 70 14.897 1.078 -32.899 646 HD22 LEU 70 HD22 LEU 70 14.387 1.685 -34.472 647 HD23 LEU 70 HD23 LEU 70 15.733 0.546 -34.361 648 H ASP 71 HN ASP 71 11.338 -1.896 -35.265 649 HA ASP 71 HA ASP 71 8.642 -1.134 -35.412 650 HB2 ASP 71 HB2 ASP 71 10.157 -3.027 -33.592 651 HB3 ASP 71 HB1 ASP 71 8.437 -2.759 -33.352 652 H GLY 72 HN GLY 72 7.919 0.791 -34.646 653 HA2 GLY 72 HA2 GLY 72 8.875 2.186 -32.388 654 HA3 GLY 72 HA1 GLY 72 7.367 2.495 -33.211 655 H MET 73 HN MET 73 5.991 0.155 -32.805 656 HA MET 73 HA MET 73 5.005 0.746 -30.139 657 HB2 MET 73 HB2 MET 73 3.901 -1.226 -32.191 658 HB3 MET 73 HB1 MET 73 3.061 -0.604 -30.770 659 HG2 MET 73 HG2 MET 73 3.947 1.051 -33.148 660 HG3 MET 73 HG1 MET 73 2.309 0.468 -32.851 661 HE1 MET 73 HE1 MET 73 0.958 2.795 -30.100 662 HE2 MET 73 HE2 MET 73 1.341 1.074 -30.030 663 HE3 MET 73 HE3 MET 73 0.559 1.749 -31.461 664 H ALA 74 HN ALA 74 6.547 -2.051 -31.751 665 HA ALA 74 HA ALA 74 6.834 -3.404 -29.153 666 HB1 ALA 74 HB1 ALA 74 5.938 -5.530 -29.972 667 HB2 ALA 74 HB2 ALA 74 5.523 -4.787 -31.520 668 HB3 ALA 74 HB3 ALA 74 4.708 -4.266 -30.041 669 H THR 75 HN THR 75 8.948 -2.625 -29.602 670 HA THR 75 HA THR 75 10.599 -3.881 -31.613 671 HB THR 75 HB THR 75 11.299 -1.689 -31.213 672 HG1 THR 75 HG1 THR 75 13.083 -3.190 -31.076 673 HG21 THR 75 HG21 THR 75 11.680 -0.657 -29.016 674 HG22 THR 75 HG22 THR 75 11.205 -2.149 -28.209 675 HG23 THR 75 HG23 THR 75 10.021 -1.236 -29.148 676 H ALA 76 HN ALA 76 10.860 -3.895 -27.992 677 HA ALA 76 HA ALA 76 11.697 -6.552 -27.668 678 HB1 ALA 76 HB1 ALA 76 14.156 -6.302 -27.519 679 HB2 ALA 76 HB2 ALA 76 14.028 -4.615 -28.027 680 HB3 ALA 76 HB3 ALA 76 13.585 -5.908 -29.141 681 H LEU 77 HN LEU 77 10.102 -4.705 -26.200 682 HA LEU 77 HA LEU 77 11.618 -3.343 -24.181 683 HB2 LEU 77 HB2 LEU 77 9.418 -2.520 -25.131 684 HB3 LEU 77 HB1 LEU 77 8.623 -3.785 -24.212 685 HG LEU 77 HG LEU 77 9.386 -2.763 -22.093 686 HD11 LEU 77 HD11 LEU 77 11.494 -1.787 -22.811 687 HD12 LEU 77 HD12 LEU 77 10.473 -0.559 -22.071 688 HD13 LEU 77 HD13 LEU 77 10.640 -0.619 -23.827 689 HD21 LEU 77 HD21 LEU 77 7.219 -2.047 -22.996 690 HD22 LEU 77 HD22 LEU 77 8.007 -0.749 -23.894 691 HD23 LEU 77 HD23 LEU 77 8.010 -0.731 -22.129 692 H ASP 78 HN ASP 78 11.470 -3.700 -21.894 693 HA ASP 78 HA ASP 78 10.849 -6.335 -20.851 694 HB2 ASP 78 HB2 ASP 78 12.979 -6.649 -22.192 695 HB3 ASP 78 HB1 ASP 78 13.750 -5.434 -21.194 696 H ASP 79 HN ASP 79 11.776 -6.449 -18.512 697 HA ASP 79 HA ASP 79 11.003 -4.102 -17.066 698 HB2 ASP 79 HB2 ASP 79 11.659 -5.435 -15.027 699 HB3 ASP 79 HB1 ASP 79 10.545 -6.281 -16.091 700 H GLY 80 HN GLY 80 12.213 -2.785 -15.718 701 HA2 GLY 80 HA2 GLY 80 13.927 -1.414 -15.119 702 HA3 GLY 80 HA1 GLY 80 15.025 -2.752 -15.411 703 H ASP 81 HN ASP 81 13.076 -1.788 -18.131 704 HA ASP 81 HA ASP 81 15.431 -0.909 -19.571 705 HB2 ASP 81 HB2 ASP 81 13.440 -2.304 -20.584 706 HB3 ASP 81 HB1 ASP 81 12.593 -0.774 -20.665 707 H ALA 82 HN ALA 82 15.378 1.170 -20.870 708 HA ALA 82 HA ALA 82 14.012 3.385 -19.435 709 HB1 ALA 82 HB1 ALA 82 16.028 4.745 -19.694 710 HB2 ALA 82 HB2 ALA 82 16.859 3.413 -20.502 711 HB3 ALA 82 HB3 ALA 82 16.395 3.264 -18.806 712 H VAL 83 HN VAL 83 12.422 3.659 -20.898 713 HA VAL 83 HA VAL 83 12.832 3.941 -23.779 714 HB VAL 83 HB VAL 83 10.322 4.276 -22.061 715 HG11 VAL 83 HG11 VAL 83 9.019 4.024 -24.144 716 HG12 VAL 83 HG12 VAL 83 10.516 3.994 -25.080 717 HG13 VAL 83 HG13 VAL 83 10.060 5.451 -24.194 718 HG21 VAL 83 HG21 VAL 83 11.208 1.842 -23.654 719 HG22 VAL 83 HG22 VAL 83 9.662 2.017 -22.817 720 HG23 VAL 83 HG23 VAL 83 11.163 1.982 -21.890 721 H SER 84 HN SER 84 12.836 5.965 -24.845 722 HA SER 84 HA SER 84 12.370 8.410 -23.187 723 HB2 SER 84 HB2 SER 84 14.167 8.198 -25.631 724 HB3 SER 84 HB1 SER 84 13.961 9.596 -24.606 725 HG SER 84 HG SER 84 14.667 7.379 -23.199 726 H VAL 85 HN VAL 85 11.467 10.261 -24.383 727 HA VAL 85 HA VAL 85 10.269 9.814 -26.996 728 HB VAL 85 HB VAL 85 8.033 10.693 -26.381 729 HG11 VAL 85 HG11 VAL 85 8.243 8.242 -26.454 730 HG12 VAL 85 HG12 VAL 85 7.077 8.729 -25.224 731 HG13 VAL 85 HG13 VAL 85 8.697 8.213 -24.748 732 HG21 VAL 85 HG21 VAL 85 7.338 10.880 -24.012 733 HG22 VAL 85 HG22 VAL 85 8.627 12.015 -24.422 734 HG23 VAL 85 HG23 VAL 85 8.995 10.545 -23.509 735 H PHE 86 HN PHE 86 10.109 11.643 -28.153 736 HA PHE 86 HA PHE 86 10.573 14.324 -26.988 737 HB2 PHE 86 HB2 PHE 86 11.824 13.251 -29.582 738 HB3 PHE 86 HB1 PHE 86 11.902 14.920 -29.046 739 HD1 PHE 86 HD2 PHE 86 12.831 11.468 -27.841 740 HD2 PHE 86 HD1 PHE 86 13.934 15.600 -28.070 741 HE1 PHE 86 HE2 PHE 86 14.992 10.966 -26.800 742 HE2 PHE 86 HE1 PHE 86 16.114 15.059 -27.050 743 HZ PHE 86 HZ PHE 86 16.634 12.724 -26.430 744 HA PRO 87 HA PRO 87 6.762 14.828 -29.506 745 HB2 PRO 87 HB2 PRO 87 6.829 17.626 -29.710 746 HB3 PRO 87 HB1 PRO 87 6.173 16.731 -28.332 747 HG2 PRO 87 HG2 PRO 87 8.894 17.950 -28.681 748 HG3 PRO 87 HG1 PRO 87 7.826 17.971 -27.263 749 HD2 PRO 87 HD2 PRO 87 9.907 16.306 -27.359 750 HD3 PRO 87 HD1 PRO 87 8.364 15.783 -26.647 751 HA PRO 88 HA PRO 88 8.316 15.155 -33.695 752 HB2 PRO 88 HB2 PRO 88 6.050 15.639 -35.109 753 HB3 PRO 88 HB1 PRO 88 6.304 14.108 -34.256 754 HG2 PRO 88 HG2 PRO 88 4.701 16.510 -33.383 755 HG3 PRO 88 HG1 PRO 88 4.256 14.791 -33.334 756 HD2 PRO 88 HD2 PRO 88 5.233 16.151 -31.143 757 HD3 PRO 88 HD1 PRO 88 5.472 14.401 -31.390 758 H VAL 89 HN VAL 89 9.315 16.725 -34.921 759 HA VAL 89 HA VAL 89 8.728 19.556 -34.425 760 HB VAL 89 HB VAL 89 10.779 20.054 -35.714 761 HG11 VAL 89 HG11 VAL 89 12.442 19.008 -34.201 762 HG12 VAL 89 HG12 VAL 89 11.225 17.849 -33.658 763 HG13 VAL 89 HG13 VAL 89 11.019 19.567 -33.315 764 HG21 VAL 89 HG21 VAL 89 10.663 18.255 -37.403 765 HG22 VAL 89 HG22 VAL 89 11.022 17.050 -36.166 766 HG23 VAL 89 HG23 VAL 89 12.235 18.257 -36.602 767 H ALA 90 HN ALA 90 6.669 18.197 -35.707 768 HA ALA 90 HA ALA 90 6.613 18.428 -38.532 769 HB1 ALA 90 HB1 ALA 90 5.226 16.815 -37.296 770 HB2 ALA 90 HB2 ALA 90 4.217 17.882 -38.273 771 HB3 ALA 90 HB3 ALA 90 4.342 18.138 -36.529 772 H GLY 91 HN GLY 91 7.209 20.527 -39.067 773 HA2 GLY 91 HA2 GLY 91 5.130 22.532 -39.087 774 HA3 GLY 91 HA1 GLY 91 6.513 22.962 -38.085 775 H GLY 92 HN GLY 92 7.811 24.312 -39.150 776 HA2 GLY 92 HA2 GLY 92 9.222 23.668 -41.490 777 HA3 GLY 92 HA1 GLY 92 7.869 24.702 -41.946 Start of MODEL 10 1 H1 GLY -13 HT1 GLY -13 -10.010 -7.027 -20.020 2 H2 GLY -13 HT2 GLY -13 -9.114 -8.225 -20.799 3 H3 GLY -13 HT3 GLY -13 -9.057 -6.636 -21.363 4 HA2 GLY -13 HA1 GLY -13 -8.007 -5.920 -19.307 5 HA3 GLY -13 HA2 GLY -13 -8.062 -7.580 -18.737 6 H GLY -12 HN GLY -12 -6.532 -9.037 -19.446 7 HA2 GLY -12 HA2 GLY -12 -4.957 -9.080 -21.683 8 HA3 GLY -12 HA1 GLY -12 -4.085 -8.021 -20.580 9 H GLY -11 HN GLY -11 -4.558 -9.152 -18.171 10 HA2 GLY -11 HA2 GLY -11 -4.473 -11.683 -17.434 11 HA3 GLY -11 HA1 GLY -11 -2.915 -11.600 -18.259 12 H ARG -10 HN ARG -10 -2.116 -12.167 -16.034 13 HA ARG -10 HA ARG -10 -0.739 -11.595 -14.321 14 HB2 ARG -10 HB2 ARG -10 -0.805 -8.798 -15.537 15 HB3 ARG -10 HB1 ARG -10 0.426 -9.423 -14.446 16 HG2 ARG -10 HG2 ARG -10 -0.105 -10.380 -17.283 17 HG3 ARG -10 HG1 ARG -10 1.218 -9.334 -16.763 18 HD2 ARG -10 HD2 ARG -10 1.975 -11.248 -15.260 19 HD3 ARG -10 HD1 ARG -10 0.796 -12.263 -16.106 20 HE ARG -10 HE ARG -10 2.124 -11.256 -18.175 21 HH11 ARG -10 HH11 ARG -10 3.374 -12.732 -15.239 22 HH12 ARG -10 HH12 ARG -10 4.894 -13.153 -15.957 23 HH21 ARG -10 HH21 ARG -10 4.094 -11.800 -19.095 24 HH22 ARG -10 HH22 ARG -10 5.301 -12.623 -18.161 25 H ASP -9 HN ASP -9 -0.355 -9.602 -12.644 26 HA ASP -9 HA ASP -9 -2.906 -8.686 -11.473 27 HB2 ASP -9 HB2 ASP -9 -0.382 -9.670 -10.083 28 HB3 ASP -9 HB1 ASP -9 -1.644 -8.775 -9.247 29 H TYR -8 HN TYR -8 -3.049 -6.522 -11.758 30 HA TYR -8 HA TYR -8 -0.667 -4.978 -12.447 31 HB2 TYR -8 HB2 TYR -8 -3.569 -4.102 -12.503 32 HB3 TYR -8 HB1 TYR -8 -2.224 -3.263 -13.244 33 HD1 TYR -8 HD2 TYR -8 -0.828 -5.584 -14.551 34 HD2 TYR -8 HD1 TYR -8 -4.978 -4.606 -14.344 35 HE1 TYR -8 HE2 TYR -8 -1.221 -6.783 -16.651 36 HE2 TYR -8 HE1 TYR -8 -5.375 -5.812 -16.444 37 HH TYR -8 HH TYR -8 -2.931 -7.794 -17.926 38 H LYS -7 HN LYS -7 -0.103 -5.391 -10.066 39 HA LYS -7 HA LYS -7 -0.272 -2.849 -8.716 40 HB2 LYS -7 HB2 LYS -7 -0.788 -4.061 -6.447 41 HB3 LYS -7 HB1 LYS -7 -2.116 -3.654 -7.513 42 HG2 LYS -7 HG2 LYS -7 -2.533 -5.828 -6.591 43 HG3 LYS -7 HG1 LYS -7 -2.184 -6.022 -8.309 44 HD2 LYS -7 HD2 LYS -7 -0.019 -6.935 -7.862 45 HD3 LYS -7 HD1 LYS -7 -0.070 -6.450 -6.166 46 HE2 LYS -7 HE2 LYS -7 -1.898 -8.086 -5.764 47 HE3 LYS -7 HE1 LYS -7 -1.831 -8.569 -7.459 48 HZ1 LYS -7 HZ1 LYS -7 -0.642 -10.097 -6.016 49 HZ2 LYS -7 HZ2 LYS -7 0.392 -8.861 -5.508 50 HZ3 LYS -7 HZ3 LYS -7 0.404 -9.369 -7.118 51 H ASP -6 HN ASP -6 1.337 -2.741 -6.889 52 HA ASP -6 HA ASP -6 3.758 -4.172 -7.676 53 HB2 ASP -6 HB2 ASP -6 3.776 -1.680 -7.188 54 HB3 ASP -6 HB1 ASP -6 3.493 -2.055 -5.490 55 H ASP -5 HN ASP -5 4.420 -5.952 -6.713 56 HA ASP -5 HA ASP -5 4.212 -6.633 -3.960 57 HB2 ASP -5 HB2 ASP -5 1.812 -6.927 -4.557 58 HB3 ASP -5 HB1 ASP -5 2.250 -7.992 -5.886 59 H ASP -4 HN ASP -4 4.891 -9.056 -3.689 60 HA ASP -4 HA ASP -4 7.210 -9.722 -5.094 61 HB2 ASP -4 HB2 ASP -4 6.501 -10.646 -2.839 62 HB3 ASP -4 HB1 ASP -4 5.351 -11.691 -3.668 63 H ASP -3 HN ASP -3 3.880 -10.909 -5.552 64 HA ASP -3 HA ASP -3 4.542 -11.944 -8.254 65 HB2 ASP -3 HB2 ASP -3 3.455 -13.589 -6.728 66 HB3 ASP -3 HB1 ASP -3 2.097 -12.495 -6.498 67 H LYS -2 HN LYS -2 3.704 -10.908 -10.001 68 HA LYS -2 HA LYS -2 1.355 -9.296 -10.003 69 HB2 LYS -2 HB2 LYS -2 2.532 -7.096 -10.564 70 HB3 LYS -2 HB1 LYS -2 2.555 -7.594 -8.880 71 HG2 LYS -2 HG2 LYS -2 4.888 -8.397 -9.150 72 HG3 LYS -2 HG1 LYS -2 4.861 -7.882 -10.841 73 HD2 LYS -2 HD2 LYS -2 4.619 -5.550 -10.174 74 HD3 LYS -2 HD1 LYS -2 4.481 -6.008 -8.471 75 HE2 LYS -2 HE2 LYS -2 6.809 -6.901 -8.557 76 HE3 LYS -2 HE1 LYS -2 6.934 -6.363 -10.237 77 HZ1 LYS -2 HZ1 LYS -2 6.437 -4.584 -7.908 78 HZ2 LYS -2 HZ2 LYS -2 6.665 -4.097 -9.511 79 HZ3 LYS -2 HZ3 LYS -2 7.932 -4.814 -8.659 80 H GLY -1 HN GLY -1 4.413 -10.084 -11.607 81 HA2 GLY -1 HA2 GLY -1 4.972 -10.336 -13.822 82 HA3 GLY -1 HA1 GLY -1 3.274 -10.682 -14.098 83 H THR 0 HN THR 0 4.407 -7.682 -12.745 84 HA THR 0 HA THR 0 3.866 -6.272 -15.285 85 HB THR 0 HB THR 0 3.179 -4.305 -13.878 86 HG1 THR 0 HG1 THR 0 2.572 -5.667 -11.622 87 HG21 THR 0 HG21 THR 0 0.953 -5.128 -13.246 88 HG22 THR 0 HG22 THR 0 1.509 -6.797 -13.369 89 HG23 THR 0 HG23 THR 0 1.431 -5.785 -14.816 90 H MET 1 HN MET 1 5.271 -4.673 -15.837 91 HA MET 1 HA MET 1 7.920 -4.826 -14.559 92 HB2 MET 1 HB2 MET 1 8.776 -4.169 -16.794 93 HB3 MET 1 HB1 MET 1 7.880 -5.675 -16.827 94 HG2 MET 1 HG2 MET 1 5.953 -4.504 -17.801 95 HG3 MET 1 HG1 MET 1 6.855 -2.984 -17.756 96 HE1 MET 1 HE1 MET 1 6.429 -2.612 -20.346 97 HE2 MET 1 HE2 MET 1 5.510 -4.118 -20.426 98 HE3 MET 1 HE3 MET 1 6.806 -3.810 -21.583 99 H GLU 2 HN GLU 2 8.913 -3.026 -13.827 100 HA GLU 2 HA GLU 2 7.549 -0.434 -13.957 101 HB2 GLU 2 HB2 GLU 2 8.347 -1.319 -11.746 102 HB3 GLU 2 HB1 GLU 2 9.998 -1.261 -12.329 103 HG2 GLU 2 HG2 GLU 2 9.852 1.190 -12.552 104 HG3 GLU 2 HG1 GLU 2 8.172 1.143 -12.023 105 H LEU 3 HN LEU 3 8.393 1.290 -15.179 106 HA LEU 3 HA LEU 3 10.938 0.813 -16.626 107 HB2 LEU 3 HB2 LEU 3 8.589 2.002 -18.123 108 HB3 LEU 3 HB1 LEU 3 10.012 1.173 -18.726 109 HG LEU 3 HG LEU 3 8.814 -0.908 -17.406 110 HD11 LEU 3 HD11 LEU 3 6.887 0.401 -16.680 111 HD12 LEU 3 HD12 LEU 3 6.400 -0.882 -17.785 112 HD13 LEU 3 HD13 LEU 3 6.489 0.787 -18.358 113 HD21 LEU 3 HD21 LEU 3 7.974 -1.667 -19.569 114 HD22 LEU 3 HD22 LEU 3 9.586 -0.975 -19.702 115 HD23 LEU 3 HD23 LEU 3 8.183 -0.043 -20.230 116 H GLU 4 HN GLU 4 12.129 2.629 -17.140 117 HA GLU 4 HA GLU 4 11.385 5.131 -15.840 118 HB2 GLU 4 HB2 GLU 4 13.679 4.212 -15.557 119 HB3 GLU 4 HB1 GLU 4 13.950 4.361 -17.291 120 HG2 GLU 4 HG2 GLU 4 13.614 6.844 -17.064 121 HG3 GLU 4 HG1 GLU 4 13.493 6.628 -15.318 122 H LEU 5 HN LEU 5 9.910 6.248 -17.078 123 HA LEU 5 HA LEU 5 10.248 6.375 -19.992 124 HB2 LEU 5 HB2 LEU 5 7.988 7.578 -18.379 125 HB3 LEU 5 HB1 LEU 5 8.033 7.265 -20.109 126 HG LEU 5 HG LEU 5 7.859 5.195 -17.882 127 HD11 LEU 5 HD11 LEU 5 5.773 6.370 -18.317 128 HD12 LEU 5 HD12 LEU 5 5.666 4.696 -18.851 129 HD13 LEU 5 HD13 LEU 5 5.882 5.986 -20.039 130 HD21 LEU 5 HD21 LEU 5 8.048 4.699 -20.878 131 HD22 LEU 5 HD22 LEU 5 7.703 3.480 -19.646 132 HD23 LEU 5 HD23 LEU 5 9.268 4.286 -19.669 133 H ARG 6 HN ARG 6 11.686 7.808 -20.570 134 HA ARG 6 HA ARG 6 12.107 10.294 -19.114 135 HB2 ARG 6 HB2 ARG 6 13.705 9.365 -21.531 136 HB3 ARG 6 HB1 ARG 6 14.187 10.472 -20.245 137 HG2 ARG 6 HG2 ARG 6 14.026 8.414 -18.676 138 HG3 ARG 6 HG1 ARG 6 13.966 7.453 -20.157 139 HD2 ARG 6 HD2 ARG 6 16.252 7.481 -19.498 140 HD3 ARG 6 HD1 ARG 6 16.144 8.625 -20.841 141 HE ARG 6 HE ARG 6 16.060 9.520 -18.019 142 HH11 ARG 6 HH11 ARG 6 17.577 9.751 -21.183 143 HH12 ARG 6 HH12 ARG 6 18.605 11.065 -20.716 144 HH21 ARG 6 HH21 ARG 6 17.421 11.224 -17.429 145 HH22 ARG 6 HH22 ARG 6 18.520 11.898 -18.589 146 H PHE 7 HN PHE 7 11.078 12.065 -19.726 147 HA PHE 7 HA PHE 7 10.077 12.418 -22.493 148 HB2 PHE 7 HB2 PHE 7 9.220 13.769 -19.888 149 HB3 PHE 7 HB1 PHE 7 8.554 14.125 -21.483 150 HD1 PHE 7 HD2 PHE 7 8.727 11.613 -18.788 151 HD2 PHE 7 HD1 PHE 7 7.020 12.580 -22.583 152 HE1 PHE 7 HE2 PHE 7 7.132 9.763 -18.557 153 HE2 PHE 7 HE1 PHE 7 5.415 10.733 -22.328 154 HZ PHE 7 HZ PHE 7 5.480 9.316 -20.317 155 H PHE 8 HN PHE 8 10.804 14.067 -23.721 156 HA PHE 8 HA PHE 8 12.537 16.136 -22.492 157 HB2 PHE 8 HB2 PHE 8 13.114 14.742 -25.152 158 HB3 PHE 8 HB1 PHE 8 14.095 15.995 -24.389 159 HD1 PHE 8 HD1 PHE 8 15.036 15.470 -22.002 160 HD2 PHE 8 HD2 PHE 8 13.601 12.479 -24.694 161 HE1 PHE 8 HE1 PHE 8 16.221 13.737 -20.717 162 HE2 PHE 8 HE2 PHE 8 14.788 10.768 -23.424 163 HZ PHE 8 HZ PHE 8 16.087 11.379 -21.410 164 H ALA 9 HN ALA 9 12.768 18.057 -23.807 165 HA ALA 9 HA ALA 9 11.934 19.883 -24.807 166 HB1 ALA 9 HB1 ALA 9 12.381 18.585 -26.820 167 HB2 ALA 9 HB2 ALA 9 10.935 19.573 -27.045 168 HB3 ALA 9 HB3 ALA 9 10.779 17.850 -26.717 169 H THR 10 HN THR 10 9.046 19.296 -26.300 170 HA THR 10 HA THR 10 7.528 20.743 -24.435 171 HB THR 10 HB THR 10 6.339 19.042 -26.669 172 HG1 THR 10 HG1 THR 10 7.337 21.680 -26.995 173 HG21 THR 10 HG21 THR 10 4.709 20.895 -26.822 174 HG22 THR 10 HG22 THR 10 5.526 21.735 -25.503 175 HG23 THR 10 HG23 THR 10 4.712 20.197 -25.199 176 H PHE 11 HN PHE 11 7.663 17.256 -25.158 177 HA PHE 11 HA PHE 11 5.479 16.387 -23.580 178 HB2 PHE 11 HB2 PHE 11 7.988 14.954 -24.522 179 HB3 PHE 11 HB1 PHE 11 6.769 14.136 -23.564 180 HD1 PHE 11 HD1 PHE 11 5.040 16.401 -25.675 181 HD2 PHE 11 HD2 PHE 11 7.106 12.655 -25.766 182 HE1 PHE 11 HE1 PHE 11 3.804 15.750 -27.693 183 HE2 PHE 11 HE2 PHE 11 5.858 12.024 -27.790 184 HZ PHE 11 HZ PHE 11 4.201 13.564 -28.750 185 H ARG 12 HN ARG 12 8.733 17.305 -22.715 186 HA ARG 12 HA ARG 12 8.936 16.002 -20.209 187 HB2 ARG 12 HB2 ARG 12 10.830 16.937 -21.595 188 HB3 ARG 12 HB1 ARG 12 10.378 18.524 -21.055 189 HG2 ARG 12 HG2 ARG 12 10.907 16.539 -18.899 190 HG3 ARG 12 HG1 ARG 12 12.293 16.956 -19.887 191 HD2 ARG 12 HD2 ARG 12 12.409 18.398 -18.031 192 HD3 ARG 12 HD1 ARG 12 11.769 19.404 -19.324 193 HE ARG 12 HE ARG 12 9.666 18.268 -17.785 194 HH11 ARG 12 HH11 ARG 12 12.088 20.797 -17.571 195 HH12 ARG 12 HH12 ARG 12 11.148 21.766 -16.482 196 HH21 ARG 12 HH21 ARG 12 8.434 19.577 -16.398 197 HH22 ARG 12 HH22 ARG 12 9.086 21.075 -15.828 198 H GLU 13 HN GLU 13 8.015 19.342 -21.120 199 HA GLU 13 HA GLU 13 7.495 20.150 -18.400 200 HB2 GLU 13 HB2 GLU 13 6.680 22.258 -19.341 201 HB3 GLU 13 HB1 GLU 13 8.214 21.807 -20.067 202 HG2 GLU 13 HG2 GLU 13 7.237 21.286 -22.144 203 HG3 GLU 13 HG1 GLU 13 5.626 21.119 -21.459 204 H VAL 14 HN VAL 14 5.601 18.547 -20.811 205 HA VAL 14 HA VAL 14 2.994 19.047 -19.792 206 HB VAL 14 HB VAL 14 4.144 16.669 -21.316 207 HG11 VAL 14 HG11 VAL 14 1.232 17.188 -20.607 208 HG12 VAL 14 HG12 VAL 14 2.235 15.856 -20.023 209 HG13 VAL 14 HG13 VAL 14 1.808 15.951 -21.730 210 HG21 VAL 14 HG21 VAL 14 2.350 18.954 -22.237 211 HG22 VAL 14 HG22 VAL 14 2.916 17.617 -23.243 212 HG23 VAL 14 HG23 VAL 14 4.071 18.781 -22.595 213 H VAL 15 HN VAL 15 5.263 16.376 -19.242 214 HA VAL 15 HA VAL 15 3.714 15.161 -17.135 215 HB VAL 15 HB VAL 15 6.542 14.557 -18.130 216 HG11 VAL 15 HG11 VAL 15 6.234 12.306 -17.146 217 HG12 VAL 15 HG12 VAL 15 4.679 12.810 -16.475 218 HG13 VAL 15 HG13 VAL 15 6.170 13.564 -15.906 219 HG21 VAL 15 HG21 VAL 15 4.877 14.370 -19.936 220 HG22 VAL 15 HG22 VAL 15 3.884 13.305 -18.936 221 HG23 VAL 15 HG23 VAL 15 5.476 12.773 -19.481 222 H GLY 16 HN GLY 16 6.004 17.687 -17.301 223 HA2 GLY 16 HA2 GLY 16 7.012 19.013 -15.722 224 HA3 GLY 16 HA1 GLY 16 6.085 18.177 -14.484 225 H GLN 17 HN GLN 17 7.925 16.191 -16.547 226 HA GLN 17 HA GLN 17 10.100 15.779 -14.613 227 HB2 GLN 17 HB2 GLN 17 8.104 13.663 -15.528 228 HB3 GLN 17 HB1 GLN 17 9.635 13.272 -14.752 229 HG2 GLN 17 HG2 GLN 17 7.476 14.958 -13.446 230 HG3 GLN 17 HG1 GLN 17 7.592 13.210 -13.262 231 HE21 GLN 17 HE21 GLN 17 9.359 12.330 -12.124 232 HE22 GLN 17 HE22 GLN 17 10.285 13.269 -11.012 233 H LYS 18 HN LYS 18 11.981 15.224 -15.617 234 HA LYS 18 HA LYS 18 12.062 14.922 -18.512 235 HB2 LYS 18 HB2 LYS 18 14.513 14.864 -18.256 236 HB3 LYS 18 HB1 LYS 18 13.807 16.264 -17.454 237 HG2 LYS 18 HG2 LYS 18 14.084 15.240 -15.274 238 HG3 LYS 18 HG1 LYS 18 14.628 13.723 -16.000 239 HD2 LYS 18 HD2 LYS 18 16.075 16.396 -16.241 240 HD3 LYS 18 HD1 LYS 18 16.508 15.114 -15.099 241 HE2 LYS 18 HE2 LYS 18 17.042 13.599 -16.953 242 HE3 LYS 18 HE1 LYS 18 16.494 14.796 -18.128 243 HZ1 LYS 18 HZ1 LYS 18 18.885 14.761 -17.946 244 HZ2 LYS 18 HZ2 LYS 18 18.803 15.108 -16.295 245 HZ3 LYS 18 HZ3 LYS 18 18.279 16.249 -17.423 246 H SER 19 HN SER 19 12.056 12.891 -15.722 247 HA SER 19 HA SER 19 11.642 10.549 -17.390 248 HB2 SER 19 HB2 SER 19 13.772 10.379 -15.190 249 HB3 SER 19 HB1 SER 19 13.319 9.131 -16.351 250 HG SER 19 HG SER 19 14.044 10.902 -17.937 251 H ILE 20 HN ILE 20 10.416 8.959 -16.272 252 HA ILE 20 HA ILE 20 9.723 9.379 -13.421 253 HB ILE 20 HB ILE 20 7.347 8.788 -13.851 254 HG12 ILE 20 HG12 ILE 20 8.137 8.817 -16.802 255 HG13 ILE 20 HG11 ILE 20 7.530 7.441 -15.883 256 HG21 ILE 20 HG21 ILE 20 6.588 10.874 -14.881 257 HG22 ILE 20 HG22 ILE 20 8.199 11.143 -15.550 258 HG23 ILE 20 HG23 ILE 20 7.954 11.167 -13.802 259 HD11 ILE 20 HD11 ILE 20 5.809 8.295 -17.325 260 HD12 ILE 20 HD12 ILE 20 5.981 9.915 -16.656 261 HD13 ILE 20 HD13 ILE 20 5.353 8.606 -15.649 262 H TYR 21 HN TYR 21 8.466 7.280 -12.660 263 HA TYR 21 HA TYR 21 9.345 4.889 -14.174 264 HB2 TYR 21 HB2 TYR 21 9.238 5.183 -11.136 265 HB3 TYR 21 HB1 TYR 21 9.445 3.650 -11.977 266 HD1 TYR 21 HD2 TYR 21 11.555 3.251 -13.373 267 HD2 TYR 21 HD1 TYR 21 11.124 6.669 -10.822 268 HE1 TYR 21 HE2 TYR 21 13.981 3.592 -13.404 269 HE2 TYR 21 HE1 TYR 21 13.555 7.013 -10.877 270 HH TYR 21 HH TYR 21 15.612 5.352 -13.060 271 H TRP 22 HN TRP 22 7.616 4.139 -15.106 272 HA TRP 22 HA TRP 22 4.952 4.107 -13.864 273 HB2 TRP 22 HB2 TRP 22 6.035 4.094 -16.631 274 HB3 TRP 22 HB1 TRP 22 4.754 2.909 -16.415 275 HD1 TRP 22 HD1 TRP 22 4.884 6.523 -14.959 276 HE1 TRP 22 HE1 TRP 22 2.855 7.793 -15.880 277 HE3 TRP 22 HE3 TRP 22 2.963 2.895 -17.979 278 HZ2 TRP 22 HZ2 TRP 22 0.717 7.334 -17.673 279 HZ3 TRP 22 HZ3 TRP 22 0.916 3.378 -19.252 280 HH2 TRP 22 HH2 TRP 22 -0.180 5.545 -19.085 281 H ARG 23 HN ARG 23 3.716 1.976 -14.497 282 HA ARG 23 HA ARG 23 5.300 -0.428 -14.654 283 HB2 ARG 23 HB2 ARG 23 5.396 0.033 -12.245 284 HB3 ARG 23 HB1 ARG 23 3.643 0.104 -12.162 285 HG2 ARG 23 HG2 ARG 23 3.402 -2.226 -12.417 286 HG3 ARG 23 HG1 ARG 23 5.017 -2.426 -13.103 287 HD2 ARG 23 HD2 ARG 23 4.790 -3.254 -10.737 288 HD3 ARG 23 HD1 ARG 23 6.060 -2.048 -10.948 289 HE ARG 23 HE ARG 23 3.430 -1.617 -9.651 290 HH11 ARG 23 HH11 ARG 23 6.731 -0.515 -10.188 291 HH12 ARG 23 HH12 ARG 23 6.622 0.777 -9.045 292 HH21 ARG 23 HH21 ARG 23 3.289 0.118 -8.189 293 HH22 ARG 23 HH22 ARG 23 4.656 1.148 -7.920 294 H VAL 24 HN VAL 24 4.339 -1.275 -16.288 295 HA VAL 24 HA VAL 24 1.385 -1.573 -16.397 296 HB VAL 24 HB VAL 24 1.600 -1.711 -18.869 297 HG11 VAL 24 HG11 VAL 24 2.893 0.815 -17.764 298 HG12 VAL 24 HG12 VAL 24 1.160 0.508 -17.903 299 HG13 VAL 24 HG13 VAL 24 2.146 0.653 -19.357 300 HG21 VAL 24 HG21 VAL 24 3.871 -2.634 -19.058 301 HG22 VAL 24 HG22 VAL 24 4.560 -1.130 -18.446 302 HG23 VAL 24 HG23 VAL 24 3.745 -1.152 -20.013 303 H ASP 25 HN ASP 25 0.851 -3.577 -17.826 304 HA ASP 25 HA ASP 25 1.721 -6.011 -16.763 305 HB2 ASP 25 HB2 ASP 25 -0.386 -5.564 -18.073 306 HB3 ASP 25 HB1 ASP 25 0.561 -5.448 -19.555 307 H ASP 26 HN ASP 26 3.223 -7.629 -17.541 308 HA ASP 26 HA ASP 26 5.705 -6.546 -18.439 309 HB2 ASP 26 HB2 ASP 26 5.465 -8.426 -16.807 310 HB3 ASP 26 HB1 ASP 26 4.918 -9.464 -18.113 311 H ASP 27 HN ASP 27 3.144 -8.320 -20.008 312 HA ASP 27 HA ASP 27 4.568 -8.859 -22.466 313 HB2 ASP 27 HB2 ASP 27 1.630 -9.164 -21.705 314 HB3 ASP 27 HB1 ASP 27 2.307 -9.660 -23.254 315 H ALA 28 HN ALA 28 3.022 -6.122 -21.176 316 HA ALA 28 HA ALA 28 2.055 -4.881 -23.559 317 HB1 ALA 28 HB1 ALA 28 2.144 -2.786 -22.265 318 HB2 ALA 28 HB2 ALA 28 3.074 -3.596 -20.999 319 HB3 ALA 28 HB3 ALA 28 1.409 -4.084 -21.324 320 H THR 29 HN THR 29 3.122 -2.998 -24.614 321 HA THR 29 HA THR 29 6.081 -3.204 -24.732 322 HB THR 29 HB THR 29 5.971 -3.049 -27.219 323 HG1 THR 29 HG1 THR 29 3.214 -3.678 -27.075 324 HG21 THR 29 HG21 THR 29 4.370 -5.411 -26.143 325 HG22 THR 29 HG22 THR 29 6.134 -5.313 -26.216 326 HG23 THR 29 HG23 THR 29 5.187 -5.343 -27.706 327 H VAL 30 HN VAL 30 6.829 -1.348 -26.365 328 HA VAL 30 HA VAL 30 6.641 1.063 -25.005 329 HB VAL 30 HB VAL 30 8.572 0.642 -26.335 330 HG11 VAL 30 HG11 VAL 30 6.817 0.486 -28.806 331 HG12 VAL 30 HG12 VAL 30 7.632 -0.863 -28.011 332 HG13 VAL 30 HG13 VAL 30 8.582 0.403 -28.792 333 HG21 VAL 30 HG21 VAL 30 7.081 2.913 -27.714 334 HG22 VAL 30 HG22 VAL 30 8.829 2.670 -27.725 335 HG23 VAL 30 HG23 VAL 30 8.001 3.041 -26.213 336 H GLY 31 HN GLY 31 4.759 -0.049 -27.764 337 HA2 GLY 31 HA2 GLY 31 3.377 2.370 -28.342 338 HA3 GLY 31 HA1 GLY 31 2.913 0.751 -28.842 339 H ASP 32 HN ASP 32 2.576 -0.425 -26.292 340 HA ASP 32 HA ASP 32 -0.004 0.404 -25.482 341 HB2 ASP 32 HB2 ASP 32 0.780 -1.920 -25.167 342 HB3 ASP 32 HB1 ASP 32 2.007 -1.379 -24.030 343 H VAL 33 HN VAL 33 3.223 1.093 -24.250 344 HA VAL 33 HA VAL 33 2.561 2.367 -21.824 345 HB VAL 33 HB VAL 33 4.975 2.556 -23.661 346 HG11 VAL 33 HG11 VAL 33 6.194 3.732 -21.855 347 HG12 VAL 33 HG12 VAL 33 4.690 3.877 -20.944 348 HG13 VAL 33 HG13 VAL 33 4.866 4.704 -22.491 349 HG21 VAL 33 HG21 VAL 33 4.580 1.249 -20.941 350 HG22 VAL 33 HG22 VAL 33 6.089 1.254 -21.862 351 HG23 VAL 33 HG23 VAL 33 4.674 0.410 -22.495 352 H LEU 34 HN LEU 34 3.442 3.937 -24.963 353 HA LEU 34 HA LEU 34 2.590 6.502 -24.105 354 HB2 LEU 34 HB2 LEU 34 2.701 7.122 -26.587 355 HB3 LEU 34 HB1 LEU 34 4.167 6.605 -25.783 356 HG LEU 34 HG LEU 34 3.609 4.249 -26.849 357 HD11 LEU 34 HD11 LEU 34 2.092 6.056 -28.734 358 HD12 LEU 34 HD12 LEU 34 1.402 4.788 -27.716 359 HD13 LEU 34 HD13 LEU 34 2.509 4.364 -29.019 360 HD21 LEU 34 HD21 LEU 34 5.601 5.611 -27.357 361 HD22 LEU 34 HD22 LEU 34 4.676 6.520 -28.555 362 HD23 LEU 34 HD23 LEU 34 4.978 4.796 -28.791 363 H ARG 35 HN ARG 35 0.828 3.887 -25.678 364 HA ARG 35 HA ARG 35 -1.576 5.136 -26.269 365 HB2 ARG 35 HB2 ARG 35 -1.327 2.848 -26.871 366 HB3 ARG 35 HB1 ARG 35 -0.967 2.354 -25.230 367 HG2 ARG 35 HG2 ARG 35 -3.219 1.632 -26.124 368 HG3 ARG 35 HG1 ARG 35 -3.272 2.479 -24.572 369 HD2 ARG 35 HD2 ARG 35 -3.906 4.542 -25.677 370 HD3 ARG 35 HD1 ARG 35 -3.813 3.768 -27.275 371 HE ARG 35 HE ARG 35 -5.657 2.260 -26.009 372 HH11 ARG 35 HH11 ARG 35 -5.360 5.760 -26.175 373 HH12 ARG 35 HH12 ARG 35 -7.071 6.021 -26.229 374 HH21 ARG 35 HH21 ARG 35 -7.920 2.659 -26.076 375 HH22 ARG 35 HH22 ARG 35 -8.503 4.283 -26.178 376 H SER 36 HN SER 36 -0.522 3.884 -23.128 377 HA SER 36 HA SER 36 -2.936 4.697 -21.798 378 HB2 SER 36 HB2 SER 36 -0.311 3.747 -20.649 379 HB3 SER 36 HB1 SER 36 -1.863 3.809 -19.820 380 HG SER 36 HG SER 36 -0.999 2.098 -21.869 381 H LEU 37 HN LEU 37 0.272 6.110 -22.294 382 HA LEU 37 HA LEU 37 0.320 8.094 -20.325 383 HB2 LEU 37 HB2 LEU 37 1.737 7.700 -22.919 384 HB3 LEU 37 HB1 LEU 37 1.680 9.358 -22.385 385 HG LEU 37 HG LEU 37 3.769 8.428 -21.687 386 HD11 LEU 37 HD11 LEU 37 2.765 9.976 -20.095 387 HD12 LEU 37 HD12 LEU 37 3.746 8.771 -19.272 388 HD13 LEU 37 HD13 LEU 37 1.984 8.639 -19.244 389 HD21 LEU 37 HD21 LEU 37 3.311 6.089 -21.758 390 HD22 LEU 37 HD22 LEU 37 2.252 6.193 -20.356 391 HD23 LEU 37 HD23 LEU 37 3.980 6.498 -20.184 392 H GLU 38 HN GLU 38 -1.375 8.158 -23.465 393 HA GLU 38 HA GLU 38 -2.027 10.975 -23.264 394 HB2 GLU 38 HB2 GLU 38 -3.576 10.510 -25.216 395 HB3 GLU 38 HB1 GLU 38 -1.875 10.193 -25.470 396 HG2 GLU 38 HG2 GLU 38 -2.781 8.360 -26.507 397 HG3 GLU 38 HG1 GLU 38 -2.512 7.706 -24.898 398 H ALA 39 HN ALA 39 -3.500 8.037 -22.188 399 HA ALA 39 HA ALA 39 -6.121 9.073 -21.679 400 HB1 ALA 39 HB1 ALA 39 -4.674 6.681 -20.472 401 HB2 ALA 39 HB2 ALA 39 -5.696 6.666 -21.913 402 HB3 ALA 39 HB3 ALA 39 -6.408 7.009 -20.336 403 H GLU 40 HN GLU 40 -3.097 8.954 -19.914 404 HA GLU 40 HA GLU 40 -4.117 9.968 -17.404 405 HB2 GLU 40 HB2 GLU 40 -1.273 9.864 -18.492 406 HB3 GLU 40 HB1 GLU 40 -1.717 10.206 -16.819 407 HG2 GLU 40 HG2 GLU 40 -2.245 7.598 -18.266 408 HG3 GLU 40 HG1 GLU 40 -0.872 7.944 -17.227 409 H TYR 41 HN TYR 41 -2.039 11.241 -19.990 410 HA TYR 41 HA TYR 41 -2.213 13.928 -18.887 411 HB2 TYR 41 HB2 TYR 41 -0.213 12.709 -20.825 412 HB3 TYR 41 HB1 TYR 41 -0.186 14.392 -20.307 413 HD1 TYR 41 HD2 TYR 41 0.428 10.901 -19.245 414 HD2 TYR 41 HD1 TYR 41 0.590 15.001 -18.049 415 HE1 TYR 41 HE2 TYR 41 1.798 10.282 -17.300 416 HE2 TYR 41 HE1 TYR 41 1.961 14.374 -16.104 417 HH TYR 41 HH TYR 41 3.427 11.341 -15.767 418 H ASP 42 HN ASP 42 -3.621 15.256 -19.842 419 HA ASP 42 HA ASP 42 -4.740 14.947 -22.444 420 HB2 ASP 42 HB2 ASP 42 -4.639 17.445 -20.695 421 HB3 ASP 42 HB1 ASP 42 -5.676 17.220 -22.100 422 H GLY 43 HN GLY 43 -1.932 16.594 -21.171 423 HA2 GLY 43 HA2 GLY 43 -1.264 18.116 -23.525 424 HA3 GLY 43 HA1 GLY 43 -0.249 17.838 -22.118 425 H LEU 44 HN LEU 44 -1.069 14.790 -22.913 426 HA LEU 44 HA LEU 44 0.999 14.477 -25.020 427 HB2 LEU 44 HB2 LEU 44 0.130 12.532 -22.877 428 HB3 LEU 44 HB1 LEU 44 1.190 12.103 -24.195 429 HG LEU 44 HG LEU 44 1.809 14.094 -21.985 430 HD11 LEU 44 HD11 LEU 44 1.879 11.789 -21.194 431 HD12 LEU 44 HD12 LEU 44 3.499 12.477 -21.255 432 HD13 LEU 44 HD13 LEU 44 2.975 11.345 -22.506 433 HD21 LEU 44 HD21 LEU 44 3.565 13.207 -24.294 434 HD22 LEU 44 HD22 LEU 44 4.080 14.207 -22.930 435 HD23 LEU 44 HD23 LEU 44 2.871 14.814 -24.056 436 H ALA 45 HN ALA 45 -2.224 14.701 -24.736 437 HA ALA 45 HA ALA 45 -3.178 12.303 -25.983 438 HB1 ALA 45 HB1 ALA 45 -5.318 13.494 -26.109 439 HB2 ALA 45 HB2 ALA 45 -4.520 15.006 -25.667 440 HB3 ALA 45 HB3 ALA 45 -4.582 13.671 -24.515 441 H GLY 46 HN GLY 46 -2.949 11.774 -28.099 442 HA2 GLY 46 HA2 GLY 46 -3.468 11.884 -30.351 443 HA3 GLY 46 HA1 GLY 46 -3.845 13.585 -30.180 444 H ARG 47 HN ARG 47 -0.767 12.820 -28.987 445 HA ARG 47 HA ARG 47 0.566 13.810 -31.460 446 HB2 ARG 47 HB2 ARG 47 2.028 15.165 -29.904 447 HB3 ARG 47 HB1 ARG 47 0.335 15.670 -29.927 448 HG2 ARG 47 HG2 ARG 47 0.048 14.141 -27.854 449 HG3 ARG 47 HG1 ARG 47 1.812 14.136 -27.776 450 HD2 ARG 47 HD2 ARG 47 0.802 15.802 -26.281 451 HD3 ARG 47 HD1 ARG 47 1.822 16.552 -27.480 452 HE ARG 47 HE ARG 47 -0.791 16.554 -28.474 453 HH11 ARG 47 HH11 ARG 47 0.962 18.078 -25.839 454 HH12 ARG 47 HH12 ARG 47 -0.121 19.428 -25.748 455 HH21 ARG 47 HH21 ARG 47 -2.186 18.341 -28.338 456 HH22 ARG 47 HH22 ARG 47 -1.894 19.572 -27.155 457 H LEU 48 HN LEU 48 0.297 11.242 -29.515 458 HA LEU 48 HA LEU 48 3.103 10.360 -29.778 459 HB2 LEU 48 HB2 LEU 48 3.140 9.430 -27.610 460 HB3 LEU 48 HB1 LEU 48 2.454 11.024 -27.398 461 HG LEU 48 HG LEU 48 1.148 8.309 -27.088 462 HD11 LEU 48 HD11 LEU 48 0.448 9.226 -24.910 463 HD12 LEU 48 HD12 LEU 48 1.257 10.746 -25.297 464 HD13 LEU 48 HD13 LEU 48 2.199 9.266 -25.122 465 HD21 LEU 48 HD21 LEU 48 -0.441 10.876 -27.360 466 HD22 LEU 48 HD22 LEU 48 -1.064 9.294 -26.897 467 HD23 LEU 48 HD23 LEU 48 -0.425 9.543 -28.510 468 H ILE 49 HN ILE 49 -0.178 9.779 -30.410 469 HA ILE 49 HA ILE 49 0.487 7.176 -31.643 470 HB ILE 49 HB ILE 49 -2.127 7.901 -30.255 471 HG12 ILE 49 HG12 ILE 49 -0.162 5.617 -29.869 472 HG13 ILE 49 HG11 ILE 49 -0.503 6.924 -28.738 473 HG21 ILE 49 HG21 ILE 49 -3.113 5.786 -31.136 474 HG22 ILE 49 HG22 ILE 49 -1.669 5.529 -32.118 475 HG23 ILE 49 HG23 ILE 49 -2.721 6.907 -32.442 476 HD11 ILE 49 HD11 ILE 49 -2.453 4.769 -29.553 477 HD12 ILE 49 HD12 ILE 49 -2.725 6.031 -28.347 478 HD13 ILE 49 HD13 ILE 49 -1.496 4.798 -28.079 479 H GLU 50 HN GLU 50 0.188 7.211 -33.804 480 HA GLU 50 HA GLU 50 -1.994 8.849 -34.947 481 HB2 GLU 50 HB2 GLU 50 0.170 9.941 -35.465 482 HB3 GLU 50 HB1 GLU 50 0.759 8.460 -36.199 483 HG2 GLU 50 HG2 GLU 50 0.073 10.073 -37.902 484 HG3 GLU 50 HG1 GLU 50 -0.948 8.634 -37.961 485 H ASP 51 HN ASP 51 -3.437 7.286 -35.419 486 HA ASP 51 HA ASP 51 -4.492 5.639 -36.572 487 HB2 ASP 51 HB2 ASP 51 -3.519 7.037 -38.433 488 HB3 ASP 51 HB1 ASP 51 -2.128 5.966 -38.479 489 H GLY 52 HN GLY 52 -2.555 4.854 -34.505 490 HA2 GLY 52 HA2 GLY 52 -2.373 2.747 -33.532 491 HA3 GLY 52 HA1 GLY 52 -2.518 1.993 -35.105 492 H GLU 53 HN GLU 53 -0.184 4.280 -35.608 493 HA GLU 53 HA GLU 53 2.037 2.700 -34.401 494 HB2 GLU 53 HB2 GLU 53 3.566 3.805 -35.946 495 HB3 GLU 53 HB1 GLU 53 2.267 3.042 -36.863 496 HG2 GLU 53 HG2 GLU 53 1.283 5.072 -37.425 497 HG3 GLU 53 HG1 GLU 53 2.034 5.956 -36.110 498 H VAL 54 HN VAL 54 4.006 4.538 -34.099 499 HA VAL 54 HA VAL 54 3.188 5.966 -31.793 500 HB VAL 54 HB VAL 54 5.508 7.023 -31.872 501 HG11 VAL 54 HG11 VAL 54 6.664 4.924 -31.308 502 HG12 VAL 54 HG12 VAL 54 5.377 3.996 -32.084 503 HG13 VAL 54 HG13 VAL 54 5.030 4.943 -30.639 504 HG21 VAL 54 HG21 VAL 54 5.899 6.999 -34.320 505 HG22 VAL 54 HG22 VAL 54 5.875 5.234 -34.318 506 HG23 VAL 54 HG23 VAL 54 7.167 6.097 -33.478 507 H LYS 55 HN LYS 55 4.194 7.300 -35.035 508 HA LYS 55 HA LYS 55 2.481 9.197 -35.641 509 HB2 LYS 55 HB2 LYS 55 2.381 10.197 -33.440 510 HB3 LYS 55 HB1 LYS 55 4.102 10.403 -33.361 511 HG2 LYS 55 HG2 LYS 55 3.347 12.576 -33.727 512 HG3 LYS 55 HG1 LYS 55 3.731 12.053 -35.367 513 HD2 LYS 55 HD2 LYS 55 1.572 13.220 -35.322 514 HD3 LYS 55 HD1 LYS 55 1.354 11.528 -35.776 515 HE2 LYS 55 HE2 LYS 55 0.657 11.013 -33.446 516 HE3 LYS 55 HE1 LYS 55 0.838 12.716 -33.025 517 HZ1 LYS 55 HZ1 LYS 55 -1.076 11.599 -35.001 518 HZ2 LYS 55 HZ2 LYS 55 -0.892 13.236 -34.634 519 HZ3 LYS 55 HZ3 LYS 55 -1.452 12.168 -33.454 520 HA PRO 56 HA PRO 56 5.946 10.155 -38.484 521 HB2 PRO 56 HB2 PRO 56 4.620 12.348 -39.633 522 HB3 PRO 56 HB1 PRO 56 4.437 10.672 -40.173 523 HG2 PRO 56 HG2 PRO 56 2.704 12.251 -38.263 524 HG3 PRO 56 HG1 PRO 56 2.202 11.209 -39.603 525 HD2 PRO 56 HD2 PRO 56 2.081 10.290 -37.144 526 HD3 PRO 56 HD1 PRO 56 2.713 9.231 -38.426 527 H HIS 57 HN HIS 57 7.657 11.246 -37.791 528 HA HIS 57 HA HIS 57 9.047 12.961 -37.372 529 HB2 HIS 57 HB2 HIS 57 6.577 14.708 -37.062 530 HB3 HIS 57 HB1 HIS 57 8.230 15.309 -36.943 531 HD1 HIS 57 HD1 HIS 57 9.513 15.704 -39.100 532 HD2 HIS 57 HD2 HIS 57 5.852 13.840 -39.730 533 HE1 HIS 57 HE1 HIS 57 9.169 15.702 -41.592 534 HE2 HIS 57 HE2 HIS 57 6.995 14.494 -41.952 535 H VAL 58 HN VAL 58 6.771 11.868 -35.039 536 HA VAL 58 HA VAL 58 7.971 13.164 -32.775 537 HB VAL 58 HB VAL 58 5.647 11.924 -32.855 538 HG11 VAL 58 HG11 VAL 58 7.353 9.536 -32.097 539 HG12 VAL 58 HG12 VAL 58 6.430 9.710 -33.589 540 HG13 VAL 58 HG13 VAL 58 5.590 9.615 -32.041 541 HG21 VAL 58 HG21 VAL 58 6.524 13.022 -30.850 542 HG22 VAL 58 HG22 VAL 58 7.451 11.577 -30.441 543 HG23 VAL 58 HG23 VAL 58 5.685 11.528 -30.419 544 H ASN 59 HN ASN 59 9.936 12.689 -31.848 545 HA ASN 59 HA ASN 59 11.427 10.372 -32.912 546 HB2 ASN 59 HB2 ASN 59 12.347 12.786 -31.296 547 HB3 ASN 59 HB1 ASN 59 13.404 11.468 -31.782 548 HD21 ASN 59 HD21 ASN 59 13.931 11.234 -33.994 549 HD22 ASN 59 HD22 ASN 59 13.732 12.532 -35.114 550 H VAL 60 HN VAL 60 10.894 8.590 -31.807 551 HA VAL 60 HA VAL 60 10.846 8.703 -28.844 552 HB VAL 60 HB VAL 60 9.279 6.649 -29.031 553 HG11 VAL 60 HG11 VAL 60 7.247 8.083 -29.115 554 HG12 VAL 60 HG12 VAL 60 8.198 9.403 -29.802 555 HG13 VAL 60 HG13 VAL 60 8.523 8.843 -28.158 556 HG21 VAL 60 HG21 VAL 60 7.818 6.553 -31.019 557 HG22 VAL 60 HG22 VAL 60 9.498 6.235 -31.449 558 HG23 VAL 60 HG23 VAL 60 8.780 7.809 -31.802 559 H LEU 61 HN LEU 61 11.931 7.221 -27.781 560 HA LEU 61 HA LEU 61 13.776 5.483 -29.262 561 HB2 LEU 61 HB2 LEU 61 14.340 7.302 -26.915 562 HB3 LEU 61 HB1 LEU 61 15.436 6.021 -27.396 563 HG LEU 61 HG LEU 61 15.523 7.203 -29.669 564 HD11 LEU 61 HD11 LEU 61 13.663 8.657 -29.580 565 HD12 LEU 61 HD12 LEU 61 15.125 9.632 -29.670 566 HD13 LEU 61 HD13 LEU 61 14.281 9.444 -28.130 567 HD21 LEU 61 HD21 LEU 61 17.276 8.749 -28.952 568 HD22 LEU 61 HD22 LEU 61 17.402 7.208 -28.106 569 HD23 LEU 61 HD23 LEU 61 16.716 8.613 -27.283 570 H LYS 62 HN LYS 62 14.955 3.999 -27.759 571 HA LYS 62 HA LYS 62 13.506 2.879 -25.519 572 HB2 LYS 62 HB2 LYS 62 12.203 1.956 -27.360 573 HB3 LYS 62 HB1 LYS 62 13.648 1.505 -28.238 574 HG2 LYS 62 HG2 LYS 62 12.571 -0.458 -27.387 575 HG3 LYS 62 HG1 LYS 62 14.111 -0.250 -26.567 576 HD2 LYS 62 HD2 LYS 62 11.624 0.832 -25.241 577 HD3 LYS 62 HD1 LYS 62 11.876 -0.914 -25.248 578 HE2 LYS 62 HE2 LYS 62 13.751 1.179 -24.105 579 HE3 LYS 62 HE1 LYS 62 12.783 0.008 -23.205 580 HZ1 LYS 62 HZ1 LYS 62 14.936 -0.723 -25.125 581 HZ2 LYS 62 HZ2 LYS 62 14.052 -1.776 -24.135 582 HZ3 LYS 62 HZ3 LYS 62 15.114 -0.662 -23.445 583 H ASN 63 HN ASN 63 15.281 2.851 -24.262 584 HA ASN 63 HA ASN 63 17.339 2.470 -23.397 585 HB2 ASN 63 HB2 ASN 63 16.411 0.078 -23.978 586 HB3 ASN 63 HB1 ASN 63 17.607 0.079 -25.261 587 HD21 ASN 63 HD21 ASN 63 17.315 -1.629 -22.835 588 HD22 ASN 63 HD22 ASN 63 18.831 -1.519 -22.017 589 H GLY 64 HN GLY 64 17.199 4.319 -25.506 590 HA2 GLY 64 HA2 GLY 64 18.822 5.739 -26.407 591 HA3 GLY 64 HA1 GLY 64 19.981 4.426 -26.402 592 H ARG 65 HN ARG 65 17.551 2.904 -27.816 593 HA ARG 65 HA ARG 65 18.416 3.579 -30.548 594 HB2 ARG 65 HB2 ARG 65 18.596 1.206 -29.832 595 HB3 ARG 65 HB1 ARG 65 16.864 1.152 -29.520 596 HG2 ARG 65 HG2 ARG 65 17.417 0.090 -31.671 597 HG3 ARG 65 HG1 ARG 65 16.399 1.506 -31.911 598 HD2 ARG 65 HD2 ARG 65 18.209 1.375 -33.588 599 HD3 ARG 65 HD1 ARG 65 18.346 2.826 -32.594 600 HE ARG 65 HE ARG 65 19.994 0.389 -32.176 601 HH11 ARG 65 HH11 ARG 65 19.755 3.885 -32.227 602 HH12 ARG 65 HH12 ARG 65 21.440 4.125 -31.902 603 HH21 ARG 65 HH21 ARG 65 22.203 0.727 -31.765 604 HH22 ARG 65 HH22 ARG 65 22.823 2.341 -31.644 605 H GLU 66 HN GLU 66 17.114 4.761 -31.812 606 HA GLU 66 HA GLU 66 14.558 5.641 -30.823 607 HB2 GLU 66 HB2 GLU 66 16.394 7.082 -31.933 608 HB3 GLU 66 HB1 GLU 66 15.816 6.447 -33.465 609 HG2 GLU 66 HG2 GLU 66 13.578 7.418 -33.008 610 HG3 GLU 66 HG1 GLU 66 14.160 8.010 -31.468 611 H VAL 67 HN VAL 67 12.824 4.434 -31.129 612 HA VAL 67 HA VAL 67 12.662 2.242 -32.945 613 HB VAL 67 HB VAL 67 10.439 1.822 -31.969 614 HG11 VAL 67 HG11 VAL 67 12.602 2.480 -29.938 615 HG12 VAL 67 HG12 VAL 67 12.438 0.976 -30.850 616 HG13 VAL 67 HG13 VAL 67 11.215 1.420 -29.657 617 HG21 VAL 67 HG21 VAL 67 10.867 4.405 -30.402 618 HG22 VAL 67 HG22 VAL 67 9.565 3.241 -30.134 619 HG23 VAL 67 HG23 VAL 67 9.643 4.140 -31.648 620 H VAL 68 HN VAL 68 12.074 5.456 -33.661 621 HA VAL 68 HA VAL 68 9.921 5.133 -35.536 622 HB VAL 68 HB VAL 68 10.511 7.311 -36.410 623 HG11 VAL 68 HG11 VAL 68 10.518 8.665 -34.339 624 HG12 VAL 68 HG12 VAL 68 10.959 7.235 -33.404 625 HG13 VAL 68 HG13 VAL 68 9.398 7.306 -34.229 626 HG21 VAL 68 HG21 VAL 68 13.149 7.089 -34.894 627 HG22 VAL 68 HG22 VAL 68 12.573 8.534 -35.731 628 HG23 VAL 68 HG23 VAL 68 12.949 7.076 -36.649 629 H HIS 69 HN HIS 69 13.280 4.334 -35.573 630 HA HIS 69 HA HIS 69 13.533 4.061 -38.475 631 HB2 HIS 69 HB2 HIS 69 15.499 3.197 -36.305 632 HB3 HIS 69 HB1 HIS 69 15.843 3.394 -38.022 633 HD1 HIS 69 HD1 HIS 69 15.064 6.135 -38.711 634 HD2 HIS 69 HD2 HIS 69 16.600 5.220 -34.958 635 HE1 HIS 69 HE1 HIS 69 15.906 8.313 -37.787 636 HE2 HIS 69 HE2 HIS 69 16.616 7.772 -35.443 637 H LEU 70 HN LEU 70 12.557 2.189 -35.790 638 HA LEU 70 HA LEU 70 12.368 -0.260 -37.391 639 HB2 LEU 70 HB2 LEU 70 12.913 -1.621 -35.333 640 HB3 LEU 70 HB1 LEU 70 14.274 -0.783 -36.049 641 HG LEU 70 HG LEU 70 12.829 0.349 -33.607 642 HD11 LEU 70 HD11 LEU 70 14.546 -0.678 -32.176 643 HD12 LEU 70 HD12 LEU 70 15.211 -1.539 -33.567 644 HD13 LEU 70 HD13 LEU 70 13.582 -1.907 -32.996 645 HD21 LEU 70 HD21 LEU 70 15.639 0.771 -34.686 646 HD22 LEU 70 HD22 LEU 70 14.968 1.507 -33.227 647 HD23 LEU 70 HD23 LEU 70 14.296 1.911 -34.803 648 H ASP 71 HN ASP 71 11.206 -1.355 -34.606 649 HA ASP 71 HA ASP 71 8.481 -0.764 -35.428 650 HB2 ASP 71 HB2 ASP 71 9.651 -3.035 -34.487 651 HB3 ASP 71 HB1 ASP 71 9.012 -2.437 -32.981 652 H GLY 72 HN GLY 72 7.610 1.101 -34.686 653 HA2 GLY 72 HA2 GLY 72 8.422 2.449 -32.311 654 HA3 GLY 72 HA1 GLY 72 7.047 2.865 -33.308 655 H MET 73 HN MET 73 5.728 0.349 -33.112 656 HA MET 73 HA MET 73 4.363 0.800 -30.599 657 HB2 MET 73 HB2 MET 73 3.718 -0.689 -33.137 658 HB3 MET 73 HB1 MET 73 2.822 -1.093 -31.673 659 HG2 MET 73 HG2 MET 73 3.085 1.735 -32.730 660 HG3 MET 73 HG1 MET 73 1.727 0.665 -33.104 661 HE1 MET 73 HE1 MET 73 0.583 3.349 -30.231 662 HE2 MET 73 HE2 MET 73 0.385 2.960 -31.943 663 HE3 MET 73 HE3 MET 73 1.907 3.639 -31.357 664 H ALA 74 HN ALA 74 6.385 -1.795 -31.921 665 HA ALA 74 HA ALA 74 6.526 -3.055 -29.285 666 HB1 ALA 74 HB1 ALA 74 5.712 -5.260 -29.997 667 HB2 ALA 74 HB2 ALA 74 5.345 -4.626 -31.604 668 HB3 ALA 74 HB3 ALA 74 4.453 -4.039 -30.198 669 H THR 75 HN THR 75 8.720 -2.312 -29.687 670 HA THR 75 HA THR 75 10.345 -3.656 -31.666 671 HB THR 75 HB THR 75 10.944 -1.398 -31.283 672 HG1 THR 75 HG1 THR 75 12.751 -2.796 -31.492 673 HG21 THR 75 HG21 THR 75 9.946 -1.067 -29.062 674 HG22 THR 75 HG22 THR 75 11.606 -0.472 -29.109 675 HG23 THR 75 HG23 THR 75 11.245 -2.009 -28.329 676 H ALA 76 HN ALA 76 10.540 -3.624 -28.039 677 HA ALA 76 HA ALA 76 11.362 -6.262 -27.638 678 HB1 ALA 76 HB1 ALA 76 13.307 -5.674 -29.066 679 HB2 ALA 76 HB2 ALA 76 13.830 -6.023 -27.419 680 HB3 ALA 76 HB3 ALA 76 13.724 -4.349 -27.977 681 H LEU 77 HN LEU 77 9.783 -4.259 -26.262 682 HA LEU 77 HA LEU 77 11.302 -3.011 -24.173 683 HB2 LEU 77 HB2 LEU 77 9.233 -1.997 -25.114 684 HB3 LEU 77 HB1 LEU 77 8.296 -3.305 -24.412 685 HG LEU 77 HG LEU 77 8.892 -2.569 -22.136 686 HD11 LEU 77 HD11 LEU 77 10.099 -0.478 -21.749 687 HD12 LEU 77 HD12 LEU 77 10.409 -0.321 -23.476 688 HD13 LEU 77 HD13 LEU 77 11.117 -1.660 -22.567 689 HD21 LEU 77 HD21 LEU 77 7.643 -0.467 -22.071 690 HD22 LEU 77 HD22 LEU 77 6.877 -1.620 -23.157 691 HD23 LEU 77 HD23 LEU 77 7.827 -0.286 -23.817 692 H ASP 78 HN ASP 78 11.297 -3.479 -21.949 693 HA ASP 78 HA ASP 78 10.521 -6.182 -21.033 694 HB2 ASP 78 HB2 ASP 78 12.822 -6.088 -22.308 695 HB3 ASP 78 HB1 ASP 78 13.411 -5.148 -20.952 696 H ASP 79 HN ASP 79 11.708 -6.283 -18.619 697 HA ASP 79 HA ASP 79 10.487 -4.125 -17.129 698 HB2 ASP 79 HB2 ASP 79 11.067 -5.440 -15.104 699 HB3 ASP 79 HB1 ASP 79 10.207 -6.397 -16.298 700 H GLY 80 HN GLY 80 11.493 -2.759 -15.589 701 HA2 GLY 80 HA2 GLY 80 13.076 -1.266 -14.873 702 HA3 GLY 80 HA1 GLY 80 14.277 -2.514 -15.153 703 H ASP 81 HN ASP 81 12.314 -1.418 -17.827 704 HA ASP 81 HA ASP 81 14.775 -0.682 -19.227 705 HB2 ASP 81 HB2 ASP 81 12.454 -2.131 -20.005 706 HB3 ASP 81 HB1 ASP 81 12.352 -0.632 -20.898 707 H ALA 82 HN ALA 82 15.161 1.277 -20.236 708 HA ALA 82 HA ALA 82 13.521 3.548 -19.298 709 HB1 ALA 82 HB1 ALA 82 15.489 4.934 -19.818 710 HB2 ALA 82 HB2 ALA 82 16.341 3.513 -20.438 711 HB3 ALA 82 HB3 ALA 82 15.897 3.606 -18.729 712 H VAL 83 HN VAL 83 11.943 4.097 -20.727 713 HA VAL 83 HA VAL 83 12.425 4.071 -23.647 714 HB VAL 83 HB VAL 83 9.805 4.581 -22.155 715 HG11 VAL 83 HG11 VAL 83 9.807 5.535 -24.426 716 HG12 VAL 83 HG12 VAL 83 8.711 4.156 -24.333 717 HG13 VAL 83 HG13 VAL 83 10.290 3.972 -25.100 718 HG21 VAL 83 HG21 VAL 83 10.557 2.302 -21.670 719 HG22 VAL 83 HG22 VAL 83 10.775 1.981 -23.394 720 HG23 VAL 83 HG23 VAL 83 9.157 2.266 -22.747 721 H SER 84 HN SER 84 13.409 5.938 -24.237 722 HA SER 84 HA SER 84 12.758 8.526 -23.040 723 HB2 SER 84 HB2 SER 84 14.695 7.740 -25.257 724 HB3 SER 84 HB1 SER 84 14.559 9.353 -24.571 725 HG SER 84 HG SER 84 14.855 7.548 -22.603 726 H VAL 85 HN VAL 85 11.782 10.281 -24.241 727 HA VAL 85 HA VAL 85 10.737 9.757 -26.931 728 HB VAL 85 HB VAL 85 8.457 10.482 -26.457 729 HG11 VAL 85 HG11 VAL 85 7.568 8.585 -25.162 730 HG12 VAL 85 HG12 VAL 85 9.185 8.233 -24.545 731 HG13 VAL 85 HG13 VAL 85 8.843 8.061 -26.267 732 HG21 VAL 85 HG21 VAL 85 7.623 10.856 -24.152 733 HG22 VAL 85 HG22 VAL 85 8.847 12.036 -24.623 734 HG23 VAL 85 HG23 VAL 85 9.274 10.704 -23.542 735 H PHE 86 HN PHE 86 10.319 11.581 -28.110 736 HA PHE 86 HA PHE 86 10.797 14.276 -27.005 737 HB2 PHE 86 HB2 PHE 86 11.954 13.243 -29.660 738 HB3 PHE 86 HB1 PHE 86 12.076 14.891 -29.069 739 HD1 PHE 86 HD2 PHE 86 13.083 11.375 -28.237 740 HD2 PHE 86 HD1 PHE 86 14.045 15.529 -27.882 741 HE1 PHE 86 HE2 PHE 86 15.259 10.803 -27.268 742 HE2 PHE 86 HE1 PHE 86 16.237 14.925 -26.928 743 HZ PHE 86 HZ PHE 86 16.837 12.540 -26.638 744 HA PRO 87 HA PRO 87 6.830 14.811 -29.284 745 HB2 PRO 87 HB2 PRO 87 6.975 17.601 -29.609 746 HB3 PRO 87 HB1 PRO 87 6.421 16.788 -28.139 747 HG2 PRO 87 HG2 PRO 87 9.150 17.866 -28.797 748 HG3 PRO 87 HG1 PRO 87 8.215 18.027 -27.295 749 HD2 PRO 87 HD2 PRO 87 10.192 16.260 -27.444 750 HD3 PRO 87 HD1 PRO 87 8.683 15.826 -26.611 751 HA PRO 88 HA PRO 88 7.698 14.885 -33.623 752 HB2 PRO 88 HB2 PRO 88 5.580 16.272 -34.748 753 HB3 PRO 88 HB1 PRO 88 5.485 14.604 -34.165 754 HG2 PRO 88 HG2 PRO 88 4.665 17.152 -32.781 755 HG3 PRO 88 HG1 PRO 88 3.813 15.595 -32.863 756 HD2 PRO 88 HD2 PRO 88 5.248 16.331 -30.670 757 HD3 PRO 88 HD1 PRO 88 5.158 14.630 -31.199 758 H VAL 89 HN VAL 89 9.056 15.933 -34.868 759 HA VAL 89 HA VAL 89 9.587 18.804 -34.425 760 HB VAL 89 HB VAL 89 11.848 18.345 -35.339 761 HG11 VAL 89 HG11 VAL 89 12.721 16.981 -33.463 762 HG12 VAL 89 HG12 VAL 89 11.082 16.442 -33.087 763 HG13 VAL 89 HG13 VAL 89 11.513 18.146 -32.913 764 HG21 VAL 89 HG21 VAL 89 12.596 16.023 -35.803 765 HG22 VAL 89 HG22 VAL 89 11.302 16.513 -36.896 766 HG23 VAL 89 HG23 VAL 89 10.948 15.439 -35.540 767 H ALA 90 HN ALA 90 10.158 20.123 -36.266 768 HA ALA 90 HA ALA 90 8.485 19.689 -38.574 769 HB1 ALA 90 HB1 ALA 90 9.322 21.882 -39.331 770 HB2 ALA 90 HB2 ALA 90 10.501 21.892 -38.013 771 HB3 ALA 90 HB3 ALA 90 8.776 21.936 -37.654 772 H GLY 91 HN GLY 91 9.054 18.547 -40.326 773 HA2 GLY 91 HA2 GLY 91 11.851 18.549 -41.296 774 HA3 GLY 91 HA1 GLY 91 11.008 17.017 -41.068 775 H GLY 92 HN GLY 92 11.723 19.393 -43.288 776 HA2 GLY 92 HA2 GLY 92 9.686 18.400 -45.197 777 HA3 GLY 92 HA1 GLY 92 9.848 20.137 -44.939 Start of MODEL 11 1 H1 GLY -13 HT1 GLY -13 -1.544 -17.474 -20.254 2 H2 GLY -13 HT2 GLY -13 -1.100 -18.754 -21.263 3 H3 GLY -13 HT3 GLY -13 -0.375 -17.241 -21.452 4 HA2 GLY -13 HA1 GLY -13 -0.094 -19.033 -19.115 5 HA3 GLY -13 HA2 GLY -13 1.125 -18.751 -20.349 6 H GLY -12 HN GLY -12 1.167 -18.276 -17.404 7 HA2 GLY -12 HA2 GLY -12 2.350 -16.743 -16.106 8 HA3 GLY -12 HA1 GLY -12 2.230 -15.548 -17.388 9 H GLY -11 HN GLY -11 1.849 -14.679 -14.884 10 HA2 GLY -11 HA2 GLY -11 -0.769 -14.717 -13.826 11 HA3 GLY -11 HA1 GLY -11 0.438 -13.480 -13.536 12 H ARG -10 HN ARG -10 0.876 -12.246 -15.799 13 HA ARG -10 HA ARG -10 0.210 -10.530 -17.096 14 HB2 ARG -10 HB2 ARG -10 -0.527 -12.811 -18.305 15 HB3 ARG -10 HB1 ARG -10 -2.141 -12.149 -18.099 16 HG2 ARG -10 HG2 ARG -10 0.090 -10.613 -19.466 17 HG3 ARG -10 HG1 ARG -10 -0.954 -11.731 -20.339 18 HD2 ARG -10 HD2 ARG -10 -2.881 -10.374 -19.946 19 HD3 ARG -10 HD1 ARG -10 -2.033 -9.390 -18.749 20 HE ARG -10 HE ARG -10 -0.552 -8.752 -20.722 21 HH11 ARG -10 HH11 ARG -10 -3.985 -9.423 -21.168 22 HH12 ARG -10 HH12 ARG -10 -4.153 -8.244 -22.432 23 HH21 ARG -10 HH21 ARG -10 -0.791 -7.239 -22.323 24 HH22 ARG -10 HH22 ARG -10 -2.332 -6.997 -23.086 25 H ASP -9 HN ASP -9 -0.345 -9.683 -14.899 26 HA ASP -9 HA ASP -9 -3.161 -8.852 -14.585 27 HB2 ASP -9 HB2 ASP -9 -2.823 -10.903 -13.205 28 HB3 ASP -9 HB1 ASP -9 -1.469 -10.140 -12.397 29 H TYR -8 HN TYR -8 -3.341 -6.906 -13.317 30 HA TYR -8 HA TYR -8 -1.019 -5.196 -13.948 31 HB2 TYR -8 HB2 TYR -8 -4.007 -4.634 -14.080 32 HB3 TYR -8 HB1 TYR -8 -2.775 -3.406 -14.334 33 HD1 TYR -8 HD1 TYR -8 -2.995 -6.958 -15.681 34 HD2 TYR -8 HD2 TYR -8 -2.956 -2.766 -16.586 35 HE1 TYR -8 HE1 TYR -8 -3.047 -7.460 -18.102 36 HE2 TYR -8 HE2 TYR -8 -2.989 -3.276 -18.986 37 HH TYR -8 HH TYR -8 -2.322 -5.202 -20.482 38 H LYS -7 HN LYS -7 -2.702 -6.331 -11.245 39 HA LYS -7 HA LYS -7 -2.128 -3.876 -9.694 40 HB2 LYS -7 HB2 LYS -7 -4.234 -4.367 -8.333 41 HB3 LYS -7 HB1 LYS -7 -4.470 -3.721 -9.944 42 HG2 LYS -7 HG2 LYS -7 -6.140 -5.403 -9.497 43 HG3 LYS -7 HG1 LYS -7 -5.069 -5.973 -10.775 44 HD2 LYS -7 HD2 LYS -7 -4.055 -7.584 -9.381 45 HD3 LYS -7 HD1 LYS -7 -4.624 -6.805 -7.896 46 HE2 LYS -7 HE2 LYS -7 -5.816 -8.925 -8.427 47 HE3 LYS -7 HE1 LYS -7 -6.898 -7.538 -8.325 48 HZ1 LYS -7 HZ1 LYS -7 -7.304 -9.090 -10.215 49 HZ2 LYS -7 HZ2 LYS -7 -5.839 -8.574 -10.886 50 HZ3 LYS -7 HZ3 LYS -7 -7.094 -7.469 -10.653 51 H ASP -6 HN ASP -6 -2.475 -4.388 -7.245 52 HA ASP -6 HA ASP -6 -1.974 -5.427 -5.310 53 HB2 ASP -6 HB2 ASP -6 -2.890 -7.551 -6.631 54 HB3 ASP -6 HB1 ASP -6 -1.203 -8.040 -6.657 55 H ASP -5 HN ASP -5 0.065 -6.726 -4.261 56 HA ASP -5 HA ASP -5 2.549 -5.628 -5.495 57 HB2 ASP -5 HB2 ASP -5 1.861 -6.184 -2.570 58 HB3 ASP -5 HB1 ASP -5 3.491 -5.803 -3.121 59 H ASP -4 HN ASP -4 0.879 -8.503 -4.939 60 HA ASP -4 HA ASP -4 3.156 -10.255 -4.445 61 HB2 ASP -4 HB2 ASP -4 0.596 -10.461 -3.639 62 HB3 ASP -4 HB1 ASP -4 0.370 -11.221 -5.207 63 H ASP -3 HN ASP -3 2.140 -12.414 -6.270 64 HA ASP -3 HA ASP -3 3.427 -11.772 -8.707 65 HB2 ASP -3 HB2 ASP -3 1.517 -14.050 -8.017 66 HB3 ASP -3 HB1 ASP -3 2.402 -13.938 -9.535 67 H LYS -2 HN LYS -2 2.679 -11.045 -10.575 68 HA LYS -2 HA LYS -2 -0.113 -10.548 -11.203 69 HB2 LYS -2 HB2 LYS -2 0.404 -8.021 -11.500 70 HB3 LYS -2 HB1 LYS -2 0.056 -8.616 -9.884 71 HG2 LYS -2 HG2 LYS -2 2.538 -8.651 -9.438 72 HG3 LYS -2 HG1 LYS -2 2.784 -7.860 -11.001 73 HD2 LYS -2 HD2 LYS -2 1.660 -5.878 -10.291 74 HD3 LYS -2 HD1 LYS -2 0.951 -6.675 -8.885 75 HE2 LYS -2 HE2 LYS -2 2.705 -5.217 -8.118 76 HE3 LYS -2 HE1 LYS -2 3.256 -6.877 -7.912 77 HZ1 LYS -2 HZ1 LYS -2 4.972 -5.447 -8.815 78 HZ2 LYS -2 HZ2 LYS -2 4.001 -5.086 -10.153 79 HZ3 LYS -2 HZ3 LYS -2 4.565 -6.662 -9.912 80 H GLY -1 HN GLY -1 3.272 -9.606 -12.047 81 HA2 GLY -1 HA2 GLY -1 4.332 -10.130 -14.095 82 HA3 GLY -1 HA1 GLY -1 2.770 -10.473 -14.823 83 H THR 0 HN THR 0 4.303 -7.763 -13.141 84 HA THR 0 HA THR 0 3.638 -5.924 -15.378 85 HB THR 0 HB THR 0 3.667 -4.096 -13.655 86 HG1 THR 0 HG1 THR 0 4.933 -5.426 -12.125 87 HG21 THR 0 HG21 THR 0 1.478 -5.035 -14.314 88 HG22 THR 0 HG22 THR 0 1.473 -4.583 -12.607 89 HG23 THR 0 HG23 THR 0 1.629 -6.280 -13.063 90 H MET 1 HN MET 1 5.282 -4.566 -16.055 91 HA MET 1 HA MET 1 7.981 -4.942 -14.929 92 HB2 MET 1 HB2 MET 1 8.826 -4.404 -17.204 93 HB3 MET 1 HB1 MET 1 7.879 -5.878 -17.133 94 HG2 MET 1 HG2 MET 1 5.957 -4.668 -18.084 95 HG3 MET 1 HG1 MET 1 6.959 -3.211 -18.207 96 HE1 MET 1 HE1 MET 1 6.154 -3.295 -20.795 97 HE2 MET 1 HE2 MET 1 5.404 -4.886 -20.637 98 HE3 MET 1 HE3 MET 1 6.597 -4.594 -21.902 99 H GLU 2 HN GLU 2 9.097 -3.230 -14.299 100 HA GLU 2 HA GLU 2 7.806 -0.610 -14.211 101 HB2 GLU 2 HB2 GLU 2 8.707 -1.678 -12.145 102 HB3 GLU 2 HB1 GLU 2 10.321 -1.635 -12.833 103 HG2 GLU 2 HG2 GLU 2 10.394 0.758 -12.741 104 HG3 GLU 2 HG1 GLU 2 8.678 0.859 -12.349 105 H LEU 3 HN LEU 3 8.630 1.224 -15.192 106 HA LEU 3 HA LEU 3 10.900 0.893 -17.078 107 HB2 LEU 3 HB2 LEU 3 8.177 2.080 -17.770 108 HB3 LEU 3 HB1 LEU 3 9.533 1.847 -18.868 109 HG LEU 3 HG LEU 3 8.042 -0.453 -17.543 110 HD11 LEU 3 HD11 LEU 3 7.637 0.685 -20.320 111 HD12 LEU 3 HD12 LEU 3 6.501 0.786 -18.970 112 HD13 LEU 3 HD13 LEU 3 6.890 -0.780 -19.673 113 HD21 LEU 3 HD21 LEU 3 9.985 -0.429 -19.876 114 HD22 LEU 3 HD22 LEU 3 9.125 -1.843 -19.253 115 HD23 LEU 3 HD23 LEU 3 10.317 -1.024 -18.245 116 H GLU 4 HN GLU 4 12.172 2.724 -17.206 117 HA GLU 4 HA GLU 4 11.412 5.216 -15.917 118 HB2 GLU 4 HB2 GLU 4 13.753 4.366 -15.699 119 HB3 GLU 4 HB1 GLU 4 13.954 4.481 -17.442 120 HG2 GLU 4 HG2 GLU 4 13.623 6.937 -17.298 121 HG3 GLU 4 HG1 GLU 4 13.450 6.801 -15.551 122 H LEU 5 HN LEU 5 9.912 6.300 -17.126 123 HA LEU 5 HA LEU 5 10.171 6.440 -20.037 124 HB2 LEU 5 HB2 LEU 5 7.968 7.575 -18.302 125 HB3 LEU 5 HB1 LEU 5 7.948 7.364 -20.050 126 HG LEU 5 HG LEU 5 7.877 5.180 -17.931 127 HD11 LEU 5 HD11 LEU 5 5.856 5.991 -20.026 128 HD12 LEU 5 HD12 LEU 5 5.761 6.322 -18.292 129 HD13 LEU 5 HD13 LEU 5 5.693 4.661 -18.875 130 HD21 LEU 5 HD21 LEU 5 9.282 4.378 -19.767 131 HD22 LEU 5 HD22 LEU 5 8.045 4.820 -20.947 132 HD23 LEU 5 HD23 LEU 5 7.730 3.541 -19.772 133 H ARG 6 HN ARG 6 11.544 7.874 -20.683 134 HA ARG 6 HA ARG 6 12.083 10.311 -19.165 135 HB2 ARG 6 HB2 ARG 6 13.763 9.527 -21.546 136 HB3 ARG 6 HB1 ARG 6 14.243 10.266 -20.018 137 HG2 ARG 6 HG2 ARG 6 13.730 7.935 -18.974 138 HG3 ARG 6 HG1 ARG 6 13.721 7.344 -20.637 139 HD2 ARG 6 HD2 ARG 6 15.921 6.939 -19.877 140 HD3 ARG 6 HD1 ARG 6 16.069 8.417 -20.835 141 HE ARG 6 HE ARG 6 15.648 8.704 -17.955 142 HH11 ARG 6 HH11 ARG 6 17.961 8.872 -20.596 143 HH12 ARG 6 HH12 ARG 6 19.164 9.655 -19.631 144 HH21 ARG 6 HH21 ARG 6 17.227 9.661 -16.707 145 HH22 ARG 6 HH22 ARG 6 18.752 10.096 -17.416 146 H PHE 7 HN PHE 7 11.132 12.128 -19.819 147 HA PHE 7 HA PHE 7 10.100 12.413 -22.587 148 HB2 PHE 7 HB2 PHE 7 9.214 13.773 -19.992 149 HB3 PHE 7 HB1 PHE 7 8.546 14.114 -21.590 150 HD1 PHE 7 HD2 PHE 7 8.771 11.600 -18.900 151 HD2 PHE 7 HD1 PHE 7 7.025 12.558 -22.678 152 HE1 PHE 7 HE2 PHE 7 7.211 9.727 -18.672 153 HE2 PHE 7 HE1 PHE 7 5.458 10.683 -22.423 154 HZ PHE 7 HZ PHE 7 5.563 9.261 -20.423 155 H PHE 8 HN PHE 8 10.693 14.126 -23.805 156 HA PHE 8 HA PHE 8 12.461 16.198 -22.649 157 HB2 PHE 8 HB2 PHE 8 12.997 14.721 -25.277 158 HB3 PHE 8 HB1 PHE 8 13.997 15.994 -24.573 159 HD1 PHE 8 HD1 PHE 8 14.996 15.531 -22.193 160 HD2 PHE 8 HD2 PHE 8 13.473 12.452 -24.735 161 HE1 PHE 8 HE1 PHE 8 16.192 13.837 -20.867 162 HE2 PHE 8 HE2 PHE 8 14.676 10.777 -23.418 163 HZ PHE 8 HZ PHE 8 16.027 11.453 -21.463 164 H ALA 9 HN ALA 9 12.533 18.158 -23.866 165 HA ALA 9 HA ALA 9 11.622 19.964 -24.822 166 HB1 ALA 9 HB1 ALA 9 10.785 19.724 -27.123 167 HB2 ALA 9 HB2 ALA 9 10.729 17.979 -26.893 168 HB3 ALA 9 HB3 ALA 9 12.278 18.821 -26.847 169 H THR 10 HN THR 10 8.883 19.308 -26.549 170 HA THR 10 HA THR 10 7.046 20.557 -24.893 171 HB THR 10 HB THR 10 6.505 18.579 -27.150 172 HG1 THR 10 HG1 THR 10 6.797 21.411 -27.112 173 HG21 THR 10 HG21 THR 10 4.448 18.904 -25.819 174 HG22 THR 10 HG22 THR 10 4.301 19.670 -27.401 175 HG23 THR 10 HG23 THR 10 4.616 20.655 -25.971 176 H PHE 11 HN PHE 11 7.486 17.033 -25.425 177 HA PHE 11 HA PHE 11 5.275 16.198 -23.840 178 HB2 PHE 11 HB2 PHE 11 7.760 14.687 -24.730 179 HB3 PHE 11 HB1 PHE 11 6.422 13.922 -23.893 180 HD1 PHE 11 HD1 PHE 11 4.815 16.241 -25.960 181 HD2 PHE 11 HD2 PHE 11 7.032 12.585 -26.227 182 HE1 PHE 11 HE1 PHE 11 3.740 15.722 -28.118 183 HE2 PHE 11 HE2 PHE 11 5.940 12.095 -28.385 184 HZ PHE 11 HZ PHE 11 4.291 13.649 -29.309 185 H ARG 12 HN ARG 12 8.503 17.182 -23.015 186 HA ARG 12 HA ARG 12 8.746 15.955 -20.468 187 HB2 ARG 12 HB2 ARG 12 10.642 16.881 -21.804 188 HB3 ARG 12 HB1 ARG 12 10.101 18.488 -21.418 189 HG2 ARG 12 HG2 ARG 12 10.598 16.755 -19.056 190 HG3 ARG 12 HG1 ARG 12 12.020 17.060 -20.041 191 HD2 ARG 12 HD2 ARG 12 12.111 18.747 -18.429 192 HD3 ARG 12 HD1 ARG 12 11.395 19.566 -19.810 193 HE ARG 12 HE ARG 12 9.413 18.529 -18.023 194 HH11 ARG 12 HH11 ARG 12 11.576 21.262 -18.510 195 HH12 ARG 12 HH12 ARG 12 10.663 22.319 -17.486 196 HH21 ARG 12 HH21 ARG 12 8.232 19.950 -16.696 197 HH22 ARG 12 HH22 ARG 12 8.768 21.575 -16.470 198 H GLU 13 HN GLU 13 7.657 19.201 -21.505 199 HA GLU 13 HA GLU 13 7.243 20.099 -18.796 200 HB2 GLU 13 HB2 GLU 13 6.387 22.186 -19.778 201 HB3 GLU 13 HB1 GLU 13 7.937 21.718 -20.451 202 HG2 GLU 13 HG2 GLU 13 6.777 22.528 -22.300 203 HG3 GLU 13 HG1 GLU 13 6.597 20.784 -22.447 204 H VAL 14 HN VAL 14 5.266 18.534 -21.174 205 HA VAL 14 HA VAL 14 2.700 18.860 -20.066 206 HB VAL 14 HB VAL 14 3.931 16.423 -21.432 207 HG11 VAL 14 HG11 VAL 14 1.032 16.978 -20.732 208 HG12 VAL 14 HG12 VAL 14 2.042 15.652 -20.148 209 HG13 VAL 14 HG13 VAL 14 1.564 15.716 -21.842 210 HG21 VAL 14 HG21 VAL 14 2.148 18.615 -22.568 211 HG22 VAL 14 HG22 VAL 14 2.730 17.199 -23.451 212 HG23 VAL 14 HG23 VAL 14 3.875 18.414 -22.882 213 H VAL 15 HN VAL 15 5.075 16.306 -19.488 214 HA VAL 15 HA VAL 15 3.710 15.139 -17.253 215 HB VAL 15 HB VAL 15 6.531 14.712 -18.353 216 HG11 VAL 15 HG11 VAL 15 6.519 12.540 -17.157 217 HG12 VAL 15 HG12 VAL 15 4.976 12.962 -16.408 218 HG13 VAL 15 HG13 VAL 15 6.423 13.900 -16.033 219 HG21 VAL 15 HG21 VAL 15 3.964 13.140 -18.838 220 HG22 VAL 15 HG22 VAL 15 5.559 12.721 -19.468 221 HG23 VAL 15 HG23 VAL 15 4.765 14.204 -20.001 222 H GLY 16 HN GLY 16 5.874 17.739 -17.696 223 HA2 GLY 16 HA2 GLY 16 6.876 19.251 -16.312 224 HA3 GLY 16 HA1 GLY 16 6.006 18.535 -14.965 225 H GLN 17 HN GLN 17 7.867 16.313 -16.791 226 HA GLN 17 HA GLN 17 10.165 16.360 -14.956 227 HB2 GLN 17 HB2 GLN 17 8.713 13.718 -15.377 228 HB3 GLN 17 HB1 GLN 17 9.881 14.159 -14.134 229 HG2 GLN 17 HG2 GLN 17 7.993 15.736 -13.250 230 HG3 GLN 17 HG1 GLN 17 6.933 14.807 -14.291 231 HE21 GLN 17 HE21 GLN 17 5.742 14.012 -12.561 232 HE22 GLN 17 HE22 GLN 17 6.361 12.832 -11.464 233 H LYS 18 HN LYS 18 12.022 15.376 -15.850 234 HA LYS 18 HA LYS 18 11.964 14.913 -18.739 235 HB2 LYS 18 HB2 LYS 18 14.427 14.827 -18.639 236 HB3 LYS 18 HB1 LYS 18 13.785 16.307 -17.950 237 HG2 LYS 18 HG2 LYS 18 14.391 14.044 -16.065 238 HG3 LYS 18 HG1 LYS 18 15.753 14.907 -16.778 239 HD2 LYS 18 HD2 LYS 18 13.491 16.197 -15.196 240 HD3 LYS 18 HD1 LYS 18 15.101 15.815 -14.562 241 HE2 LYS 18 HE2 LYS 18 14.449 17.786 -16.785 242 HE3 LYS 18 HE1 LYS 18 14.954 18.178 -15.144 243 HZ1 LYS 18 HZ1 LYS 18 16.793 18.364 -16.695 244 HZ2 LYS 18 HZ2 LYS 18 16.610 16.750 -17.160 245 HZ3 LYS 18 HZ3 LYS 18 17.090 17.124 -15.582 246 H SER 19 HN SER 19 12.068 13.025 -15.843 247 HA SER 19 HA SER 19 11.704 10.610 -17.416 248 HB2 SER 19 HB2 SER 19 13.875 10.582 -15.258 249 HB3 SER 19 HB1 SER 19 13.429 9.268 -16.339 250 HG SER 19 HG SER 19 14.089 10.922 -18.045 251 H ILE 20 HN ILE 20 10.341 9.219 -16.360 252 HA ILE 20 HA ILE 20 9.741 9.588 -13.477 253 HB ILE 20 HB ILE 20 7.354 9.091 -13.888 254 HG12 ILE 20 HG12 ILE 20 8.122 9.041 -16.845 255 HG13 ILE 20 HG11 ILE 20 7.472 7.701 -15.902 256 HG21 ILE 20 HG21 ILE 20 8.070 11.447 -13.897 257 HG22 ILE 20 HG22 ILE 20 6.671 11.195 -14.941 258 HG23 ILE 20 HG23 ILE 20 8.281 11.377 -15.648 259 HD11 ILE 20 HD11 ILE 20 6.006 10.209 -16.726 260 HD12 ILE 20 HD12 ILE 20 5.339 8.965 -15.665 261 HD13 ILE 20 HD13 ILE 20 5.758 8.572 -17.332 262 H TYR 21 HN TYR 21 8.888 7.597 -12.493 263 HA TYR 21 HA TYR 21 9.637 5.129 -13.942 264 HB2 TYR 21 HB2 TYR 21 10.085 5.981 -11.148 265 HB3 TYR 21 HB1 TYR 21 9.271 4.428 -11.222 266 HD1 TYR 21 HD1 TYR 21 11.909 5.759 -13.593 267 HD2 TYR 21 HD2 TYR 21 10.950 2.912 -10.537 268 HE1 TYR 21 HE1 TYR 21 14.070 4.659 -13.917 269 HE2 TYR 21 HE2 TYR 21 13.111 1.811 -10.891 270 HH TYR 21 HH TYR 21 14.804 1.592 -12.697 271 H TRP 22 HN TRP 22 7.972 4.313 -14.847 272 HA TRP 22 HA TRP 22 5.286 4.238 -13.641 273 HB2 TRP 22 HB2 TRP 22 6.379 4.319 -16.413 274 HB3 TRP 22 HB1 TRP 22 5.112 3.119 -16.220 275 HD1 TRP 22 HD1 TRP 22 5.154 6.710 -14.696 276 HE1 TRP 22 HE1 TRP 22 3.113 7.958 -15.647 277 HE3 TRP 22 HE3 TRP 22 3.398 3.100 -17.811 278 HZ2 TRP 22 HZ2 TRP 22 1.033 7.474 -17.526 279 HZ3 TRP 22 HZ3 TRP 22 1.386 3.543 -19.140 280 HH2 TRP 22 HH2 TRP 22 0.230 5.678 -18.996 281 H ARG 23 HN ARG 23 4.123 2.127 -14.286 282 HA ARG 23 HA ARG 23 5.729 -0.232 -14.711 283 HB2 ARG 23 HB2 ARG 23 5.908 0.072 -12.242 284 HB3 ARG 23 HB1 ARG 23 4.155 0.017 -12.105 285 HG2 ARG 23 HG2 ARG 23 4.051 -2.278 -12.571 286 HG3 ARG 23 HG1 ARG 23 5.628 -2.300 -13.360 287 HD2 ARG 23 HD2 ARG 23 5.659 -3.419 -11.147 288 HD3 ARG 23 HD1 ARG 23 6.758 -2.037 -11.213 289 HE ARG 23 HE ARG 23 4.071 -1.672 -10.074 290 HH11 ARG 23 HH11 ARG 23 7.546 -1.792 -9.520 291 HH12 ARG 23 HH12 ARG 23 7.424 -1.199 -7.895 292 HH21 ARG 23 HH21 ARG 23 3.932 -0.904 -7.968 293 HH22 ARG 23 HH22 ARG 23 5.366 -0.688 -7.021 294 H VAL 24 HN VAL 24 4.659 -1.034 -16.339 295 HA VAL 24 HA VAL 24 1.688 -1.188 -16.324 296 HB VAL 24 HB VAL 24 1.790 -1.384 -18.796 297 HG11 VAL 24 HG11 VAL 24 3.245 1.101 -17.822 298 HG12 VAL 24 HG12 VAL 24 1.496 0.869 -17.869 299 HG13 VAL 24 HG13 VAL 24 2.415 0.934 -19.374 300 HG21 VAL 24 HG21 VAL 24 4.006 -2.432 -19.057 301 HG22 VAL 24 HG22 VAL 24 4.796 -0.940 -18.545 302 HG23 VAL 24 HG23 VAL 24 3.894 -0.984 -20.063 303 H ASP 25 HN ASP 25 1.077 -3.143 -17.853 304 HA ASP 25 HA ASP 25 1.784 -5.582 -16.719 305 HB2 ASP 25 HB2 ASP 25 -0.297 -5.449 -17.811 306 HB3 ASP 25 HB1 ASP 25 0.400 -4.725 -19.254 307 H ASP 26 HN ASP 26 2.968 -7.399 -17.548 308 HA ASP 26 HA ASP 26 5.586 -6.768 -18.549 309 HB2 ASP 26 HB2 ASP 26 5.336 -8.459 -16.844 310 HB3 ASP 26 HB1 ASP 26 4.204 -9.373 -17.818 311 H ASP 27 HN ASP 27 2.689 -8.210 -19.904 312 HA ASP 27 HA ASP 27 3.928 -9.146 -22.360 313 HB2 ASP 27 HB2 ASP 27 2.107 -10.441 -21.394 314 HB3 ASP 27 HB1 ASP 27 1.046 -9.037 -21.355 315 H ALA 28 HN ALA 28 2.626 -6.194 -21.207 316 HA ALA 28 HA ALA 28 1.829 -4.882 -23.578 317 HB1 ALA 28 HB1 ALA 28 3.119 -3.663 -21.106 318 HB2 ALA 28 HB2 ALA 28 1.397 -3.990 -21.308 319 HB3 ALA 28 HB3 ALA 28 2.191 -2.795 -22.336 320 H THR 29 HN THR 29 3.083 -3.013 -24.560 321 HA THR 29 HA THR 29 6.004 -3.463 -24.797 322 HB THR 29 HB THR 29 5.839 -3.201 -27.292 323 HG1 THR 29 HG1 THR 29 3.045 -3.582 -26.940 324 HG21 THR 29 HG21 THR 29 4.155 -5.511 -26.255 325 HG22 THR 29 HG22 THR 29 5.917 -5.503 -26.382 326 HG23 THR 29 HG23 THR 29 4.925 -5.424 -27.841 327 H VAL 30 HN VAL 30 6.822 -1.501 -26.440 328 HA VAL 30 HA VAL 30 6.737 0.913 -25.040 329 HB VAL 30 HB VAL 30 7.306 0.541 -28.015 330 HG11 VAL 30 HG11 VAL 30 7.957 2.972 -26.291 331 HG12 VAL 30 HG12 VAL 30 6.779 2.914 -27.603 332 HG13 VAL 30 HG13 VAL 30 8.497 2.730 -27.956 333 HG21 VAL 30 HG21 VAL 30 9.259 0.740 -25.700 334 HG22 VAL 30 HG22 VAL 30 9.697 0.643 -27.409 335 HG23 VAL 30 HG23 VAL 30 8.882 -0.711 -26.631 336 H GLY 31 HN GLY 31 4.693 -0.221 -27.624 337 HA2 GLY 31 HA2 GLY 31 3.334 2.192 -28.245 338 HA3 GLY 31 HA1 GLY 31 2.860 0.564 -28.705 339 H ASP 32 HN ASP 32 2.566 -0.573 -26.133 340 HA ASP 32 HA ASP 32 -0.032 0.310 -25.343 341 HB2 ASP 32 HB2 ASP 32 1.901 -1.599 -23.957 342 HB3 ASP 32 HB1 ASP 32 0.231 -1.334 -23.448 343 H VAL 33 HN VAL 33 3.209 0.963 -24.229 344 HA VAL 33 HA VAL 33 2.627 2.256 -21.765 345 HB VAL 33 HB VAL 33 4.996 2.480 -23.668 346 HG11 VAL 33 HG11 VAL 33 4.916 4.542 -22.347 347 HG12 VAL 33 HG12 VAL 33 6.259 3.531 -21.816 348 HG13 VAL 33 HG13 VAL 33 4.780 3.609 -20.854 349 HG21 VAL 33 HG21 VAL 33 4.698 0.260 -22.650 350 HG22 VAL 33 HG22 VAL 33 4.664 0.987 -21.041 351 HG23 VAL 33 HG23 VAL 33 6.143 1.048 -22.008 352 H LEU 34 HN LEU 34 3.457 3.747 -24.967 353 HA LEU 34 HA LEU 34 2.689 6.347 -24.109 354 HB2 LEU 34 HB2 LEU 34 2.758 6.948 -26.612 355 HB3 LEU 34 HB1 LEU 34 4.232 6.436 -25.825 356 HG LEU 34 HG LEU 34 3.667 4.077 -26.873 357 HD11 LEU 34 HD11 LEU 34 1.444 4.607 -27.701 358 HD12 LEU 34 HD12 LEU 34 2.529 4.173 -29.020 359 HD13 LEU 34 HD13 LEU 34 2.114 5.866 -28.743 360 HD21 LEU 34 HD21 LEU 34 4.969 4.642 -28.887 361 HD22 LEU 34 HD22 LEU 34 5.655 5.394 -27.448 362 HD23 LEU 34 HD23 LEU 34 4.709 6.364 -28.580 363 H ARG 35 HN ARG 35 0.853 3.759 -25.630 364 HA ARG 35 HA ARG 35 -1.561 5.014 -26.163 365 HB2 ARG 35 HB2 ARG 35 -1.323 2.715 -26.744 366 HB3 ARG 35 HB1 ARG 35 -0.901 2.244 -25.112 367 HG2 ARG 35 HG2 ARG 35 -3.180 1.499 -25.946 368 HG3 ARG 35 HG1 ARG 35 -3.164 2.316 -24.378 369 HD2 ARG 35 HD2 ARG 35 -3.874 4.392 -25.403 370 HD3 ARG 35 HD1 ARG 35 -3.854 3.653 -27.023 371 HE ARG 35 HE ARG 35 -5.596 2.084 -25.746 372 HH11 ARG 35 HH11 ARG 35 -5.382 5.599 -25.775 373 HH12 ARG 35 HH12 ARG 35 -7.087 5.812 -25.553 374 HH21 ARG 35 HH21 ARG 35 -7.825 2.384 -25.455 375 HH22 ARG 35 HH22 ARG 35 -8.475 3.987 -25.373 376 H SER 36 HN SER 36 -0.387 3.813 -23.048 377 HA SER 36 HA SER 36 -2.697 4.645 -21.568 378 HB2 SER 36 HB2 SER 36 0.032 3.766 -20.609 379 HB3 SER 36 HB1 SER 36 -1.422 3.894 -19.632 380 HG SER 36 HG SER 36 -0.635 1.914 -21.323 381 H LEU 37 HN LEU 37 0.436 6.106 -22.325 382 HA LEU 37 HA LEU 37 0.535 8.110 -20.354 383 HB2 LEU 37 HB2 LEU 37 1.880 7.709 -22.989 384 HB3 LEU 37 HB1 LEU 37 1.863 9.355 -22.412 385 HG LEU 37 HG LEU 37 3.947 8.360 -21.772 386 HD11 LEU 37 HD11 LEU 37 3.946 8.667 -19.345 387 HD12 LEU 37 HD12 LEU 37 2.184 8.567 -19.312 388 HD13 LEU 37 HD13 LEU 37 2.979 9.908 -20.140 389 HD21 LEU 37 HD21 LEU 37 3.439 6.044 -21.879 390 HD22 LEU 37 HD22 LEU 37 2.357 6.152 -20.495 391 HD23 LEU 37 HD23 LEU 37 4.086 6.402 -20.285 392 H GLU 38 HN GLU 38 -1.245 8.111 -23.447 393 HA GLU 38 HA GLU 38 -2.030 10.897 -23.176 394 HB2 GLU 38 HB2 GLU 38 -3.697 10.370 -25.011 395 HB3 GLU 38 HB1 GLU 38 -2.014 10.084 -25.412 396 HG2 GLU 38 HG2 GLU 38 -2.270 7.721 -25.242 397 HG3 GLU 38 HG1 GLU 38 -3.875 7.868 -24.527 398 H ALA 39 HN ALA 39 -3.292 7.824 -22.091 399 HA ALA 39 HA ALA 39 -5.933 8.668 -21.402 400 HB1 ALA 39 HB1 ALA 39 -6.034 6.571 -20.101 401 HB2 ALA 39 HB2 ALA 39 -4.288 6.365 -20.284 402 HB3 ALA 39 HB3 ALA 39 -5.339 6.298 -21.700 403 H GLU 40 HN GLU 40 -2.836 8.730 -19.738 404 HA GLU 40 HA GLU 40 -3.904 9.674 -17.191 405 HB2 GLU 40 HB2 GLU 40 -1.021 9.507 -18.172 406 HB3 GLU 40 HB1 GLU 40 -1.536 9.794 -16.508 407 HG2 GLU 40 HG2 GLU 40 -2.040 7.264 -18.098 408 HG3 GLU 40 HG1 GLU 40 -0.748 7.529 -16.935 409 H TYR 41 HN TYR 41 -1.703 10.915 -19.680 410 HA TYR 41 HA TYR 41 -1.821 13.584 -18.543 411 HB2 TYR 41 HB2 TYR 41 0.090 12.311 -20.525 412 HB3 TYR 41 HB1 TYR 41 0.150 14.021 -20.100 413 HD1 TYR 41 HD2 TYR 41 0.731 10.580 -18.850 414 HD2 TYR 41 HD1 TYR 41 0.999 14.743 -17.909 415 HE1 TYR 41 HE2 TYR 41 2.148 10.054 -16.907 416 HE2 TYR 41 HE1 TYR 41 2.428 14.219 -15.968 417 HH TYR 41 HH TYR 41 2.822 12.281 -14.460 418 H ASP 42 HN ASP 42 -3.203 14.970 -19.353 419 HA ASP 42 HA ASP 42 -4.692 14.658 -21.748 420 HB2 ASP 42 HB2 ASP 42 -4.337 17.119 -19.980 421 HB3 ASP 42 HB1 ASP 42 -5.568 16.937 -21.229 422 H GLY 43 HN GLY 43 -1.784 16.423 -20.932 423 HA2 GLY 43 HA2 GLY 43 -1.595 17.976 -23.349 424 HA3 GLY 43 HA1 GLY 43 -0.351 17.760 -22.130 425 H LEU 44 HN LEU 44 -1.058 14.660 -22.765 426 HA LEU 44 HA LEU 44 0.856 14.425 -25.022 427 HB2 LEU 44 HB2 LEU 44 0.078 12.467 -22.839 428 HB3 LEU 44 HB1 LEU 44 1.038 12.008 -24.223 429 HG LEU 44 HG LEU 44 1.837 13.956 -22.050 430 HD11 LEU 44 HD11 LEU 44 1.979 11.637 -21.335 431 HD12 LEU 44 HD12 LEU 44 3.587 12.335 -21.507 432 HD13 LEU 44 HD13 LEU 44 2.967 11.234 -22.745 433 HD21 LEU 44 HD21 LEU 44 4.025 14.112 -23.184 434 HD22 LEU 44 HD22 LEU 44 2.717 14.766 -24.165 435 HD23 LEU 44 HD23 LEU 44 3.383 13.173 -24.537 436 H ALA 45 HN ALA 45 -2.365 14.590 -24.725 437 HA ALA 45 HA ALA 45 -3.346 12.108 -25.715 438 HB1 ALA 45 HB1 ALA 45 -4.716 13.685 -24.426 439 HB2 ALA 45 HB2 ALA 45 -5.476 13.306 -25.975 440 HB3 ALA 45 HB3 ALA 45 -4.645 14.851 -25.751 441 H GLY 46 HN GLY 46 -3.098 11.282 -27.719 442 HA2 GLY 46 HA2 GLY 46 -3.385 11.026 -29.982 443 HA3 GLY 46 HA1 GLY 46 -4.056 12.641 -30.046 444 H ARG 47 HN ARG 47 -0.957 12.736 -28.718 445 HA ARG 47 HA ARG 47 0.290 13.485 -31.318 446 HB2 ARG 47 HB2 ARG 47 1.815 14.942 -29.764 447 HB3 ARG 47 HB1 ARG 47 0.193 15.517 -30.135 448 HG2 ARG 47 HG2 ARG 47 -0.620 14.686 -27.981 449 HG3 ARG 47 HG1 ARG 47 0.981 14.053 -27.598 450 HD2 ARG 47 HD2 ARG 47 0.393 16.227 -26.492 451 HD3 ARG 47 HD1 ARG 47 1.886 16.250 -27.400 452 HE ARG 47 HE ARG 47 0.115 17.218 -29.197 453 HH11 ARG 47 HH11 ARG 47 0.712 18.132 -25.859 454 HH12 ARG 47 HH12 ARG 47 0.261 19.787 -26.104 455 HH21 ARG 47 HH21 ARG 47 -0.452 19.390 -29.517 456 HH22 ARG 47 HH22 ARG 47 -0.397 20.499 -28.181 457 H LEU 48 HN LEU 48 0.242 11.021 -29.328 458 HA LEU 48 HA LEU 48 3.099 10.315 -29.621 459 HB2 LEU 48 HB2 LEU 48 3.150 9.307 -27.470 460 HB3 LEU 48 HB1 LEU 48 2.455 10.897 -27.253 461 HG LEU 48 HG LEU 48 1.175 8.179 -26.911 462 HD11 LEU 48 HD11 LEU 48 1.220 10.655 -25.193 463 HD12 LEU 48 HD12 LEU 48 2.202 9.208 -24.980 464 HD13 LEU 48 HD13 LEU 48 0.457 9.122 -24.769 465 HD21 LEU 48 HD21 LEU 48 -0.432 9.312 -28.352 466 HD22 LEU 48 HD22 LEU 48 -0.460 10.704 -27.274 467 HD23 LEU 48 HD23 LEU 48 -1.055 9.138 -26.718 468 H ILE 49 HN ILE 49 -0.117 9.588 -30.288 469 HA ILE 49 HA ILE 49 0.633 7.032 -31.562 470 HB ILE 49 HB ILE 49 -2.038 7.699 -30.242 471 HG12 ILE 49 HG12 ILE 49 -0.022 5.481 -29.752 472 HG13 ILE 49 HG11 ILE 49 -0.438 6.792 -28.651 473 HG21 ILE 49 HG21 ILE 49 -1.430 5.309 -32.039 474 HG22 ILE 49 HG22 ILE 49 -2.508 6.649 -32.436 475 HG23 ILE 49 HG23 ILE 49 -2.924 5.548 -31.125 476 HD11 ILE 49 HD11 ILE 49 -2.670 5.829 -28.363 477 HD12 ILE 49 HD12 ILE 49 -1.400 4.676 -27.965 478 HD13 ILE 49 HD13 ILE 49 -2.260 4.531 -29.491 479 H GLU 50 HN GLU 50 0.324 7.098 -33.758 480 HA GLU 50 HA GLU 50 -2.009 8.616 -34.777 481 HB2 GLU 50 HB2 GLU 50 0.784 8.567 -35.868 482 HB3 GLU 50 HB1 GLU 50 -0.499 8.417 -37.063 483 HG2 GLU 50 HG2 GLU 50 -0.174 10.644 -35.058 484 HG3 GLU 50 HG1 GLU 50 0.200 10.729 -36.774 485 H ASP 51 HN ASP 51 -3.456 7.089 -34.977 486 HA ASP 51 HA ASP 51 -4.626 5.357 -35.735 487 HB2 ASP 51 HB2 ASP 51 -3.984 6.630 -37.854 488 HB3 ASP 51 HB1 ASP 51 -2.770 5.389 -38.139 489 H GLY 52 HN GLY 52 -2.680 4.516 -33.915 490 HA2 GLY 52 HA2 GLY 52 -2.433 2.351 -33.029 491 HA3 GLY 52 HA1 GLY 52 -2.566 1.680 -34.639 492 H GLU 53 HN GLU 53 -0.377 3.964 -35.237 493 HA GLU 53 HA GLU 53 1.970 2.483 -34.159 494 HB2 GLU 53 HB2 GLU 53 3.307 3.486 -35.982 495 HB3 GLU 53 HB1 GLU 53 1.967 2.532 -36.620 496 HG2 GLU 53 HG2 GLU 53 0.704 4.526 -37.103 497 HG3 GLU 53 HG1 GLU 53 1.904 5.547 -36.330 498 H VAL 54 HN VAL 54 3.946 4.421 -34.277 499 HA VAL 54 HA VAL 54 3.298 5.809 -31.858 500 HB VAL 54 HB VAL 54 5.638 6.752 -31.983 501 HG11 VAL 54 HG11 VAL 54 6.771 4.574 -31.625 502 HG12 VAL 54 HG12 VAL 54 5.403 3.737 -32.363 503 HG13 VAL 54 HG13 VAL 54 5.188 4.613 -30.845 504 HG21 VAL 54 HG21 VAL 54 5.942 6.897 -34.432 505 HG22 VAL 54 HG22 VAL 54 5.855 5.137 -34.565 506 HG23 VAL 54 HG23 VAL 54 7.208 5.892 -33.715 507 H LYS 55 HN LYS 55 4.176 7.200 -35.133 508 HA LYS 55 HA LYS 55 2.492 9.190 -35.587 509 HB2 LYS 55 HB2 LYS 55 2.538 10.221 -33.441 510 HB3 LYS 55 HB1 LYS 55 4.282 10.170 -33.325 511 HG2 LYS 55 HG2 LYS 55 3.930 12.432 -33.661 512 HG3 LYS 55 HG1 LYS 55 4.154 11.909 -35.326 513 HD2 LYS 55 HD2 LYS 55 2.250 13.418 -35.202 514 HD3 LYS 55 HD1 LYS 55 1.685 11.805 -35.611 515 HE2 LYS 55 HE2 LYS 55 1.049 11.448 -33.233 516 HE3 LYS 55 HE1 LYS 55 1.577 13.087 -32.856 517 HZ1 LYS 55 HZ1 LYS 55 -0.121 13.897 -34.415 518 HZ2 LYS 55 HZ2 LYS 55 -0.774 13.034 -33.122 519 HZ3 LYS 55 HZ3 LYS 55 -0.663 12.312 -34.644 520 HA PRO 56 HA PRO 56 5.800 10.023 -38.660 521 HB2 PRO 56 HB2 PRO 56 4.482 12.146 -39.885 522 HB3 PRO 56 HB1 PRO 56 4.157 10.447 -40.262 523 HG2 PRO 56 HG2 PRO 56 2.694 12.284 -38.353 524 HG3 PRO 56 HG1 PRO 56 2.013 11.200 -39.574 525 HD2 PRO 56 HD2 PRO 56 2.048 10.459 -37.041 526 HD3 PRO 56 HD1 PRO 56 2.446 9.273 -38.305 527 H HIS 57 HN HIS 57 7.581 11.185 -38.227 528 HA HIS 57 HA HIS 57 8.996 12.916 -37.961 529 HB2 HIS 57 HB2 HIS 57 6.517 14.676 -37.749 530 HB3 HIS 57 HB1 HIS 57 8.166 15.295 -37.757 531 HD1 HIS 57 HD1 HIS 57 8.289 16.461 -39.992 532 HD2 HIS 57 HD2 HIS 57 6.657 12.650 -40.304 533 HE1 HIS 57 HE1 HIS 57 7.981 16.063 -42.454 534 HE2 HIS 57 HE2 HIS 57 7.028 13.735 -42.623 535 H VAL 58 HN VAL 58 7.003 11.816 -35.529 536 HA VAL 58 HA VAL 58 8.192 13.227 -33.310 537 HB VAL 58 HB VAL 58 5.946 11.780 -33.367 538 HG11 VAL 58 HG11 VAL 58 7.896 9.625 -32.493 539 HG12 VAL 58 HG12 VAL 58 6.970 9.627 -33.996 540 HG13 VAL 58 HG13 VAL 58 6.133 9.519 -32.446 541 HG21 VAL 58 HG21 VAL 58 7.748 11.727 -30.924 542 HG22 VAL 58 HG22 VAL 58 5.993 11.506 -30.920 543 HG23 VAL 58 HG23 VAL 58 6.687 13.054 -31.403 544 H ASN 59 HN ASN 59 9.857 12.345 -31.881 545 HA ASN 59 HA ASN 59 11.417 10.077 -33.013 546 HB2 ASN 59 HB2 ASN 59 12.461 12.516 -31.501 547 HB3 ASN 59 HB1 ASN 59 13.442 11.126 -31.960 548 HD21 ASN 59 HD21 ASN 59 14.005 10.850 -34.143 549 HD22 ASN 59 HD22 ASN 59 13.846 12.114 -35.300 550 H VAL 60 HN VAL 60 10.723 8.410 -31.814 551 HA VAL 60 HA VAL 60 10.769 8.633 -28.864 552 HB VAL 60 HB VAL 60 9.205 6.609 -28.894 553 HG11 VAL 60 HG11 VAL 60 7.158 8.003 -29.132 554 HG12 VAL 60 HG12 VAL 60 8.094 9.251 -29.961 555 HG13 VAL 60 HG13 VAL 60 8.423 8.882 -28.264 556 HG21 VAL 60 HG21 VAL 60 8.723 7.472 -31.781 557 HG22 VAL 60 HG22 VAL 60 7.774 6.281 -30.887 558 HG23 VAL 60 HG23 VAL 60 9.464 5.955 -31.264 559 H LEU 61 HN LEU 61 11.478 6.766 -27.734 560 HA LEU 61 HA LEU 61 13.651 5.336 -29.094 561 HB2 LEU 61 HB2 LEU 61 13.931 7.178 -26.716 562 HB3 LEU 61 HB1 LEU 61 15.144 5.985 -27.117 563 HG LEU 61 HG LEU 61 15.433 7.234 -29.322 564 HD11 LEU 61 HD11 LEU 61 13.434 8.510 -29.487 565 HD12 LEU 61 HD12 LEU 61 14.793 9.614 -29.380 566 HD13 LEU 61 HD13 LEU 61 13.771 9.334 -27.967 567 HD21 LEU 61 HD21 LEU 61 16.901 8.947 -28.370 568 HD22 LEU 61 HD22 LEU 61 17.052 7.429 -27.488 569 HD23 LEU 61 HD23 LEU 61 16.116 8.757 -26.799 570 H LYS 62 HN LYS 62 14.820 3.953 -27.388 571 HA LYS 62 HA LYS 62 13.180 2.627 -25.391 572 HB2 LYS 62 HB2 LYS 62 12.151 1.527 -27.217 573 HB3 LYS 62 HB1 LYS 62 13.595 1.589 -28.204 574 HG2 LYS 62 HG2 LYS 62 13.204 -0.665 -27.718 575 HG3 LYS 62 HG1 LYS 62 14.591 -0.194 -26.745 576 HD2 LYS 62 HD2 LYS 62 13.036 0.046 -24.789 577 HD3 LYS 62 HD1 LYS 62 11.728 -0.574 -25.808 578 HE2 LYS 62 HE2 LYS 62 12.717 -2.354 -24.407 579 HE3 LYS 62 HE1 LYS 62 12.942 -2.688 -26.128 580 HZ1 LYS 62 HZ1 LYS 62 15.003 -1.439 -24.398 581 HZ2 LYS 62 HZ2 LYS 62 15.211 -2.032 -25.973 582 HZ3 LYS 62 HZ3 LYS 62 14.916 -3.099 -24.699 583 H ASN 63 HN ASN 63 14.756 2.464 -23.856 584 HA ASN 63 HA ASN 63 16.788 2.612 -22.844 585 HB2 ASN 63 HB2 ASN 63 16.600 0.122 -23.397 586 HB3 ASN 63 HB1 ASN 63 17.649 0.412 -24.774 587 HD21 ASN 63 HD21 ASN 63 19.381 -0.825 -24.069 588 HD22 ASN 63 HD22 ASN 63 20.300 -0.475 -22.653 589 H GLY 64 HN GLY 64 16.412 4.478 -24.905 590 HA2 GLY 64 HA2 GLY 64 17.695 6.217 -25.761 591 HA3 GLY 64 HA1 GLY 64 19.146 5.249 -25.568 592 H ARG 65 HN ARG 65 17.407 3.087 -27.158 593 HA ARG 65 HA ARG 65 18.433 3.805 -29.789 594 HB2 ARG 65 HB2 ARG 65 18.542 1.442 -28.871 595 HB3 ARG 65 HB1 ARG 65 16.791 1.342 -29.019 596 HG2 ARG 65 HG2 ARG 65 17.790 0.259 -30.943 597 HG3 ARG 65 HG1 ARG 65 17.019 1.748 -31.490 598 HD2 ARG 65 HD2 ARG 65 19.223 2.876 -31.485 599 HD3 ARG 65 HD1 ARG 65 19.986 1.378 -30.939 600 HE ARG 65 HE ARG 65 18.509 1.105 -33.413 601 HH11 ARG 65 HH11 ARG 65 21.638 1.990 -32.062 602 HH12 ARG 65 HH12 ARG 65 22.495 1.660 -33.527 603 HH21 ARG 65 HH21 ARG 65 19.664 0.638 -35.303 604 HH22 ARG 65 HH22 ARG 65 21.375 0.893 -35.369 605 H GLU 66 HN GLU 66 17.274 4.937 -31.221 606 HA GLU 66 HA GLU 66 14.615 5.773 -30.590 607 HB2 GLU 66 HB2 GLU 66 16.566 7.142 -31.627 608 HB3 GLU 66 HB1 GLU 66 16.084 6.428 -33.162 609 HG2 GLU 66 HG2 GLU 66 13.818 7.416 -32.877 610 HG3 GLU 66 HG1 GLU 66 14.338 8.120 -31.357 611 H VAL 67 HN VAL 67 12.924 4.512 -30.967 612 HA VAL 67 HA VAL 67 12.931 2.328 -32.822 613 HB VAL 67 HB VAL 67 10.633 1.832 -31.956 614 HG11 VAL 67 HG11 VAL 67 11.397 1.147 -29.713 615 HG12 VAL 67 HG12 VAL 67 12.820 2.181 -29.879 616 HG13 VAL 67 HG13 VAL 67 12.601 0.798 -30.958 617 HG21 VAL 67 HG21 VAL 67 9.901 4.114 -31.357 618 HG22 VAL 67 HG22 VAL 67 11.140 4.202 -30.102 619 HG23 VAL 67 HG23 VAL 67 9.815 3.043 -29.957 620 H VAL 68 HN VAL 68 12.189 5.545 -33.468 621 HA VAL 68 HA VAL 68 10.047 5.117 -35.344 622 HB VAL 68 HB VAL 68 10.498 7.309 -36.258 623 HG11 VAL 68 HG11 VAL 68 9.345 7.261 -34.106 624 HG12 VAL 68 HG12 VAL 68 10.359 8.698 -34.224 625 HG13 VAL 68 HG13 VAL 68 10.888 7.329 -33.247 626 HG21 VAL 68 HG21 VAL 68 12.947 7.241 -36.472 627 HG22 VAL 68 HG22 VAL 68 13.131 7.317 -34.719 628 HG23 VAL 68 HG23 VAL 68 12.455 8.693 -35.595 629 H HIS 69 HN HIS 69 13.361 4.293 -35.408 630 HA HIS 69 HA HIS 69 13.648 4.166 -38.310 631 HB2 HIS 69 HB2 HIS 69 15.489 3.037 -36.148 632 HB3 HIS 69 HB1 HIS 69 15.895 3.284 -37.848 633 HD1 HIS 69 HD1 HIS 69 15.328 6.108 -38.429 634 HD2 HIS 69 HD2 HIS 69 16.747 4.936 -34.695 635 HE1 HIS 69 HE1 HIS 69 16.317 8.179 -37.400 636 HE2 HIS 69 HE2 HIS 69 17.001 7.490 -35.082 637 H LEU 70 HN LEU 70 12.659 2.108 -35.687 638 HA LEU 70 HA LEU 70 12.323 -0.210 -37.475 639 HB2 LEU 70 HB2 LEU 70 13.004 -1.757 -35.665 640 HB3 LEU 70 HB1 LEU 70 14.321 -0.731 -36.195 641 HG LEU 70 HG LEU 70 12.752 -0.077 -33.662 642 HD11 LEU 70 HD11 LEU 70 14.443 -1.253 -32.338 643 HD12 LEU 70 HD12 LEU 70 15.222 -1.838 -33.812 644 HD13 LEU 70 HD13 LEU 70 13.590 -2.373 -33.403 645 HD21 LEU 70 HD21 LEU 70 14.174 1.724 -34.543 646 HD22 LEU 70 HD22 LEU 70 15.574 0.649 -34.541 647 HD23 LEU 70 HD23 LEU 70 14.811 1.114 -33.017 648 H ASP 71 HN ASP 71 11.211 -1.825 -35.255 649 HA ASP 71 HA ASP 71 8.502 -1.078 -35.348 650 HB2 ASP 71 HB2 ASP 71 10.010 -2.987 -33.528 651 HB3 ASP 71 HB1 ASP 71 8.255 -2.827 -33.498 652 H GLY 72 HN GLY 72 7.755 0.765 -34.455 653 HA2 GLY 72 HA2 GLY 72 8.821 1.971 -32.068 654 HA3 GLY 72 HA1 GLY 72 7.441 2.522 -32.993 655 H MET 73 HN MET 73 5.865 0.230 -32.913 656 HA MET 73 HA MET 73 4.604 0.633 -30.360 657 HB2 MET 73 HB2 MET 73 3.927 -0.861 -32.886 658 HB3 MET 73 HB1 MET 73 3.047 -1.283 -31.423 659 HG2 MET 73 HG2 MET 73 3.232 1.582 -32.378 660 HG3 MET 73 HG1 MET 73 1.995 0.463 -32.955 661 HE1 MET 73 HE1 MET 73 0.566 2.778 -31.820 662 HE2 MET 73 HE2 MET 73 1.988 3.346 -30.944 663 HE3 MET 73 HE3 MET 73 0.491 3.001 -30.074 664 H ALA 74 HN ALA 74 6.436 -2.025 -31.828 665 HA ALA 74 HA ALA 74 6.668 -3.363 -29.226 666 HB1 ALA 74 HB1 ALA 74 5.830 -5.527 -30.039 667 HB2 ALA 74 HB2 ALA 74 5.430 -4.804 -31.601 668 HB3 ALA 74 HB3 ALA 74 4.574 -4.290 -30.146 669 H THR 75 HN THR 75 8.824 -2.578 -29.636 670 HA THR 75 HA THR 75 10.487 -3.914 -31.582 671 HB THR 75 HB THR 75 11.175 -1.698 -31.149 672 HG1 THR 75 HG1 THR 75 13.000 -2.908 -31.288 673 HG21 THR 75 HG21 THR 75 11.705 -0.767 -28.937 674 HG22 THR 75 HG22 THR 75 11.247 -2.286 -28.162 675 HG23 THR 75 HG23 THR 75 10.028 -1.311 -28.990 676 H ALA 76 HN ALA 76 10.448 -3.925 -27.977 677 HA ALA 76 HA ALA 76 10.950 -6.600 -27.437 678 HB1 ALA 76 HB1 ALA 76 13.387 -6.655 -26.985 679 HB2 ALA 76 HB2 ALA 76 13.548 -5.035 -27.675 680 HB3 ALA 76 HB3 ALA 76 13.049 -6.383 -28.697 681 H LEU 77 HN LEU 77 9.554 -4.405 -26.297 682 HA LEU 77 HA LEU 77 11.049 -3.075 -24.246 683 HB2 LEU 77 HB2 LEU 77 9.122 -2.123 -25.595 684 HB3 LEU 77 HB1 LEU 77 8.053 -3.125 -24.657 685 HG LEU 77 HG LEU 77 8.440 -0.538 -24.100 686 HD11 LEU 77 HD11 LEU 77 6.836 -1.949 -22.953 687 HD12 LEU 77 HD12 LEU 77 7.665 -0.861 -21.848 688 HD13 LEU 77 HD13 LEU 77 8.111 -2.570 -21.899 689 HD21 LEU 77 HD21 LEU 77 10.831 -0.683 -23.753 690 HD22 LEU 77 HD22 LEU 77 10.603 -1.834 -22.431 691 HD23 LEU 77 HD23 LEU 77 10.010 -0.179 -22.280 692 H ASP 78 HN ASP 78 11.569 -3.925 -22.415 693 HA ASP 78 HA ASP 78 9.912 -5.947 -21.020 694 HB2 ASP 78 HB2 ASP 78 12.972 -5.988 -21.205 695 HB3 ASP 78 HB1 ASP 78 11.944 -7.207 -20.473 696 H ASP 79 HN ASP 79 11.179 -6.254 -18.745 697 HA ASP 79 HA ASP 79 10.597 -3.907 -17.273 698 HB2 ASP 79 HB2 ASP 79 11.187 -5.207 -15.298 699 HB3 ASP 79 HB1 ASP 79 10.285 -6.230 -16.408 700 H GLY 80 HN GLY 80 11.909 -2.630 -15.973 701 HA2 GLY 80 HA2 GLY 80 13.709 -1.381 -15.341 702 HA3 GLY 80 HA1 GLY 80 14.741 -2.720 -15.820 703 H ASP 81 HN ASP 81 12.715 -1.571 -18.373 704 HA ASP 81 HA ASP 81 14.972 -0.568 -19.849 705 HB2 ASP 81 HB2 ASP 81 12.916 -1.767 -20.903 706 HB3 ASP 81 HB1 ASP 81 12.056 -0.260 -20.682 707 H ALA 82 HN ALA 82 15.184 1.589 -20.750 708 HA ALA 82 HA ALA 82 13.689 3.744 -19.331 709 HB1 ALA 82 HB1 ALA 82 15.646 5.188 -19.752 710 HB2 ALA 82 HB2 ALA 82 16.495 3.843 -20.521 711 HB3 ALA 82 HB3 ALA 82 16.092 3.770 -18.802 712 H VAL 83 HN VAL 83 11.990 3.951 -20.796 713 HA VAL 83 HA VAL 83 12.425 4.044 -23.698 714 HB VAL 83 HB VAL 83 9.848 4.531 -22.107 715 HG11 VAL 83 HG11 VAL 83 8.656 4.016 -24.206 716 HG12 VAL 83 HG12 VAL 83 10.199 3.856 -25.051 717 HG13 VAL 83 HG13 VAL 83 9.712 5.420 -24.393 718 HG21 VAL 83 HG21 VAL 83 10.799 1.918 -23.322 719 HG22 VAL 83 HG22 VAL 83 9.216 2.202 -22.590 720 HG23 VAL 83 HG23 VAL 83 10.672 2.286 -21.598 721 H SER 84 HN SER 84 13.262 5.941 -24.397 722 HA SER 84 HA SER 84 12.670 8.503 -23.072 723 HB2 SER 84 HB2 SER 84 14.693 7.762 -25.232 724 HB3 SER 84 HB1 SER 84 14.565 9.338 -24.469 725 HG SER 84 HG SER 84 14.867 7.046 -22.876 726 H VAL 85 HN VAL 85 11.735 10.297 -24.275 727 HA VAL 85 HA VAL 85 10.761 9.777 -26.988 728 HB VAL 85 HB VAL 85 8.474 10.480 -26.584 729 HG11 VAL 85 HG11 VAL 85 7.561 8.596 -25.288 730 HG12 VAL 85 HG12 VAL 85 9.160 8.270 -24.611 731 HG13 VAL 85 HG13 VAL 85 8.877 8.065 -26.340 732 HG21 VAL 85 HG21 VAL 85 8.811 12.068 -24.763 733 HG22 VAL 85 HG22 VAL 85 9.181 10.749 -23.648 734 HG23 VAL 85 HG23 VAL 85 7.558 10.900 -24.328 735 H PHE 86 HN PHE 86 10.596 11.517 -28.203 736 HA PHE 86 HA PHE 86 10.943 14.251 -27.142 737 HB2 PHE 86 HB2 PHE 86 12.153 13.147 -29.749 738 HB3 PHE 86 HB1 PHE 86 12.248 14.816 -29.202 739 HD1 PHE 86 HD2 PHE 86 13.220 11.348 -28.155 740 HD2 PHE 86 HD1 PHE 86 14.209 15.507 -28.033 741 HE1 PHE 86 HE2 PHE 86 15.349 10.816 -27.068 742 HE2 PHE 86 HE1 PHE 86 16.355 14.951 -26.952 743 HZ PHE 86 HZ PHE 86 16.920 12.587 -26.480 744 HA PRO 87 HA PRO 87 7.027 14.674 -29.446 745 HB2 PRO 87 HB2 PRO 87 7.035 17.428 -29.725 746 HB3 PRO 87 HB1 PRO 87 6.651 16.615 -28.199 747 HG2 PRO 87 HG2 PRO 87 9.298 17.729 -29.132 748 HG3 PRO 87 HG1 PRO 87 8.460 17.998 -27.585 749 HD2 PRO 87 HD2 PRO 87 10.411 16.214 -27.705 750 HD3 PRO 87 HD1 PRO 87 8.931 15.825 -26.799 751 HA PRO 88 HA PRO 88 7.967 15.029 -33.795 752 HB2 PRO 88 HB2 PRO 88 5.716 16.887 -34.366 753 HB3 PRO 88 HB1 PRO 88 5.947 15.218 -34.884 754 HG2 PRO 88 HG2 PRO 88 4.075 15.953 -33.038 755 HG3 PRO 88 HG1 PRO 88 4.817 14.344 -33.095 756 HD2 PRO 88 HD2 PRO 88 5.396 16.632 -31.232 757 HD3 PRO 88 HD1 PRO 88 5.435 14.877 -30.939 758 H VAL 89 HN VAL 89 9.452 16.285 -34.828 759 HA VAL 89 HA VAL 89 10.287 18.671 -33.359 760 HB VAL 89 HB VAL 89 12.443 18.423 -34.731 761 HG11 VAL 89 HG11 VAL 89 11.586 16.058 -33.006 762 HG12 VAL 89 HG12 VAL 89 12.289 17.572 -32.428 763 HG13 VAL 89 HG13 VAL 89 13.255 16.475 -33.415 764 HG21 VAL 89 HG21 VAL 89 11.504 17.152 -36.651 765 HG22 VAL 89 HG22 VAL 89 11.178 15.781 -35.589 766 HG23 VAL 89 HG23 VAL 89 12.844 16.279 -35.899 767 H ALA 90 HN ALA 90 9.283 17.833 -36.632 768 HA ALA 90 HA ALA 90 8.540 20.635 -37.063 769 HB1 ALA 90 HB1 ALA 90 10.216 19.084 -39.092 770 HB2 ALA 90 HB2 ALA 90 10.755 20.473 -38.147 771 HB3 ALA 90 HB3 ALA 90 9.485 20.673 -39.354 772 H GLY 91 HN GLY 91 6.401 20.287 -37.134 773 HA2 GLY 91 HA2 GLY 91 5.298 18.254 -39.003 774 HA3 GLY 91 HA1 GLY 91 4.555 18.651 -37.460 775 H GLY 92 HN GLY 92 5.763 20.318 -40.353 776 HA2 GLY 92 HA2 GLY 92 3.257 21.897 -40.522 777 HA3 GLY 92 HA1 GLY 92 4.823 22.698 -40.592 Start of MODEL 12 1 H1 GLY -13 HT1 GLY -13 -1.085 -7.067 0.147 2 H2 GLY -13 HT2 GLY -13 0.254 -7.598 -0.736 3 H3 GLY -13 HT3 GLY -13 -1.031 -6.836 -1.530 4 HA2 GLY -13 HA1 GLY -13 -0.569 -4.775 -0.368 5 HA3 GLY -13 HA2 GLY -13 0.758 -5.573 0.467 6 H GLY -12 HN GLY -12 2.424 -4.306 -0.339 7 HA2 GLY -12 HA2 GLY -12 4.171 -3.956 -1.825 8 HA3 GLY -12 HA1 GLY -12 3.267 -4.773 -3.091 9 H GLY -11 HN GLY -11 4.599 -2.616 -3.853 10 HA2 GLY -11 HA2 GLY -11 3.263 -0.104 -3.501 11 HA3 GLY -11 HA1 GLY -11 4.541 -0.457 -4.652 12 H ARG -10 HN ARG -10 3.984 -1.336 -6.717 13 HA ARG -10 HA ARG -10 1.166 -0.931 -7.535 14 HB2 ARG -10 HB2 ARG -10 3.730 -0.440 -9.102 15 HB3 ARG -10 HB1 ARG -10 2.144 -0.493 -9.852 16 HG2 ARG -10 HG2 ARG -10 2.949 1.494 -7.702 17 HG3 ARG -10 HG1 ARG -10 3.010 1.820 -9.434 18 HD2 ARG -10 HD2 ARG -10 0.980 2.802 -8.681 19 HD3 ARG -10 HD1 ARG -10 0.499 1.303 -9.476 20 HE ARG -10 HE ARG -10 0.855 0.932 -6.668 21 HH11 ARG -10 HH11 ARG -10 -1.465 2.181 -8.999 22 HH12 ARG -10 HH12 ARG -10 -2.811 1.965 -7.930 23 HH21 ARG -10 HH21 ARG -10 -0.918 0.633 -5.310 24 HH22 ARG -10 HH22 ARG -10 -2.508 1.083 -5.847 25 H ASP -9 HN ASP -9 0.557 -2.992 -7.130 26 HA ASP -9 HA ASP -9 1.615 -5.162 -8.858 27 HB2 ASP -9 HB2 ASP -9 0.429 -5.360 -6.038 28 HB3 ASP -9 HB1 ASP -9 0.884 -6.735 -7.043 29 H TYR -8 HN TYR -8 0.099 -5.395 -10.481 30 HA TYR -8 HA TYR -8 -2.668 -4.754 -10.293 31 HB2 TYR -8 HB2 TYR -8 -1.185 -6.593 -12.210 32 HB3 TYR -8 HB1 TYR -8 -2.892 -6.208 -12.375 33 HD1 TYR -8 HD2 TYR -8 -1.815 -3.145 -11.310 34 HD2 TYR -8 HD1 TYR -8 -1.239 -5.738 -14.669 35 HE1 TYR -8 HE2 TYR -8 -1.191 -1.220 -12.702 36 HE2 TYR -8 HE1 TYR -8 -0.625 -3.801 -16.047 37 HH TYR -8 HH TYR -8 -0.981 -1.376 -16.095 38 H LYS -7 HN LYS -7 -0.899 -7.805 -10.214 39 HA LYS -7 HA LYS -7 -1.250 -9.860 -9.416 40 HB2 LYS -7 HB2 LYS -7 -3.513 -8.612 -7.822 41 HB3 LYS -7 HB1 LYS -7 -2.917 -10.242 -7.608 42 HG2 LYS -7 HG2 LYS -7 -1.332 -7.700 -7.145 43 HG3 LYS -7 HG1 LYS -7 -2.035 -8.716 -5.887 44 HD2 LYS -7 HD2 LYS -7 0.093 -9.705 -7.830 45 HD3 LYS -7 HD1 LYS -7 0.476 -8.963 -6.279 46 HE2 LYS -7 HE2 LYS -7 0.593 -11.340 -5.993 47 HE3 LYS -7 HE1 LYS -7 -0.853 -10.791 -5.158 48 HZ1 LYS -7 HZ1 LYS -7 -2.200 -11.616 -6.928 49 HZ2 LYS -7 HZ2 LYS -7 -1.138 -12.846 -6.459 50 HZ3 LYS -7 HZ3 LYS -7 -0.848 -11.984 -7.878 51 H ASP -6 HN ASP -6 -3.226 -8.448 -11.553 52 HA ASP -6 HA ASP -6 -5.469 -10.165 -11.778 53 HB2 ASP -6 HB2 ASP -6 -5.481 -7.918 -12.746 54 HB3 ASP -6 HB1 ASP -6 -4.117 -8.316 -13.782 55 H ASP -5 HN ASP -5 -2.248 -10.183 -13.171 56 HA ASP -5 HA ASP -5 -2.497 -12.205 -15.106 57 HB2 ASP -5 HB2 ASP -5 -0.563 -10.737 -15.076 58 HB3 ASP -5 HB1 ASP -5 -0.121 -11.243 -13.453 59 H ASP -4 HN ASP -4 -0.953 -12.489 -11.933 60 HA ASP -4 HA ASP -4 -2.181 -14.760 -10.893 61 HB2 ASP -4 HB2 ASP -4 -1.210 -16.114 -12.697 62 HB3 ASP -4 HB1 ASP -4 0.365 -15.368 -12.488 63 H ASP -3 HN ASP -3 1.235 -13.859 -11.372 64 HA ASP -3 HA ASP -3 1.593 -13.006 -8.606 65 HB2 ASP -3 HB2 ASP -3 3.360 -14.045 -10.328 66 HB3 ASP -3 HB1 ASP -3 3.514 -12.387 -10.887 67 H LYS -2 HN LYS -2 2.955 -10.528 -8.942 68 HA LYS -2 HA LYS -2 1.050 -8.555 -9.264 69 HB2 LYS -2 HB2 LYS -2 2.943 -6.971 -9.578 70 HB3 LYS -2 HB1 LYS -2 3.202 -8.096 -8.251 71 HG2 LYS -2 HG2 LYS -2 4.669 -9.468 -9.779 72 HG3 LYS -2 HG1 LYS -2 4.483 -8.215 -11.005 73 HD2 LYS -2 HD2 LYS -2 6.597 -7.874 -9.872 74 HD3 LYS -2 HD1 LYS -2 5.504 -6.562 -9.430 75 HE2 LYS -2 HE2 LYS -2 6.722 -7.325 -7.456 76 HE3 LYS -2 HE1 LYS -2 5.015 -7.719 -7.282 77 HZ1 LYS -2 HZ1 LYS -2 6.424 -9.548 -6.584 78 HZ2 LYS -2 HZ2 LYS -2 7.149 -9.618 -8.111 79 HZ3 LYS -2 HZ3 LYS -2 5.509 -9.993 -7.935 80 H GLY -1 HN GLY -1 3.113 -10.014 -11.739 81 HA2 GLY -1 HA2 GLY -1 3.088 -10.033 -14.017 82 HA3 GLY -1 HA1 GLY -1 1.390 -9.592 -13.913 83 H THR 0 HN THR 0 4.100 -7.736 -12.692 84 HA THR 0 HA THR 0 3.498 -5.540 -14.581 85 HB THR 0 HB THR 0 3.879 -3.925 -12.697 86 HG1 THR 0 HG1 THR 0 3.636 -4.838 -10.531 87 HG21 THR 0 HG21 THR 0 1.571 -4.467 -13.335 88 HG22 THR 0 HG22 THR 0 1.688 -4.177 -11.599 89 HG23 THR 0 HG23 THR 0 1.567 -5.827 -12.211 90 H MET 1 HN MET 1 5.203 -4.319 -15.234 91 HA MET 1 HA MET 1 7.881 -4.774 -14.096 92 HB2 MET 1 HB2 MET 1 8.881 -4.794 -16.304 93 HB3 MET 1 HB1 MET 1 7.673 -6.059 -16.215 94 HG2 MET 1 HG2 MET 1 6.115 -4.641 -17.498 95 HG3 MET 1 HG1 MET 1 7.359 -3.389 -17.600 96 HE1 MET 1 HE1 MET 1 7.437 -3.216 -20.142 97 HE2 MET 1 HE2 MET 1 6.062 -4.322 -20.242 98 HE3 MET 1 HE3 MET 1 7.487 -4.592 -21.244 99 H GLU 2 HN GLU 2 9.260 -2.952 -14.155 100 HA GLU 2 HA GLU 2 7.760 -0.400 -14.262 101 HB2 GLU 2 HB2 GLU 2 8.642 -1.312 -12.034 102 HB3 GLU 2 HB1 GLU 2 10.264 -0.991 -12.632 103 HG2 GLU 2 HG2 GLU 2 9.617 1.423 -12.899 104 HG3 GLU 2 HG1 GLU 2 8.060 1.040 -12.152 105 H LEU 3 HN LEU 3 8.283 0.847 -15.957 106 HA LEU 3 HA LEU 3 10.898 0.585 -17.294 107 HB2 LEU 3 HB2 LEU 3 8.409 1.912 -18.417 108 HB3 LEU 3 HB1 LEU 3 9.833 1.342 -19.282 109 HG LEU 3 HG LEU 3 7.815 -0.485 -17.932 110 HD11 LEU 3 HD11 LEU 3 6.782 0.671 -19.807 111 HD12 LEU 3 HD12 LEU 3 7.049 -1.025 -20.205 112 HD13 LEU 3 HD13 LEU 3 8.120 0.214 -20.867 113 HD21 LEU 3 HD21 LEU 3 10.062 -1.474 -18.069 114 HD22 LEU 3 HD22 LEU 3 10.119 -1.139 -19.802 115 HD23 LEU 3 HD23 LEU 3 8.940 -2.284 -19.158 116 H GLU 4 HN GLU 4 12.197 2.412 -17.701 117 HA GLU 4 HA GLU 4 11.592 4.833 -16.161 118 HB2 GLU 4 HB2 GLU 4 13.861 3.870 -15.997 119 HB3 GLU 4 HB1 GLU 4 14.084 4.067 -17.729 120 HG2 GLU 4 HG2 GLU 4 13.834 6.556 -17.408 121 HG3 GLU 4 HG1 GLU 4 13.803 6.279 -15.668 122 H LEU 5 HN LEU 5 10.159 6.151 -17.229 123 HA LEU 5 HA LEU 5 10.343 6.447 -20.142 124 HB2 LEU 5 HB2 LEU 5 8.225 7.559 -18.308 125 HB3 LEU 5 HB1 LEU 5 8.176 7.487 -20.061 126 HG LEU 5 HG LEU 5 7.977 5.167 -18.112 127 HD11 LEU 5 HD11 LEU 5 6.030 6.287 -20.143 128 HD12 LEU 5 HD12 LEU 5 5.942 6.467 -18.388 129 HD13 LEU 5 HD13 LEU 5 5.762 4.875 -19.118 130 HD21 LEU 5 HD21 LEU 5 7.735 3.675 -20.066 131 HD22 LEU 5 HD22 LEU 5 9.339 4.394 -19.992 132 HD23 LEU 5 HD23 LEU 5 8.152 5.008 -21.147 133 H ARG 6 HN ARG 6 11.796 7.843 -20.721 134 HA ARG 6 HA ARG 6 12.241 10.348 -19.279 135 HB2 ARG 6 HB2 ARG 6 13.681 9.228 -21.715 136 HB3 ARG 6 HB1 ARG 6 14.182 10.612 -20.747 137 HG2 ARG 6 HG2 ARG 6 14.488 9.078 -18.798 138 HG3 ARG 6 HG1 ARG 6 14.095 7.715 -19.846 139 HD2 ARG 6 HD2 ARG 6 16.513 7.920 -19.608 140 HD3 ARG 6 HD1 ARG 6 16.043 8.271 -21.275 141 HE ARG 6 HE ARG 6 16.110 10.718 -20.009 142 HH11 ARG 6 HH11 ARG 6 18.454 8.180 -20.630 143 HH12 ARG 6 HH12 ARG 6 19.808 9.264 -20.614 144 HH21 ARG 6 HH21 ARG 6 17.895 12.137 -20.028 145 HH22 ARG 6 HH22 ARG 6 19.492 11.501 -20.276 146 H PHE 7 HN PHE 7 11.260 12.180 -19.895 147 HA PHE 7 HA PHE 7 10.053 12.418 -22.614 148 HB2 PHE 7 HB2 PHE 7 9.222 13.806 -20.017 149 HB3 PHE 7 HB1 PHE 7 8.483 14.056 -21.599 150 HD1 PHE 7 HD2 PHE 7 8.866 11.701 -18.796 151 HD2 PHE 7 HD1 PHE 7 6.975 12.394 -22.565 152 HE1 PHE 7 HE2 PHE 7 7.350 9.806 -18.402 153 HE2 PHE 7 HE1 PHE 7 5.454 10.497 -22.150 154 HZ PHE 7 HZ PHE 7 5.651 9.199 -20.066 155 H PHE 8 HN PHE 8 10.586 14.158 -23.838 156 HA PHE 8 HA PHE 8 12.373 16.226 -22.698 157 HB2 PHE 8 HB2 PHE 8 12.878 14.772 -25.331 158 HB3 PHE 8 HB1 PHE 8 13.861 16.075 -24.660 159 HD1 PHE 8 HD1 PHE 8 14.907 15.647 -22.289 160 HD2 PHE 8 HD2 PHE 8 13.436 12.530 -24.813 161 HE1 PHE 8 HE1 PHE 8 16.200 13.992 -21.010 162 HE2 PHE 8 HE2 PHE 8 14.740 10.891 -23.543 163 HZ PHE 8 HZ PHE 8 16.115 11.609 -21.619 164 H ALA 9 HN ALA 9 12.560 18.131 -24.013 165 HA ALA 9 HA ALA 9 11.694 19.972 -24.940 166 HB1 ALA 9 HB1 ALA 9 10.572 18.014 -26.943 167 HB2 ALA 9 HB2 ALA 9 12.181 18.739 -26.980 168 HB3 ALA 9 HB3 ALA 9 10.750 19.749 -27.196 169 H THR 10 HN THR 10 8.845 19.410 -26.502 170 HA THR 10 HA THR 10 7.180 20.730 -24.701 171 HB THR 10 HB THR 10 6.346 18.859 -26.955 172 HG1 THR 10 HG1 THR 10 7.195 21.561 -26.921 173 HG21 THR 10 HG21 THR 10 4.436 19.455 -25.519 174 HG22 THR 10 HG22 THR 10 4.305 20.249 -27.086 175 HG23 THR 10 HG23 THR 10 4.832 21.173 -25.681 176 H PHE 11 HN PHE 11 7.380 17.227 -25.433 177 HA PHE 11 HA PHE 11 5.250 16.359 -23.799 178 HB2 PHE 11 HB2 PHE 11 7.715 14.887 -24.818 179 HB3 PHE 11 HB1 PHE 11 6.454 14.080 -23.905 180 HD1 PHE 11 HD1 PHE 11 4.806 16.458 -25.952 181 HD2 PHE 11 HD2 PHE 11 6.817 12.685 -26.164 182 HE1 PHE 11 HE1 PHE 11 3.605 15.916 -28.034 183 HE2 PHE 11 HE2 PHE 11 5.606 12.168 -28.249 184 HZ PHE 11 HZ PHE 11 3.996 13.768 -29.170 185 H ARG 12 HN ARG 12 8.507 17.290 -22.997 186 HA ARG 12 HA ARG 12 8.769 15.960 -20.502 187 HB2 ARG 12 HB2 ARG 12 10.687 16.897 -21.775 188 HB3 ARG 12 HB1 ARG 12 10.128 18.511 -21.409 189 HG2 ARG 12 HG2 ARG 12 10.412 17.985 -18.963 190 HG3 ARG 12 HG1 ARG 12 11.106 16.433 -19.425 191 HD2 ARG 12 HD2 ARG 12 12.918 17.935 -18.942 192 HD3 ARG 12 HD1 ARG 12 12.888 17.676 -20.685 193 HE ARG 12 HE ARG 12 11.844 19.863 -20.933 194 HH11 ARG 12 HH11 ARG 12 13.374 19.258 -17.826 195 HH12 ARG 12 HH12 ARG 12 13.571 20.945 -17.462 196 HH21 ARG 12 HH21 ARG 12 12.082 22.056 -20.428 197 HH22 ARG 12 HH22 ARG 12 12.832 22.528 -18.932 198 H GLU 13 HN GLU 13 7.781 19.302 -21.359 199 HA GLU 13 HA GLU 13 7.401 20.060 -18.612 200 HB2 GLU 13 HB2 GLU 13 6.582 22.229 -19.493 201 HB3 GLU 13 HB1 GLU 13 8.135 21.767 -20.164 202 HG2 GLU 13 HG2 GLU 13 6.975 22.703 -21.971 203 HG3 GLU 13 HG1 GLU 13 6.858 20.968 -22.226 204 H VAL 14 HN VAL 14 5.369 18.683 -21.052 205 HA VAL 14 HA VAL 14 2.817 19.058 -19.929 206 HB VAL 14 HB VAL 14 3.938 16.671 -21.470 207 HG11 VAL 14 HG11 VAL 14 1.590 16.018 -21.895 208 HG12 VAL 14 HG12 VAL 14 1.044 17.272 -20.778 209 HG13 VAL 14 HG13 VAL 14 2.012 15.922 -20.187 210 HG21 VAL 14 HG21 VAL 14 2.205 18.982 -22.431 211 HG22 VAL 14 HG22 VAL 14 2.762 17.625 -23.415 212 HG23 VAL 14 HG23 VAL 14 3.926 18.775 -22.758 213 H VAL 15 HN VAL 15 5.128 16.389 -19.486 214 HA VAL 15 HA VAL 15 3.673 15.162 -17.312 215 HB VAL 15 HB VAL 15 6.438 14.550 -18.476 216 HG11 VAL 15 HG11 VAL 15 6.251 13.583 -16.217 217 HG12 VAL 15 HG12 VAL 15 6.222 12.307 -17.433 218 HG13 VAL 15 HG13 VAL 15 4.723 12.813 -16.649 219 HG21 VAL 15 HG21 VAL 15 3.731 13.264 -19.053 220 HG22 VAL 15 HG22 VAL 15 5.279 12.745 -19.723 221 HG23 VAL 15 HG23 VAL 15 4.628 14.328 -20.142 222 H GLY 16 HN GLY 16 5.917 17.704 -17.575 223 HA2 GLY 16 HA2 GLY 16 7.045 19.027 -16.091 224 HA3 GLY 16 HA1 GLY 16 6.167 18.225 -14.795 225 H GLN 17 HN GLN 17 7.935 16.150 -16.885 226 HA GLN 17 HA GLN 17 10.156 15.832 -14.977 227 HB2 GLN 17 HB2 GLN 17 8.203 13.619 -15.766 228 HB3 GLN 17 HB1 GLN 17 9.722 13.341 -14.921 229 HG2 GLN 17 HG2 GLN 17 7.454 15.020 -13.821 230 HG3 GLN 17 HG1 GLN 17 7.662 13.303 -13.484 231 HE21 GLN 17 HE21 GLN 17 9.453 12.632 -12.216 232 HE22 GLN 17 HE22 GLN 17 10.284 13.730 -11.173 233 H LYS 18 HN LYS 18 11.936 14.819 -15.831 234 HA LYS 18 HA LYS 18 12.059 14.608 -18.777 235 HB2 LYS 18 HB2 LYS 18 14.566 14.935 -18.408 236 HB3 LYS 18 HB1 LYS 18 13.535 16.315 -18.053 237 HG2 LYS 18 HG2 LYS 18 13.636 15.649 -15.612 238 HG3 LYS 18 HG1 LYS 18 14.864 14.460 -16.066 239 HD2 LYS 18 HD2 LYS 18 15.080 17.473 -16.506 240 HD3 LYS 18 HD1 LYS 18 15.867 16.574 -15.205 241 HE2 LYS 18 HE2 LYS 18 16.374 16.204 -18.179 242 HE3 LYS 18 HE1 LYS 18 17.426 17.049 -17.047 243 HZ1 LYS 18 HZ1 LYS 18 17.736 14.976 -15.845 244 HZ2 LYS 18 HZ2 LYS 18 18.200 14.812 -17.460 245 HZ3 LYS 18 HZ3 LYS 18 16.732 14.165 -16.936 246 H SER 19 HN SER 19 12.478 12.797 -15.816 247 HA SER 19 HA SER 19 12.204 10.373 -17.400 248 HB2 SER 19 HB2 SER 19 14.357 10.328 -15.232 249 HB3 SER 19 HB1 SER 19 13.987 9.093 -16.428 250 HG SER 19 HG SER 19 15.599 9.974 -17.427 251 H ILE 20 HN ILE 20 10.885 8.926 -16.366 252 HA ILE 20 HA ILE 20 10.395 9.150 -13.461 253 HB ILE 20 HB ILE 20 7.983 8.708 -13.758 254 HG12 ILE 20 HG12 ILE 20 8.538 8.982 -16.748 255 HG13 ILE 20 HG11 ILE 20 8.028 7.509 -15.920 256 HG21 ILE 20 HG21 ILE 20 8.724 11.042 -13.568 257 HG22 ILE 20 HG22 ILE 20 7.278 10.916 -14.573 258 HG23 ILE 20 HG23 ILE 20 8.859 11.144 -15.326 259 HD11 ILE 20 HD11 ILE 20 5.879 8.606 -15.360 260 HD12 ILE 20 HD12 ILE 20 6.164 8.480 -17.095 261 HD13 ILE 20 HD13 ILE 20 6.391 10.025 -16.277 262 H TYR 21 HN TYR 21 9.049 7.137 -12.779 263 HA TYR 21 HA TYR 21 9.779 4.744 -14.346 264 HB2 TYR 21 HB2 TYR 21 10.032 5.242 -11.372 265 HB3 TYR 21 HB1 TYR 21 9.652 3.616 -11.931 266 HD1 TYR 21 HD2 TYR 21 11.207 2.654 -13.822 267 HD2 TYR 21 HD1 TYR 21 12.363 5.862 -11.234 268 HE1 TYR 21 HE2 TYR 21 13.560 2.140 -14.230 269 HE2 TYR 21 HE1 TYR 21 14.728 5.328 -11.657 270 HH TYR 21 HH TYR 21 16.066 3.355 -12.360 271 H TRP 22 HN TRP 22 8.038 3.999 -15.197 272 HA TRP 22 HA TRP 22 5.374 4.314 -13.978 273 HB2 TRP 22 HB2 TRP 22 6.385 4.693 -16.672 274 HB3 TRP 22 HB1 TRP 22 5.258 3.356 -16.725 275 HD1 TRP 22 HD1 TRP 22 5.022 6.821 -14.913 276 HE1 TRP 22 HE1 TRP 22 2.804 7.902 -15.637 277 HE3 TRP 22 HE3 TRP 22 3.315 3.167 -18.034 278 HZ2 TRP 22 HZ2 TRP 22 0.626 7.308 -17.346 279 HZ3 TRP 22 HZ3 TRP 22 1.154 3.483 -19.159 280 HH2 TRP 22 HH2 TRP 22 -0.161 5.508 -18.810 281 H ARG 23 HN ARG 23 4.331 2.521 -13.340 282 HA ARG 23 HA ARG 23 5.494 -0.117 -13.931 283 HB2 ARG 23 HB2 ARG 23 4.865 0.623 -11.549 284 HB3 ARG 23 HB1 ARG 23 3.183 0.495 -12.046 285 HG2 ARG 23 HG2 ARG 23 3.668 -1.561 -10.980 286 HG3 ARG 23 HG1 ARG 23 3.710 -1.926 -12.701 287 HD2 ARG 23 HD2 ARG 23 5.569 -3.027 -11.583 288 HD3 ARG 23 HD1 ARG 23 6.186 -1.779 -12.662 289 HE ARG 23 HE ARG 23 6.807 -0.467 -10.820 290 HH11 ARG 23 HH11 ARG 23 5.400 -3.512 -9.721 291 HH12 ARG 23 HH12 ARG 23 6.047 -3.356 -8.123 292 HH21 ARG 23 HH21 ARG 23 7.638 -0.301 -8.743 293 HH22 ARG 23 HH22 ARG 23 7.299 -1.535 -7.561 294 H VAL 24 HN VAL 24 4.758 -0.919 -15.771 295 HA VAL 24 HA VAL 24 1.851 -0.905 -16.401 296 HB VAL 24 HB VAL 24 2.546 -1.507 -18.750 297 HG11 VAL 24 HG11 VAL 24 3.307 0.731 -19.456 298 HG12 VAL 24 HG12 VAL 24 3.719 1.128 -17.786 299 HG13 VAL 24 HG13 VAL 24 2.038 0.842 -18.235 300 HG21 VAL 24 HG21 VAL 24 4.747 -2.501 -18.244 301 HG22 VAL 24 HG22 VAL 24 5.377 -0.914 -17.795 302 HG23 VAL 24 HG23 VAL 24 4.893 -1.234 -19.464 303 H ASP 25 HN ASP 25 1.435 -3.112 -17.785 304 HA ASP 25 HA ASP 25 2.192 -5.317 -16.058 305 HB2 ASP 25 HB2 ASP 25 0.726 -6.699 -17.396 306 HB3 ASP 25 HB1 ASP 25 -0.088 -5.176 -17.071 307 H ASP 26 HN ASP 26 2.983 -7.389 -17.087 308 HA ASP 26 HA ASP 26 5.597 -6.985 -18.085 309 HB2 ASP 26 HB2 ASP 26 5.210 -8.858 -16.667 310 HB3 ASP 26 HB1 ASP 26 3.872 -9.437 -17.648 311 H ASP 27 HN ASP 27 2.556 -7.692 -19.739 312 HA ASP 27 HA ASP 27 3.795 -8.553 -22.230 313 HB2 ASP 27 HB2 ASP 27 1.666 -9.570 -21.615 314 HB3 ASP 27 HB1 ASP 27 0.900 -7.999 -21.452 315 H ALA 28 HN ALA 28 2.973 -5.556 -20.796 316 HA ALA 28 HA ALA 28 2.254 -3.932 -22.966 317 HB1 ALA 28 HB1 ALA 28 3.774 -3.122 -20.477 318 HB2 ALA 28 HB2 ALA 28 2.022 -3.230 -20.626 319 HB3 ALA 28 HB3 ALA 28 2.907 -2.035 -21.572 320 H THR 29 HN THR 29 3.401 -2.601 -24.330 321 HA THR 29 HA THR 29 6.354 -2.688 -24.357 322 HB THR 29 HB THR 29 6.342 -2.800 -26.833 323 HG1 THR 29 HG1 THR 29 3.628 -3.600 -26.786 324 HG21 THR 29 HG21 THR 29 5.702 -5.159 -27.148 325 HG22 THR 29 HG22 THR 29 4.817 -5.135 -25.621 326 HG23 THR 29 HG23 THR 29 6.569 -4.942 -25.624 327 H VAL 30 HN VAL 30 6.862 -0.895 -26.393 328 HA VAL 30 HA VAL 30 6.643 1.573 -25.141 329 HB VAL 30 HB VAL 30 7.102 1.068 -28.116 330 HG11 VAL 30 HG11 VAL 30 6.501 3.425 -27.763 331 HG12 VAL 30 HG12 VAL 30 8.209 3.295 -28.174 332 HG13 VAL 30 HG13 VAL 30 7.723 3.579 -26.500 333 HG21 VAL 30 HG21 VAL 30 9.510 1.241 -27.597 334 HG22 VAL 30 HG22 VAL 30 8.759 -0.085 -26.711 335 HG23 VAL 30 HG23 VAL 30 9.133 1.425 -25.880 336 H GLY 31 HN GLY 31 4.629 0.222 -27.718 337 HA2 GLY 31 HA2 GLY 31 2.977 2.462 -28.238 338 HA3 GLY 31 HA1 GLY 31 2.615 0.790 -28.633 339 H ASP 32 HN ASP 32 2.602 -0.304 -26.029 340 HA ASP 32 HA ASP 32 -0.031 0.319 -25.139 341 HB2 ASP 32 HB2 ASP 32 1.114 -1.933 -24.882 342 HB3 ASP 32 HB1 ASP 32 2.085 -1.241 -23.596 343 H VAL 33 HN VAL 33 3.166 1.215 -24.083 344 HA VAL 33 HA VAL 33 2.597 2.541 -21.664 345 HB VAL 33 HB VAL 33 4.852 2.785 -23.702 346 HG11 VAL 33 HG11 VAL 33 4.716 4.186 -21.015 347 HG12 VAL 33 HG12 VAL 33 4.725 4.957 -22.602 348 HG13 VAL 33 HG13 VAL 33 6.148 4.080 -22.041 349 HG21 VAL 33 HG21 VAL 33 4.757 1.556 -20.917 350 HG22 VAL 33 HG22 VAL 33 6.165 1.587 -21.985 351 HG23 VAL 33 HG23 VAL 33 4.733 0.671 -22.445 352 H LEU 34 HN LEU 34 3.009 3.881 -24.984 353 HA LEU 34 HA LEU 34 2.423 6.524 -24.084 354 HB2 LEU 34 HB2 LEU 34 2.534 7.150 -26.543 355 HB3 LEU 34 HB1 LEU 34 3.973 6.504 -25.794 356 HG LEU 34 HG LEU 34 3.302 4.250 -26.912 357 HD11 LEU 34 HD11 LEU 34 2.040 4.408 -28.984 358 HD12 LEU 34 HD12 LEU 34 1.668 6.101 -28.653 359 HD13 LEU 34 HD13 LEU 34 1.033 4.832 -27.598 360 HD21 LEU 34 HD21 LEU 34 4.266 6.576 -28.605 361 HD22 LEU 34 HD22 LEU 34 4.489 4.865 -28.979 362 HD23 LEU 34 HD23 LEU 34 5.266 5.562 -27.559 363 H ARG 35 HN ARG 35 0.352 4.019 -25.548 364 HA ARG 35 HA ARG 35 -1.871 5.731 -26.046 365 HB2 ARG 35 HB2 ARG 35 -3.277 3.721 -26.155 366 HB3 ARG 35 HB1 ARG 35 -1.772 3.472 -27.014 367 HG2 ARG 35 HG2 ARG 35 -1.948 1.440 -25.975 368 HG3 ARG 35 HG1 ARG 35 -1.025 2.308 -24.758 369 HD2 ARG 35 HD2 ARG 35 -3.225 2.785 -23.579 370 HD3 ARG 35 HD1 ARG 35 -3.992 1.681 -24.728 371 HE ARG 35 HE ARG 35 -1.758 0.438 -23.478 372 HH11 ARG 35 HH11 ARG 35 -5.113 1.269 -22.828 373 HH12 ARG 35 HH12 ARG 35 -5.266 0.110 -21.549 374 HH21 ARG 35 HH21 ARG 35 -1.973 -1.042 -21.781 375 HH22 ARG 35 HH22 ARG 35 -3.493 -1.177 -20.944 376 H SER 36 HN SER 36 -0.745 4.065 -23.158 377 HA SER 36 HA SER 36 -2.942 4.823 -21.477 378 HB2 SER 36 HB2 SER 36 -0.170 3.792 -20.766 379 HB3 SER 36 HB1 SER 36 -1.524 3.950 -19.640 380 HG SER 36 HG SER 36 -0.977 1.968 -21.375 381 H LEU 37 HN LEU 37 0.183 6.257 -22.320 382 HA LEU 37 HA LEU 37 0.424 8.101 -20.197 383 HB2 LEU 37 HB2 LEU 37 1.765 7.675 -22.784 384 HB3 LEU 37 HB1 LEU 37 1.670 9.374 -22.392 385 HG LEU 37 HG LEU 37 3.793 8.544 -21.649 386 HD11 LEU 37 HD11 LEU 37 2.750 10.216 -20.189 387 HD12 LEU 37 HD12 LEU 37 3.783 9.116 -19.283 388 HD13 LEU 37 HD13 LEU 37 2.029 8.930 -19.217 389 HD21 LEU 37 HD21 LEU 37 2.289 6.446 -20.090 390 HD22 LEU 37 HD22 LEU 37 4.019 6.752 -19.980 391 HD23 LEU 37 HD23 LEU 37 3.322 6.189 -21.495 392 H GLU 38 HN GLU 38 -1.218 8.416 -23.357 393 HA GLU 38 HA GLU 38 -1.972 11.156 -22.926 394 HB2 GLU 38 HB2 GLU 38 -3.572 10.816 -24.822 395 HB3 GLU 38 HB1 GLU 38 -1.887 10.510 -25.195 396 HG2 GLU 38 HG2 GLU 38 -2.213 8.180 -25.366 397 HG3 GLU 38 HG1 GLU 38 -3.766 8.248 -24.518 398 H ALA 39 HN ALA 39 -3.351 8.118 -22.004 399 HA ALA 39 HA ALA 39 -6.006 8.998 -21.432 400 HB1 ALA 39 HB1 ALA 39 -4.459 6.623 -20.341 401 HB2 ALA 39 HB2 ALA 39 -5.457 6.632 -21.794 402 HB3 ALA 39 HB3 ALA 39 -6.206 6.854 -20.212 403 H GLU 40 HN GLU 40 -2.992 9.340 -19.775 404 HA GLU 40 HA GLU 40 -4.212 10.264 -17.255 405 HB2 GLU 40 HB2 GLU 40 -1.264 10.233 -18.042 406 HB3 GLU 40 HB1 GLU 40 -1.934 10.393 -16.418 407 HG2 GLU 40 HG2 GLU 40 -2.168 7.912 -18.136 408 HG3 GLU 40 HG1 GLU 40 -0.895 8.209 -16.959 409 H TYR 41 HN TYR 41 -1.919 11.357 -19.719 410 HA TYR 41 HA TYR 41 -2.100 14.126 -18.847 411 HB2 TYR 41 HB2 TYR 41 -0.108 12.744 -20.706 412 HB3 TYR 41 HB1 TYR 41 -0.036 14.443 -20.247 413 HD1 TYR 41 HD2 TYR 41 0.486 10.976 -19.082 414 HD2 TYR 41 HD1 TYR 41 0.724 15.093 -17.977 415 HE1 TYR 41 HE2 TYR 41 1.808 10.370 -17.096 416 HE2 TYR 41 HE1 TYR 41 2.041 14.477 -15.994 417 HH TYR 41 HH TYR 41 3.444 11.442 -15.550 418 H ASP 42 HN ASP 42 -3.765 15.144 -19.846 419 HA ASP 42 HA ASP 42 -4.747 14.700 -22.470 420 HB2 ASP 42 HB2 ASP 42 -5.884 16.911 -22.202 421 HB3 ASP 42 HB1 ASP 42 -6.123 15.861 -20.813 422 H GLY 43 HN GLY 43 -2.096 16.608 -21.241 423 HA2 GLY 43 HA2 GLY 43 -1.573 18.223 -23.538 424 HA3 GLY 43 HA1 GLY 43 -0.475 17.898 -22.211 425 H LEU 44 HN LEU 44 -1.179 14.888 -23.094 426 HA LEU 44 HA LEU 44 0.805 14.736 -25.282 427 HB2 LEU 44 HB2 LEU 44 -0.024 12.577 -23.310 428 HB3 LEU 44 HB1 LEU 44 1.114 12.383 -24.637 429 HG LEU 44 HG LEU 44 1.529 14.154 -22.206 430 HD11 LEU 44 HD11 LEU 44 1.706 11.782 -21.650 431 HD12 LEU 44 HD12 LEU 44 3.273 12.580 -21.555 432 HD13 LEU 44 HD13 LEU 44 2.890 11.551 -22.939 433 HD21 LEU 44 HD21 LEU 44 2.607 15.135 -24.174 434 HD22 LEU 44 HD22 LEU 44 3.418 13.605 -24.517 435 HD23 LEU 44 HD23 LEU 44 3.809 14.507 -23.050 436 H ALA 45 HN ALA 45 -2.504 14.678 -24.833 437 HA ALA 45 HA ALA 45 -3.336 12.211 -25.860 438 HB1 ALA 45 HB1 ALA 45 -5.552 13.222 -26.096 439 HB2 ALA 45 HB2 ALA 45 -4.850 14.832 -25.920 440 HB3 ALA 45 HB3 ALA 45 -4.808 13.700 -24.566 441 H GLY 46 HN GLY 46 -3.163 11.359 -27.835 442 HA2 GLY 46 HA2 GLY 46 -3.276 11.091 -30.113 443 HA3 GLY 46 HA1 GLY 46 -3.956 12.702 -30.220 444 H ARG 47 HN ARG 47 -0.990 12.861 -28.657 445 HA ARG 47 HA ARG 47 0.315 13.976 -31.056 446 HB2 ARG 47 HB2 ARG 47 1.424 14.110 -28.240 447 HB3 ARG 47 HB1 ARG 47 1.702 15.198 -29.592 448 HG2 ARG 47 HG2 ARG 47 -0.600 16.061 -29.343 449 HG3 ARG 47 HG1 ARG 47 -0.852 14.973 -27.984 450 HD2 ARG 47 HD2 ARG 47 -0.299 17.012 -26.971 451 HD3 ARG 47 HD1 ARG 47 1.197 16.091 -26.924 452 HE ARG 47 HE ARG 47 1.283 17.585 -29.255 453 HH11 ARG 47 HH11 ARG 47 1.175 18.290 -25.805 454 HH12 ARG 47 HH12 ARG 47 2.027 19.794 -25.972 455 HH21 ARG 47 HH21 ARG 47 2.393 19.547 -29.439 456 HH22 ARG 47 HH22 ARG 47 2.717 20.503 -28.023 457 H LEU 48 HN LEU 48 0.574 11.544 -28.620 458 HA LEU 48 HA LEU 48 3.126 10.512 -29.606 459 HB2 LEU 48 HB2 LEU 48 3.321 9.328 -27.551 460 HB3 LEU 48 HB1 LEU 48 2.858 10.969 -27.181 461 HG LEU 48 HG LEU 48 1.400 8.391 -26.694 462 HD11 LEU 48 HD11 LEU 48 2.669 9.354 -24.883 463 HD12 LEU 48 HD12 LEU 48 0.951 9.416 -24.500 464 HD13 LEU 48 HD13 LEU 48 1.791 10.876 -25.030 465 HD21 LEU 48 HD21 LEU 48 -0.293 9.562 -27.958 466 HD22 LEU 48 HD22 LEU 48 -0.117 10.973 -26.921 467 HD23 LEU 48 HD23 LEU 48 -0.730 9.460 -26.255 468 H ILE 49 HN ILE 49 -0.047 10.101 -30.339 469 HA ILE 49 HA ILE 49 0.462 7.450 -31.544 470 HB ILE 49 HB ILE 49 -2.137 8.319 -30.230 471 HG12 ILE 49 HG12 ILE 49 -0.330 5.899 -29.817 472 HG13 ILE 49 HG11 ILE 49 -0.573 7.240 -28.698 473 HG21 ILE 49 HG21 ILE 49 -3.217 6.260 -31.142 474 HG22 ILE 49 HG22 ILE 49 -1.768 5.923 -32.095 475 HG23 ILE 49 HG23 ILE 49 -2.734 7.360 -32.430 476 HD11 ILE 49 HD11 ILE 49 -2.677 5.240 -29.508 477 HD12 ILE 49 HD12 ILE 49 -2.855 6.533 -28.313 478 HD13 ILE 49 HD13 ILE 49 -1.725 5.209 -28.031 479 H GLU 50 HN GLU 50 0.065 7.425 -33.738 480 HA GLU 50 HA GLU 50 -2.167 8.949 -34.835 481 HB2 GLU 50 HB2 GLU 50 0.215 10.205 -35.115 482 HB3 GLU 50 HB1 GLU 50 0.378 9.105 -36.470 483 HG2 GLU 50 HG2 GLU 50 -1.796 11.193 -36.069 484 HG3 GLU 50 HG1 GLU 50 -0.452 11.277 -37.206 485 H ASP 51 HN ASP 51 -3.267 7.639 -36.189 486 HA ASP 51 HA ASP 51 -3.955 5.865 -37.432 487 HB2 ASP 51 HB2 ASP 51 -2.429 7.168 -39.020 488 HB3 ASP 51 HB1 ASP 51 -1.168 5.987 -38.670 489 H GLY 52 HN GLY 52 -2.767 5.205 -34.890 490 HA2 GLY 52 HA2 GLY 52 -2.581 3.270 -33.681 491 HA3 GLY 52 HA1 GLY 52 -2.574 2.341 -35.176 492 H GLU 53 HN GLU 53 -0.152 4.350 -35.857 493 HA GLU 53 HA GLU 53 1.947 2.834 -34.453 494 HB2 GLU 53 HB2 GLU 53 3.553 3.946 -35.946 495 HB3 GLU 53 HB1 GLU 53 2.308 3.115 -36.872 496 HG2 GLU 53 HG2 GLU 53 1.311 5.108 -37.578 497 HG3 GLU 53 HG1 GLU 53 2.027 6.063 -36.288 498 H VAL 54 HN VAL 54 3.954 4.609 -34.113 499 HA VAL 54 HA VAL 54 3.177 5.960 -31.769 500 HB VAL 54 HB VAL 54 5.527 6.880 -31.723 501 HG11 VAL 54 HG11 VAL 54 6.651 4.684 -31.434 502 HG12 VAL 54 HG12 VAL 54 5.315 3.892 -32.274 503 HG13 VAL 54 HG13 VAL 54 5.034 4.683 -30.726 504 HG21 VAL 54 HG21 VAL 54 7.173 6.101 -33.409 505 HG22 VAL 54 HG22 VAL 54 5.951 7.154 -34.126 506 HG23 VAL 54 HG23 VAL 54 5.859 5.408 -34.364 507 H LYS 55 HN LYS 55 4.203 7.398 -34.964 508 HA LYS 55 HA LYS 55 2.452 9.297 -35.502 509 HB2 LYS 55 HB2 LYS 55 2.370 10.354 -33.362 510 HB3 LYS 55 HB1 LYS 55 4.102 10.396 -33.194 511 HG2 LYS 55 HG2 LYS 55 3.597 12.631 -33.564 512 HG3 LYS 55 HG1 LYS 55 3.989 12.103 -35.195 513 HD2 LYS 55 HD2 LYS 55 2.003 13.478 -35.284 514 HD3 LYS 55 HD1 LYS 55 1.546 11.816 -35.654 515 HE2 LYS 55 HE2 LYS 55 0.748 11.528 -33.320 516 HE3 LYS 55 HE1 LYS 55 1.188 13.203 -32.975 517 HZ1 LYS 55 HZ1 LYS 55 -0.839 12.305 -34.946 518 HZ2 LYS 55 HZ2 LYS 55 -0.423 13.911 -34.639 519 HZ3 LYS 55 HZ3 LYS 55 -1.155 12.984 -33.434 520 HA PRO 56 HA PRO 56 5.734 10.293 -38.574 521 HB2 PRO 56 HB2 PRO 56 4.366 12.580 -39.508 522 HB3 PRO 56 HB1 PRO 56 4.173 10.942 -40.144 523 HG2 PRO 56 HG2 PRO 56 2.509 12.392 -38.087 524 HG3 PRO 56 HG1 PRO 56 1.977 11.375 -39.437 525 HD2 PRO 56 HD2 PRO 56 1.986 10.402 -36.989 526 HD3 PRO 56 HD1 PRO 56 2.562 9.381 -38.324 527 H HIS 57 HN HIS 57 7.538 11.326 -38.037 528 HA HIS 57 HA HIS 57 9.051 12.919 -37.606 529 HB2 HIS 57 HB2 HIS 57 6.683 14.792 -37.290 530 HB3 HIS 57 HB1 HIS 57 8.359 15.318 -37.159 531 HD1 HIS 57 HD1 HIS 57 9.099 16.402 -39.262 532 HD2 HIS 57 HD2 HIS 57 6.421 13.307 -40.025 533 HE1 HIS 57 HE1 HIS 57 8.834 16.343 -41.757 534 HE2 HIS 57 HE2 HIS 57 7.252 14.442 -42.202 535 H VAL 58 HN VAL 58 6.899 11.803 -35.262 536 HA VAL 58 HA VAL 58 8.123 13.073 -32.975 537 HB VAL 58 HB VAL 58 5.771 11.768 -33.123 538 HG11 VAL 58 HG11 VAL 58 6.697 9.553 -33.687 539 HG12 VAL 58 HG12 VAL 58 5.786 9.514 -32.178 540 HG13 VAL 58 HG13 VAL 58 7.553 9.512 -32.145 541 HG21 VAL 58 HG21 VAL 58 6.538 13.023 -31.157 542 HG22 VAL 58 HG22 VAL 58 7.491 11.640 -30.621 543 HG23 VAL 58 HG23 VAL 58 5.728 11.531 -30.671 544 H ASN 59 HN ASN 59 9.854 12.284 -31.738 545 HA ASN 59 HA ASN 59 11.351 9.982 -32.883 546 HB2 ASN 59 HB2 ASN 59 12.411 12.359 -31.272 547 HB3 ASN 59 HB1 ASN 59 13.380 11.034 -31.910 548 HD21 ASN 59 HD21 ASN 59 13.693 10.895 -34.179 549 HD22 ASN 59 HD22 ASN 59 13.483 12.272 -35.199 550 H VAL 60 HN VAL 60 10.672 8.291 -31.718 551 HA VAL 60 HA VAL 60 10.782 8.439 -28.768 552 HB VAL 60 HB VAL 60 9.358 6.319 -28.827 553 HG11 VAL 60 HG11 VAL 60 8.443 8.528 -28.162 554 HG12 VAL 60 HG12 VAL 60 7.229 7.571 -29.013 555 HG13 VAL 60 HG13 VAL 60 8.060 8.886 -29.852 556 HG21 VAL 60 HG21 VAL 60 8.799 7.194 -31.694 557 HG22 VAL 60 HG22 VAL 60 7.943 5.930 -30.811 558 HG23 VAL 60 HG23 VAL 60 9.646 5.722 -31.208 559 H LEU 61 HN LEU 61 11.953 6.968 -27.699 560 HA LEU 61 HA LEU 61 13.936 5.399 -29.206 561 HB2 LEU 61 HB2 LEU 61 14.464 7.359 -26.948 562 HB3 LEU 61 HB1 LEU 61 15.656 6.224 -27.531 563 HG LEU 61 HG LEU 61 15.467 7.433 -29.775 564 HD11 LEU 61 HD11 LEU 61 13.423 8.596 -29.579 565 HD12 LEU 61 HD12 LEU 61 14.718 9.772 -29.748 566 HD13 LEU 61 HD13 LEU 61 13.994 9.478 -28.165 567 HD21 LEU 61 HD21 LEU 61 16.989 9.261 -29.132 568 HD22 LEU 61 HD22 LEU 61 17.412 7.748 -28.337 569 HD23 LEU 61 HD23 LEU 61 16.564 9.005 -27.434 570 H LYS 62 HN LYS 62 14.617 3.553 -28.203 571 HA LYS 62 HA LYS 62 13.810 2.963 -25.425 572 HB2 LYS 62 HB2 LYS 62 12.959 1.217 -26.791 573 HB3 LYS 62 HB1 LYS 62 14.369 1.211 -27.837 574 HG2 LYS 62 HG2 LYS 62 14.266 -0.805 -26.483 575 HG3 LYS 62 HG1 LYS 62 15.707 0.138 -26.108 576 HD2 LYS 62 HD2 LYS 62 14.468 1.056 -24.103 577 HD3 LYS 62 HD1 LYS 62 13.178 -0.099 -24.455 578 HE2 LYS 62 HE2 LYS 62 16.065 -0.778 -23.818 579 HE3 LYS 62 HE1 LYS 62 14.685 -0.955 -22.747 580 HZ1 LYS 62 HZ1 LYS 62 15.433 -3.032 -23.865 581 HZ2 LYS 62 HZ2 LYS 62 14.905 -2.385 -25.330 582 HZ3 LYS 62 HZ3 LYS 62 13.798 -2.674 -24.078 583 H ASN 63 HN ASN 63 15.445 3.806 -24.232 584 HA ASN 63 HA ASN 63 17.451 4.030 -23.197 585 HB2 ASN 63 HB2 ASN 63 17.173 1.471 -23.268 586 HB3 ASN 63 HB1 ASN 63 18.268 1.457 -24.641 587 HD21 ASN 63 HD21 ASN 63 17.989 1.933 -21.181 588 HD22 ASN 63 HD22 ASN 63 19.680 1.898 -20.836 589 H GLY 64 HN GLY 64 17.103 5.432 -25.636 590 HA2 GLY 64 HA2 GLY 64 18.462 6.979 -26.732 591 HA3 GLY 64 HA1 GLY 64 19.873 5.991 -26.407 592 H ARG 65 HN ARG 65 18.002 3.687 -27.556 593 HA ARG 65 HA ARG 65 18.831 3.992 -30.352 594 HB2 ARG 65 HB2 ARG 65 19.262 1.838 -29.133 595 HB3 ARG 65 HB1 ARG 65 17.527 1.606 -28.957 596 HG2 ARG 65 HG2 ARG 65 17.317 1.506 -31.443 597 HG3 ARG 65 HG1 ARG 65 19.067 1.692 -31.577 598 HD2 ARG 65 HD2 ARG 65 19.292 -0.432 -30.203 599 HD3 ARG 65 HD1 ARG 65 17.546 -0.638 -30.361 600 HE ARG 65 HE ARG 65 18.113 -0.512 -32.902 601 HH11 ARG 65 HH11 ARG 65 20.137 -2.056 -30.477 602 HH12 ARG 65 HH12 ARG 65 20.759 -3.239 -31.579 603 HH21 ARG 65 HH21 ARG 65 18.975 -2.070 -34.345 604 HH22 ARG 65 HH22 ARG 65 20.101 -3.256 -33.755 605 H GLU 66 HN GLU 66 17.468 5.197 -31.491 606 HA GLU 66 HA GLU 66 14.827 5.806 -30.706 607 HB2 GLU 66 HB2 GLU 66 16.601 7.165 -32.060 608 HB3 GLU 66 HB1 GLU 66 15.937 6.356 -33.468 609 HG2 GLU 66 HG2 GLU 66 13.729 7.350 -33.010 610 HG3 GLU 66 HG1 GLU 66 14.364 8.088 -31.549 611 H VAL 67 HN VAL 67 13.194 4.391 -30.806 612 HA VAL 67 HA VAL 67 13.221 2.077 -32.461 613 HB VAL 67 HB VAL 67 11.042 1.466 -31.453 614 HG11 VAL 67 HG11 VAL 67 13.100 0.797 -30.310 615 HG12 VAL 67 HG12 VAL 67 11.855 1.180 -29.119 616 HG13 VAL 67 HG13 VAL 67 13.159 2.330 -29.438 617 HG21 VAL 67 HG21 VAL 67 11.261 4.106 -29.940 618 HG22 VAL 67 HG22 VAL 67 10.060 2.843 -29.651 619 HG23 VAL 67 HG23 VAL 67 10.064 3.719 -31.179 620 H VAL 68 HN VAL 68 12.312 5.164 -33.349 621 HA VAL 68 HA VAL 68 10.173 4.539 -35.147 622 HB VAL 68 HB VAL 68 10.537 6.679 -36.211 623 HG11 VAL 68 HG11 VAL 68 11.014 6.951 -33.221 624 HG12 VAL 68 HG12 VAL 68 9.451 6.770 -34.020 625 HG13 VAL 68 HG13 VAL 68 10.411 8.224 -34.287 626 HG21 VAL 68 HG21 VAL 68 12.974 6.654 -36.498 627 HG22 VAL 68 HG22 VAL 68 13.211 6.847 -34.761 628 HG23 VAL 68 HG23 VAL 68 12.480 8.149 -35.702 629 H HIS 69 HN HIS 69 13.494 3.731 -35.227 630 HA HIS 69 HA HIS 69 13.641 3.403 -38.149 631 HB2 HIS 69 HB2 HIS 69 15.735 2.801 -36.006 632 HB3 HIS 69 HB1 HIS 69 16.002 2.759 -37.751 633 HD1 HIS 69 HD1 HIS 69 15.817 5.160 -38.989 634 HD2 HIS 69 HD2 HIS 69 16.096 5.260 -34.850 635 HE1 HIS 69 HE1 HIS 69 16.464 7.515 -38.415 636 HE2 HIS 69 HE2 HIS 69 16.410 7.599 -35.898 637 H LEU 70 HN LEU 70 12.951 1.585 -35.301 638 HA LEU 70 HA LEU 70 12.708 -0.927 -36.842 639 HB2 LEU 70 HB2 LEU 70 13.179 -2.183 -34.717 640 HB3 LEU 70 HB1 LEU 70 14.565 -1.330 -35.353 641 HG LEU 70 HG LEU 70 12.928 -0.091 -33.108 642 HD11 LEU 70 HD11 LEU 70 14.397 -1.134 -31.445 643 HD12 LEU 70 HD12 LEU 70 15.207 -2.062 -32.712 644 HD13 LEU 70 HD13 LEU 70 13.508 -2.365 -32.343 645 HD21 LEU 70 HD21 LEU 70 14.615 1.331 -34.238 646 HD22 LEU 70 HD22 LEU 70 15.873 0.156 -33.839 647 HD23 LEU 70 HD23 LEU 70 15.034 1.028 -32.554 648 H ASP 71 HN ASP 71 11.384 -2.279 -34.597 649 HA ASP 71 HA ASP 71 8.697 -1.554 -34.866 650 HB2 ASP 71 HB2 ASP 71 10.158 -3.095 -32.695 651 HB3 ASP 71 HB1 ASP 71 8.410 -2.911 -32.707 652 H GLY 72 HN GLY 72 7.911 0.421 -34.321 653 HA2 GLY 72 HA2 GLY 72 8.921 1.995 -32.104 654 HA3 GLY 72 HA1 GLY 72 7.606 2.428 -33.181 655 H MET 73 HN MET 73 5.907 0.270 -32.853 656 HA MET 73 HA MET 73 4.625 1.059 -30.375 657 HB2 MET 73 HB2 MET 73 3.666 -0.834 -32.557 658 HB3 MET 73 HB1 MET 73 2.685 -0.245 -31.216 659 HG2 MET 73 HG2 MET 73 3.862 1.414 -33.461 660 HG3 MET 73 HG1 MET 73 2.163 1.013 -33.210 661 HE1 MET 73 HE1 MET 73 1.077 3.335 -30.313 662 HE2 MET 73 HE2 MET 73 1.328 1.591 -30.324 663 HE3 MET 73 HE3 MET 73 0.543 2.378 -31.695 664 H ALA 74 HN ALA 74 6.574 -1.650 -31.358 665 HA ALA 74 HA ALA 74 6.396 -2.852 -28.736 666 HB1 ALA 74 HB1 ALA 74 4.348 -3.798 -29.767 667 HB2 ALA 74 HB2 ALA 74 5.542 -5.051 -29.429 668 HB3 ALA 74 HB3 ALA 74 5.321 -4.465 -31.080 669 H THR 75 HN THR 75 8.663 -2.244 -28.955 670 HA THR 75 HA THR 75 10.307 -3.597 -30.874 671 HB THR 75 HB THR 75 11.122 -1.450 -30.331 672 HG1 THR 75 HG1 THR 75 12.745 -3.097 -30.478 673 HG21 THR 75 HG21 THR 75 11.732 -0.661 -28.094 674 HG22 THR 75 HG22 THR 75 11.217 -2.185 -27.379 675 HG23 THR 75 HG23 THR 75 10.027 -1.116 -28.123 676 H ALA 76 HN ALA 76 10.513 -3.816 -27.240 677 HA ALA 76 HA ALA 76 10.953 -6.572 -27.093 678 HB1 ALA 76 HB1 ALA 76 13.569 -5.029 -27.354 679 HB2 ALA 76 HB2 ALA 76 12.913 -6.140 -28.554 680 HB3 ALA 76 HB3 ALA 76 13.410 -6.743 -26.971 681 H LEU 77 HN LEU 77 9.685 -4.616 -25.469 682 HA LEU 77 HA LEU 77 11.448 -3.678 -23.408 683 HB2 LEU 77 HB2 LEU 77 8.419 -3.621 -23.536 684 HB3 LEU 77 HB1 LEU 77 9.366 -2.899 -22.244 685 HG LEU 77 HG LEU 77 9.134 -1.995 -25.127 686 HD11 LEU 77 HD11 LEU 77 8.536 0.148 -24.107 687 HD12 LEU 77 HD12 LEU 77 8.790 -0.527 -22.496 688 HD13 LEU 77 HD13 LEU 77 7.488 -1.140 -23.515 689 HD21 LEU 77 HD21 LEU 77 11.530 -1.964 -24.691 690 HD22 LEU 77 HD22 LEU 77 11.279 -1.116 -23.165 691 HD23 LEU 77 HD23 LEU 77 10.905 -0.317 -24.695 692 H ASP 78 HN ASP 78 11.437 -4.145 -21.255 693 HA ASP 78 HA ASP 78 10.154 -6.454 -20.076 694 HB2 ASP 78 HB2 ASP 78 12.266 -7.260 -21.362 695 HB3 ASP 78 HB1 ASP 78 13.209 -6.342 -20.203 696 H ASP 79 HN ASP 79 11.320 -6.581 -17.679 697 HA ASP 79 HA ASP 79 10.632 -4.157 -16.399 698 HB2 ASP 79 HB2 ASP 79 10.419 -6.374 -15.330 699 HB3 ASP 79 HB1 ASP 79 12.163 -6.585 -15.354 700 H GLY 80 HN GLY 80 11.759 -2.404 -15.883 701 HA2 GLY 80 HA2 GLY 80 13.543 -1.052 -15.247 702 HA3 GLY 80 HA1 GLY 80 14.653 -2.381 -15.525 703 H ASP 81 HN ASP 81 12.635 -1.945 -18.205 704 HA ASP 81 HA ASP 81 14.841 -0.991 -19.835 705 HB2 ASP 81 HB2 ASP 81 12.039 -1.998 -20.444 706 HB3 ASP 81 HB1 ASP 81 13.039 -1.288 -21.699 707 H ALA 82 HN ALA 82 15.216 1.075 -20.362 708 HA ALA 82 HA ALA 82 13.366 3.184 -19.608 709 HB1 ALA 82 HB1 ALA 82 15.205 4.728 -20.168 710 HB2 ALA 82 HB2 ALA 82 16.158 3.377 -20.794 711 HB3 ALA 82 HB3 ALA 82 15.742 3.446 -19.079 712 H VAL 83 HN VAL 83 11.939 4.121 -20.969 713 HA VAL 83 HA VAL 83 12.408 4.086 -23.901 714 HB VAL 83 HB VAL 83 9.724 4.356 -22.460 715 HG11 VAL 83 HG11 VAL 83 10.330 4.035 -25.427 716 HG12 VAL 83 HG12 VAL 83 9.725 5.492 -24.638 717 HG13 VAL 83 HG13 VAL 83 8.718 4.045 -24.706 718 HG21 VAL 83 HG21 VAL 83 9.240 2.060 -23.248 719 HG22 VAL 83 HG22 VAL 83 10.626 2.089 -22.156 720 HG23 VAL 83 HG23 VAL 83 10.878 1.931 -23.895 721 H SER 84 HN SER 84 13.316 5.997 -24.385 722 HA SER 84 HA SER 84 12.555 8.518 -23.133 723 HB2 SER 84 HB2 SER 84 14.511 7.880 -25.375 724 HB3 SER 84 HB1 SER 84 14.316 9.463 -24.639 725 HG SER 84 HG SER 84 15.925 8.609 -23.491 726 H VAL 85 HN VAL 85 11.589 10.304 -24.325 727 HA VAL 85 HA VAL 85 10.574 9.781 -27.029 728 HB VAL 85 HB VAL 85 8.307 10.542 -26.610 729 HG11 VAL 85 HG11 VAL 85 8.632 8.126 -26.268 730 HG12 VAL 85 HG12 VAL 85 7.358 8.741 -25.215 731 HG13 VAL 85 HG13 VAL 85 8.958 8.397 -24.553 732 HG21 VAL 85 HG21 VAL 85 8.709 12.193 -24.852 733 HG22 VAL 85 HG22 VAL 85 9.069 10.912 -23.693 734 HG23 VAL 85 HG23 VAL 85 7.439 11.075 -24.349 735 H PHE 86 HN PHE 86 10.298 11.585 -28.247 736 HA PHE 86 HA PHE 86 10.766 14.292 -27.163 737 HB2 PHE 86 HB2 PHE 86 11.984 13.208 -29.773 738 HB3 PHE 86 HB1 PHE 86 12.081 14.870 -29.214 739 HD1 PHE 86 HD2 PHE 86 13.098 11.385 -28.341 740 HD2 PHE 86 HD1 PHE 86 13.969 15.550 -27.893 741 HE1 PHE 86 HE2 PHE 86 15.240 10.832 -27.279 742 HE2 PHE 86 HE1 PHE 86 16.125 14.972 -26.838 743 HZ PHE 86 HZ PHE 86 16.755 12.596 -26.547 744 HA PRO 87 HA PRO 87 6.838 14.774 -29.417 745 HB2 PRO 87 HB2 PRO 87 6.926 17.554 -29.773 746 HB3 PRO 87 HB1 PRO 87 6.438 16.757 -28.271 747 HG2 PRO 87 HG2 PRO 87 9.138 17.837 -29.049 748 HG3 PRO 87 HG1 PRO 87 8.237 18.061 -27.532 749 HD2 PRO 87 HD2 PRO 87 10.194 16.271 -27.624 750 HD3 PRO 87 HD1 PRO 87 8.673 15.863 -26.796 751 HA PRO 88 HA PRO 88 7.559 14.831 -33.779 752 HB2 PRO 88 HB2 PRO 88 5.157 16.512 -34.311 753 HB3 PRO 88 HB1 PRO 88 5.461 14.824 -34.732 754 HG2 PRO 88 HG2 PRO 88 3.691 15.532 -32.808 755 HG3 PRO 88 HG1 PRO 88 4.622 14.020 -32.752 756 HD2 PRO 88 HD2 PRO 88 5.105 16.598 -31.253 757 HD3 PRO 88 HD1 PRO 88 5.251 14.913 -30.706 758 H VAL 89 HN VAL 89 8.872 15.989 -35.063 759 HA VAL 89 HA VAL 89 9.194 18.891 -34.559 760 HB VAL 89 HB VAL 89 11.579 18.611 -35.264 761 HG11 VAL 89 HG11 VAL 89 10.986 18.517 -32.873 762 HG12 VAL 89 HG12 VAL 89 12.362 17.470 -33.209 763 HG13 VAL 89 HG13 VAL 89 10.756 16.771 -32.978 764 HG21 VAL 89 HG21 VAL 89 11.404 16.623 -36.719 765 HG22 VAL 89 HG22 VAL 89 10.976 15.616 -35.338 766 HG23 VAL 89 HG23 VAL 89 12.588 16.329 -35.445 767 H ALA 90 HN ALA 90 8.694 20.221 -36.165 768 HA ALA 90 HA ALA 90 8.791 19.365 -38.983 769 HB1 ALA 90 HB1 ALA 90 6.547 20.321 -39.399 770 HB2 ALA 90 HB2 ALA 90 6.372 20.675 -37.679 771 HB3 ALA 90 HB3 ALA 90 6.466 19.002 -38.226 772 H GLY 91 HN GLY 91 9.199 21.016 -40.430 773 HA2 GLY 91 HA2 GLY 91 9.090 23.728 -40.233 774 HA3 GLY 91 HA1 GLY 91 10.596 23.328 -39.406 775 H GLY 92 HN GLY 92 11.465 21.176 -40.883 776 HA2 GLY 92 HA2 GLY 92 11.514 21.768 -43.731 777 HA3 GLY 92 HA1 GLY 92 13.033 22.069 -42.888 Start of MODEL 13 1 H1 GLY -13 HT1 GLY -13 -5.751 0.157 -4.241 2 H2 GLY -13 HT2 GLY -13 -7.000 -0.624 -3.409 3 H3 GLY -13 HT3 GLY -13 -6.741 -0.955 -5.052 4 HA2 GLY -13 HA1 GLY -13 -4.852 -1.567 -2.849 5 HA3 GLY -13 HA2 GLY -13 -5.924 -2.734 -3.605 6 H GLY -12 HN GLY -12 -5.571 -3.279 -5.863 7 HA2 GLY -12 HA2 GLY -12 -2.679 -3.484 -6.399 8 HA3 GLY -12 HA1 GLY -12 -3.939 -4.538 -7.011 9 H GLY -11 HN GLY -11 -2.648 -1.240 -7.280 10 HA2 GLY -11 HA2 GLY -11 -3.820 -0.788 -9.920 11 HA3 GLY -11 HA1 GLY -11 -2.823 0.322 -8.991 12 H ARG -10 HN ARG -10 -0.619 -1.370 -8.507 13 HA ARG -10 HA ARG -10 0.853 -0.943 -10.962 14 HB2 ARG -10 HB2 ARG -10 1.740 -2.084 -8.281 15 HB3 ARG -10 HB1 ARG -10 2.826 -1.654 -9.601 16 HG2 ARG -10 HG2 ARG -10 1.004 0.295 -8.153 17 HG3 ARG -10 HG1 ARG -10 2.712 0.056 -7.786 18 HD2 ARG -10 HD2 ARG -10 3.359 0.908 -9.964 19 HD3 ARG -10 HD1 ARG -10 1.674 0.960 -10.499 20 HE ARG -10 HE ARG -10 1.814 2.550 -8.236 21 HH11 ARG -10 HH11 ARG -10 3.319 2.640 -11.425 22 HH12 ARG -10 HH12 ARG -10 3.360 4.368 -11.464 23 HH21 ARG -10 HH21 ARG -10 1.867 4.788 -8.330 24 HH22 ARG -10 HH22 ARG -10 2.528 5.586 -9.718 25 H ASP -9 HN ASP -9 -0.494 -3.723 -9.274 26 HA ASP -9 HA ASP -9 0.799 -5.708 -10.973 27 HB2 ASP -9 HB2 ASP -9 -1.564 -6.073 -9.065 28 HB3 ASP -9 HB1 ASP -9 -0.639 -7.372 -9.816 29 H TYR -8 HN TYR -8 -2.153 -3.889 -10.846 30 HA TYR -8 HA TYR -8 -3.877 -3.491 -12.217 31 HB2 TYR -8 HB2 TYR -8 -2.279 -5.058 -14.279 32 HB3 TYR -8 HB1 TYR -8 -3.793 -4.231 -14.639 33 HD1 TYR -8 HD1 TYR -8 -3.898 -1.755 -14.683 34 HD2 TYR -8 HD2 TYR -8 -0.213 -3.780 -13.875 35 HE1 TYR -8 HE1 TYR -8 -2.678 0.346 -15.045 36 HE2 TYR -8 HE2 TYR -8 1.008 -1.671 -14.257 37 HH TYR -8 HH TYR -8 0.705 0.485 -15.403 38 H LYS -7 HN LYS -7 -2.999 -6.836 -13.066 39 HA LYS -7 HA LYS -7 -5.736 -7.745 -12.451 40 HB2 LYS -7 HB2 LYS -7 -4.956 -9.823 -13.800 41 HB3 LYS -7 HB1 LYS -7 -5.274 -8.343 -14.683 42 HG2 LYS -7 HG2 LYS -7 -3.300 -9.323 -15.614 43 HG3 LYS -7 HG1 LYS -7 -2.818 -7.878 -14.724 44 HD2 LYS -7 HD2 LYS -7 -2.075 -9.328 -12.831 45 HD3 LYS -7 HD1 LYS -7 -2.513 -10.755 -13.776 46 HE2 LYS -7 HE2 LYS -7 -0.088 -10.296 -13.894 47 HE3 LYS -7 HE1 LYS -7 -0.847 -10.150 -15.481 48 HZ1 LYS -7 HZ1 LYS -7 -0.869 -7.755 -15.215 49 HZ2 LYS -7 HZ2 LYS -7 0.700 -8.354 -15.076 50 HZ3 LYS -7 HZ3 LYS -7 -0.149 -7.883 -13.689 51 H ASP -6 HN ASP -6 -5.806 -10.081 -11.671 52 HA ASP -6 HA ASP -6 -3.690 -10.698 -9.680 53 HB2 ASP -6 HB2 ASP -6 -5.722 -10.002 -8.483 54 HB3 ASP -6 HB1 ASP -6 -6.710 -11.104 -9.435 55 H ASP -5 HN ASP -5 -2.547 -12.222 -10.753 56 HA ASP -5 HA ASP -5 -3.668 -14.864 -11.098 57 HB2 ASP -5 HB2 ASP -5 -4.242 -13.956 -13.307 58 HB3 ASP -5 HB1 ASP -5 -2.611 -13.321 -13.521 59 H ASP -4 HN ASP -4 -0.918 -13.003 -12.361 60 HA ASP -4 HA ASP -4 1.072 -14.704 -11.074 61 HB2 ASP -4 HB2 ASP -4 1.337 -13.649 -13.412 62 HB3 ASP -4 HB1 ASP -4 1.486 -12.089 -12.617 63 H ASP -3 HN ASP -3 2.780 -13.560 -9.673 64 HA ASP -3 HA ASP -3 1.661 -12.073 -7.538 65 HB2 ASP -3 HB2 ASP -3 4.548 -12.657 -8.292 66 HB3 ASP -3 HB1 ASP -3 4.151 -11.657 -6.901 67 H LYS -2 HN LYS -2 2.968 -11.075 -10.563 68 HA LYS -2 HA LYS -2 2.063 -8.352 -10.130 69 HB2 LYS -2 HB2 LYS -2 4.243 -7.381 -11.039 70 HB3 LYS -2 HB1 LYS -2 4.283 -7.946 -9.380 71 HG2 LYS -2 HG2 LYS -2 5.456 -9.999 -10.099 72 HG3 LYS -2 HG1 LYS -2 5.425 -9.431 -11.771 73 HD2 LYS -2 HD2 LYS -2 7.620 -9.017 -10.666 74 HD3 LYS -2 HD1 LYS -2 6.847 -7.521 -11.196 75 HE2 LYS -2 HE2 LYS -2 6.146 -7.022 -8.915 76 HE3 LYS -2 HE1 LYS -2 6.730 -8.587 -8.348 77 HZ1 LYS -2 HZ1 LYS -2 8.261 -6.829 -7.799 78 HZ2 LYS -2 HZ2 LYS -2 8.426 -6.401 -9.427 79 HZ3 LYS -2 HZ3 LYS -2 8.976 -7.905 -8.886 80 H GLY -1 HN GLY -1 3.922 -10.400 -12.460 81 HA2 GLY -1 HA2 GLY -1 3.844 -10.556 -14.745 82 HA3 GLY -1 HA1 GLY -1 2.111 -10.322 -14.591 83 H THR 0 HN THR 0 4.587 -8.043 -13.635 84 HA THR 0 HA THR 0 3.857 -6.096 -15.705 85 HB THR 0 HB THR 0 3.560 -4.337 -13.871 86 HG1 THR 0 HG1 THR 0 4.412 -6.099 -12.280 87 HG21 THR 0 HG21 THR 0 1.577 -5.197 -15.057 88 HG22 THR 0 HG22 THR 0 1.210 -4.903 -13.355 89 HG23 THR 0 HG23 THR 0 1.474 -6.551 -13.927 90 H MET 1 HN MET 1 5.442 -4.650 -16.128 91 HA MET 1 HA MET 1 8.066 -4.996 -14.816 92 HB2 MET 1 HB2 MET 1 9.040 -4.436 -17.036 93 HB3 MET 1 HB1 MET 1 8.067 -5.895 -17.067 94 HG2 MET 1 HG2 MET 1 6.249 -4.684 -18.155 95 HG3 MET 1 HG1 MET 1 7.184 -3.184 -18.074 96 HE1 MET 1 HE1 MET 1 7.067 -2.702 -20.632 97 HE2 MET 1 HE2 MET 1 6.029 -4.109 -20.863 98 HE3 MET 1 HE3 MET 1 7.446 -3.878 -21.890 99 H GLU 2 HN GLU 2 9.028 -3.257 -13.975 100 HA GLU 2 HA GLU 2 7.762 -0.633 -14.078 101 HB2 GLU 2 HB2 GLU 2 8.727 -1.536 -11.939 102 HB3 GLU 2 HB1 GLU 2 10.326 -1.479 -12.660 103 HG2 GLU 2 HG2 GLU 2 10.053 1.005 -12.935 104 HG3 GLU 2 HG1 GLU 2 8.523 0.891 -12.065 105 H LEU 3 HN LEU 3 8.451 1.060 -15.309 106 HA LEU 3 HA LEU 3 10.888 0.739 -16.977 107 HB2 LEU 3 HB2 LEU 3 8.269 1.925 -17.964 108 HB3 LEU 3 HB1 LEU 3 9.691 1.501 -18.912 109 HG LEU 3 HG LEU 3 7.821 -0.482 -17.556 110 HD11 LEU 3 HD11 LEU 3 6.713 0.622 -19.391 111 HD12 LEU 3 HD12 LEU 3 7.099 -1.032 -19.847 112 HD13 LEU 3 HD13 LEU 3 8.073 0.303 -20.469 113 HD21 LEU 3 HD21 LEU 3 10.052 -1.406 -17.654 114 HD22 LEU 3 HD22 LEU 3 10.227 -0.953 -19.348 115 HD23 LEU 3 HD23 LEU 3 9.063 -2.195 -18.880 116 H GLU 4 HN GLU 4 12.136 2.590 -17.160 117 HA GLU 4 HA GLU 4 11.263 5.006 -15.755 118 HB2 GLU 4 HB2 GLU 4 13.565 4.188 -15.350 119 HB3 GLU 4 HB1 GLU 4 13.936 4.353 -17.061 120 HG2 GLU 4 HG2 GLU 4 13.624 6.787 -16.909 121 HG3 GLU 4 HG1 GLU 4 13.187 6.628 -15.204 122 H LEU 5 HN LEU 5 9.881 6.212 -16.980 123 HA LEU 5 HA LEU 5 10.278 6.407 -19.879 124 HB2 LEU 5 HB2 LEU 5 7.974 7.498 -18.252 125 HB3 LEU 5 HB1 LEU 5 8.046 7.294 -19.999 126 HG LEU 5 HG LEU 5 7.900 5.098 -17.896 127 HD11 LEU 5 HD11 LEU 5 5.943 5.932 -20.043 128 HD12 LEU 5 HD12 LEU 5 5.804 6.246 -18.309 129 HD13 LEU 5 HD13 LEU 5 5.745 4.592 -18.910 130 HD21 LEU 5 HD21 LEU 5 9.363 4.320 -19.699 131 HD22 LEU 5 HD22 LEU 5 8.152 4.753 -20.910 132 HD23 LEU 5 HD23 LEU 5 7.819 3.470 -19.741 133 H ARG 6 HN ARG 6 11.616 7.899 -20.461 134 HA ARG 6 HA ARG 6 12.007 10.364 -18.937 135 HB2 ARG 6 HB2 ARG 6 13.646 9.061 -21.154 136 HB3 ARG 6 HB1 ARG 6 14.084 10.540 -20.296 137 HG2 ARG 6 HG2 ARG 6 14.241 9.289 -18.185 138 HG3 ARG 6 HG1 ARG 6 13.752 7.805 -19.009 139 HD2 ARG 6 HD2 ARG 6 15.783 7.707 -20.237 140 HD3 ARG 6 HD1 ARG 6 16.221 9.367 -19.815 141 HE ARG 6 HE ARG 6 16.137 7.125 -17.877 142 HH11 ARG 6 HH11 ARG 6 17.695 10.033 -19.068 143 HH12 ARG 6 HH12 ARG 6 18.810 10.119 -17.748 144 HH21 ARG 6 HH21 ARG 6 17.549 7.260 -16.137 145 HH22 ARG 6 HH22 ARG 6 18.751 8.514 -16.090 146 H PHE 7 HN PHE 7 11.054 12.151 -19.617 147 HA PHE 7 HA PHE 7 10.036 12.433 -22.387 148 HB2 PHE 7 HB2 PHE 7 9.137 13.814 -19.810 149 HB3 PHE 7 HB1 PHE 7 8.448 14.089 -21.410 150 HD1 PHE 7 HD2 PHE 7 8.749 11.675 -18.639 151 HD2 PHE 7 HD1 PHE 7 6.943 12.470 -22.430 152 HE1 PHE 7 HE2 PHE 7 7.221 9.792 -18.321 153 HE2 PHE 7 HE1 PHE 7 5.404 10.584 -22.081 154 HZ PHE 7 HZ PHE 7 5.552 9.238 -20.029 155 H PHE 8 HN PHE 8 10.764 14.072 -23.618 156 HA PHE 8 HA PHE 8 12.482 16.156 -22.396 157 HB2 PHE 8 HB2 PHE 8 13.063 14.705 -25.022 158 HB3 PHE 8 HB1 PHE 8 14.036 15.990 -24.305 159 HD1 PHE 8 HD1 PHE 8 15.298 15.559 -22.165 160 HD2 PHE 8 HD2 PHE 8 13.281 12.426 -24.255 161 HE1 PHE 8 HE1 PHE 8 16.521 13.880 -20.840 162 HE2 PHE 8 HE2 PHE 8 14.503 10.768 -22.946 163 HZ PHE 8 HZ PHE 8 16.117 11.479 -21.215 164 H ALA 9 HN ALA 9 12.718 18.057 -23.709 165 HA ALA 9 HA ALA 9 11.994 19.843 -24.816 166 HB1 ALA 9 HB1 ALA 9 10.822 17.802 -26.704 167 HB2 ALA 9 HB2 ALA 9 12.447 18.486 -26.766 168 HB3 ALA 9 HB3 ALA 9 11.044 19.511 -27.070 169 H THR 10 HN THR 10 9.062 19.154 -26.302 170 HA THR 10 HA THR 10 7.485 20.631 -24.467 171 HB THR 10 HB THR 10 6.575 18.882 -26.794 172 HG1 THR 10 HG1 THR 10 7.837 21.318 -26.676 173 HG21 THR 10 HG21 THR 10 4.580 20.355 -26.826 174 HG22 THR 10 HG22 THR 10 5.145 21.144 -25.351 175 HG23 THR 10 HG23 THR 10 4.695 19.436 -25.322 176 H PHE 11 HN PHE 11 7.639 17.129 -25.226 177 HA PHE 11 HA PHE 11 5.492 16.221 -23.638 178 HB2 PHE 11 HB2 PHE 11 8.049 14.834 -24.541 179 HB3 PHE 11 HB1 PHE 11 6.829 13.988 -23.603 180 HD1 PHE 11 HD1 PHE 11 5.181 16.266 -25.813 181 HD2 PHE 11 HD2 PHE 11 7.158 12.473 -25.733 182 HE1 PHE 11 HE1 PHE 11 4.017 15.589 -27.875 183 HE2 PHE 11 HE2 PHE 11 5.982 11.820 -27.792 184 HZ PHE 11 HZ PHE 11 4.408 13.372 -28.858 185 H ARG 12 HN ARG 12 8.746 17.152 -22.753 186 HA ARG 12 HA ARG 12 8.954 16.007 -20.189 187 HB2 ARG 12 HB2 ARG 12 10.875 16.950 -21.425 188 HB3 ARG 12 HB1 ARG 12 10.217 18.552 -21.220 189 HG2 ARG 12 HG2 ARG 12 10.393 17.523 -18.595 190 HG3 ARG 12 HG1 ARG 12 11.848 16.943 -19.393 191 HD2 ARG 12 HD2 ARG 12 12.489 18.972 -18.415 192 HD3 ARG 12 HD1 ARG 12 12.206 19.403 -20.104 193 HE ARG 12 HE ARG 12 10.055 19.790 -18.129 194 HH11 ARG 12 HH11 ARG 12 12.278 21.237 -20.413 195 HH12 ARG 12 HH12 ARG 12 11.681 22.837 -20.141 196 HH21 ARG 12 HH21 ARG 12 9.304 21.891 -17.775 197 HH22 ARG 12 HH22 ARG 12 10.008 23.208 -18.653 198 H GLU 13 HN GLU 13 7.951 19.296 -21.206 199 HA GLU 13 HA GLU 13 7.397 20.132 -18.511 200 HB2 GLU 13 HB2 GLU 13 6.652 22.283 -19.526 201 HB3 GLU 13 HB1 GLU 13 8.254 21.791 -20.036 202 HG2 GLU 13 HG2 GLU 13 7.336 22.627 -21.999 203 HG3 GLU 13 HG1 GLU 13 7.103 20.892 -22.171 204 H VAL 14 HN VAL 14 5.514 18.680 -21.044 205 HA VAL 14 HA VAL 14 2.914 19.051 -20.023 206 HB VAL 14 HB VAL 14 4.114 16.678 -21.520 207 HG11 VAL 14 HG11 VAL 14 1.777 15.946 -21.961 208 HG12 VAL 14 HG12 VAL 14 1.194 17.175 -20.835 209 HG13 VAL 14 HG13 VAL 14 2.204 15.849 -20.251 210 HG21 VAL 14 HG21 VAL 14 4.042 18.779 -22.822 211 HG22 VAL 14 HG22 VAL 14 2.313 18.934 -22.498 212 HG23 VAL 14 HG23 VAL 14 2.910 17.593 -23.479 213 H VAL 15 HN VAL 15 5.308 16.491 -19.326 214 HA VAL 15 HA VAL 15 3.711 15.299 -17.215 215 HB VAL 15 HB VAL 15 6.571 14.705 -18.115 216 HG11 VAL 15 HG11 VAL 15 4.740 13.010 -16.366 217 HG12 VAL 15 HG12 VAL 15 6.190 13.855 -15.827 218 HG13 VAL 15 HG13 VAL 15 6.326 12.521 -16.974 219 HG21 VAL 15 HG21 VAL 15 3.945 13.356 -18.874 220 HG22 VAL 15 HG22 VAL 15 5.550 12.812 -19.365 221 HG23 VAL 15 HG23 VAL 15 4.941 14.368 -19.926 222 H GLY 16 HN GLY 16 5.921 17.873 -17.447 223 HA2 GLY 16 HA2 GLY 16 6.549 19.442 -15.893 224 HA3 GLY 16 HA1 GLY 16 5.718 18.526 -14.645 225 H GLN 17 HN GLN 17 7.959 16.757 -16.528 226 HA GLN 17 HA GLN 17 10.354 17.150 -15.055 227 HB2 GLN 17 HB2 GLN 17 10.354 14.863 -13.910 228 HB3 GLN 17 HB1 GLN 17 9.299 16.077 -13.199 229 HG2 GLN 17 HG2 GLN 17 7.375 15.053 -14.431 230 HG3 GLN 17 HG1 GLN 17 8.457 13.768 -14.965 231 HE21 GLN 17 HE21 GLN 17 9.918 13.439 -12.542 232 HE22 GLN 17 HE22 GLN 17 8.844 12.755 -11.380 233 H LYS 18 HN LYS 18 12.041 15.608 -15.674 234 HA LYS 18 HA LYS 18 11.765 15.093 -18.534 235 HB2 LYS 18 HB2 LYS 18 14.212 15.035 -18.587 236 HB3 LYS 18 HB1 LYS 18 13.631 16.499 -17.805 237 HG2 LYS 18 HG2 LYS 18 14.224 15.663 -15.617 238 HG3 LYS 18 HG1 LYS 18 14.587 14.059 -16.262 239 HD2 LYS 18 HD2 LYS 18 16.117 16.612 -16.925 240 HD3 LYS 18 HD1 LYS 18 16.645 15.375 -15.776 241 HE2 LYS 18 HE2 LYS 18 16.770 13.719 -17.598 242 HE3 LYS 18 HE1 LYS 18 16.183 14.920 -18.752 243 HZ1 LYS 18 HZ1 LYS 18 18.165 16.211 -18.383 244 HZ2 LYS 18 HZ2 LYS 18 18.582 14.637 -18.833 245 HZ3 LYS 18 HZ3 LYS 18 18.714 15.114 -17.219 246 H SER 19 HN SER 19 11.765 13.223 -15.690 247 HA SER 19 HA SER 19 11.737 10.737 -17.202 248 HB2 SER 19 HB2 SER 19 13.720 10.949 -14.880 249 HB3 SER 19 HB1 SER 19 13.501 9.596 -15.990 250 HG SER 19 HG SER 19 14.136 11.337 -17.640 251 H ILE 20 HN ILE 20 10.617 9.122 -16.100 252 HA ILE 20 HA ILE 20 9.795 9.451 -13.294 253 HB ILE 20 HB ILE 20 7.459 8.833 -13.756 254 HG12 ILE 20 HG12 ILE 20 8.247 8.863 -16.701 255 HG13 ILE 20 HG11 ILE 20 7.734 7.458 -15.765 256 HG21 ILE 20 HG21 ILE 20 8.209 11.202 -15.490 257 HG22 ILE 20 HG22 ILE 20 7.956 11.240 -13.744 258 HG23 ILE 20 HG23 ILE 20 6.609 10.867 -14.817 259 HD11 ILE 20 HD11 ILE 20 6.033 9.819 -16.553 260 HD12 ILE 20 HD12 ILE 20 5.497 8.500 -15.510 261 HD13 ILE 20 HD13 ILE 20 5.943 8.176 -17.186 262 H TYR 21 HN TYR 21 8.882 7.307 -12.470 263 HA TYR 21 HA TYR 21 9.556 4.991 -14.187 264 HB2 TYR 21 HB2 TYR 21 9.589 5.221 -11.155 265 HB3 TYR 21 HB1 TYR 21 9.463 3.664 -11.960 266 HD1 TYR 21 HD1 TYR 21 11.714 6.514 -11.260 267 HD2 TYR 21 HD2 TYR 21 11.376 2.705 -13.173 268 HE1 TYR 21 HE1 TYR 21 14.165 6.377 -11.440 269 HE2 TYR 21 HE2 TYR 21 13.815 2.566 -13.337 270 HH TYR 21 HH TYR 21 15.908 4.782 -11.724 271 H TRP 22 HN TRP 22 7.785 4.431 -15.168 272 HA TRP 22 HA TRP 22 5.175 4.173 -13.865 273 HB2 TRP 22 HB2 TRP 22 6.188 4.239 -16.656 274 HB3 TRP 22 HB1 TRP 22 5.002 2.972 -16.410 275 HD1 TRP 22 HD1 TRP 22 4.865 6.601 -14.993 276 HE1 TRP 22 HE1 TRP 22 2.735 7.702 -15.929 277 HE3 TRP 22 HE3 TRP 22 3.221 2.809 -17.923 278 HZ2 TRP 22 HZ2 TRP 22 0.641 7.045 -17.675 279 HZ3 TRP 22 HZ3 TRP 22 1.133 3.098 -19.183 280 HH2 TRP 22 HH2 TRP 22 -0.130 5.178 -19.043 281 H ARG 23 HN ARG 23 4.105 2.016 -14.553 282 HA ARG 23 HA ARG 23 5.775 -0.333 -14.772 283 HB2 ARG 23 HB2 ARG 23 5.800 -0.017 -12.345 284 HB3 ARG 23 HB1 ARG 23 4.050 0.173 -12.303 285 HG2 ARG 23 HG2 ARG 23 3.700 -2.148 -12.816 286 HG3 ARG 23 HG1 ARG 23 5.406 -2.394 -13.199 287 HD2 ARG 23 HD2 ARG 23 6.053 -2.318 -10.935 288 HD3 ARG 23 HD1 ARG 23 4.580 -1.480 -10.440 289 HE ARG 23 HE ARG 23 3.696 -3.892 -11.363 290 HH11 ARG 23 HH11 ARG 23 6.086 -3.027 -8.929 291 HH12 ARG 23 HH12 ARG 23 5.656 -4.335 -7.879 292 HH21 ARG 23 HH21 ARG 23 3.142 -5.569 -9.964 293 HH22 ARG 23 HH22 ARG 23 3.994 -5.769 -8.469 294 H VAL 24 HN VAL 24 4.806 -1.187 -16.449 295 HA VAL 24 HA VAL 24 1.841 -1.260 -16.691 296 HB VAL 24 HB VAL 24 2.183 -1.563 -19.139 297 HG11 VAL 24 HG11 VAL 24 3.583 0.928 -18.117 298 HG12 VAL 24 HG12 VAL 24 1.844 0.720 -18.326 299 HG13 VAL 24 HG13 VAL 24 2.904 0.716 -19.736 300 HG21 VAL 24 HG21 VAL 24 4.384 -2.663 -19.130 301 HG22 VAL 24 HG22 VAL 24 5.157 -1.172 -18.592 302 HG23 VAL 24 HG23 VAL 24 4.418 -1.253 -20.195 303 H ASP 25 HN ASP 25 1.242 -3.245 -18.141 304 HA ASP 25 HA ASP 25 2.045 -5.647 -16.838 305 HB2 ASP 25 HB2 ASP 25 -0.217 -5.058 -18.002 306 HB3 ASP 25 HB1 ASP 25 0.568 -5.527 -19.499 307 H ASP 26 HN ASP 26 3.097 -7.532 -17.897 308 HA ASP 26 HA ASP 26 5.442 -6.817 -19.414 309 HB2 ASP 26 HB2 ASP 26 5.646 -8.548 -17.735 310 HB3 ASP 26 HB1 ASP 26 4.357 -9.498 -18.465 311 H ASP 27 HN ASP 27 2.263 -7.852 -20.211 312 HA ASP 27 HA ASP 27 2.789 -8.735 -22.921 313 HB2 ASP 27 HB2 ASP 27 0.843 -9.639 -21.735 314 HB3 ASP 27 HB1 ASP 27 0.212 -8.023 -21.438 315 H ALA 28 HN ALA 28 2.101 -5.761 -21.248 316 HA ALA 28 HA ALA 28 1.553 -4.092 -23.513 317 HB1 ALA 28 HB1 ALA 28 0.914 -3.463 -21.212 318 HB2 ALA 28 HB2 ALA 28 1.949 -2.237 -21.947 319 HB3 ALA 28 HB3 ALA 28 2.619 -3.359 -20.758 320 H THR 29 HN THR 29 2.991 -2.717 -24.578 321 HA THR 29 HA THR 29 5.907 -3.107 -24.244 322 HB THR 29 HB THR 29 6.096 -3.030 -26.775 323 HG1 THR 29 HG1 THR 29 3.578 -3.930 -27.288 324 HG21 THR 29 HG21 THR 29 5.462 -5.379 -27.180 325 HG22 THR 29 HG22 THR 29 4.514 -5.391 -25.691 326 HG23 THR 29 HG23 THR 29 6.267 -5.199 -25.617 327 H VAL 30 HN VAL 30 6.895 -1.368 -26.041 328 HA VAL 30 HA VAL 30 6.738 1.157 -24.939 329 HB VAL 30 HB VAL 30 8.667 0.609 -26.211 330 HG11 VAL 30 HG11 VAL 30 6.922 0.192 -28.661 331 HG12 VAL 30 HG12 VAL 30 7.742 -1.058 -27.725 332 HG13 VAL 30 HG13 VAL 30 8.689 0.117 -28.639 333 HG21 VAL 30 HG21 VAL 30 8.099 3.012 -26.329 334 HG22 VAL 30 HG22 VAL 30 7.204 2.738 -27.826 335 HG23 VAL 30 HG23 VAL 30 8.952 2.493 -27.786 336 H GLY 31 HN GLY 31 4.858 -0.129 -27.606 337 HA2 GLY 31 HA2 GLY 31 3.515 2.268 -28.385 338 HA3 GLY 31 HA1 GLY 31 3.036 0.622 -28.764 339 H ASP 32 HN ASP 32 2.617 -0.416 -26.198 340 HA ASP 32 HA ASP 32 0.040 0.647 -25.548 341 HB2 ASP 32 HB2 ASP 32 0.635 -1.790 -25.259 342 HB3 ASP 32 HB1 ASP 32 1.654 -1.345 -23.898 343 H VAL 33 HN VAL 33 3.266 1.123 -24.273 344 HA VAL 33 HA VAL 33 2.723 2.369 -21.807 345 HB VAL 33 HB VAL 33 5.051 2.602 -23.751 346 HG11 VAL 33 HG11 VAL 33 6.336 3.805 -22.005 347 HG12 VAL 33 HG12 VAL 33 4.873 3.931 -21.026 348 HG13 VAL 33 HG13 VAL 33 4.963 4.752 -22.585 349 HG21 VAL 33 HG21 VAL 33 4.822 1.290 -21.015 350 HG22 VAL 33 HG22 VAL 33 6.265 1.298 -22.035 351 HG23 VAL 33 HG23 VAL 33 4.812 0.451 -22.569 352 H LEU 34 HN LEU 34 3.442 3.939 -24.971 353 HA LEU 34 HA LEU 34 2.654 6.507 -24.025 354 HB2 LEU 34 HB2 LEU 34 2.780 7.174 -26.499 355 HB3 LEU 34 HB1 LEU 34 4.236 6.629 -25.699 356 HG LEU 34 HG LEU 34 3.787 4.339 -26.824 357 HD11 LEU 34 HD11 LEU 34 2.554 4.354 -28.921 358 HD12 LEU 34 HD12 LEU 34 2.006 6.002 -28.605 359 HD13 LEU 34 HD13 LEU 34 1.498 4.684 -27.549 360 HD21 LEU 34 HD21 LEU 34 5.631 5.851 -27.440 361 HD22 LEU 34 HD22 LEU 34 4.570 6.697 -28.570 362 HD23 LEU 34 HD23 LEU 34 4.988 5.005 -28.847 363 H ARG 35 HN ARG 35 0.890 3.946 -25.669 364 HA ARG 35 HA ARG 35 -1.536 5.214 -26.190 365 HB2 ARG 35 HB2 ARG 35 -1.285 2.999 -26.990 366 HB3 ARG 35 HB1 ARG 35 -0.811 2.374 -25.425 367 HG2 ARG 35 HG2 ARG 35 -3.066 1.608 -26.239 368 HG3 ARG 35 HG1 ARG 35 -3.075 2.344 -24.635 369 HD2 ARG 35 HD2 ARG 35 -3.858 4.447 -25.588 370 HD3 ARG 35 HD1 ARG 35 -3.878 3.731 -27.219 371 HE ARG 35 HE ARG 35 -5.509 2.070 -25.955 372 HH11 ARG 35 HH11 ARG 35 -5.389 5.577 -25.736 373 HH12 ARG 35 HH12 ARG 35 -7.079 5.728 -25.370 374 HH21 ARG 35 HH21 ARG 35 -7.717 2.285 -25.469 375 HH22 ARG 35 HH22 ARG 35 -8.404 3.857 -25.223 376 H SER 36 HN SER 36 -0.419 3.789 -23.157 377 HA SER 36 HA SER 36 -2.800 4.466 -21.706 378 HB2 SER 36 HB2 SER 36 -0.108 3.462 -20.768 379 HB3 SER 36 HB1 SER 36 -1.561 3.573 -19.784 380 HG SER 36 HG SER 36 -0.961 1.822 -21.877 381 H LEU 37 HN LEU 37 0.334 5.998 -22.250 382 HA LEU 37 HA LEU 37 0.471 7.810 -20.117 383 HB2 LEU 37 HB2 LEU 37 1.809 7.558 -22.739 384 HB3 LEU 37 HB1 LEU 37 1.654 9.224 -22.252 385 HG LEU 37 HG LEU 37 3.813 8.432 -21.569 386 HD11 LEU 37 HD11 LEU 37 2.054 8.641 -19.102 387 HD12 LEU 37 HD12 LEU 37 2.712 9.997 -20.024 388 HD13 LEU 37 HD13 LEU 37 3.801 8.904 -19.178 389 HD21 LEU 37 HD21 LEU 37 3.452 6.068 -21.535 390 HD22 LEU 37 HD22 LEU 37 2.399 6.193 -20.127 391 HD23 LEU 37 HD23 LEU 37 4.111 6.578 -19.987 392 H GLU 38 HN GLU 38 -1.036 8.238 -23.312 393 HA GLU 38 HA GLU 38 -1.881 10.916 -22.948 394 HB2 GLU 38 HB2 GLU 38 -3.577 10.344 -24.802 395 HB3 GLU 38 HB1 GLU 38 -1.870 10.184 -25.181 396 HG2 GLU 38 HG2 GLU 38 -1.956 7.811 -25.048 397 HG3 GLU 38 HG1 GLU 38 -3.566 7.837 -24.327 398 H ALA 39 HN ALA 39 -3.301 7.885 -21.910 399 HA ALA 39 HA ALA 39 -5.953 8.765 -21.410 400 HB1 ALA 39 HB1 ALA 39 -5.340 6.381 -21.586 401 HB2 ALA 39 HB2 ALA 39 -6.179 6.706 -20.068 402 HB3 ALA 39 HB3 ALA 39 -4.424 6.493 -20.082 403 H GLU 40 HN GLU 40 -2.978 9.210 -19.646 404 HA GLU 40 HA GLU 40 -4.358 10.266 -17.259 405 HB2 GLU 40 HB2 GLU 40 -1.344 10.235 -17.648 406 HB3 GLU 40 HB1 GLU 40 -2.267 10.280 -16.146 407 HG2 GLU 40 HG2 GLU 40 -3.046 7.888 -16.880 408 HG3 GLU 40 HG1 GLU 40 -1.646 7.958 -17.954 409 H TYR 41 HN TYR 41 -1.859 11.198 -19.579 410 HA TYR 41 HA TYR 41 -2.014 14.001 -18.864 411 HB2 TYR 41 HB2 TYR 41 -0.073 12.480 -20.642 412 HB3 TYR 41 HB1 TYR 41 0.032 14.209 -20.309 413 HD1 TYR 41 HD2 TYR 41 0.500 10.826 -18.883 414 HD2 TYR 41 HD1 TYR 41 0.758 15.020 -18.101 415 HE1 TYR 41 HE2 TYR 41 1.814 10.370 -16.850 416 HE2 TYR 41 HE1 TYR 41 2.058 14.563 -16.069 417 HH TYR 41 HH TYR 41 3.371 11.472 -15.372 418 H ASP 42 HN ASP 42 -3.684 14.948 -19.797 419 HA ASP 42 HA ASP 42 -4.715 14.620 -22.391 420 HB2 ASP 42 HB2 ASP 42 -4.741 17.121 -20.638 421 HB3 ASP 42 HB1 ASP 42 -5.771 16.846 -22.041 422 H GLY 43 HN GLY 43 -2.063 16.529 -21.119 423 HA2 GLY 43 HA2 GLY 43 -1.439 18.130 -23.377 424 HA3 GLY 43 HA1 GLY 43 -0.344 17.711 -22.067 425 H LEU 44 HN LEU 44 -0.906 14.754 -22.770 426 HA LEU 44 HA LEU 44 1.018 14.507 -25.012 427 HB2 LEU 44 HB2 LEU 44 0.183 12.535 -22.841 428 HB3 LEU 44 HB1 LEU 44 1.198 12.098 -24.199 429 HG LEU 44 HG LEU 44 1.903 14.095 -22.032 430 HD11 LEU 44 HD11 LEU 44 3.600 12.460 -21.330 431 HD12 LEU 44 HD12 LEU 44 3.014 11.316 -22.543 432 HD13 LEU 44 HD13 LEU 44 1.969 11.803 -21.206 433 HD21 LEU 44 HD21 LEU 44 3.581 13.171 -24.385 434 HD22 LEU 44 HD22 LEU 44 4.137 14.192 -23.053 435 HD23 LEU 44 HD23 LEU 44 2.894 14.782 -24.149 436 H ALA 45 HN ALA 45 -2.310 14.303 -24.406 437 HA ALA 45 HA ALA 45 -3.127 11.937 -25.652 438 HB1 ALA 45 HB1 ALA 45 -5.347 12.956 -25.800 439 HB2 ALA 45 HB2 ALA 45 -4.654 14.550 -25.492 440 HB3 ALA 45 HB3 ALA 45 -4.603 13.308 -24.238 441 H GLY 46 HN GLY 46 -2.900 11.248 -27.677 442 HA2 GLY 46 HA2 GLY 46 -3.408 11.140 -29.921 443 HA3 GLY 46 HA1 GLY 46 -3.862 12.829 -29.912 444 H ARG 47 HN ARG 47 -0.996 13.259 -28.664 445 HA ARG 47 HA ARG 47 0.284 13.753 -31.278 446 HB2 ARG 47 HB2 ARG 47 1.691 15.347 -30.075 447 HB3 ARG 47 HB1 ARG 47 0.008 15.626 -29.648 448 HG2 ARG 47 HG2 ARG 47 0.466 14.225 -27.567 449 HG3 ARG 47 HG1 ARG 47 2.176 14.328 -27.994 450 HD2 ARG 47 HD2 ARG 47 0.302 16.603 -27.288 451 HD3 ARG 47 HD1 ARG 47 1.698 16.029 -26.378 452 HE ARG 47 HE ARG 47 2.545 16.856 -28.931 453 HH11 ARG 47 HH11 ARG 47 1.425 18.240 -25.885 454 HH12 ARG 47 HH12 ARG 47 2.155 19.783 -26.200 455 HH21 ARG 47 HH21 ARG 47 3.487 18.853 -29.306 456 HH22 ARG 47 HH22 ARG 47 3.338 20.124 -28.138 457 H LEU 48 HN LEU 48 0.284 11.303 -29.154 458 HA LEU 48 HA LEU 48 3.065 10.492 -29.713 459 HB2 LEU 48 HB2 LEU 48 3.320 9.544 -27.571 460 HB3 LEU 48 HB1 LEU 48 2.595 11.106 -27.276 461 HG LEU 48 HG LEU 48 1.427 8.343 -26.898 462 HD11 LEU 48 HD11 LEU 48 0.897 9.188 -24.642 463 HD12 LEU 48 HD12 LEU 48 1.675 10.718 -25.055 464 HD13 LEU 48 HD13 LEU 48 2.618 9.232 -25.022 465 HD21 LEU 48 HD21 LEU 48 -0.780 9.289 -26.404 466 HD22 LEU 48 HD22 LEU 48 -0.343 9.457 -28.092 467 HD23 LEU 48 HD23 LEU 48 -0.261 10.851 -27.028 468 H ILE 49 HN ILE 49 -0.032 9.964 -30.582 469 HA ILE 49 HA ILE 49 0.582 7.265 -31.596 470 HB ILE 49 HB ILE 49 -2.000 7.994 -30.172 471 HG12 ILE 49 HG12 ILE 49 0.001 5.741 -29.812 472 HG13 ILE 49 HG11 ILE 49 -0.370 7.041 -28.680 473 HG21 ILE 49 HG21 ILE 49 -1.623 5.598 -32.018 474 HG22 ILE 49 HG22 ILE 49 -2.677 6.982 -32.318 475 HG23 ILE 49 HG23 ILE 49 -3.028 5.886 -30.986 476 HD11 ILE 49 HD11 ILE 49 -1.281 4.884 -28.010 477 HD12 ILE 49 HD12 ILE 49 -2.262 4.828 -29.467 478 HD13 ILE 49 HD13 ILE 49 -2.546 6.083 -28.254 479 H GLU 50 HN GLU 50 0.024 7.041 -33.764 480 HA GLU 50 HA GLU 50 -2.284 8.513 -34.799 481 HB2 GLU 50 HB2 GLU 50 0.493 8.851 -35.902 482 HB3 GLU 50 HB1 GLU 50 -0.799 8.681 -37.079 483 HG2 GLU 50 HG2 GLU 50 -1.950 10.553 -35.581 484 HG3 GLU 50 HG1 GLU 50 -0.280 10.878 -35.118 485 H ASP 51 HN ASP 51 -3.623 6.967 -35.440 486 HA ASP 51 HA ASP 51 -4.536 5.161 -36.456 487 HB2 ASP 51 HB2 ASP 51 -3.616 6.446 -38.428 488 HB3 ASP 51 HB1 ASP 51 -2.202 5.400 -38.395 489 H GLY 52 HN GLY 52 -2.677 4.646 -34.294 490 HA2 GLY 52 HA2 GLY 52 -2.334 2.679 -33.132 491 HA3 GLY 52 HA1 GLY 52 -2.555 1.764 -34.607 492 H GLU 53 HN GLU 53 -0.235 4.079 -35.301 493 HA GLU 53 HA GLU 53 2.020 2.475 -34.209 494 HB2 GLU 53 HB2 GLU 53 3.481 3.647 -35.814 495 HB3 GLU 53 HB1 GLU 53 2.165 2.830 -36.656 496 HG2 GLU 53 HG2 GLU 53 1.053 4.835 -37.126 497 HG3 GLU 53 HG1 GLU 53 1.946 5.750 -35.927 498 H VAL 54 HN VAL 54 4.014 4.291 -33.993 499 HA VAL 54 HA VAL 54 3.354 5.606 -31.585 500 HB VAL 54 HB VAL 54 5.655 6.660 -31.718 501 HG11 VAL 54 HG11 VAL 54 5.490 3.655 -32.077 502 HG12 VAL 54 HG12 VAL 54 5.243 4.540 -30.573 503 HG13 VAL 54 HG13 VAL 54 6.835 4.529 -31.335 504 HG21 VAL 54 HG21 VAL 54 5.936 6.806 -34.177 505 HG22 VAL 54 HG22 VAL 54 5.932 5.045 -34.294 506 HG23 VAL 54 HG23 VAL 54 7.249 5.866 -33.450 507 H LYS 55 HN LYS 55 4.142 7.061 -34.821 508 HA LYS 55 HA LYS 55 2.405 8.963 -35.294 509 HB2 LYS 55 HB2 LYS 55 2.211 10.130 -33.274 510 HB3 LYS 55 HB1 LYS 55 3.900 9.931 -32.860 511 HG2 LYS 55 HG2 LYS 55 3.735 12.211 -33.163 512 HG3 LYS 55 HG1 LYS 55 4.347 11.683 -34.717 513 HD2 LYS 55 HD2 LYS 55 2.699 13.308 -35.194 514 HD3 LYS 55 HD1 LYS 55 1.946 11.760 -35.572 515 HE2 LYS 55 HE2 LYS 55 0.648 11.834 -33.525 516 HE3 LYS 55 HE1 LYS 55 1.532 13.254 -32.958 517 HZ1 LYS 55 HZ1 LYS 55 -0.613 13.873 -33.850 518 HZ2 LYS 55 HZ2 LYS 55 -0.244 13.151 -35.341 519 HZ3 LYS 55 HZ3 LYS 55 0.627 14.513 -34.820 520 HA PRO 56 HA PRO 56 5.806 9.890 -38.251 521 HB2 PRO 56 HB2 PRO 56 4.373 11.911 -39.541 522 HB3 PRO 56 HB1 PRO 56 4.255 10.194 -39.949 523 HG2 PRO 56 HG2 PRO 56 2.488 11.864 -38.161 524 HG3 PRO 56 HG1 PRO 56 2.016 10.688 -39.399 525 HD2 PRO 56 HD2 PRO 56 1.947 10.012 -36.843 526 HD3 PRO 56 HD1 PRO 56 2.561 8.850 -38.049 527 H HIS 57 HN HIS 57 7.406 11.369 -38.102 528 HA HIS 57 HA HIS 57 8.633 13.225 -37.725 529 HB2 HIS 57 HB2 HIS 57 6.220 14.694 -36.608 530 HB3 HIS 57 HB1 HIS 57 7.735 15.401 -37.158 531 HD1 HIS 57 HD1 HIS 57 8.142 15.014 -39.894 532 HD2 HIS 57 HD2 HIS 57 4.246 14.758 -38.463 533 HE1 HIS 57 HE1 HIS 57 6.663 15.334 -41.898 534 HE2 HIS 57 HE2 HIS 57 4.340 14.937 -41.042 535 H VAL 58 HN VAL 58 6.809 11.758 -35.177 536 HA VAL 58 HA VAL 58 8.071 13.110 -32.968 537 HB VAL 58 HB VAL 58 5.800 11.705 -33.004 538 HG11 VAL 58 HG11 VAL 58 6.774 9.521 -33.607 539 HG12 VAL 58 HG12 VAL 58 5.942 9.456 -32.053 540 HG13 VAL 58 HG13 VAL 58 7.705 9.521 -32.107 541 HG21 VAL 58 HG21 VAL 58 7.627 11.669 -30.586 542 HG22 VAL 58 HG22 VAL 58 5.868 11.481 -30.558 543 HG23 VAL 58 HG23 VAL 58 6.584 13.004 -31.084 544 H ASN 59 HN ASN 59 9.690 12.214 -31.549 545 HA ASN 59 HA ASN 59 11.379 10.072 -32.739 546 HB2 ASN 59 HB2 ASN 59 12.232 12.521 -31.119 547 HB3 ASN 59 HB1 ASN 59 13.321 11.246 -31.657 548 HD21 ASN 59 HD21 ASN 59 13.929 11.168 -33.830 549 HD22 ASN 59 HD22 ASN 59 13.628 12.465 -34.924 550 H VAL 60 HN VAL 60 10.799 8.322 -31.560 551 HA VAL 60 HA VAL 60 10.775 8.523 -28.601 552 HB VAL 60 HB VAL 60 9.312 6.381 -28.726 553 HG11 VAL 60 HG11 VAL 60 8.466 8.569 -27.905 554 HG12 VAL 60 HG12 VAL 60 7.214 7.716 -28.813 555 HG13 VAL 60 HG13 VAL 60 8.087 9.056 -29.563 556 HG21 VAL 60 HG21 VAL 60 7.853 6.151 -30.707 557 HG22 VAL 60 HG22 VAL 60 9.549 5.923 -31.138 558 HG23 VAL 60 HG23 VAL 60 8.739 7.444 -31.522 559 H LEU 61 HN LEU 61 12.008 7.163 -27.507 560 HA LEU 61 HA LEU 61 13.889 5.444 -28.982 561 HB2 LEU 61 HB2 LEU 61 14.452 7.402 -26.735 562 HB3 LEU 61 HB1 LEU 61 15.605 6.188 -27.259 563 HG LEU 61 HG LEU 61 15.495 7.319 -29.553 564 HD11 LEU 61 HD11 LEU 61 13.532 8.606 -29.452 565 HD12 LEU 61 HD12 LEU 61 14.892 9.710 -29.605 566 HD13 LEU 61 HD13 LEU 61 14.106 9.488 -28.039 567 HD21 LEU 61 HD21 LEU 61 17.144 9.046 -28.970 568 HD22 LEU 61 HD22 LEU 61 17.446 7.549 -28.089 569 HD23 LEU 61 HD23 LEU 61 16.680 8.913 -27.268 570 H LYS 62 HN LYS 62 14.054 3.437 -28.227 571 HA LYS 62 HA LYS 62 13.218 2.742 -25.488 572 HB2 LYS 62 HB2 LYS 62 12.074 1.387 -27.074 573 HB3 LYS 62 HB1 LYS 62 13.510 1.162 -28.056 574 HG2 LYS 62 HG2 LYS 62 12.973 -0.892 -26.942 575 HG3 LYS 62 HG1 LYS 62 14.497 -0.256 -26.325 576 HD2 LYS 62 HD2 LYS 62 12.873 0.790 -24.462 577 HD3 LYS 62 HD1 LYS 62 11.832 -0.549 -24.965 578 HE2 LYS 62 HE2 LYS 62 14.618 -0.670 -23.792 579 HE3 LYS 62 HE1 LYS 62 13.122 -1.329 -23.142 580 HZ1 LYS 62 HZ1 LYS 62 14.590 -2.310 -25.520 581 HZ2 LYS 62 HZ2 LYS 62 13.092 -2.899 -25.018 582 HZ3 LYS 62 HZ3 LYS 62 14.443 -3.084 -24.027 583 H ASN 63 HN ASN 63 14.864 2.807 -24.102 584 HA ASN 63 HA ASN 63 16.880 2.661 -23.095 585 HB2 ASN 63 HB2 ASN 63 16.383 0.211 -23.615 586 HB3 ASN 63 HB1 ASN 63 17.407 0.361 -25.036 587 HD21 ASN 63 HD21 ASN 63 18.827 -1.260 -24.272 588 HD22 ASN 63 HD22 ASN 63 19.917 -0.982 -22.959 589 H GLY 64 HN GLY 64 16.644 4.524 -25.229 590 HA2 GLY 64 HA2 GLY 64 18.101 6.167 -26.010 591 HA3 GLY 64 HA1 GLY 64 19.456 5.082 -25.759 592 H ARG 65 HN ARG 65 17.341 3.234 -27.455 593 HA ARG 65 HA ARG 65 18.498 3.908 -30.098 594 HB2 ARG 65 HB2 ARG 65 18.818 1.567 -29.191 595 HB3 ARG 65 HB1 ARG 65 17.074 1.345 -29.224 596 HG2 ARG 65 HG2 ARG 65 17.882 0.294 -31.198 597 HG3 ARG 65 HG1 ARG 65 17.185 1.814 -31.738 598 HD2 ARG 65 HD2 ARG 65 19.315 1.381 -32.871 599 HD3 ARG 65 HD1 ARG 65 19.432 2.817 -31.851 600 HE ARG 65 HE ARG 65 20.324 0.718 -30.298 601 HH11 ARG 65 HH11 ARG 65 21.383 2.232 -33.306 602 HH12 ARG 65 HH12 ARG 65 23.040 1.796 -33.050 603 HH21 ARG 65 HH21 ARG 65 22.509 0.257 -29.966 604 HH22 ARG 65 HH22 ARG 65 23.674 0.715 -31.156 605 H GLU 66 HN GLU 66 17.179 5.047 -31.433 606 HA GLU 66 HA GLU 66 14.512 5.685 -30.660 607 HB2 GLU 66 HB2 GLU 66 16.337 7.128 -31.871 608 HB3 GLU 66 HB1 GLU 66 15.702 6.418 -33.345 609 HG2 GLU 66 HG2 GLU 66 13.474 7.366 -32.821 610 HG3 GLU 66 HG1 GLU 66 14.118 8.034 -31.340 611 H VAL 67 HN VAL 67 12.806 4.412 -30.992 612 HA VAL 67 HA VAL 67 12.867 2.149 -32.764 613 HB VAL 67 HB VAL 67 10.668 1.550 -31.802 614 HG11 VAL 67 HG11 VAL 67 12.825 2.263 -29.778 615 HG12 VAL 67 HG12 VAL 67 12.712 0.776 -30.726 616 HG13 VAL 67 HG13 VAL 67 11.494 1.132 -29.497 617 HG21 VAL 67 HG21 VAL 67 9.739 3.809 -31.402 618 HG22 VAL 67 HG22 VAL 67 10.956 4.117 -30.162 619 HG23 VAL 67 HG23 VAL 67 9.732 2.868 -29.908 620 H VAL 68 HN VAL 68 11.981 5.302 -33.438 621 HA VAL 68 HA VAL 68 9.754 4.882 -35.186 622 HB VAL 68 HB VAL 68 10.248 7.066 -36.164 623 HG11 VAL 68 HG11 VAL 68 10.194 8.462 -34.125 624 HG12 VAL 68 HG12 VAL 68 10.704 7.076 -33.160 625 HG13 VAL 68 HG13 VAL 68 9.140 7.054 -33.984 626 HG21 VAL 68 HG21 VAL 68 12.685 6.910 -36.430 627 HG22 VAL 68 HG22 VAL 68 12.911 6.962 -34.682 628 HG23 VAL 68 HG23 VAL 68 12.276 8.372 -35.529 629 H HIS 69 HN HIS 69 13.094 4.130 -35.450 630 HA HIS 69 HA HIS 69 13.235 4.017 -38.363 631 HB2 HIS 69 HB2 HIS 69 15.267 3.026 -36.308 632 HB3 HIS 69 HB1 HIS 69 15.569 3.317 -38.020 633 HD1 HIS 69 HD1 HIS 69 14.880 6.063 -38.614 634 HD2 HIS 69 HD2 HIS 69 16.266 5.033 -34.825 635 HE1 HIS 69 HE1 HIS 69 15.708 8.213 -37.593 636 HE2 HIS 69 HE2 HIS 69 16.329 7.603 -35.235 637 H LEU 70 HN LEU 70 12.213 1.992 -35.832 638 HA LEU 70 HA LEU 70 12.022 -0.369 -37.545 639 HB2 LEU 70 HB2 LEU 70 12.755 -1.883 -35.712 640 HB3 LEU 70 HB1 LEU 70 14.041 -0.855 -36.300 641 HG LEU 70 HG LEU 70 12.540 -0.111 -33.755 642 HD11 LEU 70 HD11 LEU 70 14.961 -1.948 -33.850 643 HD12 LEU 70 HD12 LEU 70 13.317 -2.431 -33.423 644 HD13 LEU 70 HD13 LEU 70 14.190 -1.296 -32.397 645 HD21 LEU 70 HD21 LEU 70 15.371 0.475 -34.701 646 HD22 LEU 70 HD22 LEU 70 14.638 1.043 -33.193 647 HD23 LEU 70 HD23 LEU 70 14.007 1.598 -34.742 648 H ASP 71 HN ASP 71 10.952 -2.004 -35.342 649 HA ASP 71 HA ASP 71 8.243 -1.282 -35.302 650 HB2 ASP 71 HB2 ASP 71 9.873 -3.104 -33.485 651 HB3 ASP 71 HB1 ASP 71 8.122 -2.957 -33.361 652 H GLY 72 HN GLY 72 7.549 0.608 -34.457 653 HA2 GLY 72 HA2 GLY 72 8.716 1.801 -32.067 654 HA3 GLY 72 HA1 GLY 72 7.453 2.490 -33.071 655 H MET 73 HN MET 73 5.837 0.033 -32.949 656 HA MET 73 HA MET 73 4.429 0.594 -30.485 657 HB2 MET 73 HB2 MET 73 3.812 -0.886 -33.018 658 HB3 MET 73 HB1 MET 73 2.950 -1.415 -31.579 659 HG2 MET 73 HG2 MET 73 3.019 1.485 -32.434 660 HG3 MET 73 HG1 MET 73 1.788 0.349 -32.994 661 HE1 MET 73 HE1 MET 73 1.820 3.172 -30.898 662 HE2 MET 73 HE2 MET 73 0.384 2.777 -29.952 663 HE3 MET 73 HE3 MET 73 0.357 2.609 -31.707 664 H ALA 74 HN ALA 74 6.330 -2.135 -31.754 665 HA ALA 74 HA ALA 74 6.666 -3.141 -29.023 666 HB1 ALA 74 HB1 ALA 74 5.870 -5.410 -29.511 667 HB2 ALA 74 HB2 ALA 74 5.403 -4.911 -31.140 668 HB3 ALA 74 HB3 ALA 74 4.576 -4.231 -29.737 669 H THR 75 HN THR 75 8.842 -2.505 -29.476 670 HA THR 75 HA THR 75 10.425 -3.955 -31.400 671 HB THR 75 HB THR 75 11.135 -1.717 -31.077 672 HG1 THR 75 HG1 THR 75 12.862 -3.234 -31.199 673 HG21 THR 75 HG21 THR 75 11.394 -2.212 -28.083 674 HG22 THR 75 HG22 THR 75 10.122 -1.264 -28.856 675 HG23 THR 75 HG23 THR 75 11.797 -0.720 -28.934 676 H ALA 76 HN ALA 76 10.672 -3.802 -27.779 677 HA ALA 76 HA ALA 76 11.360 -6.446 -27.212 678 HB1 ALA 76 HB1 ALA 76 13.830 -6.363 -27.077 679 HB2 ALA 76 HB2 ALA 76 13.814 -4.759 -27.827 680 HB3 ALA 76 HB3 ALA 76 13.262 -6.161 -28.742 681 H LEU 77 HN LEU 77 9.993 -4.285 -26.004 682 HA LEU 77 HA LEU 77 11.597 -2.929 -24.039 683 HB2 LEU 77 HB2 LEU 77 9.230 -2.289 -25.160 684 HB3 LEU 77 HB1 LEU 77 8.604 -3.095 -23.742 685 HG LEU 77 HG LEU 77 10.167 -0.509 -23.940 686 HD11 LEU 77 HD11 LEU 77 8.374 0.396 -22.595 687 HD12 LEU 77 HD12 LEU 77 7.647 -1.203 -22.429 688 HD13 LEU 77 HD13 LEU 77 7.729 -0.432 -24.006 689 HD21 LEU 77 HD21 LEU 77 11.399 -1.718 -22.234 690 HD22 LEU 77 HD22 LEU 77 9.910 -2.104 -21.371 691 HD23 LEU 77 HD23 LEU 77 10.454 -0.427 -21.493 692 H ASP 78 HN ASP 78 12.345 -3.938 -22.253 693 HA ASP 78 HA ASP 78 10.791 -6.139 -21.018 694 HB2 ASP 78 HB2 ASP 78 13.823 -5.802 -21.210 695 HB3 ASP 78 HB1 ASP 78 13.027 -7.060 -20.288 696 H ASP 79 HN ASP 79 11.859 -6.457 -18.651 697 HA ASP 79 HA ASP 79 10.843 -4.209 -17.197 698 HB2 ASP 79 HB2 ASP 79 11.241 -5.613 -15.187 699 HB3 ASP 79 HB1 ASP 79 10.378 -6.487 -16.437 700 H GLY 80 HN GLY 80 11.877 -2.828 -15.801 701 HA2 GLY 80 HA2 GLY 80 13.547 -1.516 -14.966 702 HA3 GLY 80 HA1 GLY 80 14.687 -2.812 -15.277 703 H ASP 81 HN ASP 81 12.833 -1.620 -17.979 704 HA ASP 81 HA ASP 81 15.274 -0.474 -19.164 705 HB2 ASP 81 HB2 ASP 81 12.828 -1.787 -20.289 706 HB3 ASP 81 HB1 ASP 81 13.559 -0.556 -21.285 707 H ALA 82 HN ALA 82 15.429 1.537 -19.978 708 HA ALA 82 HA ALA 82 13.480 3.536 -19.056 709 HB1 ALA 82 HB1 ALA 82 15.307 5.159 -19.416 710 HB2 ALA 82 HB2 ALA 82 16.335 3.872 -20.060 711 HB3 ALA 82 HB3 ALA 82 15.823 3.835 -18.371 712 H VAL 83 HN VAL 83 11.930 3.972 -20.576 713 HA VAL 83 HA VAL 83 12.579 4.067 -23.454 714 HB VAL 83 HB VAL 83 9.856 4.390 -22.106 715 HG11 VAL 83 HG11 VAL 83 10.537 3.907 -25.038 716 HG12 VAL 83 HG12 VAL 83 9.925 5.415 -24.351 717 HG13 VAL 83 HG13 VAL 83 8.907 3.973 -24.357 718 HG21 VAL 83 HG21 VAL 83 9.406 2.052 -22.784 719 HG22 VAL 83 HG22 VAL 83 10.745 2.156 -21.638 720 HG23 VAL 83 HG23 VAL 83 11.071 1.899 -23.356 721 H SER 84 HN SER 84 13.494 5.967 -23.956 722 HA SER 84 HA SER 84 12.724 8.523 -22.795 723 HB2 SER 84 HB2 SER 84 14.696 7.770 -24.999 724 HB3 SER 84 HB1 SER 84 14.514 9.392 -24.340 725 HG SER 84 HG SER 84 14.868 7.498 -22.401 726 H VAL 85 HN VAL 85 11.751 10.274 -24.060 727 HA VAL 85 HA VAL 85 10.701 9.680 -26.723 728 HB VAL 85 HB VAL 85 8.407 10.387 -26.259 729 HG11 VAL 85 HG11 VAL 85 7.535 8.491 -24.947 730 HG12 VAL 85 HG12 VAL 85 9.154 8.160 -24.325 731 HG13 VAL 85 HG13 VAL 85 8.816 7.968 -26.047 732 HG21 VAL 85 HG21 VAL 85 8.800 11.965 -24.449 733 HG22 VAL 85 HG22 VAL 85 9.226 10.645 -23.353 734 HG23 VAL 85 HG23 VAL 85 7.575 10.787 -23.964 735 H PHE 86 HN PHE 86 10.329 11.474 -27.934 736 HA PHE 86 HA PHE 86 10.805 14.183 -26.871 737 HB2 PHE 86 HB2 PHE 86 12.068 13.094 -29.449 738 HB3 PHE 86 HB1 PHE 86 12.186 14.743 -28.866 739 HD1 PHE 86 HD2 PHE 86 13.088 11.232 -27.902 740 HD2 PHE 86 HD1 PHE 86 14.127 15.376 -27.657 741 HE1 PHE 86 HE2 PHE 86 15.207 10.650 -26.814 742 HE2 PHE 86 HE1 PHE 86 16.263 14.764 -26.587 743 HZ PHE 86 HZ PHE 86 16.797 12.385 -26.176 744 HA PRO 87 HA PRO 87 6.966 14.725 -29.339 745 HB2 PRO 87 HB2 PRO 87 7.117 17.505 -29.629 746 HB3 PRO 87 HB1 PRO 87 6.520 16.687 -28.181 747 HG2 PRO 87 HG2 PRO 87 9.270 17.758 -28.756 748 HG3 PRO 87 HG1 PRO 87 8.286 17.935 -27.291 749 HD2 PRO 87 HD2 PRO 87 10.253 16.157 -27.351 750 HD3 PRO 87 HD1 PRO 87 8.708 15.738 -26.576 751 HA PRO 88 HA PRO 88 8.018 14.965 -33.676 752 HB2 PRO 88 HB2 PRO 88 5.893 16.345 -34.774 753 HB3 PRO 88 HB1 PRO 88 5.798 14.661 -34.242 754 HG2 PRO 88 HG2 PRO 88 4.980 17.161 -32.772 755 HG3 PRO 88 HG1 PRO 88 4.084 15.638 -32.962 756 HD2 PRO 88 HD2 PRO 88 5.444 16.178 -30.699 757 HD3 PRO 88 HD1 PRO 88 5.399 14.523 -31.361 758 H VAL 89 HN VAL 89 9.430 16.143 -34.796 759 HA VAL 89 HA VAL 89 10.032 18.870 -33.997 760 HB VAL 89 HB VAL 89 12.005 18.675 -35.529 761 HG11 VAL 89 HG11 VAL 89 12.234 18.012 -33.175 762 HG12 VAL 89 HG12 VAL 89 13.235 16.985 -34.204 763 HG13 VAL 89 HG13 VAL 89 11.708 16.369 -33.563 764 HG21 VAL 89 HG21 VAL 89 11.046 17.180 -37.240 765 HG22 VAL 89 HG22 VAL 89 10.980 15.855 -36.076 766 HG23 VAL 89 HG23 VAL 89 12.542 16.494 -36.596 767 H ALA 90 HN ALA 90 8.385 17.306 -36.648 768 HA ALA 90 HA ALA 90 8.270 19.857 -38.158 769 HB1 ALA 90 HB1 ALA 90 9.468 18.104 -39.399 770 HB2 ALA 90 HB2 ALA 90 7.950 18.515 -40.200 771 HB3 ALA 90 HB3 ALA 90 8.076 17.028 -39.253 772 H GLY 91 HN GLY 91 6.326 20.786 -38.209 773 HA2 GLY 91 HA2 GLY 91 4.066 21.148 -38.274 774 HA3 GLY 91 HA1 GLY 91 3.879 19.488 -38.815 775 H GLY 92 HN GLY 92 3.025 18.025 -37.412 776 HA2 GLY 92 HA2 GLY 92 3.193 18.196 -34.570 777 HA3 GLY 92 HA1 GLY 92 1.606 18.713 -35.148 Start of MODEL 14 1 H1 GLY -13 HT1 GLY -13 -0.178 3.382 1.311 2 H2 GLY -13 HT2 GLY -13 0.573 2.547 0.051 3 H3 GLY -13 HT3 GLY -13 -0.208 1.694 1.283 4 HA2 GLY -13 HA1 GLY -13 -2.326 2.608 0.619 5 HA3 GLY -13 HA2 GLY -13 -1.525 3.484 -0.676 6 H GLY -12 HN GLY -12 -0.845 2.351 -2.544 7 HA2 GLY -12 HA2 GLY -12 -1.009 -0.528 -2.757 8 HA3 GLY -12 HA1 GLY -12 -2.348 0.303 -3.545 9 H GLY -11 HN GLY -11 -0.406 -1.327 -4.824 10 HA2 GLY -11 HA2 GLY -11 1.088 0.592 -6.540 11 HA3 GLY -11 HA1 GLY -11 1.514 -1.097 -6.284 12 H ARG -10 HN ARG -10 1.338 -1.961 -8.327 13 HA ARG -10 HA ARG -10 -1.312 -2.218 -9.485 14 HB2 ARG -10 HB2 ARG -10 -0.491 -0.108 -10.485 15 HB3 ARG -10 HB1 ARG -10 0.950 -0.920 -11.068 16 HG2 ARG -10 HG2 ARG -10 -0.129 -1.901 -12.855 17 HG3 ARG -10 HG1 ARG -10 -1.658 -2.069 -11.986 18 HD2 ARG -10 HD2 ARG -10 -0.559 0.556 -13.075 19 HD3 ARG -10 HD1 ARG -10 -1.806 -0.431 -13.847 20 HE ARG -10 HE ARG -10 -3.227 -0.043 -11.907 21 HH11 ARG -10 HH11 ARG -10 -0.589 2.239 -12.337 22 HH12 ARG -10 HH12 ARG -10 -1.283 3.420 -11.277 23 HH21 ARG -10 HH21 ARG -10 -4.129 1.500 -10.551 24 HH22 ARG -10 HH22 ARG -10 -3.308 3.002 -10.271 25 H ASP -9 HN ASP -9 -1.397 -4.377 -9.581 26 HA ASP -9 HA ASP -9 0.309 -5.768 -11.454 27 HB2 ASP -9 HB2 ASP -9 0.950 -7.606 -9.939 28 HB3 ASP -9 HB1 ASP -9 1.646 -6.078 -9.427 29 H TYR -8 HN TYR -8 -0.624 -7.674 -12.248 30 HA TYR -8 HA TYR -8 -3.555 -7.610 -12.090 31 HB2 TYR -8 HB2 TYR -8 -1.662 -8.755 -14.181 32 HB3 TYR -8 HB1 TYR -8 -3.414 -8.930 -14.253 33 HD1 TYR -8 HD2 TYR -8 -0.807 -6.236 -13.930 34 HD2 TYR -8 HD1 TYR -8 -4.631 -7.325 -15.499 35 HE1 TYR -8 HE2 TYR -8 -0.956 -4.065 -15.084 36 HE2 TYR -8 HE1 TYR -8 -4.780 -5.157 -16.640 37 HH TYR -8 HH TYR -8 -3.875 -2.975 -16.571 38 H LYS -7 HN LYS -7 -0.889 -9.869 -12.085 39 HA LYS -7 HA LYS -7 -0.647 -12.031 -11.647 40 HB2 LYS -7 HB2 LYS -7 -3.106 -11.697 -9.878 41 HB3 LYS -7 HB1 LYS -7 -2.090 -13.118 -9.923 42 HG2 LYS -7 HG2 LYS -7 -1.277 -12.003 -8.044 43 HG3 LYS -7 HG1 LYS -7 -0.148 -11.515 -9.300 44 HD2 LYS -7 HD2 LYS -7 -0.697 -9.602 -7.936 45 HD3 LYS -7 HD1 LYS -7 -1.357 -9.379 -9.553 46 HE2 LYS -7 HE2 LYS -7 -3.602 -10.029 -8.723 47 HE3 LYS -7 HE1 LYS -7 -2.942 -10.238 -7.097 48 HZ1 LYS -7 HZ1 LYS -7 -3.981 -8.101 -7.304 49 HZ2 LYS -7 HZ2 LYS -7 -3.033 -7.704 -8.642 50 HZ3 LYS -7 HZ3 LYS -7 -2.312 -7.884 -7.124 51 H ASP -6 HN ASP -6 -1.214 -12.025 -13.995 52 HA ASP -6 HA ASP -6 -3.606 -13.371 -14.866 53 HB2 ASP -6 HB2 ASP -6 -2.157 -11.949 -16.363 54 HB3 ASP -6 HB1 ASP -6 -0.860 -13.127 -16.218 55 H ASP -5 HN ASP -5 -0.204 -14.333 -14.631 56 HA ASP -5 HA ASP -5 -0.785 -17.112 -13.889 57 HB2 ASP -5 HB2 ASP -5 1.039 -16.424 -15.559 58 HB3 ASP -5 HB1 ASP -5 1.893 -15.655 -14.230 59 H ASP -4 HN ASP -4 1.111 -17.674 -11.978 60 HA ASP -4 HA ASP -4 0.042 -16.783 -9.552 61 HB2 ASP -4 HB2 ASP -4 1.238 -18.921 -9.783 62 HB3 ASP -4 HB1 ASP -4 2.744 -18.077 -10.120 63 H ASP -3 HN ASP -3 2.745 -15.482 -11.418 64 HA ASP -3 HA ASP -3 3.813 -13.839 -9.291 65 HB2 ASP -3 HB2 ASP -3 5.395 -13.037 -10.911 66 HB3 ASP -3 HB1 ASP -3 5.199 -14.763 -11.188 67 H LYS -2 HN LYS -2 4.270 -11.379 -10.157 68 HA LYS -2 HA LYS -2 1.839 -9.984 -9.705 69 HB2 LYS -2 HB2 LYS -2 3.214 -7.944 -9.916 70 HB3 LYS -2 HB1 LYS -2 4.030 -9.155 -8.935 71 HG2 LYS -2 HG2 LYS -2 5.438 -9.768 -10.891 72 HG3 LYS -2 HG1 LYS -2 4.641 -8.516 -11.844 73 HD2 LYS -2 HD2 LYS -2 6.739 -7.611 -11.108 74 HD3 LYS -2 HD1 LYS -2 5.477 -6.817 -10.165 75 HE2 LYS -2 HE2 LYS -2 7.346 -7.386 -8.712 76 HE3 LYS -2 HE1 LYS -2 5.953 -8.373 -8.273 77 HZ1 LYS -2 HZ1 LYS -2 7.940 -9.701 -8.307 78 HZ2 LYS -2 HZ2 LYS -2 8.288 -9.242 -9.893 79 HZ3 LYS -2 HZ3 LYS -2 6.933 -10.201 -9.573 80 H GLY -1 HN GLY -1 3.606 -10.714 -12.681 81 HA2 GLY -1 HA2 GLY -1 3.065 -10.473 -14.896 82 HA3 GLY -1 HA1 GLY -1 1.409 -10.205 -14.389 83 H THR 0 HN THR 0 4.192 -8.277 -13.521 84 HA THR 0 HA THR 0 3.508 -6.051 -15.269 85 HB THR 0 HB THR 0 3.632 -4.506 -13.083 86 HG1 THR 0 HG1 THR 0 2.703 -6.997 -12.079 87 HG21 THR 0 HG21 THR 0 1.184 -4.480 -12.882 88 HG22 THR 0 HG22 THR 0 1.082 -5.991 -13.788 89 HG23 THR 0 HG23 THR 0 1.680 -4.528 -14.576 90 H MET 1 HN MET 1 5.115 -4.352 -15.171 91 HA MET 1 HA MET 1 7.712 -4.986 -13.984 92 HB2 MET 1 HB2 MET 1 8.877 -4.888 -16.154 93 HB3 MET 1 HB1 MET 1 7.712 -6.201 -16.149 94 HG2 MET 1 HG2 MET 1 6.133 -4.704 -17.400 95 HG3 MET 1 HG1 MET 1 7.443 -3.525 -17.533 96 HE1 MET 1 HE1 MET 1 7.556 -3.410 -20.123 97 HE2 MET 1 HE2 MET 1 6.081 -4.381 -20.141 98 HE3 MET 1 HE3 MET 1 7.442 -4.822 -21.172 99 H GLU 2 HN GLU 2 9.016 -3.167 -13.747 100 HA GLU 2 HA GLU 2 7.719 -0.572 -14.029 101 HB2 GLU 2 HB2 GLU 2 8.792 -1.157 -11.880 102 HB3 GLU 2 HB1 GLU 2 10.347 -1.340 -12.680 103 HG2 GLU 2 HG2 GLU 2 10.473 1.019 -13.148 104 HG3 GLU 2 HG1 GLU 2 8.805 1.270 -12.643 105 H LEU 3 HN LEU 3 8.505 1.103 -15.328 106 HA LEU 3 HA LEU 3 10.845 0.606 -17.076 107 HB2 LEU 3 HB2 LEU 3 8.238 1.806 -18.127 108 HB3 LEU 3 HB1 LEU 3 9.689 1.419 -19.037 109 HG LEU 3 HG LEU 3 9.140 -1.078 -18.331 110 HD11 LEU 3 HD11 LEU 3 6.389 0.152 -18.067 111 HD12 LEU 3 HD12 LEU 3 7.335 -0.572 -16.765 112 HD13 LEU 3 HD13 LEU 3 6.767 -1.573 -18.097 113 HD21 LEU 3 HD21 LEU 3 9.142 -0.250 -20.644 114 HD22 LEU 3 HD22 LEU 3 7.489 0.339 -20.443 115 HD23 LEU 3 HD23 LEU 3 7.830 -1.393 -20.367 116 H GLU 4 HN GLU 4 12.108 2.455 -17.406 117 HA GLU 4 HA GLU 4 11.351 4.869 -15.922 118 HB2 GLU 4 HB2 GLU 4 13.651 4.002 -15.655 119 HB3 GLU 4 HB1 GLU 4 13.930 4.172 -17.378 120 HG2 GLU 4 HG2 GLU 4 13.762 6.601 -17.213 121 HG3 GLU 4 HG1 GLU 4 13.318 6.480 -15.507 122 H LEU 5 HN LEU 5 9.972 6.166 -17.042 123 HA LEU 5 HA LEU 5 10.216 6.379 -19.960 124 HB2 LEU 5 HB2 LEU 5 8.072 7.592 -18.210 125 HB3 LEU 5 HB1 LEU 5 8.050 7.404 -19.959 126 HG LEU 5 HG LEU 5 7.806 5.217 -17.859 127 HD11 LEU 5 HD11 LEU 5 5.896 6.166 -20.007 128 HD12 LEU 5 HD12 LEU 5 5.775 6.493 -18.274 129 HD13 LEU 5 HD13 LEU 5 5.615 4.844 -18.869 130 HD21 LEU 5 HD21 LEU 5 8.024 4.836 -20.871 131 HD22 LEU 5 HD22 LEU 5 7.613 3.585 -19.693 132 HD23 LEU 5 HD23 LEU 5 9.208 4.327 -19.661 133 H ARG 6 HN ARG 6 11.697 7.742 -20.522 134 HA ARG 6 HA ARG 6 12.230 10.229 -19.082 135 HB2 ARG 6 HB2 ARG 6 13.678 8.932 -21.437 136 HB3 ARG 6 HB1 ARG 6 14.234 10.337 -20.527 137 HG2 ARG 6 HG2 ARG 6 14.537 8.963 -18.519 138 HG3 ARG 6 HG1 ARG 6 13.868 7.551 -19.347 139 HD2 ARG 6 HD2 ARG 6 15.741 7.539 -20.906 140 HD3 ARG 6 HD1 ARG 6 16.390 9.019 -20.191 141 HE ARG 6 HE ARG 6 16.097 6.728 -18.408 142 HH11 ARG 6 HH11 ARG 6 18.285 8.599 -20.422 143 HH12 ARG 6 HH12 ARG 6 19.708 7.952 -19.681 144 HH21 ARG 6 HH21 ARG 6 17.973 5.878 -17.458 145 HH22 ARG 6 HH22 ARG 6 19.528 6.417 -18.004 146 H PHE 7 HN PHE 7 11.118 11.974 -19.707 147 HA PHE 7 HA PHE 7 10.056 12.249 -22.456 148 HB2 PHE 7 HB2 PHE 7 9.293 13.793 -19.929 149 HB3 PHE 7 HB1 PHE 7 8.523 13.929 -21.508 150 HD1 PHE 7 HD1 PHE 7 7.078 12.103 -22.370 151 HD2 PHE 7 HD2 PHE 7 8.823 11.930 -18.476 152 HE1 PHE 7 HE1 PHE 7 5.540 10.271 -21.766 153 HE2 PHE 7 HE2 PHE 7 7.294 10.108 -17.892 154 HZ PHE 7 HZ PHE 7 5.653 9.270 -19.518 155 H PHE 8 HN PHE 8 10.701 13.930 -23.729 156 HA PHE 8 HA PHE 8 12.501 15.992 -22.596 157 HB2 PHE 8 HB2 PHE 8 12.965 14.542 -25.242 158 HB3 PHE 8 HB1 PHE 8 13.959 15.845 -24.585 159 HD1 PHE 8 HD1 PHE 8 15.118 15.452 -22.312 160 HD2 PHE 8 HD2 PHE 8 13.425 12.295 -24.638 161 HE1 PHE 8 HE1 PHE 8 16.393 13.800 -21.005 162 HE2 PHE 8 HE2 PHE 8 14.702 10.661 -23.349 163 HZ PHE 8 HZ PHE 8 16.178 11.401 -21.512 164 H ALA 9 HN ALA 9 12.702 17.886 -23.871 165 HA ALA 9 HA ALA 9 11.923 19.719 -24.836 166 HB1 ALA 9 HB1 ALA 9 10.806 17.761 -26.831 167 HB2 ALA 9 HB2 ALA 9 12.418 18.478 -26.848 168 HB3 ALA 9 HB3 ALA 9 11.000 19.494 -27.107 169 H THR 10 HN THR 10 9.006 18.911 -26.372 170 HA THR 10 HA THR 10 7.435 20.459 -24.581 171 HB THR 10 HB THR 10 6.365 18.658 -26.801 172 HG1 THR 10 HG1 THR 10 7.458 21.285 -26.962 173 HG21 THR 10 HG21 THR 10 4.634 19.658 -25.316 174 HG22 THR 10 HG22 THR 10 4.553 20.330 -26.943 175 HG23 THR 10 HG23 THR 10 5.289 21.270 -25.645 176 H PHE 11 HN PHE 11 7.554 16.963 -25.361 177 HA PHE 11 HA PHE 11 5.411 16.089 -23.753 178 HB2 PHE 11 HB2 PHE 11 7.922 14.623 -24.691 179 HB3 PHE 11 HB1 PHE 11 6.641 13.819 -23.798 180 HD1 PHE 11 HD1 PHE 11 5.197 16.236 -26.019 181 HD2 PHE 11 HD2 PHE 11 6.912 12.318 -25.933 182 HE1 PHE 11 HE1 PHE 11 4.064 15.671 -28.125 183 HE2 PHE 11 HE2 PHE 11 5.760 11.775 -28.042 184 HZ PHE 11 HZ PHE 11 4.330 13.444 -29.129 185 H ARG 12 HN ARG 12 8.705 16.952 -22.919 186 HA ARG 12 HA ARG 12 8.881 15.808 -20.337 187 HB2 ARG 12 HB2 ARG 12 10.854 16.609 -21.510 188 HB3 ARG 12 HB1 ARG 12 10.233 18.253 -21.498 189 HG2 ARG 12 HG2 ARG 12 10.367 18.213 -18.989 190 HG3 ARG 12 HG1 ARG 12 11.125 16.630 -19.092 191 HD2 ARG 12 HD2 ARG 12 12.769 18.492 -18.798 192 HD3 ARG 12 HD1 ARG 12 13.036 17.557 -20.270 193 HE ARG 12 HE ARG 12 12.392 19.373 -21.563 194 HH11 ARG 12 HH11 ARG 12 11.904 20.200 -18.173 195 HH12 ARG 12 HH12 ARG 12 11.820 21.902 -18.489 196 HH21 ARG 12 HH21 ARG 12 12.282 21.606 -21.935 197 HH22 ARG 12 HH22 ARG 12 12.039 22.695 -20.609 198 H GLU 13 HN GLU 13 8.034 19.123 -21.379 199 HA GLU 13 HA GLU 13 7.471 19.996 -18.693 200 HB2 GLU 13 HB2 GLU 13 6.853 22.163 -19.734 201 HB3 GLU 13 HB1 GLU 13 8.434 21.590 -20.226 202 HG2 GLU 13 HG2 GLU 13 7.585 22.420 -22.215 203 HG3 GLU 13 HG1 GLU 13 7.217 20.706 -22.352 204 H VAL 14 HN VAL 14 5.591 18.524 -21.181 205 HA VAL 14 HA VAL 14 2.966 19.072 -20.273 206 HB VAL 14 HB VAL 14 4.112 16.570 -21.608 207 HG11 VAL 14 HG11 VAL 14 1.758 15.919 -22.089 208 HG12 VAL 14 HG12 VAL 14 1.201 17.222 -21.040 209 HG13 VAL 14 HG13 VAL 14 2.139 15.886 -20.367 210 HG21 VAL 14 HG21 VAL 14 2.429 18.821 -22.777 211 HG22 VAL 14 HG22 VAL 14 2.991 17.391 -23.651 212 HG23 VAL 14 HG23 VAL 14 4.153 18.572 -23.046 213 H VAL 15 HN VAL 15 5.159 16.383 -19.540 214 HA VAL 15 HA VAL 15 3.551 15.311 -17.398 215 HB VAL 15 HB VAL 15 6.371 14.592 -18.341 216 HG11 VAL 15 HG11 VAL 15 4.505 12.968 -16.565 217 HG12 VAL 15 HG12 VAL 15 5.981 13.772 -16.040 218 HG13 VAL 15 HG13 VAL 15 6.073 12.433 -17.182 219 HG21 VAL 15 HG21 VAL 15 4.681 14.298 -20.115 220 HG22 VAL 15 HG22 VAL 15 3.683 13.325 -19.029 221 HG23 VAL 15 HG23 VAL 15 5.260 12.729 -19.553 222 H GLY 16 HN GLY 16 5.910 17.767 -17.672 223 HA2 GLY 16 HA2 GLY 16 6.637 19.325 -16.162 224 HA3 GLY 16 HA1 GLY 16 5.708 18.517 -14.911 225 H GLN 17 HN GLN 17 7.977 16.633 -16.735 226 HA GLN 17 HA GLN 17 10.245 16.837 -15.036 227 HB2 GLN 17 HB2 GLN 17 9.944 14.452 -14.008 228 HB3 GLN 17 HB1 GLN 17 9.078 15.796 -13.278 229 HG2 GLN 17 HG2 GLN 17 7.119 15.050 -14.871 230 HG3 GLN 17 HG1 GLN 17 7.992 13.522 -14.925 231 HE21 GLN 17 HE21 GLN 17 6.134 12.552 -13.920 232 HE22 GLN 17 HE22 GLN 17 5.854 12.726 -12.226 233 H LYS 18 HN LYS 18 11.942 15.297 -15.600 234 HA LYS 18 HA LYS 18 11.835 14.916 -18.501 235 HB2 LYS 18 HB2 LYS 18 14.310 14.881 -18.393 236 HB3 LYS 18 HB1 LYS 18 13.622 16.336 -17.683 237 HG2 LYS 18 HG2 LYS 18 14.023 15.489 -15.428 238 HG3 LYS 18 HG1 LYS 18 14.599 13.946 -16.071 239 HD2 LYS 18 HD2 LYS 18 15.923 16.652 -16.559 240 HD3 LYS 18 HD1 LYS 18 16.456 15.469 -15.360 241 HE2 LYS 18 HE2 LYS 18 16.923 13.845 -17.165 242 HE3 LYS 18 HE1 LYS 18 16.367 15.010 -18.371 243 HZ1 LYS 18 HZ1 LYS 18 18.704 15.322 -16.569 244 HZ2 LYS 18 HZ2 LYS 18 18.171 16.481 -17.679 245 HZ3 LYS 18 HZ3 LYS 18 18.755 14.988 -18.225 246 H SER 19 HN SER 19 12.079 12.943 -15.634 247 HA SER 19 HA SER 19 11.822 10.531 -17.261 248 HB2 SER 19 HB2 SER 19 14.029 10.534 -15.145 249 HB3 SER 19 HB1 SER 19 13.693 9.316 -16.367 250 HG SER 19 HG SER 19 14.217 11.145 -17.897 251 H ILE 20 HN ILE 20 10.553 9.070 -16.208 252 HA ILE 20 HA ILE 20 10.047 9.305 -13.299 253 HB ILE 20 HB ILE 20 7.664 8.852 -13.614 254 HG12 ILE 20 HG12 ILE 20 8.271 8.775 -16.609 255 HG13 ILE 20 HG11 ILE 20 7.757 7.410 -15.615 256 HG21 ILE 20 HG21 ILE 20 6.915 10.935 -14.701 257 HG22 ILE 20 HG22 ILE 20 8.501 11.120 -15.454 258 HG23 ILE 20 HG23 ILE 20 8.342 11.219 -13.698 259 HD11 ILE 20 HD11 ILE 20 6.105 9.835 -16.312 260 HD12 ILE 20 HD12 ILE 20 5.587 8.528 -15.243 261 HD13 ILE 20 HD13 ILE 20 5.920 8.201 -16.944 262 H TYR 21 HN TYR 21 8.867 7.212 -12.565 263 HA TYR 21 HA TYR 21 9.686 4.846 -14.153 264 HB2 TYR 21 HB2 TYR 21 9.552 5.124 -11.108 265 HB3 TYR 21 HB1 TYR 21 9.822 3.609 -11.967 266 HD1 TYR 21 HD2 TYR 21 11.925 3.333 -13.374 267 HD2 TYR 21 HD1 TYR 21 11.406 6.658 -10.737 268 HE1 TYR 21 HE2 TYR 21 14.341 3.760 -13.429 269 HE2 TYR 21 HE1 TYR 21 13.823 7.080 -10.802 270 HH TYR 21 HH TYR 21 15.890 5.622 -13.070 271 H TRP 22 HN TRP 22 7.922 4.178 -15.103 272 HA TRP 22 HA TRP 22 5.271 4.161 -13.836 273 HB2 TRP 22 HB2 TRP 22 6.287 4.282 -16.602 274 HB3 TRP 22 HB1 TRP 22 5.111 2.990 -16.443 275 HD1 TRP 22 HD1 TRP 22 4.953 6.563 -14.876 276 HE1 TRP 22 HE1 TRP 22 2.821 7.693 -15.764 277 HE3 TRP 22 HE3 TRP 22 3.297 2.860 -17.940 278 HZ2 TRP 22 HZ2 TRP 22 0.705 7.090 -17.528 279 HZ3 TRP 22 HZ3 TRP 22 1.201 3.202 -19.180 280 HH2 TRP 22 HH2 TRP 22 -0.055 5.271 -18.960 281 H ARG 23 HN ARG 23 4.014 2.089 -14.476 282 HA ARG 23 HA ARG 23 5.523 -0.362 -14.687 283 HB2 ARG 23 HB2 ARG 23 5.667 -0.018 -12.274 284 HB3 ARG 23 HB1 ARG 23 3.933 0.270 -12.161 285 HG2 ARG 23 HG2 ARG 23 3.430 -2.034 -12.619 286 HG3 ARG 23 HG1 ARG 23 5.096 -2.386 -13.084 287 HD2 ARG 23 HD2 ARG 23 5.863 -2.210 -10.838 288 HD3 ARG 23 HD1 ARG 23 4.367 -1.448 -10.300 289 HE ARG 23 HE ARG 23 3.497 -3.835 -11.154 290 HH11 ARG 23 HH11 ARG 23 6.213 -3.088 -9.080 291 HH12 ARG 23 HH12 ARG 23 5.954 -4.453 -8.049 292 HH21 ARG 23 HH21 ARG 23 3.146 -5.604 -9.789 293 HH22 ARG 23 HH22 ARG 23 4.204 -5.876 -8.440 294 H VAL 24 HN VAL 24 4.479 -1.133 -16.339 295 HA VAL 24 HA VAL 24 1.504 -1.232 -16.364 296 HB VAL 24 HB VAL 24 1.707 -1.598 -18.858 297 HG11 VAL 24 HG11 VAL 24 2.893 1.029 -17.908 298 HG12 VAL 24 HG12 VAL 24 1.175 0.640 -18.011 299 HG13 VAL 24 HG13 VAL 24 2.143 0.738 -19.482 300 HG21 VAL 24 HG21 VAL 24 4.636 -0.861 -18.477 301 HG22 VAL 24 HG22 VAL 24 3.822 -1.052 -20.032 302 HG23 VAL 24 HG23 VAL 24 4.021 -2.441 -18.964 303 H ASP 25 HN ASP 25 0.840 -3.200 -17.830 304 HA ASP 25 HA ASP 25 1.458 -5.617 -16.597 305 HB2 ASP 25 HB2 ASP 25 -0.566 -5.091 -18.028 306 HB3 ASP 25 HB1 ASP 25 0.445 -5.268 -19.459 307 H ASP 26 HN ASP 26 2.737 -7.453 -17.310 308 HA ASP 26 HA ASP 26 5.362 -6.696 -18.101 309 HB2 ASP 26 HB2 ASP 26 4.848 -8.525 -16.501 310 HB3 ASP 26 HB1 ASP 26 4.162 -9.474 -17.813 311 H ASP 27 HN ASP 27 2.615 -7.931 -19.884 312 HA ASP 27 HA ASP 27 4.102 -8.658 -22.288 313 HB2 ASP 27 HB2 ASP 27 2.016 -9.869 -21.777 314 HB3 ASP 27 HB1 ASP 27 1.104 -8.365 -21.753 315 H ALA 28 HN ALA 28 2.678 -5.801 -20.941 316 HA ALA 28 HA ALA 28 1.898 -4.417 -23.281 317 HB1 ALA 28 HB1 ALA 28 1.035 -3.792 -21.093 318 HB2 ALA 28 HB2 ALA 28 1.831 -2.408 -21.845 319 HB3 ALA 28 HB3 ALA 28 2.643 -3.303 -20.559 320 H THR 29 HN THR 29 2.986 -3.229 -24.701 321 HA THR 29 HA THR 29 5.921 -2.976 -24.443 322 HB THR 29 HB THR 29 6.013 -3.145 -26.912 323 HG1 THR 29 HG1 THR 29 3.290 -3.975 -26.888 324 HG21 THR 29 HG21 THR 29 4.540 -5.476 -25.627 325 HG22 THR 29 HG22 THR 29 6.287 -5.217 -25.609 326 HG23 THR 29 HG23 THR 29 5.458 -5.547 -27.133 327 H VAL 30 HN VAL 30 6.432 -1.256 -26.592 328 HA VAL 30 HA VAL 30 6.413 1.173 -25.258 329 HB VAL 30 HB VAL 30 6.620 0.916 -28.297 330 HG11 VAL 30 HG11 VAL 30 7.733 3.059 -26.433 331 HG12 VAL 30 HG12 VAL 30 6.389 3.255 -27.560 332 HG13 VAL 30 HG13 VAL 30 8.016 2.968 -28.176 333 HG21 VAL 30 HG21 VAL 30 9.052 0.697 -28.022 334 HG22 VAL 30 HG22 VAL 30 8.196 -0.639 -27.250 335 HG23 VAL 30 HG23 VAL 30 8.859 0.667 -26.265 336 H GLY 31 HN GLY 31 4.210 0.034 -27.744 337 HA2 GLY 31 HA2 GLY 31 2.723 2.390 -28.151 338 HA3 GLY 31 HA1 GLY 31 2.201 0.752 -28.534 339 H ASP 32 HN ASP 32 2.208 -0.424 -26.031 340 HA ASP 32 HA ASP 32 -0.281 0.354 -24.931 341 HB2 ASP 32 HB2 ASP 32 1.897 -1.428 -23.764 342 HB3 ASP 32 HB1 ASP 32 0.295 -1.233 -23.050 343 H VAL 33 HN VAL 33 3.020 1.101 -24.063 344 HA VAL 33 HA VAL 33 2.576 2.417 -21.595 345 HB VAL 33 HB VAL 33 4.789 2.736 -23.680 346 HG11 VAL 33 HG11 VAL 33 6.152 3.800 -21.908 347 HG12 VAL 33 HG12 VAL 33 4.753 3.796 -20.831 348 HG13 VAL 33 HG13 VAL 33 4.730 4.764 -22.306 349 HG21 VAL 33 HG21 VAL 33 4.655 0.480 -22.691 350 HG22 VAL 33 HG22 VAL 33 4.736 1.167 -21.068 351 HG23 VAL 33 HG23 VAL 33 6.122 1.307 -22.155 352 H LEU 34 HN LEU 34 3.005 3.808 -24.911 353 HA LEU 34 HA LEU 34 2.492 6.444 -23.968 354 HB2 LEU 34 HB2 LEU 34 2.557 7.107 -26.429 355 HB3 LEU 34 HB1 LEU 34 3.999 6.418 -25.712 356 HG LEU 34 HG LEU 34 3.233 4.186 -26.841 357 HD11 LEU 34 HD11 LEU 34 1.659 6.108 -28.562 358 HD12 LEU 34 HD12 LEU 34 0.971 4.885 -27.484 359 HD13 LEU 34 HD13 LEU 34 1.935 4.391 -28.874 360 HD21 LEU 34 HD21 LEU 34 4.253 6.493 -28.533 361 HD22 LEU 34 HD22 LEU 34 4.407 4.778 -28.928 362 HD23 LEU 34 HD23 LEU 34 5.234 5.432 -27.516 363 H ARG 35 HN ARG 35 0.281 4.045 -25.417 364 HA ARG 35 HA ARG 35 -1.838 5.912 -25.862 365 HB2 ARG 35 HB2 ARG 35 -3.403 3.945 -25.933 366 HB3 ARG 35 HB1 ARG 35 -2.039 3.838 -27.020 367 HG2 ARG 35 HG2 ARG 35 -2.159 1.670 -26.279 368 HG3 ARG 35 HG1 ARG 35 -0.984 2.334 -25.155 369 HD2 ARG 35 HD2 ARG 35 -2.703 2.520 -23.422 370 HD3 ARG 35 HD1 ARG 35 -3.936 1.954 -24.557 371 HE ARG 35 HE ARG 35 -2.037 -0.017 -24.581 372 HH11 ARG 35 HH11 ARG 35 -4.056 1.375 -22.067 373 HH12 ARG 35 HH12 ARG 35 -4.001 -0.048 -21.076 374 HH21 ARG 35 HH21 ARG 35 -1.951 -1.852 -23.277 375 HH22 ARG 35 HH22 ARG 35 -2.798 -1.875 -21.763 376 H SER 36 HN SER 36 -0.814 4.067 -23.058 377 HA SER 36 HA SER 36 -2.999 4.845 -21.362 378 HB2 SER 36 HB2 SER 36 -0.288 3.639 -20.704 379 HB3 SER 36 HB1 SER 36 -1.604 3.850 -19.547 380 HG SER 36 HG SER 36 -1.230 1.895 -21.343 381 H LEU 37 HN LEU 37 0.215 6.179 -22.099 382 HA LEU 37 HA LEU 37 0.421 8.084 -20.042 383 HB2 LEU 37 HB2 LEU 37 1.697 7.750 -22.713 384 HB3 LEU 37 HB1 LEU 37 1.647 9.407 -22.165 385 HG LEU 37 HG LEU 37 3.771 8.491 -21.551 386 HD11 LEU 37 HD11 LEU 37 3.809 8.833 -19.132 387 HD12 LEU 37 HD12 LEU 37 2.053 8.662 -19.053 388 HD13 LEU 37 HD13 LEU 37 2.773 10.028 -19.912 389 HD21 LEU 37 HD21 LEU 37 2.265 6.249 -20.221 390 HD22 LEU 37 HD22 LEU 37 3.993 6.541 -20.058 391 HD23 LEU 37 HD23 LEU 37 3.315 6.157 -21.633 392 H GLU 38 HN GLU 38 -1.027 8.480 -23.321 393 HA GLU 38 HA GLU 38 -1.925 11.138 -22.826 394 HB2 GLU 38 HB2 GLU 38 -3.428 10.848 -24.800 395 HB3 GLU 38 HB1 GLU 38 -1.725 10.565 -25.107 396 HG2 GLU 38 HG2 GLU 38 -2.016 8.250 -25.392 397 HG3 GLU 38 HG1 GLU 38 -3.599 8.257 -24.588 398 H ALA 39 HN ALA 39 -3.246 8.046 -21.986 399 HA ALA 39 HA ALA 39 -5.954 8.802 -21.582 400 HB1 ALA 39 HB1 ALA 39 -4.367 6.586 -20.222 401 HB2 ALA 39 HB2 ALA 39 -5.211 6.448 -21.764 402 HB3 ALA 39 HB3 ALA 39 -6.130 6.715 -20.283 403 H GLU 40 HN GLU 40 -3.040 9.346 -19.755 404 HA GLU 40 HA GLU 40 -4.484 10.410 -17.420 405 HB2 GLU 40 HB2 GLU 40 -1.475 10.506 -17.812 406 HB3 GLU 40 HB1 GLU 40 -2.398 10.538 -16.307 407 HG2 GLU 40 HG2 GLU 40 -3.077 8.123 -16.894 408 HG3 GLU 40 HG1 GLU 40 -1.818 8.196 -18.122 409 H TYR 41 HN TYR 41 -2.034 11.431 -19.773 410 HA TYR 41 HA TYR 41 -2.256 14.221 -19.034 411 HB2 TYR 41 HB2 TYR 41 -0.276 12.758 -20.825 412 HB3 TYR 41 HB1 TYR 41 -0.198 14.482 -20.457 413 HD1 TYR 41 HD1 TYR 41 0.418 15.249 -18.170 414 HD2 TYR 41 HD2 TYR 41 0.407 11.084 -19.133 415 HE1 TYR 41 HE1 TYR 41 1.702 14.774 -16.131 416 HE2 TYR 41 HE2 TYR 41 1.697 10.613 -17.088 417 HH TYR 41 HH TYR 41 2.136 12.940 -14.607 418 H ASP 42 HN ASP 42 -3.824 15.312 -20.037 419 HA ASP 42 HA ASP 42 -4.805 14.917 -22.681 420 HB2 ASP 42 HB2 ASP 42 -4.915 17.434 -20.950 421 HB3 ASP 42 HB1 ASP 42 -5.890 17.141 -22.388 422 H GLY 43 HN GLY 43 -2.136 16.689 -21.316 423 HA2 GLY 43 HA2 GLY 43 -1.371 18.328 -23.507 424 HA3 GLY 43 HA1 GLY 43 -0.330 17.795 -22.191 425 H LEU 44 HN LEU 44 -1.072 14.906 -22.999 426 HA LEU 44 HA LEU 44 0.860 14.612 -25.224 427 HB2 LEU 44 HB2 LEU 44 -0.102 12.636 -23.107 428 HB3 LEU 44 HB1 LEU 44 0.910 12.174 -24.469 429 HG LEU 44 HG LEU 44 1.691 14.107 -22.253 430 HD11 LEU 44 HD11 LEU 44 2.706 11.304 -22.801 431 HD12 LEU 44 HD12 LEU 44 1.664 11.797 -21.464 432 HD13 LEU 44 HD13 LEU 44 3.313 12.408 -21.560 433 HD21 LEU 44 HD21 LEU 44 3.942 14.108 -23.270 434 HD22 LEU 44 HD22 LEU 44 2.731 14.793 -24.348 435 HD23 LEU 44 HD23 LEU 44 3.330 13.155 -24.625 436 H ALA 45 HN ALA 45 -2.499 14.557 -24.682 437 HA ALA 45 HA ALA 45 -3.315 12.192 -25.948 438 HB1 ALA 45 HB1 ALA 45 -4.783 13.540 -24.497 439 HB2 ALA 45 HB2 ALA 45 -5.543 13.185 -26.049 440 HB3 ALA 45 HB3 ALA 45 -4.870 14.787 -25.743 441 H GLY 46 HN GLY 46 -3.150 11.547 -27.978 442 HA2 GLY 46 HA2 GLY 46 -3.460 11.444 -30.240 443 HA3 GLY 46 HA1 GLY 46 -4.135 13.056 -30.195 444 H ARG 47 HN ARG 47 -0.972 12.893 -28.858 445 HA ARG 47 HA ARG 47 0.243 13.814 -31.415 446 HB2 ARG 47 HB2 ARG 47 1.517 15.472 -30.261 447 HB3 ARG 47 HB1 ARG 47 -0.144 15.646 -29.724 448 HG2 ARG 47 HG2 ARG 47 0.520 14.284 -27.687 449 HG3 ARG 47 HG1 ARG 47 2.188 14.460 -28.213 450 HD2 ARG 47 HD2 ARG 47 0.262 16.648 -27.395 451 HD3 ARG 47 HD1 ARG 47 1.719 16.137 -26.551 452 HE ARG 47 HE ARG 47 2.367 17.029 -29.158 453 HH11 ARG 47 HH11 ARG 47 1.437 18.289 -26.001 454 HH12 ARG 47 HH12 ARG 47 2.133 19.848 -26.292 455 HH21 ARG 47 HH21 ARG 47 3.256 19.067 -29.516 456 HH22 ARG 47 HH22 ARG 47 3.170 20.288 -28.292 457 H LEU 48 HN LEU 48 0.562 11.762 -28.612 458 HA LEU 48 HA LEU 48 3.132 10.709 -29.634 459 HB2 LEU 48 HB2 LEU 48 3.514 9.693 -27.563 460 HB3 LEU 48 HB1 LEU 48 2.890 11.274 -27.154 461 HG LEU 48 HG LEU 48 1.621 8.547 -26.780 462 HD11 LEU 48 HD11 LEU 48 2.153 10.806 -24.835 463 HD12 LEU 48 HD12 LEU 48 3.112 9.332 -25.015 464 HD13 LEU 48 HD13 LEU 48 1.449 9.230 -24.445 465 HD21 LEU 48 HD21 LEU 48 -0.135 9.949 -27.726 466 HD22 LEU 48 HD22 LEU 48 0.136 11.135 -26.449 467 HD23 LEU 48 HD23 LEU 48 -0.437 9.520 -26.047 468 H ILE 49 HN ILE 49 0.038 10.350 -30.332 469 HA ILE 49 HA ILE 49 0.487 7.681 -31.477 470 HB ILE 49 HB ILE 49 -2.095 8.530 -30.115 471 HG12 ILE 49 HG12 ILE 49 -0.204 6.214 -29.582 472 HG13 ILE 49 HG11 ILE 49 -0.511 7.594 -28.529 473 HG21 ILE 49 HG21 ILE 49 -3.089 6.375 -30.924 474 HG22 ILE 49 HG22 ILE 49 -1.617 6.037 -31.834 475 HG23 ILE 49 HG23 ILE 49 -2.634 7.407 -32.279 476 HD11 ILE 49 HD11 ILE 49 -1.604 5.622 -27.736 477 HD12 ILE 49 HD12 ILE 49 -2.467 5.423 -29.252 478 HD13 ILE 49 HD13 ILE 49 -2.809 6.812 -28.210 479 H GLU 50 HN GLU 50 -0.144 7.620 -33.645 480 HA GLU 50 HA GLU 50 -2.388 9.210 -34.597 481 HB2 GLU 50 HB2 GLU 50 -0.180 10.566 -34.959 482 HB3 GLU 50 HB1 GLU 50 0.210 9.382 -36.190 483 HG2 GLU 50 HG2 GLU 50 -2.291 11.113 -36.231 484 HG3 GLU 50 HG1 GLU 50 -0.775 11.576 -36.994 485 H ASP 51 HN ASP 51 -3.603 7.810 -35.713 486 HA ASP 51 HA ASP 51 -4.366 6.081 -36.979 487 HB2 ASP 51 HB2 ASP 51 -2.862 7.245 -38.666 488 HB3 ASP 51 HB1 ASP 51 -1.585 6.110 -38.250 489 H GLY 52 HN GLY 52 -3.123 5.515 -34.410 490 HA2 GLY 52 HA2 GLY 52 -3.043 3.600 -33.124 491 HA3 GLY 52 HA1 GLY 52 -3.061 2.623 -34.580 492 H GLU 53 HN GLU 53 -0.571 4.688 -35.154 493 HA GLU 53 HA GLU 53 1.482 3.011 -33.806 494 HB2 GLU 53 HB2 GLU 53 3.082 3.804 -35.486 495 HB3 GLU 53 HB1 GLU 53 1.703 3.028 -36.261 496 HG2 GLU 53 HG2 GLU 53 0.895 5.005 -37.140 497 HG3 GLU 53 HG1 GLU 53 1.669 6.021 -35.934 498 H VAL 54 HN VAL 54 3.657 4.619 -33.810 499 HA VAL 54 HA VAL 54 3.270 6.131 -31.496 500 HB VAL 54 HB VAL 54 5.631 6.955 -31.789 501 HG11 VAL 54 HG11 VAL 54 6.719 4.739 -31.614 502 HG12 VAL 54 HG12 VAL 54 5.268 3.975 -32.262 503 HG13 VAL 54 HG13 VAL 54 5.209 4.790 -30.699 504 HG21 VAL 54 HG21 VAL 54 5.736 7.183 -34.244 505 HG22 VAL 54 HG22 VAL 54 5.576 5.435 -34.429 506 HG23 VAL 54 HG23 VAL 54 7.021 6.111 -33.671 507 H LYS 55 HN LYS 55 3.927 7.393 -34.825 508 HA LYS 55 HA LYS 55 2.196 9.262 -35.361 509 HB2 LYS 55 HB2 LYS 55 2.172 10.530 -33.344 510 HB3 LYS 55 HB1 LYS 55 3.905 10.490 -33.174 511 HG2 LYS 55 HG2 LYS 55 3.572 12.713 -33.715 512 HG3 LYS 55 HG1 LYS 55 3.872 12.051 -35.315 513 HD2 LYS 55 HD2 LYS 55 1.987 13.601 -35.379 514 HD3 LYS 55 HD1 LYS 55 1.435 11.966 -35.745 515 HE2 LYS 55 HE2 LYS 55 0.580 11.722 -33.458 516 HE3 LYS 55 HE1 LYS 55 1.192 13.321 -33.038 517 HZ1 LYS 55 HZ1 LYS 55 -0.830 12.843 -35.148 518 HZ2 LYS 55 HZ2 LYS 55 -0.360 14.328 -34.486 519 HZ3 LYS 55 HZ3 LYS 55 -1.209 13.213 -33.544 520 HA PRO 56 HA PRO 56 5.407 9.866 -38.590 521 HB2 PRO 56 HB2 PRO 56 4.144 12.116 -39.719 522 HB3 PRO 56 HB1 PRO 56 3.788 10.438 -40.155 523 HG2 PRO 56 HG2 PRO 56 2.378 12.225 -38.167 524 HG3 PRO 56 HG1 PRO 56 1.671 11.176 -39.409 525 HD2 PRO 56 HD2 PRO 56 1.706 10.351 -36.909 526 HD3 PRO 56 HD1 PRO 56 2.164 9.201 -38.193 527 H HIS 57 HN HIS 57 7.279 10.883 -38.174 528 HA HIS 57 HA HIS 57 8.837 12.484 -37.870 529 HB2 HIS 57 HB2 HIS 57 6.555 14.481 -37.584 530 HB3 HIS 57 HB1 HIS 57 8.259 14.911 -37.652 531 HD1 HIS 57 HD1 HIS 57 8.883 15.749 -39.903 532 HD2 HIS 57 HD2 HIS 57 5.867 12.907 -40.122 533 HE1 HIS 57 HE1 HIS 57 8.287 15.594 -42.335 534 HE2 HIS 57 HE2 HIS 57 6.266 14.097 -42.373 535 H VAL 58 HN VAL 58 6.713 11.570 -35.408 536 HA VAL 58 HA VAL 58 7.943 13.040 -33.245 537 HB VAL 58 HB VAL 58 5.615 11.766 -33.214 538 HG11 VAL 58 HG11 VAL 58 5.622 9.541 -32.193 539 HG12 VAL 58 HG12 VAL 58 7.386 9.503 -32.232 540 HG13 VAL 58 HG13 VAL 58 6.471 9.507 -33.742 541 HG21 VAL 58 HG21 VAL 58 7.438 11.664 -30.788 542 HG22 VAL 58 HG22 VAL 58 5.671 11.601 -30.756 543 HG23 VAL 58 HG23 VAL 58 6.492 13.057 -31.316 544 H ASN 59 HN ASN 59 9.657 12.325 -31.874 545 HA ASN 59 HA ASN 59 11.237 10.034 -32.925 546 HB2 ASN 59 HB2 ASN 59 12.188 12.505 -31.407 547 HB3 ASN 59 HB1 ASN 59 13.211 11.150 -31.872 548 HD21 ASN 59 HD21 ASN 59 14.535 12.026 -33.300 549 HD22 ASN 59 HD22 ASN 59 14.082 12.892 -34.723 550 H VAL 60 HN VAL 60 10.657 8.338 -31.727 551 HA VAL 60 HA VAL 60 10.767 8.575 -28.771 552 HB VAL 60 HB VAL 60 9.257 6.496 -28.768 553 HG11 VAL 60 HG11 VAL 60 8.062 9.127 -29.775 554 HG12 VAL 60 HG12 VAL 60 8.442 8.747 -28.093 555 HG13 VAL 60 HG13 VAL 60 7.172 7.852 -28.932 556 HG21 VAL 60 HG21 VAL 60 9.469 5.887 -31.146 557 HG22 VAL 60 HG22 VAL 60 8.677 7.391 -31.618 558 HG23 VAL 60 HG23 VAL 60 7.782 6.165 -30.714 559 H LEU 61 HN LEU 61 11.871 7.052 -27.676 560 HA LEU 61 HA LEU 61 13.823 5.451 -29.195 561 HB2 LEU 61 HB2 LEU 61 14.357 7.438 -26.960 562 HB3 LEU 61 HB1 LEU 61 15.541 6.258 -27.481 563 HG LEU 61 HG LEU 61 15.407 7.389 -29.774 564 HD11 LEU 61 HD11 LEU 61 14.722 9.757 -29.820 565 HD12 LEU 61 HD12 LEU 61 13.939 9.503 -28.256 566 HD13 LEU 61 HD13 LEU 61 13.403 8.610 -29.675 567 HD21 LEU 61 HD21 LEU 61 16.983 9.176 -29.182 568 HD22 LEU 61 HD22 LEU 61 17.341 7.697 -28.297 569 HD23 LEU 61 HD23 LEU 61 16.515 9.029 -27.485 570 H LYS 62 HN LYS 62 14.349 3.522 -28.297 571 HA LYS 62 HA LYS 62 13.675 2.921 -25.487 572 HB2 LYS 62 HB2 LYS 62 12.525 1.332 -26.855 573 HB3 LYS 62 HB1 LYS 62 13.884 1.164 -27.958 574 HG2 LYS 62 HG2 LYS 62 13.550 -0.837 -26.568 575 HG3 LYS 62 HG1 LYS 62 15.140 -0.104 -26.332 576 HD2 LYS 62 HD2 LYS 62 14.209 1.028 -24.266 577 HD3 LYS 62 HD1 LYS 62 12.744 0.066 -24.481 578 HE2 LYS 62 HE2 LYS 62 15.546 -0.990 -24.027 579 HE3 LYS 62 HE1 LYS 62 14.218 -0.979 -22.880 580 HZ1 LYS 62 HZ1 LYS 62 13.000 -2.502 -24.293 581 HZ2 LYS 62 HZ2 LYS 62 14.503 -3.147 -23.867 582 HZ3 LYS 62 HZ3 LYS 62 14.266 -2.506 -25.414 583 H ASN 63 HN ASN 63 15.441 3.373 -24.313 584 HA ASN 63 HA ASN 63 17.541 3.380 -23.446 585 HB2 ASN 63 HB2 ASN 63 17.115 0.888 -23.653 586 HB3 ASN 63 HB1 ASN 63 17.939 0.906 -25.207 587 HD21 ASN 63 HD21 ASN 63 18.339 1.237 -21.732 588 HD22 ASN 63 HD22 ASN 63 20.046 0.958 -21.706 589 H GLY 64 HN GLY 64 17.043 5.024 -25.699 590 HA2 GLY 64 HA2 GLY 64 18.354 6.650 -26.727 591 HA3 GLY 64 HA1 GLY 64 19.766 5.619 -26.575 592 H ARG 65 HN ARG 65 17.833 3.442 -27.827 593 HA ARG 65 HA ARG 65 18.558 3.977 -30.610 594 HB2 ARG 65 HB2 ARG 65 18.959 1.717 -29.692 595 HB3 ARG 65 HB1 ARG 65 17.246 1.529 -29.338 596 HG2 ARG 65 HG2 ARG 65 17.850 0.310 -31.377 597 HG3 ARG 65 HG1 ARG 65 16.721 1.612 -31.749 598 HD2 ARG 65 HD2 ARG 65 18.515 1.455 -33.438 599 HD3 ARG 65 HD1 ARG 65 18.567 3.000 -32.591 600 HE ARG 65 HE ARG 65 20.481 2.266 -31.384 601 HH11 ARG 65 HH11 ARG 65 19.578 0.034 -33.944 602 HH12 ARG 65 HH12 ARG 65 21.149 -0.690 -34.024 603 HH21 ARG 65 HH21 ARG 65 22.526 1.324 -31.511 604 HH22 ARG 65 HH22 ARG 65 22.824 0.048 -32.646 605 H GLU 66 HN GLU 66 17.207 5.205 -31.732 606 HA GLU 66 HA GLU 66 14.600 5.891 -30.868 607 HB2 GLU 66 HB2 GLU 66 16.390 7.234 -32.250 608 HB3 GLU 66 HB1 GLU 66 15.641 6.482 -33.651 609 HG2 GLU 66 HG2 GLU 66 13.483 7.528 -33.056 610 HG3 GLU 66 HG1 GLU 66 14.208 8.209 -31.615 611 H VAL 67 HN VAL 67 12.951 4.483 -30.962 612 HA VAL 67 HA VAL 67 12.962 2.177 -32.628 613 HB VAL 67 HB VAL 67 10.825 1.547 -31.587 614 HG11 VAL 67 HG11 VAL 67 11.624 1.373 -29.238 615 HG12 VAL 67 HG12 VAL 67 12.904 2.540 -29.592 616 HG13 VAL 67 HG13 VAL 67 12.883 0.975 -30.410 617 HG21 VAL 67 HG21 VAL 67 10.945 4.234 -30.137 618 HG22 VAL 67 HG22 VAL 67 9.791 2.933 -29.820 619 HG23 VAL 67 HG23 VAL 67 9.767 3.773 -31.370 620 H VAL 68 HN VAL 68 11.976 5.267 -33.461 621 HA VAL 68 HA VAL 68 9.819 4.602 -35.249 622 HB VAL 68 HB VAL 68 10.121 6.823 -36.218 623 HG11 VAL 68 HG11 VAL 68 10.491 6.886 -33.199 624 HG12 VAL 68 HG12 VAL 68 8.959 6.708 -34.062 625 HG13 VAL 68 HG13 VAL 68 9.869 8.212 -34.184 626 HG21 VAL 68 HG21 VAL 68 11.985 8.329 -35.518 627 HG22 VAL 68 HG22 VAL 68 12.571 6.917 -36.397 628 HG23 VAL 68 HG23 VAL 68 12.727 6.987 -34.641 629 H HIS 69 HN HIS 69 13.152 3.965 -35.339 630 HA HIS 69 HA HIS 69 13.398 3.756 -38.243 631 HB2 HIS 69 HB2 HIS 69 15.323 2.877 -36.042 632 HB3 HIS 69 HB1 HIS 69 15.699 2.954 -37.763 633 HD1 HIS 69 HD1 HIS 69 14.516 5.798 -38.339 634 HD2 HIS 69 HD2 HIS 69 16.952 4.856 -35.100 635 HE1 HIS 69 HE1 HIS 69 15.526 7.981 -37.594 636 HE2 HIS 69 HE2 HIS 69 16.863 7.401 -35.548 637 H LEU 70 HN LEU 70 12.538 1.778 -35.526 638 HA LEU 70 HA LEU 70 12.206 -0.600 -37.235 639 HB2 LEU 70 HB2 LEU 70 12.901 -2.064 -35.377 640 HB3 LEU 70 HB1 LEU 70 14.209 -1.046 -35.930 641 HG LEU 70 HG LEU 70 12.618 -0.259 -33.460 642 HD11 LEU 70 HD11 LEU 70 14.249 -1.439 -32.051 643 HD12 LEU 70 HD12 LEU 70 14.994 -2.146 -33.488 644 HD13 LEU 70 HD13 LEU 70 13.333 -2.561 -33.057 645 HD21 LEU 70 HD21 LEU 70 15.488 0.303 -34.306 646 HD22 LEU 70 HD22 LEU 70 14.712 0.876 -32.827 647 HD23 LEU 70 HD23 LEU 70 14.136 1.438 -34.393 648 H ASP 71 HN ASP 71 11.095 -2.146 -34.941 649 HA ASP 71 HA ASP 71 8.404 -1.439 -34.964 650 HB2 ASP 71 HB2 ASP 71 10.030 -3.044 -32.960 651 HB3 ASP 71 HB1 ASP 71 8.283 -2.868 -32.829 652 H GLY 72 HN GLY 72 7.702 0.533 -34.355 653 HA2 GLY 72 HA2 GLY 72 8.740 1.960 -32.037 654 HA3 GLY 72 HA1 GLY 72 7.493 2.523 -33.132 655 H MET 73 HN MET 73 5.945 0.042 -32.903 656 HA MET 73 HA MET 73 4.435 0.712 -30.513 657 HB2 MET 73 HB2 MET 73 3.945 -1.294 -32.745 658 HB3 MET 73 HB1 MET 73 2.853 -1.064 -31.391 659 HG2 MET 73 HG2 MET 73 3.583 1.235 -33.210 660 HG3 MET 73 HG1 MET 73 2.287 0.116 -33.610 661 HE1 MET 73 HE1 MET 73 2.141 3.381 -30.373 662 HE2 MET 73 HE2 MET 73 3.214 3.338 -31.771 663 HE3 MET 73 HE3 MET 73 3.504 2.266 -30.400 664 H ALA 74 HN ALA 74 6.596 -1.940 -31.533 665 HA ALA 74 HA ALA 74 6.680 -2.997 -28.810 666 HB1 ALA 74 HB1 ALA 74 4.659 -4.109 -29.713 667 HB2 ALA 74 HB2 ALA 74 5.944 -5.270 -29.382 668 HB3 ALA 74 HB3 ALA 74 5.614 -4.771 -31.044 669 H THR 75 HN THR 75 8.891 -2.273 -29.129 670 HA THR 75 HA THR 75 10.588 -3.686 -30.994 671 HB THR 75 HB THR 75 11.232 -1.420 -30.614 672 HG1 THR 75 HG1 THR 75 12.945 -3.053 -30.702 673 HG21 THR 75 HG21 THR 75 11.910 -0.503 -28.438 674 HG22 THR 75 HG22 THR 75 11.501 -2.024 -27.645 675 HG23 THR 75 HG23 THR 75 10.231 -1.042 -28.381 676 H ALA 76 HN ALA 76 10.638 -3.608 -27.320 677 HA ALA 76 HA ALA 76 11.518 -6.270 -26.992 678 HB1 ALA 76 HB1 ALA 76 13.946 -5.932 -26.635 679 HB2 ALA 76 HB2 ALA 76 13.785 -4.229 -27.078 680 HB3 ALA 76 HB3 ALA 76 13.490 -5.487 -28.279 681 H LEU 77 HN LEU 77 9.764 -4.500 -25.533 682 HA LEU 77 HA LEU 77 11.153 -3.286 -23.336 683 HB2 LEU 77 HB2 LEU 77 8.182 -3.616 -23.815 684 HB3 LEU 77 HB1 LEU 77 8.856 -2.808 -22.406 685 HG LEU 77 HG LEU 77 8.755 -1.867 -25.275 686 HD11 LEU 77 HD11 LEU 77 8.277 -0.451 -22.642 687 HD12 LEU 77 HD12 LEU 77 7.038 -1.124 -23.697 688 HD13 LEU 77 HD13 LEU 77 8.025 0.224 -24.250 689 HD21 LEU 77 HD21 LEU 77 10.411 -0.099 -24.815 690 HD22 LEU 77 HD22 LEU 77 11.133 -1.702 -24.816 691 HD23 LEU 77 HD23 LEU 77 10.823 -0.878 -23.284 692 H ASP 78 HN ASP 78 11.097 -3.762 -21.200 693 HA ASP 78 HA ASP 78 10.070 -6.216 -20.072 694 HB2 ASP 78 HB2 ASP 78 12.174 -6.876 -21.409 695 HB3 ASP 78 HB1 ASP 78 13.107 -5.852 -20.325 696 H ASP 79 HN ASP 79 11.408 -6.305 -17.707 697 HA ASP 79 HA ASP 79 10.709 -3.899 -16.350 698 HB2 ASP 79 HB2 ASP 79 10.565 -6.153 -15.303 699 HB3 ASP 79 HB1 ASP 79 12.314 -6.294 -15.356 700 H GLY 80 HN GLY 80 12.021 -2.351 -15.390 701 HA2 GLY 80 HA2 GLY 80 13.791 -0.943 -15.049 702 HA3 GLY 80 HA1 GLY 80 14.869 -2.247 -15.506 703 H ASP 81 HN ASP 81 12.607 -1.674 -17.959 704 HA ASP 81 HA ASP 81 14.724 -0.757 -19.698 705 HB2 ASP 81 HB2 ASP 81 11.905 -1.751 -20.172 706 HB3 ASP 81 HB1 ASP 81 12.812 -0.994 -21.473 707 H ALA 82 HN ALA 82 15.175 1.260 -20.132 708 HA ALA 82 HA ALA 82 13.418 3.430 -19.347 709 HB1 ALA 82 HB1 ALA 82 16.232 3.523 -20.489 710 HB2 ALA 82 HB2 ALA 82 15.793 3.564 -18.779 711 HB3 ALA 82 HB3 ALA 82 15.331 4.897 -19.838 712 H VAL 83 HN VAL 83 11.775 3.774 -20.773 713 HA VAL 83 HA VAL 83 12.279 3.926 -23.672 714 HB VAL 83 HB VAL 83 9.635 4.351 -22.193 715 HG11 VAL 83 HG11 VAL 83 9.651 5.273 -24.488 716 HG12 VAL 83 HG12 VAL 83 8.569 3.885 -24.374 717 HG13 VAL 83 HG13 VAL 83 10.156 3.705 -25.126 718 HG21 VAL 83 HG21 VAL 83 10.454 2.094 -21.678 719 HG22 VAL 83 HG22 VAL 83 10.694 1.761 -23.394 720 HG23 VAL 83 HG23 VAL 83 9.063 2.005 -22.764 721 H SER 84 HN SER 84 13.228 5.788 -24.208 722 HA SER 84 HA SER 84 12.603 8.357 -22.960 723 HB2 SER 84 HB2 SER 84 14.507 7.621 -25.229 724 HB3 SER 84 HB1 SER 84 14.415 9.197 -24.453 725 HG SER 84 HG SER 84 14.734 7.124 -22.688 726 H VAL 85 HN VAL 85 11.628 10.142 -24.174 727 HA VAL 85 HA VAL 85 10.576 9.590 -26.855 728 HB VAL 85 HB VAL 85 8.306 10.335 -26.394 729 HG11 VAL 85 HG11 VAL 85 9.013 8.135 -24.412 730 HG12 VAL 85 HG12 VAL 85 8.660 7.914 -26.127 731 HG13 VAL 85 HG13 VAL 85 7.396 8.483 -25.035 732 HG21 VAL 85 HG21 VAL 85 7.462 10.779 -24.096 733 HG22 VAL 85 HG22 VAL 85 8.677 11.951 -24.610 734 HG23 VAL 85 HG23 VAL 85 9.114 10.659 -23.484 735 H PHE 86 HN PHE 86 10.283 11.370 -28.064 736 HA PHE 86 HA PHE 86 10.705 14.085 -26.975 737 HB2 PHE 86 HB2 PHE 86 11.827 13.038 -29.644 738 HB3 PHE 86 HB1 PHE 86 11.896 14.706 -29.094 739 HD1 PHE 86 HD2 PHE 86 13.015 11.266 -28.114 740 HD2 PHE 86 HD1 PHE 86 13.890 15.455 -28.025 741 HE1 PHE 86 HE2 PHE 86 15.219 10.795 -27.152 742 HE2 PHE 86 HE1 PHE 86 16.110 14.953 -27.073 743 HZ PHE 86 HZ PHE 86 16.766 12.608 -26.649 744 HA PRO 87 HA PRO 87 6.880 14.736 -29.492 745 HB2 PRO 87 HB2 PRO 87 7.161 17.486 -29.840 746 HB3 PRO 87 HB1 PRO 87 6.509 16.742 -28.373 747 HG2 PRO 87 HG2 PRO 87 9.312 17.678 -28.933 748 HG3 PRO 87 HG1 PRO 87 8.309 17.932 -27.493 749 HD2 PRO 87 HD2 PRO 87 10.208 16.069 -27.489 750 HD3 PRO 87 HD1 PRO 87 8.646 15.763 -26.694 751 HA PRO 88 HA PRO 88 8.220 14.847 -33.767 752 HB2 PRO 88 HB2 PRO 88 6.411 16.522 -35.024 753 HB3 PRO 88 HB1 PRO 88 6.034 14.860 -34.534 754 HG2 PRO 88 HG2 PRO 88 5.439 17.440 -33.084 755 HG3 PRO 88 HG1 PRO 88 4.362 16.059 -33.394 756 HD2 PRO 88 HD2 PRO 88 5.560 16.369 -31.011 757 HD3 PRO 88 HD1 PRO 88 5.361 14.747 -31.721 758 H VAL 89 HN VAL 89 9.862 15.896 -34.756 759 HA VAL 89 HA VAL 89 10.841 18.304 -33.446 760 HB VAL 89 HB VAL 89 12.992 17.837 -34.574 761 HG11 VAL 89 HG11 VAL 89 13.510 15.689 -33.464 762 HG12 VAL 89 HG12 VAL 89 11.786 15.357 -33.281 763 HG13 VAL 89 HG13 VAL 89 12.516 16.720 -32.429 764 HG21 VAL 89 HG21 VAL 89 13.292 15.796 -35.968 765 HG22 VAL 89 HG22 VAL 89 12.191 16.949 -36.721 766 HG23 VAL 89 HG23 VAL 89 11.546 15.516 -35.920 767 H ALA 90 HN ALA 90 8.798 17.983 -35.897 768 HA ALA 90 HA ALA 90 9.155 20.688 -36.800 769 HB1 ALA 90 HB1 ALA 90 10.701 19.538 -38.352 770 HB2 ALA 90 HB2 ALA 90 9.306 20.183 -39.216 771 HB3 ALA 90 HB3 ALA 90 9.404 18.454 -38.862 772 H GLY 91 HN GLY 91 7.576 17.554 -37.434 773 HA2 GLY 91 HA2 GLY 91 5.239 17.194 -36.879 774 HA3 GLY 91 HA1 GLY 91 4.895 18.839 -37.399 775 H GLY 92 HN GLY 92 3.220 17.447 -38.643 776 HA2 GLY 92 HA2 GLY 92 2.463 17.156 -40.822 777 HA3 GLY 92 HA1 GLY 92 4.115 17.256 -41.410 Start of MODEL 15 1 H1 GLY -13 HT1 GLY -13 -7.366 -2.739 -0.964 2 H2 GLY -13 HT2 GLY -13 -7.714 -4.377 -0.759 3 H3 GLY -13 HT3 GLY -13 -8.307 -3.548 -2.108 4 HA2 GLY -13 HA1 GLY -13 -5.452 -4.075 -1.518 5 HA3 GLY -13 HA2 GLY -13 -6.423 -4.943 -2.700 6 H GLY -12 HN GLY -12 -5.989 -4.279 -4.722 7 HA2 GLY -12 HA2 GLY -12 -5.779 -2.895 -6.555 8 HA3 GLY -12 HA1 GLY -12 -6.073 -1.504 -5.522 9 H GLY -11 HN GLY -11 -3.595 -4.035 -5.781 10 HA2 GLY -11 HA2 GLY -11 -1.426 -2.125 -5.371 11 HA3 GLY -11 HA1 GLY -11 -1.293 -3.876 -5.458 12 H ARG -10 HN ARG -10 0.557 -3.424 -6.841 13 HA ARG -10 HA ARG -10 0.055 -2.449 -9.562 14 HB2 ARG -10 HB2 ARG -10 2.570 -3.472 -8.176 15 HB3 ARG -10 HB1 ARG -10 2.527 -2.863 -9.829 16 HG2 ARG -10 HG2 ARG -10 1.937 -0.634 -9.040 17 HG3 ARG -10 HG1 ARG -10 1.813 -1.219 -7.377 18 HD2 ARG -10 HD2 ARG -10 4.180 -1.683 -7.291 19 HD3 ARG -10 HD1 ARG -10 4.359 -1.359 -9.015 20 HE ARG -10 HE ARG -10 3.354 0.926 -7.641 21 HH11 ARG -10 HH11 ARG -10 6.329 -0.870 -8.166 22 HH12 ARG -10 HH12 ARG -10 7.333 0.529 -8.011 23 HH21 ARG -10 HH21 ARG -10 4.701 2.745 -7.417 24 HH22 ARG -10 HH22 ARG -10 6.420 2.558 -7.563 25 H ASP -9 HN ASP -9 -1.289 -4.936 -8.690 26 HA ASP -9 HA ASP -9 0.195 -7.158 -9.856 27 HB2 ASP -9 HB2 ASP -9 -2.598 -7.180 -8.643 28 HB3 ASP -9 HB1 ASP -9 -1.596 -8.586 -8.998 29 H TYR -8 HN TYR -8 -3.064 -5.750 -10.253 30 HA TYR -8 HA TYR -8 -4.570 -5.688 -11.933 31 HB2 TYR -8 HB2 TYR -8 -2.118 -5.832 -13.743 32 HB3 TYR -8 HB1 TYR -8 -3.740 -5.407 -14.276 33 HD1 TYR -8 HD1 TYR -8 -4.758 -3.235 -13.639 34 HD2 TYR -8 HD2 TYR -8 -0.758 -4.210 -12.479 35 HE1 TYR -8 HE1 TYR -8 -4.356 -0.893 -13.031 36 HE2 TYR -8 HE2 TYR -8 -0.363 -1.861 -11.878 37 HH TYR -8 HH TYR -8 -1.213 0.318 -12.316 38 H LYS -7 HN LYS -7 -5.343 -6.901 -14.028 39 HA LYS -7 HA LYS -7 -6.405 -8.778 -14.724 40 HB2 LYS -7 HB2 LYS -7 -5.004 -10.310 -15.966 41 HB3 LYS -7 HB1 LYS -7 -4.313 -8.702 -16.096 42 HG2 LYS -7 HG2 LYS -7 -3.222 -10.489 -13.960 43 HG3 LYS -7 HG1 LYS -7 -2.840 -10.919 -15.627 44 HD2 LYS -7 HD2 LYS -7 -1.771 -8.712 -15.951 45 HD3 LYS -7 HD1 LYS -7 -2.228 -8.236 -14.311 46 HE2 LYS -7 HE2 LYS -7 -0.364 -10.531 -14.999 47 HE3 LYS -7 HE1 LYS -7 0.131 -8.938 -14.421 48 HZ1 LYS -7 HZ1 LYS -7 -1.598 -10.833 -12.921 49 HZ2 LYS -7 HZ2 LYS -7 -1.046 -9.330 -12.369 50 HZ3 LYS -7 HZ3 LYS -7 0.052 -10.589 -12.642 51 H ASP -6 HN ASP -6 -5.647 -11.598 -14.543 52 HA ASP -6 HA ASP -6 -6.121 -12.210 -11.678 53 HB2 ASP -6 HB2 ASP -6 -6.561 -13.912 -14.183 54 HB3 ASP -6 HB1 ASP -6 -6.855 -14.463 -12.536 55 H ASP -5 HN ASP -5 -5.206 -14.681 -11.414 56 HA ASP -5 HA ASP -5 -3.564 -16.208 -11.311 57 HB2 ASP -5 HB2 ASP -5 -3.301 -16.115 -13.732 58 HB3 ASP -5 HB1 ASP -5 -2.316 -14.664 -13.618 59 H ASP -4 HN ASP -4 -1.497 -16.586 -10.377 60 HA ASP -4 HA ASP -4 -0.753 -14.749 -8.357 61 HB2 ASP -4 HB2 ASP -4 0.598 -17.285 -9.371 62 HB3 ASP -4 HB1 ASP -4 1.158 -16.398 -7.956 63 H ASP -3 HN ASP -3 1.385 -13.910 -7.963 64 HA ASP -3 HA ASP -3 3.010 -12.433 -8.334 65 HB2 ASP -3 HB2 ASP -3 4.197 -14.186 -9.581 66 HB3 ASP -3 HB1 ASP -3 3.328 -13.770 -11.052 67 H LYS -2 HN LYS -2 3.396 -10.359 -9.211 68 HA LYS -2 HA LYS -2 1.051 -8.961 -10.029 69 HB2 LYS -2 HB2 LYS -2 2.526 -6.945 -10.181 70 HB3 LYS -2 HB1 LYS -2 2.640 -7.785 -8.645 71 HG2 LYS -2 HG2 LYS -2 4.695 -8.461 -10.737 72 HG3 LYS -2 HG1 LYS -2 4.799 -6.872 -9.974 73 HD2 LYS -2 HD2 LYS -2 4.853 -7.996 -7.737 74 HD3 LYS -2 HD1 LYS -2 4.845 -9.563 -8.552 75 HE2 LYS -2 HE2 LYS -2 6.991 -7.459 -8.984 76 HE3 LYS -2 HE1 LYS -2 7.114 -8.753 -7.789 77 HZ1 LYS -2 HZ1 LYS -2 6.825 -10.344 -9.652 78 HZ2 LYS -2 HZ2 LYS -2 8.251 -9.441 -9.721 79 HZ3 LYS -2 HZ3 LYS -2 6.957 -9.046 -10.726 80 H GLY -1 HN GLY -1 3.766 -10.272 -11.816 81 HA2 GLY -1 HA2 GLY -1 4.221 -10.436 -14.052 82 HA3 GLY -1 HA1 GLY -1 2.483 -10.325 -14.281 83 H THR 0 HN THR 0 4.443 -7.809 -12.868 84 HA THR 0 HA THR 0 4.030 -6.026 -15.195 85 HB THR 0 HB THR 0 3.892 -4.153 -13.448 86 HG1 THR 0 HG1 THR 0 2.927 -5.616 -11.442 87 HG21 THR 0 HG21 THR 0 1.838 -4.941 -14.588 88 HG22 THR 0 HG22 THR 0 1.506 -4.498 -12.912 89 HG23 THR 0 HG23 THR 0 1.637 -6.200 -13.364 90 H MET 1 HN MET 1 5.702 -4.712 -15.723 91 HA MET 1 HA MET 1 8.259 -5.003 -14.289 92 HB2 MET 1 HB2 MET 1 9.337 -4.794 -16.579 93 HB3 MET 1 HB1 MET 1 8.485 -6.292 -16.266 94 HG2 MET 1 HG2 MET 1 7.999 -5.730 -18.491 95 HG3 MET 1 HG1 MET 1 6.546 -5.313 -17.583 96 HE1 MET 1 HE1 MET 1 5.780 -3.916 -19.785 97 HE2 MET 1 HE2 MET 1 7.302 -4.334 -20.577 98 HE3 MET 1 HE3 MET 1 6.776 -2.652 -20.504 99 H GLU 2 HN GLU 2 9.457 -3.193 -13.960 100 HA GLU 2 HA GLU 2 7.988 -0.667 -14.144 101 HB2 GLU 2 HB2 GLU 2 8.978 -1.594 -11.955 102 HB3 GLU 2 HB1 GLU 2 10.556 -1.164 -12.585 103 HG2 GLU 2 HG2 GLU 2 9.983 1.181 -12.608 104 HG3 GLU 2 HG1 GLU 2 8.301 0.826 -12.229 105 H LEU 3 HN LEU 3 8.876 1.227 -15.020 106 HA LEU 3 HA LEU 3 11.061 0.908 -16.998 107 HB2 LEU 3 HB2 LEU 3 8.279 2.041 -17.529 108 HB3 LEU 3 HB1 LEU 3 9.598 1.960 -18.693 109 HG LEU 3 HG LEU 3 8.330 -0.506 -17.458 110 HD11 LEU 3 HD11 LEU 3 6.612 0.702 -18.688 111 HD12 LEU 3 HD12 LEU 3 7.076 -0.757 -19.556 112 HD13 LEU 3 HD13 LEU 3 7.663 0.817 -20.103 113 HD21 LEU 3 HD21 LEU 3 10.172 -0.146 -19.840 114 HD22 LEU 3 HD22 LEU 3 9.403 -1.663 -19.368 115 HD23 LEU 3 HD23 LEU 3 10.570 -0.900 -18.294 116 H GLU 4 HN GLU 4 12.305 2.750 -17.167 117 HA GLU 4 HA GLU 4 11.530 5.236 -15.860 118 HB2 GLU 4 HB2 GLU 4 13.847 4.451 -15.556 119 HB3 GLU 4 HB1 GLU 4 14.098 4.455 -17.295 120 HG2 GLU 4 HG2 GLU 4 13.944 6.858 -17.384 121 HG3 GLU 4 HG1 GLU 4 13.416 6.938 -15.700 122 H LEU 5 HN LEU 5 10.048 6.348 -17.083 123 HA LEU 5 HA LEU 5 10.310 6.462 -19.996 124 HB2 LEU 5 HB2 LEU 5 8.137 7.694 -18.300 125 HB3 LEU 5 HB1 LEU 5 8.111 7.411 -20.036 126 HG LEU 5 HG LEU 5 7.966 5.326 -17.827 127 HD11 LEU 5 HD11 LEU 5 5.962 6.155 -19.940 128 HD12 LEU 5 HD12 LEU 5 5.896 6.540 -18.217 129 HD13 LEU 5 HD13 LEU 5 5.748 4.868 -18.750 130 HD21 LEU 5 HD21 LEU 5 7.747 3.623 -19.610 131 HD22 LEU 5 HD22 LEU 5 9.331 4.389 -19.625 132 HD23 LEU 5 HD23 LEU 5 8.120 4.843 -20.831 133 H ARG 6 HN ARG 6 11.778 7.844 -20.585 134 HA ARG 6 HA ARG 6 12.254 10.375 -19.219 135 HB2 ARG 6 HB2 ARG 6 13.709 9.033 -21.542 136 HB3 ARG 6 HB1 ARG 6 14.244 10.481 -20.689 137 HG2 ARG 6 HG2 ARG 6 14.576 9.185 -18.633 138 HG3 ARG 6 HG1 ARG 6 13.945 7.733 -19.418 139 HD2 ARG 6 HD2 ARG 6 15.814 7.651 -20.928 140 HD3 ARG 6 HD1 ARG 6 16.395 9.233 -20.391 141 HE ARG 6 HE ARG 6 16.249 7.148 -18.354 142 HH11 ARG 6 HH11 ARG 6 18.304 8.860 -20.636 143 HH12 ARG 6 HH12 ARG 6 19.770 8.393 -19.844 144 HH21 ARG 6 HH21 ARG 6 18.183 6.545 -17.325 145 HH22 ARG 6 HH22 ARG 6 19.705 7.083 -17.969 146 H PHE 7 HN PHE 7 11.209 12.134 -19.898 147 HA PHE 7 HA PHE 7 10.197 12.375 -22.679 148 HB2 PHE 7 HB2 PHE 7 9.312 13.847 -20.143 149 HB3 PHE 7 HB1 PHE 7 8.635 14.084 -21.754 150 HD1 PHE 7 HD2 PHE 7 8.884 11.741 -18.913 151 HD2 PHE 7 HD1 PHE 7 7.078 12.496 -22.710 152 HE1 PHE 7 HE2 PHE 7 7.292 9.907 -18.533 153 HE2 PHE 7 HE1 PHE 7 5.479 10.663 -22.311 154 HZ PHE 7 HZ PHE 7 5.596 9.365 -20.224 155 H PHE 8 HN PHE 8 10.821 14.123 -23.888 156 HA PHE 8 HA PHE 8 12.595 16.162 -22.676 157 HB2 PHE 8 HB2 PHE 8 13.160 14.750 -25.335 158 HB3 PHE 8 HB1 PHE 8 14.135 16.028 -24.606 159 HD1 PHE 8 HD1 PHE 8 15.201 15.568 -22.297 160 HD2 PHE 8 HD2 PHE 8 13.579 12.482 -24.765 161 HE1 PHE 8 HE1 PHE 8 16.424 13.875 -20.989 162 HE2 PHE 8 HE2 PHE 8 14.808 10.808 -23.473 163 HZ PHE 8 HZ PHE 8 16.221 11.487 -21.563 164 H ALA 9 HN ALA 9 12.769 18.100 -23.979 165 HA ALA 9 HA ALA 9 11.934 19.914 -24.962 166 HB1 ALA 9 HB1 ALA 9 10.771 17.948 -26.923 167 HB2 ALA 9 HB2 ALA 9 12.397 18.631 -26.973 168 HB3 ALA 9 HB3 ALA 9 10.992 19.672 -27.210 169 H THR 10 HN THR 10 9.032 19.225 -26.468 170 HA THR 10 HA THR 10 7.486 20.720 -24.624 171 HB THR 10 HB THR 10 6.489 19.032 -26.965 172 HG1 THR 10 HG1 THR 10 6.671 21.050 -28.113 173 HG21 THR 10 HG21 THR 10 4.636 19.750 -25.502 174 HG22 THR 10 HG22 THR 10 4.590 20.646 -27.020 175 HG23 THR 10 HG23 THR 10 5.208 21.421 -25.560 176 H PHE 11 HN PHE 11 7.506 17.229 -25.473 177 HA PHE 11 HA PHE 11 5.376 16.352 -23.856 178 HB2 PHE 11 HB2 PHE 11 7.859 14.924 -24.868 179 HB3 PHE 11 HB1 PHE 11 6.652 14.081 -23.909 180 HD1 PHE 11 HD1 PHE 11 4.949 16.442 -25.975 181 HD2 PHE 11 HD2 PHE 11 6.903 12.635 -26.115 182 HE1 PHE 11 HE1 PHE 11 3.704 15.860 -28.013 183 HE2 PHE 11 HE2 PHE 11 5.647 12.075 -28.154 184 HZ PHE 11 HZ PHE 11 4.041 13.674 -29.100 185 H ARG 12 HN ARG 12 8.618 17.216 -23.023 186 HA ARG 12 HA ARG 12 8.873 15.931 -20.516 187 HB2 ARG 12 HB2 ARG 12 10.731 16.743 -21.908 188 HB3 ARG 12 HB1 ARG 12 10.268 18.393 -21.588 189 HG2 ARG 12 HG2 ARG 12 10.956 16.603 -19.273 190 HG3 ARG 12 HG1 ARG 12 12.259 17.192 -20.295 191 HD2 ARG 12 HD2 ARG 12 10.351 18.799 -18.594 192 HD3 ARG 12 HD1 ARG 12 12.102 18.698 -18.468 193 HE ARG 12 HE ARG 12 11.774 19.712 -20.946 194 HH11 ARG 12 HH11 ARG 12 10.549 20.740 -17.813 195 HH12 ARG 12 HH12 ARG 12 10.400 22.396 -18.303 196 HH21 ARG 12 HH21 ARG 12 11.544 21.866 -21.551 197 HH22 ARG 12 HH22 ARG 12 10.977 23.030 -20.405 198 H GLU 13 HN GLU 13 8.093 19.306 -21.376 199 HA GLU 13 HA GLU 13 7.560 20.054 -18.650 200 HB2 GLU 13 HB2 GLU 13 6.928 22.272 -19.593 201 HB3 GLU 13 HB1 GLU 13 8.512 21.721 -20.097 202 HG2 GLU 13 HG2 GLU 13 7.704 22.616 -22.058 203 HG3 GLU 13 HG1 GLU 13 7.295 20.918 -22.265 204 H VAL 14 HN VAL 14 5.621 18.741 -21.213 205 HA VAL 14 HA VAL 14 3.036 19.243 -20.174 206 HB VAL 14 HB VAL 14 4.075 16.856 -21.776 207 HG11 VAL 14 HG11 VAL 14 1.708 16.244 -22.188 208 HG12 VAL 14 HG12 VAL 14 1.194 17.477 -21.032 209 HG13 VAL 14 HG13 VAL 14 2.145 16.094 -20.485 210 HG21 VAL 14 HG21 VAL 14 2.369 19.230 -22.628 211 HG22 VAL 14 HG22 VAL 14 2.867 17.891 -23.670 212 HG23 VAL 14 HG23 VAL 14 4.076 18.992 -23.008 213 H VAL 15 HN VAL 15 5.319 16.596 -19.597 214 HA VAL 15 HA VAL 15 3.736 15.336 -17.528 215 HB VAL 15 HB VAL 15 6.577 14.794 -18.511 216 HG11 VAL 15 HG11 VAL 15 6.418 12.597 -17.367 217 HG12 VAL 15 HG12 VAL 15 4.863 13.069 -16.678 218 HG13 VAL 15 HG13 VAL 15 6.329 13.931 -16.213 219 HG21 VAL 15 HG21 VAL 15 4.849 14.433 -20.231 220 HG22 VAL 15 HG22 VAL 15 3.953 13.378 -19.134 221 HG23 VAL 15 HG23 VAL 15 5.546 12.894 -19.721 222 H GLY 16 HN GLY 16 6.060 17.859 -17.676 223 HA2 GLY 16 HA2 GLY 16 7.038 19.206 -16.098 224 HA3 GLY 16 HA1 GLY 16 6.010 18.457 -14.883 225 H GLN 17 HN GLN 17 7.995 16.472 -16.870 226 HA GLN 17 HA GLN 17 10.133 16.103 -14.916 227 HB2 GLN 17 HB2 GLN 17 8.033 13.998 -15.563 228 HB3 GLN 17 HB1 GLN 17 9.653 13.515 -15.078 229 HG2 GLN 17 HG2 GLN 17 7.782 15.225 -13.412 230 HG3 GLN 17 HG1 GLN 17 7.994 13.483 -13.232 231 HE21 GLN 17 HE21 GLN 17 9.973 12.669 -12.420 232 HE22 GLN 17 HE22 GLN 17 11.079 13.670 -11.546 233 H LYS 18 HN LYS 18 11.970 15.448 -15.882 234 HA LYS 18 HA LYS 18 12.066 15.119 -18.777 235 HB2 LYS 18 HB2 LYS 18 14.475 14.852 -16.963 236 HB3 LYS 18 HB1 LYS 18 14.382 15.445 -18.615 237 HG2 LYS 18 HG2 LYS 18 13.392 17.525 -17.898 238 HG3 LYS 18 HG1 LYS 18 13.252 16.943 -16.236 239 HD2 LYS 18 HD2 LYS 18 15.870 17.396 -17.726 240 HD3 LYS 18 HD1 LYS 18 15.155 18.519 -16.568 241 HE2 LYS 18 HE2 LYS 18 15.374 16.817 -14.787 242 HE3 LYS 18 HE1 LYS 18 16.076 15.690 -15.952 243 HZ1 LYS 18 HZ1 LYS 18 17.243 18.327 -15.288 244 HZ2 LYS 18 HZ2 LYS 18 17.942 17.112 -16.233 245 HZ3 LYS 18 HZ3 LYS 18 17.715 16.873 -14.577 246 H SER 19 HN SER 19 12.117 13.171 -15.916 247 HA SER 19 HA SER 19 11.736 10.767 -17.500 248 HB2 SER 19 HB2 SER 19 13.811 10.631 -15.259 249 HB3 SER 19 HB1 SER 19 13.450 9.423 -16.488 250 HG SER 19 HG SER 19 14.217 11.199 -17.998 251 H ILE 20 HN ILE 20 10.502 9.232 -16.357 252 HA ILE 20 HA ILE 20 9.872 9.622 -13.498 253 HB ILE 20 HB ILE 20 7.488 9.036 -13.852 254 HG12 ILE 20 HG12 ILE 20 8.158 9.088 -16.831 255 HG13 ILE 20 HG11 ILE 20 7.619 7.694 -15.899 256 HG21 ILE 20 HG21 ILE 20 8.253 11.405 -15.574 257 HG22 ILE 20 HG22 ILE 20 8.073 11.424 -13.817 258 HG23 ILE 20 HG23 ILE 20 6.668 11.122 -14.842 259 HD11 ILE 20 HD11 ILE 20 5.989 10.145 -16.574 260 HD12 ILE 20 HD12 ILE 20 5.431 8.803 -15.571 261 HD13 ILE 20 HD13 ILE 20 5.824 8.532 -17.269 262 H TYR 21 HN TYR 21 9.012 7.542 -12.547 263 HA TYR 21 HA TYR 21 9.689 5.141 -14.141 264 HB2 TYR 21 HB2 TYR 21 9.548 5.435 -11.112 265 HB3 TYR 21 HB1 TYR 21 9.785 3.913 -11.956 266 HD1 TYR 21 HD2 TYR 21 11.916 3.655 -13.455 267 HD2 TYR 21 HD1 TYR 21 11.434 6.808 -10.583 268 HE1 TYR 21 HE2 TYR 21 14.348 4.010 -13.406 269 HE2 TYR 21 HE1 TYR 21 13.866 7.140 -10.547 270 HH TYR 21 HH TYR 21 15.897 5.888 -11.025 271 H TRP 22 HN TRP 22 7.948 4.399 -15.077 272 HA TRP 22 HA TRP 22 5.320 4.242 -13.741 273 HB2 TRP 22 HB2 TRP 22 6.265 4.378 -16.556 274 HB3 TRP 22 HB1 TRP 22 5.044 3.142 -16.316 275 HD1 TRP 22 HD1 TRP 22 5.000 6.680 -14.678 276 HE1 TRP 22 HE1 TRP 22 2.910 7.901 -15.556 277 HE3 TRP 22 HE3 TRP 22 3.317 3.140 -17.941 278 HZ2 TRP 22 HZ2 TRP 22 0.832 7.427 -17.421 279 HZ3 TRP 22 HZ3 TRP 22 1.262 3.589 -19.214 280 HH2 TRP 22 HH2 TRP 22 0.051 5.682 -18.945 281 H ARG 23 HN ARG 23 4.170 2.101 -14.415 282 HA ARG 23 HA ARG 23 5.831 -0.236 -14.744 283 HB2 ARG 23 HB2 ARG 23 5.950 0.220 -12.265 284 HB3 ARG 23 HB1 ARG 23 4.202 0.005 -12.175 285 HG2 ARG 23 HG2 ARG 23 4.363 -2.315 -12.756 286 HG3 ARG 23 HG1 ARG 23 6.050 -2.148 -13.242 287 HD2 ARG 23 HD2 ARG 23 6.653 -1.656 -10.875 288 HD3 ARG 23 HD1 ARG 23 4.969 -1.936 -10.419 289 HE ARG 23 HE ARG 23 5.284 -4.232 -11.356 290 HH11 ARG 23 HH11 ARG 23 8.036 -2.495 -10.042 291 HH12 ARG 23 HH12 ARG 23 8.924 -3.940 -9.689 292 HH21 ARG 23 HH21 ARG 23 6.447 -6.096 -10.896 293 HH22 ARG 23 HH22 ARG 23 8.023 -5.983 -10.183 294 H VAL 24 HN VAL 24 4.761 -0.996 -16.410 295 HA VAL 24 HA VAL 24 1.839 -1.523 -16.230 296 HB VAL 24 HB VAL 24 1.880 -1.736 -18.729 297 HG11 VAL 24 HG11 VAL 24 2.036 0.675 -19.270 298 HG12 VAL 24 HG12 VAL 24 2.851 0.971 -17.732 299 HG13 VAL 24 HG13 VAL 24 1.180 0.401 -17.751 300 HG21 VAL 24 HG21 VAL 24 3.819 -0.937 -20.052 301 HG22 VAL 24 HG22 VAL 24 4.260 -2.329 -19.060 302 HG23 VAL 24 HG23 VAL 24 4.746 -0.706 -18.566 303 H ASP 25 HN ASP 25 1.339 -3.618 -17.636 304 HA ASP 25 HA ASP 25 2.668 -5.778 -16.326 305 HB2 ASP 25 HB2 ASP 25 1.182 -7.270 -17.647 306 HB3 ASP 25 HB1 ASP 25 0.300 -5.986 -16.829 307 H ASP 26 HN ASP 26 3.580 -7.680 -17.485 308 HA ASP 26 HA ASP 26 5.868 -6.778 -18.963 309 HB2 ASP 26 HB2 ASP 26 6.010 -8.491 -17.155 310 HB3 ASP 26 HB1 ASP 26 5.083 -9.605 -18.153 311 H ASP 27 HN ASP 27 2.823 -8.129 -19.815 312 HA ASP 27 HA ASP 27 3.575 -9.108 -22.446 313 HB2 ASP 27 HB2 ASP 27 1.715 -10.145 -21.149 314 HB3 ASP 27 HB1 ASP 27 0.832 -8.621 -21.170 315 H ALA 28 HN ALA 28 2.666 -6.117 -20.956 316 HA ALA 28 HA ALA 28 1.921 -4.653 -23.310 317 HB1 ALA 28 HB1 ALA 28 2.149 -2.660 -21.892 318 HB2 ALA 28 HB2 ALA 28 2.924 -3.622 -20.629 319 HB3 ALA 28 HB3 ALA 28 1.238 -3.919 -21.058 320 H THR 29 HN THR 29 3.168 -2.975 -24.276 321 HA THR 29 HA THR 29 6.103 -3.228 -24.229 322 HB THR 29 HB THR 29 6.059 -3.093 -26.788 323 HG1 THR 29 HG1 THR 29 3.316 -3.752 -26.334 324 HG21 THR 29 HG21 THR 29 6.563 -5.230 -25.649 325 HG22 THR 29 HG22 THR 29 5.641 -5.501 -27.132 326 HG23 THR 29 HG23 THR 29 4.840 -5.591 -25.561 327 H VAL 30 HN VAL 30 6.799 -1.423 -26.097 328 HA VAL 30 HA VAL 30 6.727 1.026 -24.809 329 HB VAL 30 HB VAL 30 7.268 0.530 -27.771 330 HG11 VAL 30 HG11 VAL 30 8.635 2.612 -27.710 331 HG12 VAL 30 HG12 VAL 30 8.101 2.910 -26.053 332 HG13 VAL 30 HG13 VAL 30 6.932 2.936 -27.376 333 HG21 VAL 30 HG21 VAL 30 9.199 0.553 -25.412 334 HG22 VAL 30 HG22 VAL 30 9.662 0.403 -27.109 335 HG23 VAL 30 HG23 VAL 30 8.702 -0.864 -26.342 336 H GLY 31 HN GLY 31 4.638 -0.159 -27.348 337 HA2 GLY 31 HA2 GLY 31 3.253 2.212 -28.004 338 HA3 GLY 31 HA1 GLY 31 2.748 0.571 -28.356 339 H ASP 32 HN ASP 32 2.457 -0.500 -25.825 340 HA ASP 32 HA ASP 32 -0.061 0.387 -24.923 341 HB2 ASP 32 HB2 ASP 32 2.015 -1.260 -23.407 342 HB3 ASP 32 HB1 ASP 32 0.322 -1.082 -22.939 343 H VAL 33 HN VAL 33 3.201 1.150 -23.903 344 HA VAL 33 HA VAL 33 2.673 2.533 -21.490 345 HB VAL 33 HB VAL 33 4.984 2.696 -23.467 346 HG11 VAL 33 HG11 VAL 33 4.854 3.907 -20.686 347 HG12 VAL 33 HG12 VAL 33 4.948 4.792 -22.209 348 HG13 VAL 33 HG13 VAL 33 6.305 3.795 -21.687 349 HG21 VAL 33 HG21 VAL 33 4.738 1.275 -20.787 350 HG22 VAL 33 HG22 VAL 33 6.175 1.293 -21.816 351 HG23 VAL 33 HG23 VAL 33 4.700 0.505 -22.377 352 H LEU 34 HN LEU 34 3.447 3.947 -24.732 353 HA LEU 34 HA LEU 34 2.717 6.568 -23.909 354 HB2 LEU 34 HB2 LEU 34 2.762 7.089 -26.455 355 HB3 LEU 34 HB1 LEU 34 4.242 6.646 -25.636 356 HG LEU 34 HG LEU 34 3.772 4.239 -26.558 357 HD11 LEU 34 HD11 LEU 34 2.591 4.139 -28.671 358 HD12 LEU 34 HD12 LEU 34 2.096 5.824 -28.498 359 HD13 LEU 34 HD13 LEU 34 1.511 4.608 -27.358 360 HD21 LEU 34 HD21 LEU 34 4.668 6.463 -28.423 361 HD22 LEU 34 HD22 LEU 34 5.015 4.740 -28.622 362 HD23 LEU 34 HD23 LEU 34 5.678 5.618 -27.245 363 H ARG 35 HN ARG 35 0.877 3.972 -25.383 364 HA ARG 35 HA ARG 35 -1.508 5.229 -26.020 365 HB2 ARG 35 HB2 ARG 35 -1.223 2.908 -26.540 366 HB3 ARG 35 HB1 ARG 35 -0.949 2.475 -24.863 367 HG2 ARG 35 HG2 ARG 35 -3.184 1.779 -25.873 368 HG3 ARG 35 HG1 ARG 35 -3.263 2.630 -24.325 369 HD2 ARG 35 HD2 ARG 35 -3.740 4.728 -25.495 370 HD3 ARG 35 HD1 ARG 35 -3.734 3.873 -27.060 371 HE ARG 35 HE ARG 35 -5.620 2.527 -25.759 372 HH11 ARG 35 HH11 ARG 35 -5.112 6.013 -25.920 373 HH12 ARG 35 HH12 ARG 35 -6.802 6.367 -25.749 374 HH21 ARG 35 HH21 ARG 35 -7.819 3.029 -25.536 375 HH22 ARG 35 HH22 ARG 35 -8.326 4.688 -25.517 376 H SER 36 HN SER 36 -0.470 4.038 -22.851 377 HA SER 36 HA SER 36 -2.864 4.916 -21.527 378 HB2 SER 36 HB2 SER 36 -0.253 3.906 -20.404 379 HB3 SER 36 HB1 SER 36 -1.764 4.100 -19.522 380 HG SER 36 HG SER 36 -1.247 2.343 -21.672 381 H LEU 37 HN LEU 37 0.343 6.284 -22.069 382 HA LEU 37 HA LEU 37 0.498 8.262 -20.117 383 HB2 LEU 37 HB2 LEU 37 1.788 7.844 -22.760 384 HB3 LEU 37 HB1 LEU 37 1.725 9.522 -22.289 385 HG LEU 37 HG LEU 37 3.849 8.680 -21.621 386 HD11 LEU 37 HD11 LEU 37 2.120 8.865 -19.140 387 HD12 LEU 37 HD12 LEU 37 2.825 10.222 -20.024 388 HD13 LEU 37 HD13 LEU 37 3.874 9.066 -19.208 389 HD21 LEU 37 HD21 LEU 37 4.163 6.782 -20.104 390 HD22 LEU 37 HD22 LEU 37 3.451 6.325 -21.644 391 HD23 LEU 37 HD23 LEU 37 2.437 6.431 -20.206 392 H GLU 38 HN GLU 38 -1.174 8.470 -23.272 393 HA GLU 38 HA GLU 38 -1.905 11.238 -23.008 394 HB2 GLU 38 HB2 GLU 38 -3.507 10.769 -24.882 395 HB3 GLU 38 HB1 GLU 38 -1.847 10.296 -25.215 396 HG2 GLU 38 HG2 GLU 38 -2.349 7.979 -24.836 397 HG3 GLU 38 HG1 GLU 38 -3.984 8.359 -24.288 398 H ALA 39 HN ALA 39 -3.357 8.246 -21.945 399 HA ALA 39 HA ALA 39 -5.977 9.177 -21.346 400 HB1 ALA 39 HB1 ALA 39 -4.389 6.902 -20.082 401 HB2 ALA 39 HB2 ALA 39 -5.416 6.779 -21.510 402 HB3 ALA 39 HB3 ALA 39 -6.137 7.140 -19.944 403 H GLU 40 HN GLU 40 -2.896 9.409 -19.717 404 HA GLU 40 HA GLU 40 -3.931 10.476 -17.201 405 HB2 GLU 40 HB2 GLU 40 -1.056 10.561 -18.201 406 HB3 GLU 40 HB1 GLU 40 -1.621 10.635 -16.531 407 HG2 GLU 40 HG2 GLU 40 -1.909 8.201 -18.308 408 HG3 GLU 40 HG1 GLU 40 -0.513 8.521 -17.292 409 H TYR 41 HN TYR 41 -1.894 11.648 -19.887 410 HA TYR 41 HA TYR 41 -2.086 14.388 -18.910 411 HB2 TYR 41 HB2 TYR 41 -0.105 13.150 -20.858 412 HB3 TYR 41 HB1 TYR 41 -0.076 14.829 -20.324 413 HD1 TYR 41 HD2 TYR 41 0.619 11.335 -19.336 414 HD2 TYR 41 HD1 TYR 41 0.693 15.407 -18.043 415 HE1 TYR 41 HE2 TYR 41 2.014 10.701 -17.414 416 HE2 TYR 41 HE1 TYR 41 2.100 14.766 -16.119 417 HH TYR 41 HH TYR 41 3.606 11.723 -15.878 418 H ASP 42 HN ASP 42 -3.452 15.700 -19.907 419 HA ASP 42 HA ASP 42 -4.761 15.215 -22.389 420 HB2 ASP 42 HB2 ASP 42 -4.517 17.795 -20.776 421 HB3 ASP 42 HB1 ASP 42 -5.636 17.537 -22.114 422 H GLY 43 HN GLY 43 -1.867 16.928 -21.481 423 HA2 GLY 43 HA2 GLY 43 -1.408 18.324 -23.963 424 HA3 GLY 43 HA1 GLY 43 -0.293 18.152 -22.621 425 H LEU 44 HN LEU 44 -1.202 15.068 -23.186 426 HA LEU 44 HA LEU 44 0.786 14.548 -25.320 427 HB2 LEU 44 HB2 LEU 44 -0.030 12.836 -22.975 428 HB3 LEU 44 HB1 LEU 44 0.924 12.226 -24.300 429 HG LEU 44 HG LEU 44 1.748 14.333 -22.286 430 HD11 LEU 44 HD11 LEU 44 3.463 12.717 -21.603 431 HD12 LEU 44 HD12 LEU 44 2.835 11.542 -22.763 432 HD13 LEU 44 HD13 LEU 44 1.838 12.060 -21.401 433 HD21 LEU 44 HD21 LEU 44 3.305 13.342 -24.691 434 HD22 LEU 44 HD22 LEU 44 3.945 14.371 -23.405 435 HD23 LEU 44 HD23 LEU 44 2.657 14.966 -24.448 436 H ALA 45 HN ALA 45 -2.456 14.809 -24.964 437 HA ALA 45 HA ALA 45 -3.429 12.272 -25.868 438 HB1 ALA 45 HB1 ALA 45 -5.600 13.394 -26.090 439 HB2 ALA 45 HB2 ALA 45 -4.825 14.971 -25.908 440 HB3 ALA 45 HB3 ALA 45 -4.825 13.828 -24.563 441 H GLY 46 HN GLY 46 -3.287 11.439 -27.850 442 HA2 GLY 46 HA2 GLY 46 -3.692 11.178 -30.097 443 HA3 GLY 46 HA1 GLY 46 -4.211 12.847 -30.180 444 H ARG 47 HN ARG 47 -1.084 12.667 -28.893 445 HA ARG 47 HA ARG 47 0.153 13.342 -31.522 446 HB2 ARG 47 HB2 ARG 47 1.573 14.961 -30.243 447 HB3 ARG 47 HB1 ARG 47 -0.150 15.343 -30.184 448 HG2 ARG 47 HG2 ARG 47 -0.130 13.997 -27.944 449 HG3 ARG 47 HG1 ARG 47 1.619 14.237 -27.998 450 HD2 ARG 47 HD2 ARG 47 0.388 15.908 -26.629 451 HD3 ARG 47 HD1 ARG 47 1.329 16.631 -27.909 452 HE ARG 47 HE ARG 47 -1.251 16.213 -28.905 453 HH11 ARG 47 HH11 ARG 47 0.196 18.208 -26.393 454 HH12 ARG 47 HH12 ARG 47 -1.028 19.432 -26.510 455 HH21 ARG 47 HH21 ARG 47 -2.839 17.820 -29.028 456 HH22 ARG 47 HH22 ARG 47 -2.749 19.206 -27.985 457 H LEU 48 HN LEU 48 0.099 10.979 -29.370 458 HA LEU 48 HA LEU 48 2.942 10.241 -29.641 459 HB2 LEU 48 HB2 LEU 48 3.014 9.364 -27.438 460 HB3 LEU 48 HB1 LEU 48 2.315 10.961 -27.304 461 HG LEU 48 HG LEU 48 1.064 8.261 -26.800 462 HD11 LEU 48 HD11 LEU 48 2.118 9.407 -24.938 463 HD12 LEU 48 HD12 LEU 48 0.378 9.306 -24.687 464 HD13 LEU 48 HD13 LEU 48 1.107 10.826 -25.207 465 HD21 LEU 48 HD21 LEU 48 -0.600 10.750 -27.271 466 HD22 LEU 48 HD22 LEU 48 -1.172 9.208 -26.640 467 HD23 LEU 48 HD23 LEU 48 -0.571 9.309 -28.283 468 H ILE 49 HN ILE 49 -0.305 9.470 -30.220 469 HA ILE 49 HA ILE 49 0.534 6.956 -31.515 470 HB ILE 49 HB ILE 49 -2.120 7.398 -30.088 471 HG12 ILE 49 HG12 ILE 49 0.141 5.422 -29.676 472 HG13 ILE 49 HG11 ILE 49 -0.483 6.607 -28.532 473 HG21 ILE 49 HG21 ILE 49 -2.589 6.347 -32.284 474 HG22 ILE 49 HG22 ILE 49 -2.881 5.202 -30.979 475 HG23 ILE 49 HG23 ILE 49 -1.407 5.079 -31.945 476 HD11 ILE 49 HD11 ILE 49 -2.549 5.304 -28.339 477 HD12 ILE 49 HD12 ILE 49 -1.116 4.362 -27.932 478 HD13 ILE 49 HD13 ILE 49 -1.903 4.127 -29.487 479 H GLU 50 HN GLU 50 0.065 6.940 -33.668 480 HA GLU 50 HA GLU 50 -2.333 8.287 -34.662 481 HB2 GLU 50 HB2 GLU 50 -0.136 9.765 -34.904 482 HB3 GLU 50 HB1 GLU 50 0.213 8.704 -36.253 483 HG2 GLU 50 HG2 GLU 50 -2.273 10.433 -35.964 484 HG3 GLU 50 HG1 GLU 50 -0.844 10.865 -36.893 485 H ASP 51 HN ASP 51 -3.386 6.856 -35.844 486 HA ASP 51 HA ASP 51 -3.993 5.125 -37.163 487 HB2 ASP 51 HB2 ASP 51 -2.602 6.564 -38.774 488 HB3 ASP 51 HB1 ASP 51 -1.282 5.431 -38.522 489 H GLY 52 HN GLY 52 -2.623 4.506 -34.679 490 HA2 GLY 52 HA2 GLY 52 -2.436 2.464 -33.592 491 HA3 GLY 52 HA1 GLY 52 -2.267 1.651 -35.136 492 H GLU 53 HN GLU 53 -0.011 3.809 -35.674 493 HA GLU 53 HA GLU 53 2.156 2.436 -34.183 494 HB2 GLU 53 HB2 GLU 53 3.711 3.452 -35.776 495 HB3 GLU 53 HB1 GLU 53 2.445 2.588 -36.648 496 HG2 GLU 53 HG2 GLU 53 1.388 4.574 -37.332 497 HG3 GLU 53 HG1 GLU 53 2.238 5.569 -36.160 498 H VAL 54 HN VAL 54 4.097 4.360 -33.983 499 HA VAL 54 HA VAL 54 3.239 5.744 -31.674 500 HB VAL 54 HB VAL 54 5.467 6.873 -31.673 501 HG11 VAL 54 HG11 VAL 54 6.798 4.813 -31.340 502 HG12 VAL 54 HG12 VAL 54 5.556 3.878 -32.175 503 HG13 VAL 54 HG13 VAL 54 5.182 4.667 -30.642 504 HG21 VAL 54 HG21 VAL 54 5.939 5.437 -34.322 505 HG22 VAL 54 HG22 VAL 54 7.189 6.249 -33.375 506 HG23 VAL 54 HG23 VAL 54 5.869 7.185 -34.079 507 H LYS 55 HN LYS 55 4.061 7.133 -34.945 508 HA LYS 55 HA LYS 55 2.191 8.972 -35.418 509 HB2 LYS 55 HB2 LYS 55 2.200 10.070 -33.308 510 HB3 LYS 55 HB1 LYS 55 3.945 10.111 -33.215 511 HG2 LYS 55 HG2 LYS 55 3.328 12.347 -33.519 512 HG3 LYS 55 HG1 LYS 55 3.813 11.843 -35.134 513 HD2 LYS 55 HD2 LYS 55 1.776 13.191 -35.232 514 HD3 LYS 55 HD1 LYS 55 1.437 11.540 -35.755 515 HE2 LYS 55 HE2 LYS 55 0.447 11.028 -33.570 516 HE3 LYS 55 HE1 LYS 55 0.867 12.637 -32.983 517 HZ1 LYS 55 HZ1 LYS 55 -1.470 12.391 -33.660 518 HZ2 LYS 55 HZ2 LYS 55 -0.969 12.124 -35.253 519 HZ3 LYS 55 HZ3 LYS 55 -0.661 13.606 -34.508 520 HA PRO 56 HA PRO 56 5.371 9.932 -38.608 521 HB2 PRO 56 HB2 PRO 56 3.865 11.964 -39.795 522 HB3 PRO 56 HB1 PRO 56 3.697 10.246 -40.191 523 HG2 PRO 56 HG2 PRO 56 2.080 11.919 -38.254 524 HG3 PRO 56 HG1 PRO 56 1.503 10.772 -39.473 525 HD2 PRO 56 HD2 PRO 56 1.615 10.029 -36.947 526 HD3 PRO 56 HD1 PRO 56 2.151 8.899 -38.212 527 H HIS 57 HN HIS 57 7.042 11.288 -38.360 528 HA HIS 57 HA HIS 57 8.315 13.133 -38.113 529 HB2 HIS 57 HB2 HIS 57 5.812 14.691 -37.340 530 HB3 HIS 57 HB1 HIS 57 7.397 15.392 -37.636 531 HD1 HIS 57 HD1 HIS 57 8.118 15.726 -40.086 532 HD2 HIS 57 HD2 HIS 57 4.409 13.884 -39.682 533 HE1 HIS 57 HE1 HIS 57 7.063 15.816 -42.371 534 HE2 HIS 57 HE2 HIS 57 4.838 14.661 -42.113 535 H VAL 58 HN VAL 58 6.552 11.766 -35.532 536 HA VAL 58 HA VAL 58 7.839 13.233 -33.396 537 HB VAL 58 HB VAL 58 5.598 11.826 -33.256 538 HG11 VAL 58 HG11 VAL 58 5.807 9.571 -32.338 539 HG12 VAL 58 HG12 VAL 58 7.561 9.641 -32.509 540 HG13 VAL 58 HG13 VAL 58 6.537 9.650 -33.947 541 HG21 VAL 58 HG21 VAL 58 6.515 13.096 -31.374 542 HG22 VAL 58 HG22 VAL 58 7.602 11.765 -30.978 543 HG23 VAL 58 HG23 VAL 58 5.854 11.555 -30.814 544 H ASN 59 HN ASN 59 9.549 12.424 -32.011 545 HA ASN 59 HA ASN 59 11.199 10.264 -33.215 546 HB2 ASN 59 HB2 ASN 59 12.149 12.801 -31.811 547 HB3 ASN 59 HB1 ASN 59 13.198 11.461 -32.266 548 HD21 ASN 59 HD21 ASN 59 14.380 12.070 -33.934 549 HD22 ASN 59 HD22 ASN 59 13.832 12.942 -35.322 550 H VAL 60 HN VAL 60 10.794 8.569 -31.963 551 HA VAL 60 HA VAL 60 10.870 8.868 -29.018 552 HB VAL 60 HB VAL 60 9.327 6.830 -28.962 553 HG11 VAL 60 HG11 VAL 60 8.167 9.436 -30.067 554 HG12 VAL 60 HG12 VAL 60 8.531 9.107 -28.372 555 HG13 VAL 60 HG13 VAL 60 7.256 8.201 -29.189 556 HG21 VAL 60 HG21 VAL 60 9.538 6.118 -31.316 557 HG22 VAL 60 HG22 VAL 60 8.774 7.614 -31.854 558 HG23 VAL 60 HG23 VAL 60 7.851 6.441 -30.911 559 H LEU 61 HN LEU 61 11.732 7.142 -27.876 560 HA LEU 61 HA LEU 61 13.746 5.557 -29.308 561 HB2 LEU 61 HB2 LEU 61 14.175 7.479 -27.018 562 HB3 LEU 61 HB1 LEU 61 15.310 6.185 -27.338 563 HG LEU 61 HG LEU 61 15.583 7.238 -29.661 564 HD11 LEU 61 HD11 LEU 61 15.148 9.651 -29.858 565 HD12 LEU 61 HD12 LEU 61 14.172 9.555 -28.390 566 HD13 LEU 61 HD13 LEU 61 13.696 8.658 -29.829 567 HD21 LEU 61 HD21 LEU 61 17.256 8.862 -28.880 568 HD22 LEU 61 HD22 LEU 61 17.315 7.382 -27.926 569 HD23 LEU 61 HD23 LEU 61 16.540 8.824 -27.263 570 H LYS 62 HN LYS 62 14.923 4.135 -27.692 571 HA LYS 62 HA LYS 62 13.453 2.927 -25.519 572 HB2 LYS 62 HB2 LYS 62 12.110 1.904 -27.186 573 HB3 LYS 62 HB1 LYS 62 13.434 1.785 -28.321 574 HG2 LYS 62 HG2 LYS 62 12.863 -0.416 -27.677 575 HG3 LYS 62 HG1 LYS 62 14.414 -0.042 -26.929 576 HD2 LYS 62 HD2 LYS 62 13.186 0.444 -24.794 577 HD3 LYS 62 HD1 LYS 62 11.694 -0.097 -25.577 578 HE2 LYS 62 HE2 LYS 62 12.661 -1.901 -24.243 579 HE3 LYS 62 HE1 LYS 62 12.719 -2.324 -25.953 580 HZ1 LYS 62 HZ1 LYS 62 15.048 -1.655 -25.982 581 HZ2 LYS 62 HZ2 LYS 62 14.785 -2.874 -24.843 582 HZ3 LYS 62 HZ3 LYS 62 14.975 -1.273 -24.337 583 H ASN 63 HN ASN 63 15.220 2.773 -24.238 584 HA ASN 63 HA ASN 63 17.330 2.462 -23.458 585 HB2 ASN 63 HB2 ASN 63 16.551 0.068 -23.999 586 HB3 ASN 63 HB1 ASN 63 17.514 0.167 -25.462 587 HD21 ASN 63 HD21 ASN 63 19.798 0.093 -25.287 588 HD22 ASN 63 HD22 ASN 63 20.595 -0.393 -23.833 589 H GLY 64 HN GLY 64 17.043 4.405 -25.490 590 HA2 GLY 64 HA2 GLY 64 18.547 5.935 -26.405 591 HA3 GLY 64 HA1 GLY 64 19.796 4.713 -26.423 592 H ARG 65 HN ARG 65 17.525 3.001 -27.858 593 HA ARG 65 HA ARG 65 18.335 3.722 -30.577 594 HB2 ARG 65 HB2 ARG 65 18.406 1.344 -29.915 595 HB3 ARG 65 HB1 ARG 65 16.686 1.368 -29.551 596 HG2 ARG 65 HG2 ARG 65 17.088 0.289 -31.714 597 HG3 ARG 65 HG1 ARG 65 16.174 1.776 -31.935 598 HD2 ARG 65 HD2 ARG 65 17.910 1.531 -33.657 599 HD3 ARG 65 HD1 ARG 65 18.215 2.944 -32.645 600 HE ARG 65 HE ARG 65 19.600 0.476 -31.906 601 HH11 ARG 65 HH11 ARG 65 19.862 3.622 -33.467 602 HH12 ARG 65 HH12 ARG 65 21.591 3.576 -33.517 603 HH21 ARG 65 HH21 ARG 65 21.857 0.459 -31.966 604 HH22 ARG 65 HH22 ARG 65 22.718 1.788 -32.675 605 H GLU 66 HN GLU 66 17.123 5.060 -31.793 606 HA GLU 66 HA GLU 66 14.534 5.949 -30.962 607 HB2 GLU 66 HB2 GLU 66 16.411 7.273 -32.219 608 HB3 GLU 66 HB1 GLU 66 15.757 6.546 -33.676 609 HG2 GLU 66 HG2 GLU 66 13.544 7.594 -33.157 610 HG3 GLU 66 HG1 GLU 66 14.262 8.331 -31.742 611 H VAL 67 HN VAL 67 12.870 4.586 -31.118 612 HA VAL 67 HA VAL 67 12.748 2.366 -32.896 613 HB VAL 67 HB VAL 67 10.453 1.952 -31.916 614 HG11 VAL 67 HG11 VAL 67 12.758 2.266 -29.974 615 HG12 VAL 67 HG12 VAL 67 12.418 0.866 -30.998 616 HG13 VAL 67 HG13 VAL 67 11.303 1.298 -29.694 617 HG21 VAL 67 HG21 VAL 67 11.136 4.361 -30.172 618 HG22 VAL 67 HG22 VAL 67 9.785 3.252 -29.909 619 HG23 VAL 67 HG23 VAL 67 9.824 4.266 -31.352 620 H VAL 68 HN VAL 68 11.983 5.534 -33.647 621 HA VAL 68 HA VAL 68 9.747 5.088 -35.381 622 HB VAL 68 HB VAL 68 10.213 7.235 -36.394 623 HG11 VAL 68 HG11 VAL 68 9.203 7.292 -34.165 624 HG12 VAL 68 HG12 VAL 68 10.235 8.701 -34.413 625 HG13 VAL 68 HG13 VAL 68 10.802 7.359 -33.416 626 HG21 VAL 68 HG21 VAL 68 12.647 7.047 -36.748 627 HG22 VAL 68 HG22 VAL 68 12.932 7.209 -35.015 628 HG23 VAL 68 HG23 VAL 68 12.257 8.561 -35.927 629 H HIS 69 HN HIS 69 13.057 4.198 -35.598 630 HA HIS 69 HA HIS 69 13.105 3.916 -38.520 631 HB2 HIS 69 HB2 HIS 69 15.228 3.103 -36.487 632 HB3 HIS 69 HB1 HIS 69 15.442 3.223 -38.233 633 HD1 HIS 69 HD1 HIS 69 14.975 5.832 -39.148 634 HD2 HIS 69 HD2 HIS 69 16.058 5.293 -35.168 635 HE1 HIS 69 HE1 HIS 69 15.809 8.075 -38.369 636 HE2 HIS 69 HE2 HIS 69 16.262 7.768 -35.912 637 H LEU 70 HN LEU 70 12.017 2.119 -35.886 638 HA LEU 70 HA LEU 70 11.866 -0.385 -37.373 639 HB2 LEU 70 HB2 LEU 70 12.688 -1.739 -35.436 640 HB3 LEU 70 HB1 LEU 70 13.938 -0.791 -36.213 641 HG LEU 70 HG LEU 70 12.615 0.227 -33.662 642 HD11 LEU 70 HD11 LEU 70 14.980 -1.684 -33.749 643 HD12 LEU 70 HD12 LEU 70 13.373 -2.036 -33.106 644 HD13 LEU 70 HD13 LEU 70 14.388 -0.832 -32.316 645 HD21 LEU 70 HD21 LEU 70 15.381 0.687 -34.843 646 HD22 LEU 70 HD22 LEU 70 14.760 1.391 -33.347 647 HD23 LEU 70 HD23 LEU 70 14.025 1.820 -34.888 648 H ASP 71 HN ASP 71 10.961 -1.839 -34.941 649 HA ASP 71 HA ASP 71 8.207 -1.186 -34.992 650 HB2 ASP 71 HB2 ASP 71 9.766 -2.907 -33.019 651 HB3 ASP 71 HB1 ASP 71 8.014 -2.908 -33.203 652 H GLY 72 HN GLY 72 7.513 0.733 -34.162 653 HA2 GLY 72 HA2 GLY 72 8.662 1.980 -31.821 654 HA3 GLY 72 HA1 GLY 72 7.296 2.560 -32.751 655 H MET 73 HN MET 73 5.752 0.193 -32.595 656 HA MET 73 HA MET 73 4.443 0.727 -30.071 657 HB2 MET 73 HB2 MET 73 3.738 -0.783 -32.590 658 HB3 MET 73 HB1 MET 73 2.789 -1.062 -31.131 659 HG2 MET 73 HG2 MET 73 3.259 1.701 -32.278 660 HG3 MET 73 HG1 MET 73 1.870 0.684 -32.685 661 HE1 MET 73 HE1 MET 73 0.718 3.498 -29.994 662 HE2 MET 73 HE2 MET 73 0.563 3.026 -31.691 663 HE3 MET 73 HE3 MET 73 2.090 3.671 -31.082 664 H ALA 74 HN ALA 74 6.237 -1.977 -31.463 665 HA ALA 74 HA ALA 74 6.419 -3.262 -28.844 666 HB1 ALA 74 HB1 ALA 74 5.478 -5.414 -29.570 667 HB2 ALA 74 HB2 ALA 74 5.085 -4.733 -31.151 668 HB3 ALA 74 HB3 ALA 74 4.271 -4.134 -29.704 669 H THR 75 HN THR 75 8.593 -2.515 -29.367 670 HA THR 75 HA THR 75 10.154 -4.024 -31.276 671 HB THR 75 HB THR 75 10.971 -1.842 -31.072 672 HG1 THR 75 HG1 THR 75 12.759 -3.113 -31.053 673 HG21 THR 75 HG21 THR 75 11.512 -0.676 -28.981 674 HG22 THR 75 HG22 THR 75 10.996 -2.078 -28.045 675 HG23 THR 75 HG23 THR 75 9.818 -1.171 -28.999 676 H ALA 76 HN ALA 76 10.539 -3.758 -27.655 677 HA ALA 76 HA ALA 76 11.296 -6.462 -27.245 678 HB1 ALA 76 HB1 ALA 76 13.755 -6.228 -27.145 679 HB2 ALA 76 HB2 ALA 76 13.627 -4.546 -27.674 680 HB3 ALA 76 HB3 ALA 76 13.161 -5.851 -28.766 681 H LEU 77 HN LEU 77 9.744 -4.534 -25.781 682 HA LEU 77 HA LEU 77 11.361 -3.119 -23.864 683 HB2 LEU 77 HB2 LEU 77 9.156 -2.282 -24.780 684 HB3 LEU 77 HB1 LEU 77 8.361 -3.499 -23.802 685 HG LEU 77 HG LEU 77 9.214 -2.444 -21.742 686 HD11 LEU 77 HD11 LEU 77 11.301 -1.525 -22.579 687 HD12 LEU 77 HD12 LEU 77 10.336 -0.259 -21.830 688 HD13 LEU 77 HD13 LEU 77 10.424 -0.371 -23.589 689 HD21 LEU 77 HD21 LEU 77 7.847 -0.405 -21.792 690 HD22 LEU 77 HD22 LEU 77 7.018 -1.741 -22.582 691 HD23 LEU 77 HD23 LEU 77 7.778 -0.479 -23.553 692 H ASP 78 HN ASP 78 11.411 -3.401 -21.603 693 HA ASP 78 HA ASP 78 10.694 -5.933 -20.371 694 HB2 ASP 78 HB2 ASP 78 12.661 -6.490 -21.815 695 HB3 ASP 78 HB1 ASP 78 13.598 -5.235 -21.033 696 H ASP 79 HN ASP 79 11.681 -5.988 -18.070 697 HA ASP 79 HA ASP 79 11.201 -3.550 -16.699 698 HB2 ASP 79 HB2 ASP 79 11.998 -4.750 -14.658 699 HB3 ASP 79 HB1 ASP 79 10.814 -5.670 -15.567 700 H GLY 80 HN GLY 80 12.591 -2.232 -15.487 701 HA2 GLY 80 HA2 GLY 80 14.442 -0.954 -15.068 702 HA3 GLY 80 HA1 GLY 80 15.428 -2.340 -15.508 703 H ASP 81 HN ASP 81 13.236 -1.337 -17.979 704 HA ASP 81 HA ASP 81 15.416 -0.404 -19.659 705 HB2 ASP 81 HB2 ASP 81 13.452 -1.883 -20.518 706 HB3 ASP 81 HB1 ASP 81 12.459 -0.455 -20.419 707 H ALA 82 HN ALA 82 15.396 1.684 -20.748 708 HA ALA 82 HA ALA 82 13.835 3.810 -19.378 709 HB1 ALA 82 HB1 ALA 82 15.712 5.342 -19.847 710 HB2 ALA 82 HB2 ALA 82 16.630 4.011 -20.560 711 HB3 ALA 82 HB3 ALA 82 16.215 3.981 -18.843 712 H VAL 83 HN VAL 83 12.136 3.999 -20.791 713 HA VAL 83 HA VAL 83 12.500 4.106 -23.695 714 HB VAL 83 HB VAL 83 9.951 4.607 -22.071 715 HG11 VAL 83 HG11 VAL 83 8.741 4.035 -24.153 716 HG12 VAL 83 HG12 VAL 83 10.278 3.865 -25.006 717 HG13 VAL 83 HG13 VAL 83 9.790 5.440 -24.375 718 HG21 VAL 83 HG21 VAL 83 10.800 2.379 -21.511 719 HG22 VAL 83 HG22 VAL 83 10.914 1.964 -23.224 720 HG23 VAL 83 HG23 VAL 83 9.334 2.247 -22.492 721 H SER 84 HN SER 84 13.393 5.986 -24.364 722 HA SER 84 HA SER 84 12.738 8.564 -23.122 723 HB2 SER 84 HB2 SER 84 14.734 7.794 -25.297 724 HB3 SER 84 HB1 SER 84 14.533 9.426 -24.663 725 HG SER 84 HG SER 84 15.197 7.147 -23.105 726 H VAL 85 HN VAL 85 11.681 10.266 -24.303 727 HA VAL 85 HA VAL 85 10.763 9.738 -27.032 728 HB VAL 85 HB VAL 85 8.455 10.380 -26.660 729 HG11 VAL 85 HG11 VAL 85 8.907 7.977 -26.383 730 HG12 VAL 85 HG12 VAL 85 7.567 8.487 -25.355 731 HG13 VAL 85 HG13 VAL 85 9.161 8.209 -24.651 732 HG21 VAL 85 HG21 VAL 85 9.124 10.725 -23.719 733 HG22 VAL 85 HG22 VAL 85 7.500 10.805 -24.409 734 HG23 VAL 85 HG23 VAL 85 8.709 12.007 -24.866 735 H PHE 86 HN PHE 86 10.521 11.515 -28.243 736 HA PHE 86 HA PHE 86 10.840 14.226 -27.090 737 HB2 PHE 86 HB2 PHE 86 11.994 13.251 -29.772 738 HB3 PHE 86 HB1 PHE 86 12.100 14.887 -29.138 739 HD1 PHE 86 HD2 PHE 86 13.094 11.366 -28.270 740 HD2 PHE 86 HD1 PHE 86 14.116 15.517 -28.028 741 HE1 PHE 86 HE2 PHE 86 15.256 10.785 -27.269 742 HE2 PHE 86 HE1 PHE 86 16.292 14.905 -27.035 743 HZ PHE 86 HZ PHE 86 16.856 12.526 -26.667 744 HA PRO 87 HA PRO 87 6.902 14.738 -29.401 745 HB2 PRO 87 HB2 PRO 87 6.964 17.499 -29.700 746 HB3 PRO 87 HB1 PRO 87 6.532 16.699 -28.185 747 HG2 PRO 87 HG2 PRO 87 9.194 17.815 -29.041 748 HG3 PRO 87 HG1 PRO 87 8.333 18.026 -27.501 749 HD2 PRO 87 HD2 PRO 87 10.321 16.261 -27.690 750 HD3 PRO 87 HD1 PRO 87 8.864 15.873 -26.745 751 HA PRO 88 HA PRO 88 7.787 14.955 -33.761 752 HB2 PRO 88 HB2 PRO 88 5.822 16.717 -34.729 753 HB3 PRO 88 HB1 PRO 88 5.595 14.987 -34.445 754 HG2 PRO 88 HG2 PRO 88 4.844 17.319 -32.709 755 HG3 PRO 88 HG1 PRO 88 3.961 15.807 -33.001 756 HD2 PRO 88 HD2 PRO 88 5.356 16.231 -30.722 757 HD3 PRO 88 HD1 PRO 88 5.242 14.615 -31.459 758 H VAL 89 HN VAL 89 9.323 15.980 -34.832 759 HA VAL 89 HA VAL 89 10.422 18.419 -33.722 760 HB VAL 89 HB VAL 89 12.350 17.966 -35.309 761 HG11 VAL 89 HG11 VAL 89 12.399 17.146 -32.989 762 HG12 VAL 89 HG12 VAL 89 13.186 15.993 -34.069 763 HG13 VAL 89 HG13 VAL 89 11.555 15.668 -33.471 764 HG21 VAL 89 HG21 VAL 89 12.423 15.774 -36.490 765 HG22 VAL 89 HG22 VAL 89 11.111 16.788 -37.094 766 HG23 VAL 89 HG23 VAL 89 10.756 15.454 -35.994 767 H ALA 90 HN ALA 90 8.681 17.482 -36.595 768 HA ALA 90 HA ALA 90 9.033 19.861 -38.113 769 HB1 ALA 90 HB1 ALA 90 8.143 17.787 -39.096 770 HB2 ALA 90 HB2 ALA 90 7.022 19.127 -39.341 771 HB3 ALA 90 HB3 ALA 90 6.694 17.917 -38.096 772 H GLY 91 HN GLY 91 6.816 18.899 -35.543 773 HA2 GLY 91 HA2 GLY 91 6.445 21.102 -34.142 774 HA3 GLY 91 HA1 GLY 91 5.411 21.475 -35.518 775 H GLY 92 HN GLY 92 4.187 19.203 -36.131 776 HA2 GLY 92 HA2 GLY 92 3.142 17.531 -34.194 777 HA3 GLY 92 HA1 GLY 92 2.164 18.992 -34.115 Start of MODEL 16 1 H1 GLY -13 HT1 GLY -13 -13.216 -14.242 -9.886 2 H2 GLY -13 HT2 GLY -13 -13.981 -15.585 -9.201 3 H3 GLY -13 HT3 GLY -13 -14.165 -15.255 -10.851 4 HA2 GLY -13 HA1 GLY -13 -11.627 -15.996 -9.513 5 HA3 GLY -13 HA2 GLY -13 -12.629 -17.085 -10.464 6 H GLY -12 HN GLY -12 -10.071 -14.852 -10.557 7 HA2 GLY -12 HA2 GLY -12 -9.400 -15.256 -13.249 8 HA3 GLY -12 HA1 GLY -12 -10.311 -13.750 -13.160 9 H GLY -11 HN GLY -11 -7.986 -13.283 -14.093 10 HA2 GLY -11 HA2 GLY -11 -6.355 -12.182 -11.881 11 HA3 GLY -11 HA1 GLY -11 -5.594 -13.253 -13.053 12 H ARG -10 HN ARG -10 -5.483 -10.259 -12.300 13 HA ARG -10 HA ARG -10 -4.816 -9.305 -14.962 14 HB2 ARG -10 HB2 ARG -10 -7.332 -8.774 -14.527 15 HB3 ARG -10 HB1 ARG -10 -6.770 -7.654 -13.302 16 HG2 ARG -10 HG2 ARG -10 -7.311 -6.449 -15.326 17 HG3 ARG -10 HG1 ARG -10 -5.577 -6.354 -15.035 18 HD2 ARG -10 HD2 ARG -10 -6.340 -8.613 -16.799 19 HD3 ARG -10 HD1 ARG -10 -6.786 -7.037 -17.448 20 HE ARG -10 HE ARG -10 -4.046 -7.207 -16.528 21 HH11 ARG -10 HH11 ARG -10 -6.138 -7.813 -19.285 22 HH12 ARG -10 HH12 ARG -10 -4.868 -7.617 -20.448 23 HH21 ARG -10 HH21 ARG -10 -2.394 -6.923 -18.040 24 HH22 ARG -10 HH22 ARG -10 -2.735 -7.097 -19.736 25 H ASP -9 HN ASP -9 -4.117 -6.706 -14.395 26 HA ASP -9 HA ASP -9 -2.177 -6.942 -12.227 27 HB2 ASP -9 HB2 ASP -9 -0.308 -6.721 -13.959 28 HB3 ASP -9 HB1 ASP -9 -1.111 -8.276 -13.872 29 H TYR -8 HN TYR -8 -0.586 -4.976 -14.151 30 HA TYR -8 HA TYR -8 -0.147 -2.805 -14.291 31 HB2 TYR -8 HB2 TYR -8 -3.107 -2.295 -13.814 32 HB3 TYR -8 HB1 TYR -8 -1.942 -1.123 -14.425 33 HD1 TYR -8 HD1 TYR -8 -1.063 -1.338 -16.770 34 HD2 TYR -8 HD2 TYR -8 -3.968 -4.081 -15.229 35 HE1 TYR -8 HE1 TYR -8 -1.529 -2.127 -19.055 36 HE2 TYR -8 HE2 TYR -8 -4.456 -4.843 -17.517 37 HH TYR -8 HH TYR -8 -2.438 -4.084 -20.170 38 H LYS -7 HN LYS -7 -2.651 -2.899 -11.744 39 HA LYS -7 HA LYS -7 -1.174 -1.591 -9.728 40 HB2 LYS -7 HB2 LYS -7 -2.838 -2.818 -8.162 41 HB3 LYS -7 HB1 LYS -7 -3.506 -1.728 -9.362 42 HG2 LYS -7 HG2 LYS -7 -4.938 -3.613 -9.347 43 HG3 LYS -7 HG1 LYS -7 -3.973 -3.762 -10.817 44 HD2 LYS -7 HD2 LYS -7 -2.506 -5.415 -9.634 45 HD3 LYS -7 HD1 LYS -7 -3.552 -5.296 -8.219 46 HE2 LYS -7 HE2 LYS -7 -5.437 -6.200 -9.524 47 HE3 LYS -7 HE1 LYS -7 -4.425 -6.262 -10.969 48 HZ1 LYS -7 HZ1 LYS -7 -4.537 -8.426 -10.001 49 HZ2 LYS -7 HZ2 LYS -7 -4.072 -7.850 -8.481 50 HZ3 LYS -7 HZ3 LYS -7 -2.970 -7.838 -9.762 51 H ASP -6 HN ASP -6 -0.525 -2.749 -7.603 52 HA ASP -6 HA ASP -6 1.552 -4.642 -8.291 53 HB2 ASP -6 HB2 ASP -6 0.822 -3.348 -5.639 54 HB3 ASP -6 HB1 ASP -6 2.193 -4.432 -5.847 55 H ASP -5 HN ASP -5 -0.538 -4.885 -5.407 56 HA ASP -5 HA ASP -5 -1.770 -6.555 -4.480 57 HB2 ASP -5 HB2 ASP -5 -3.030 -6.170 -6.623 58 HB3 ASP -5 HB1 ASP -5 -2.098 -7.454 -7.379 59 H ASP -4 HN ASP -4 -2.054 -9.173 -4.517 60 HA ASP -4 HA ASP -4 0.340 -10.516 -4.009 61 HB2 ASP -4 HB2 ASP -4 -2.385 -11.625 -4.815 62 HB3 ASP -4 HB1 ASP -4 -1.049 -12.636 -4.260 63 H ASP -3 HN ASP -3 -1.379 -10.081 -7.065 64 HA ASP -3 HA ASP -3 0.918 -11.241 -8.496 65 HB2 ASP -3 HB2 ASP -3 -0.978 -12.955 -8.328 66 HB3 ASP -3 HB1 ASP -3 -1.958 -11.876 -9.313 67 H LYS -2 HN LYS -2 1.486 -10.192 -10.284 68 HA LYS -2 HA LYS -2 -0.286 -8.320 -11.679 69 HB2 LYS -2 HB2 LYS -2 1.428 -6.525 -11.658 70 HB3 LYS -2 HB1 LYS -2 0.824 -6.876 -10.046 71 HG2 LYS -2 HG2 LYS -2 2.921 -8.208 -9.615 72 HG3 LYS -2 HG1 LYS -2 3.515 -7.688 -11.195 73 HD2 LYS -2 HD2 LYS -2 3.115 -5.269 -10.295 74 HD3 LYS -2 HD1 LYS -2 3.059 -6.033 -8.701 75 HE2 LYS -2 HE2 LYS -2 5.371 -6.048 -10.676 76 HE3 LYS -2 HE1 LYS -2 5.306 -5.216 -9.123 77 HZ1 LYS -2 HZ1 LYS -2 6.610 -7.235 -8.985 78 HZ2 LYS -2 HZ2 LYS -2 5.302 -8.161 -9.519 79 HZ3 LYS -2 HZ3 LYS -2 5.226 -7.378 -8.023 80 H GLY -1 HN GLY -1 3.146 -9.584 -11.621 81 HA2 GLY -1 HA2 GLY -1 4.474 -10.359 -13.337 82 HA3 GLY -1 HA1 GLY -1 3.019 -10.585 -14.289 83 H THR 0 HN THR 0 3.826 -7.493 -12.925 84 HA THR 0 HA THR 0 4.015 -6.322 -15.612 85 HB THR 0 HB THR 0 3.560 -4.149 -14.479 86 HG1 THR 0 HG1 THR 0 2.833 -4.337 -12.224 87 HG21 THR 0 HG21 THR 0 1.652 -5.457 -15.326 88 HG22 THR 0 HG22 THR 0 1.215 -4.594 -13.853 89 HG23 THR 0 HG23 THR 0 1.552 -6.323 -13.790 90 H MET 1 HN MET 1 5.659 -5.052 -16.235 91 HA MET 1 HA MET 1 8.187 -5.188 -14.734 92 HB2 MET 1 HB2 MET 1 9.252 -4.799 -16.910 93 HB3 MET 1 HB1 MET 1 8.161 -6.169 -16.999 94 HG2 MET 1 HG2 MET 1 6.471 -4.697 -18.078 95 HG3 MET 1 HG1 MET 1 7.659 -3.388 -18.067 96 HE1 MET 1 HE1 MET 1 7.683 -4.241 -21.825 97 HE2 MET 1 HE2 MET 1 7.616 -2.966 -20.609 98 HE3 MET 1 HE3 MET 1 6.300 -4.135 -20.737 99 H GLU 2 HN GLU 2 9.318 -3.341 -14.232 100 HA GLU 2 HA GLU 2 7.820 -0.811 -14.283 101 HB2 GLU 2 HB2 GLU 2 8.594 -1.603 -12.099 102 HB3 GLU 2 HB1 GLU 2 10.251 -1.671 -12.666 103 HG2 GLU 2 HG2 GLU 2 10.480 0.675 -12.702 104 HG3 GLU 2 HG1 GLU 2 8.739 0.939 -12.690 105 H LEU 3 HN LEU 3 8.523 0.960 -15.374 106 HA LEU 3 HA LEU 3 10.896 0.649 -17.134 107 HB2 LEU 3 HB2 LEU 3 8.247 1.924 -17.926 108 HB3 LEU 3 HB1 LEU 3 9.609 1.527 -18.970 109 HG LEU 3 HG LEU 3 7.888 -0.556 -17.565 110 HD11 LEU 3 HD11 LEU 3 7.721 0.468 -20.409 111 HD12 LEU 3 HD12 LEU 3 6.507 0.647 -19.141 112 HD13 LEU 3 HD13 LEU 3 6.874 -0.951 -19.785 113 HD21 LEU 3 HD21 LEU 3 9.979 -0.834 -19.753 114 HD22 LEU 3 HD22 LEU 3 8.952 -2.133 -19.142 115 HD23 LEU 3 HD23 LEU 3 10.130 -1.373 -18.078 116 H GLU 4 HN GLU 4 12.176 2.472 -17.326 117 HA GLU 4 HA GLU 4 11.407 4.901 -15.877 118 HB2 GLU 4 HB2 GLU 4 13.734 4.064 -15.619 119 HB3 GLU 4 HB1 GLU 4 13.992 4.233 -17.354 120 HG2 GLU 4 HG2 GLU 4 13.651 6.686 -17.160 121 HG3 GLU 4 HG1 GLU 4 13.392 6.498 -15.424 122 H LEU 5 HN LEU 5 9.955 6.107 -17.036 123 HA LEU 5 HA LEU 5 10.207 6.282 -19.951 124 HB2 LEU 5 HB2 LEU 5 8.035 7.426 -18.181 125 HB3 LEU 5 HB1 LEU 5 8.000 7.269 -19.933 126 HG LEU 5 HG LEU 5 7.861 5.033 -17.873 127 HD11 LEU 5 HD11 LEU 5 5.660 4.616 -18.849 128 HD12 LEU 5 HD12 LEU 5 5.874 5.980 -19.949 129 HD13 LEU 5 HD13 LEU 5 5.785 6.252 -18.206 130 HD21 LEU 5 HD21 LEU 5 9.234 4.215 -19.727 131 HD22 LEU 5 HD22 LEU 5 8.018 4.733 -20.897 132 HD23 LEU 5 HD23 LEU 5 7.650 3.443 -19.750 133 H ARG 6 HN ARG 6 11.673 7.682 -20.521 134 HA ARG 6 HA ARG 6 12.176 10.139 -19.033 135 HB2 ARG 6 HB2 ARG 6 13.713 9.099 -21.448 136 HB3 ARG 6 HB1 ARG 6 14.244 10.277 -20.244 137 HG2 ARG 6 HG2 ARG 6 14.094 8.366 -18.532 138 HG3 ARG 6 HG1 ARG 6 13.904 7.280 -19.913 139 HD2 ARG 6 HD2 ARG 6 16.281 9.064 -19.299 140 HD3 ARG 6 HD1 ARG 6 16.218 7.301 -19.196 141 HE ARG 6 HE ARG 6 15.668 8.382 -21.827 142 HH11 ARG 6 HH11 ARG 6 18.182 7.228 -19.675 143 HH12 ARG 6 HH12 ARG 6 19.302 6.919 -20.959 144 HH21 ARG 6 HH21 ARG 6 17.172 7.982 -23.500 145 HH22 ARG 6 HH22 ARG 6 18.736 7.335 -23.118 146 H PHE 7 HN PHE 7 11.167 11.931 -19.624 147 HA PHE 7 HA PHE 7 10.067 12.257 -22.365 148 HB2 PHE 7 HB2 PHE 7 9.266 13.628 -19.750 149 HB3 PHE 7 HB1 PHE 7 8.536 13.921 -21.327 150 HD1 PHE 7 HD2 PHE 7 8.839 11.532 -18.552 151 HD2 PHE 7 HD1 PHE 7 7.008 12.298 -22.335 152 HE1 PHE 7 HE2 PHE 7 7.277 9.675 -18.191 153 HE2 PHE 7 HE1 PHE 7 5.438 10.439 -21.949 154 HZ PHE 7 HZ PHE 7 5.582 9.123 -19.876 155 H PHE 8 HN PHE 8 10.626 13.996 -23.564 156 HA PHE 8 HA PHE 8 12.441 16.038 -22.434 157 HB2 PHE 8 HB2 PHE 8 12.910 14.630 -25.105 158 HB3 PHE 8 HB1 PHE 8 13.924 15.886 -24.394 159 HD1 PHE 8 HD1 PHE 8 15.226 15.374 -22.264 160 HD2 PHE 8 HD2 PHE 8 13.177 12.332 -24.459 161 HE1 PHE 8 HE1 PHE 8 16.481 13.635 -21.046 162 HE2 PHE 8 HE2 PHE 8 14.436 10.620 -23.257 163 HZ PHE 8 HZ PHE 8 16.081 11.253 -21.527 164 H ALA 9 HN ALA 9 12.483 17.994 -23.578 165 HA ALA 9 HA ALA 9 11.649 19.820 -24.543 166 HB1 ALA 9 HB1 ALA 9 10.555 17.900 -26.609 167 HB2 ALA 9 HB2 ALA 9 12.179 18.590 -26.593 168 HB3 ALA 9 HB3 ALA 9 10.778 19.638 -26.821 169 H THR 10 HN THR 10 8.807 19.188 -26.146 170 HA THR 10 HA THR 10 7.147 20.460 -24.262 171 HB THR 10 HB THR 10 6.308 18.789 -26.674 172 HG1 THR 10 HG1 THR 10 7.320 21.396 -26.380 173 HG21 THR 10 HG21 THR 10 4.270 20.198 -26.691 174 HG22 THR 10 HG22 THR 10 4.798 20.993 -25.206 175 HG23 THR 10 HG23 THR 10 4.389 19.276 -25.188 176 H PHE 11 HN PHE 11 7.506 17.012 -25.139 177 HA PHE 11 HA PHE 11 5.397 15.979 -23.569 178 HB2 PHE 11 HB2 PHE 11 7.966 14.695 -24.558 179 HB3 PHE 11 HB1 PHE 11 6.765 13.792 -23.653 180 HD1 PHE 11 HD1 PHE 11 4.893 16.018 -25.632 181 HD2 PHE 11 HD2 PHE 11 7.281 12.487 -25.975 182 HE1 PHE 11 HE1 PHE 11 3.722 15.402 -27.705 183 HE2 PHE 11 HE2 PHE 11 6.097 11.892 -28.049 184 HZ PHE 11 HZ PHE 11 4.313 13.342 -28.906 185 H ARG 12 HN ARG 12 8.630 17.021 -22.720 186 HA ARG 12 HA ARG 12 8.911 15.739 -20.202 187 HB2 ARG 12 HB2 ARG 12 10.793 16.725 -21.477 188 HB3 ARG 12 HB1 ARG 12 10.168 18.325 -21.155 189 HG2 ARG 12 HG2 ARG 12 10.458 17.801 -18.673 190 HG3 ARG 12 HG1 ARG 12 11.313 16.345 -19.171 191 HD2 ARG 12 HD2 ARG 12 12.945 18.050 -18.669 192 HD3 ARG 12 HD1 ARG 12 12.943 17.791 -20.418 193 HE ARG 12 HE ARG 12 11.160 19.887 -19.787 194 HH11 ARG 12 HH11 ARG 12 14.623 19.296 -19.899 195 HH12 ARG 12 HH12 ARG 12 15.011 20.971 -20.119 196 HH21 ARG 12 HH21 ARG 12 11.696 22.064 -20.054 197 HH22 ARG 12 HH22 ARG 12 13.358 22.537 -20.201 198 H GLU 13 HN GLU 13 7.905 19.039 -21.079 199 HA GLU 13 HA GLU 13 7.444 19.850 -18.361 200 HB2 GLU 13 HB2 GLU 13 6.612 21.991 -19.419 201 HB3 GLU 13 HB1 GLU 13 8.247 21.529 -19.846 202 HG2 GLU 13 HG2 GLU 13 7.518 22.155 -21.909 203 HG3 GLU 13 HG1 GLU 13 7.049 20.468 -21.971 204 H VAL 14 HN VAL 14 5.460 18.442 -20.819 205 HA VAL 14 HA VAL 14 2.897 18.826 -19.729 206 HB VAL 14 HB VAL 14 4.095 16.498 -21.292 207 HG11 VAL 14 HG11 VAL 14 2.291 15.542 -19.970 208 HG12 VAL 14 HG12 VAL 14 1.782 15.665 -21.652 209 HG13 VAL 14 HG13 VAL 14 1.190 16.829 -20.466 210 HG21 VAL 14 HG21 VAL 14 3.835 18.616 -22.541 211 HG22 VAL 14 HG22 VAL 14 2.120 18.661 -22.134 212 HG23 VAL 14 HG23 VAL 14 2.750 17.373 -23.166 213 H VAL 15 HN VAL 15 5.354 16.378 -19.075 214 HA VAL 15 HA VAL 15 3.830 15.056 -16.979 215 HB VAL 15 HB VAL 15 6.666 14.571 -18.027 216 HG11 VAL 15 HG11 VAL 15 4.946 12.771 -16.277 217 HG12 VAL 15 HG12 VAL 15 6.403 13.621 -15.763 218 HG13 VAL 15 HG13 VAL 15 6.511 12.340 -16.970 219 HG21 VAL 15 HG21 VAL 15 5.652 12.710 -19.303 220 HG22 VAL 15 HG22 VAL 15 4.946 14.257 -19.767 221 HG23 VAL 15 HG23 VAL 15 4.053 13.161 -18.708 222 H GLY 16 HN GLY 16 6.082 17.645 -17.229 223 HA2 GLY 16 HA2 GLY 16 7.171 18.980 -15.717 224 HA3 GLY 16 HA1 GLY 16 6.236 18.215 -14.443 225 H GLN 17 HN GLN 17 8.092 16.172 -16.499 226 HA GLN 17 HA GLN 17 10.322 15.870 -14.606 227 HB2 GLN 17 HB2 GLN 17 8.348 13.659 -15.338 228 HB3 GLN 17 HB1 GLN 17 9.931 13.331 -14.643 229 HG2 GLN 17 HG2 GLN 17 7.809 15.007 -13.275 230 HG3 GLN 17 HG1 GLN 17 7.989 13.269 -13.033 231 HE21 GLN 17 HE21 GLN 17 9.833 12.479 -11.955 232 HE22 GLN 17 HE22 GLN 17 10.818 13.493 -10.955 233 H LYS 18 HN LYS 18 12.191 15.268 -15.615 234 HA LYS 18 HA LYS 18 12.284 14.922 -18.485 235 HB2 LYS 18 HB2 LYS 18 14.728 14.764 -18.212 236 HB3 LYS 18 HB1 LYS 18 14.092 16.160 -17.349 237 HG2 LYS 18 HG2 LYS 18 14.288 14.993 -15.214 238 HG3 LYS 18 HG1 LYS 18 14.805 13.513 -16.028 239 HD2 LYS 18 HD2 LYS 18 16.327 16.154 -16.046 240 HD3 LYS 18 HD1 LYS 18 16.695 14.780 -14.999 241 HE2 LYS 18 HE2 LYS 18 17.180 13.397 -17.008 242 HE3 LYS 18 HE1 LYS 18 16.821 14.781 -18.044 243 HZ1 LYS 18 HZ1 LYS 18 19.005 14.610 -16.044 244 HZ2 LYS 18 HZ2 LYS 18 18.660 15.967 -16.992 245 HZ3 LYS 18 HZ3 LYS 18 19.180 14.535 -17.726 246 H SER 19 HN SER 19 12.170 12.866 -15.688 247 HA SER 19 HA SER 19 11.714 10.520 -17.338 248 HB2 SER 19 HB2 SER 19 13.856 10.250 -15.175 249 HB3 SER 19 HB1 SER 19 13.419 9.099 -16.433 250 HG SER 19 HG SER 19 15.384 10.657 -16.573 251 H ILE 20 HN ILE 20 10.413 9.032 -16.260 252 HA ILE 20 HA ILE 20 9.899 9.304 -13.359 253 HB ILE 20 HB ILE 20 7.511 8.825 -13.652 254 HG12 ILE 20 HG12 ILE 20 8.094 8.751 -16.650 255 HG13 ILE 20 HG11 ILE 20 7.548 7.402 -15.654 256 HG21 ILE 20 HG21 ILE 20 8.189 11.197 -13.739 257 HG22 ILE 20 HG22 ILE 20 6.731 10.903 -14.687 258 HG23 ILE 20 HG23 ILE 20 8.288 11.101 -15.499 259 HD11 ILE 20 HD11 ILE 20 5.957 9.866 -16.380 260 HD12 ILE 20 HD12 ILE 20 5.400 8.594 -15.288 261 HD13 ILE 20 HD13 ILE 20 5.725 8.225 -16.981 262 H TYR 21 HN TYR 21 8.848 7.186 -12.516 263 HA TYR 21 HA TYR 21 9.576 4.832 -14.175 264 HB2 TYR 21 HB2 TYR 21 9.547 5.060 -11.130 265 HB3 TYR 21 HB1 TYR 21 9.662 3.530 -11.994 266 HD1 TYR 21 HD2 TYR 21 11.705 3.087 -13.491 267 HD2 TYR 21 HD1 TYR 21 11.507 6.424 -10.817 268 HE1 TYR 21 HE2 TYR 21 14.149 3.311 -13.580 269 HE2 TYR 21 HE1 TYR 21 13.951 6.652 -10.927 270 HH TYR 21 HH TYR 21 15.860 5.116 -13.229 271 H TRP 22 HN TRP 22 7.844 4.133 -15.096 272 HA TRP 22 HA TRP 22 5.209 3.970 -13.786 273 HB2 TRP 22 HB2 TRP 22 6.197 4.166 -16.577 274 HB3 TRP 22 HB1 TRP 22 4.992 2.902 -16.400 275 HD1 TRP 22 HD1 TRP 22 4.939 6.445 -14.771 276 HE1 TRP 22 HE1 TRP 22 2.835 7.638 -15.637 277 HE3 TRP 22 HE3 TRP 22 3.193 2.824 -17.889 278 HZ2 TRP 22 HZ2 TRP 22 0.707 7.117 -17.430 279 HZ3 TRP 22 HZ3 TRP 22 1.115 3.224 -19.130 280 HH2 TRP 22 HH2 TRP 22 -0.098 5.320 -18.894 281 H ARG 23 HN ARG 23 4.041 1.841 -14.554 282 HA ARG 23 HA ARG 23 5.720 -0.511 -14.860 283 HB2 ARG 23 HB2 ARG 23 5.714 -0.003 -12.403 284 HB3 ARG 23 HB1 ARG 23 3.966 -0.148 -12.393 285 HG2 ARG 23 HG2 ARG 23 4.052 -2.494 -12.745 286 HG3 ARG 23 HG1 ARG 23 5.757 -2.451 -13.200 287 HD2 ARG 23 HD2 ARG 23 5.429 -3.334 -10.901 288 HD3 ARG 23 HD1 ARG 23 6.394 -1.854 -10.899 289 HE ARG 23 HE ARG 23 3.661 -2.207 -9.881 290 HH11 ARG 23 HH11 ARG 23 6.348 0.045 -10.385 291 HH12 ARG 23 HH12 ARG 23 5.685 1.225 -9.299 292 HH21 ARG 23 HH21 ARG 23 2.841 -0.622 -8.480 293 HH22 ARG 23 HH22 ARG 23 3.725 0.850 -8.228 294 H VAL 24 HN VAL 24 4.716 -1.160 -16.638 295 HA VAL 24 HA VAL 24 1.809 -1.760 -16.556 296 HB VAL 24 HB VAL 24 1.819 -1.783 -19.035 297 HG11 VAL 24 HG11 VAL 24 1.173 0.306 -17.933 298 HG12 VAL 24 HG12 VAL 24 2.000 0.645 -19.455 299 HG13 VAL 24 HG13 VAL 24 2.854 0.848 -17.922 300 HG21 VAL 24 HG21 VAL 24 4.176 -2.391 -19.443 301 HG22 VAL 24 HG22 VAL 24 4.700 -0.807 -18.868 302 HG23 VAL 24 HG23 VAL 24 3.743 -0.938 -20.347 303 H ASP 25 HN ASP 25 1.370 -3.701 -18.068 304 HA ASP 25 HA ASP 25 2.550 -5.981 -16.959 305 HB2 ASP 25 HB2 ASP 25 0.254 -5.856 -17.951 306 HB3 ASP 25 HB1 ASP 25 0.966 -5.756 -19.557 307 H ASP 26 HN ASP 26 3.973 -7.546 -17.784 308 HA ASP 26 HA ASP 26 6.215 -6.714 -19.285 309 HB2 ASP 26 HB2 ASP 26 6.364 -8.503 -17.641 310 HB3 ASP 26 HB1 ASP 26 5.190 -9.468 -18.523 311 H ASP 27 HN ASP 27 3.182 -8.143 -20.241 312 HA ASP 27 HA ASP 27 4.001 -8.906 -22.916 313 HB2 ASP 27 HB2 ASP 27 2.229 -10.147 -21.683 314 HB3 ASP 27 HB1 ASP 27 1.225 -8.701 -21.658 315 H ALA 28 HN ALA 28 2.693 -6.096 -21.327 316 HA ALA 28 HA ALA 28 1.819 -4.654 -23.657 317 HB1 ALA 28 HB1 ALA 28 0.988 -4.070 -21.421 318 HB2 ALA 28 HB2 ALA 28 1.814 -2.691 -22.147 319 HB3 ALA 28 HB3 ALA 28 2.619 -3.642 -20.895 320 H THR 29 HN THR 29 3.061 -3.509 -25.074 321 HA THR 29 HA THR 29 5.993 -3.445 -24.682 322 HB THR 29 HB THR 29 6.162 -3.275 -27.142 323 HG1 THR 29 HG1 THR 29 3.303 -3.493 -27.114 324 HG21 THR 29 HG21 THR 29 4.318 -5.546 -26.304 325 HG22 THR 29 HG22 THR 29 6.080 -5.549 -26.171 326 HG23 THR 29 HG23 THR 29 5.319 -5.511 -27.762 327 H VAL 30 HN VAL 30 6.828 -1.513 -26.400 328 HA VAL 30 HA VAL 30 6.699 0.890 -25.032 329 HB VAL 30 HB VAL 30 7.339 0.465 -27.983 330 HG11 VAL 30 HG11 VAL 30 8.550 2.636 -27.917 331 HG12 VAL 30 HG12 VAL 30 7.958 2.912 -26.276 332 HG13 VAL 30 HG13 VAL 30 6.822 2.847 -27.624 333 HG21 VAL 30 HG21 VAL 30 9.710 0.526 -27.278 334 HG22 VAL 30 HG22 VAL 30 8.833 -0.790 -26.494 335 HG23 VAL 30 HG23 VAL 30 9.202 0.680 -25.591 336 H GLY 31 HN GLY 31 4.663 -0.260 -27.627 337 HA2 GLY 31 HA2 GLY 31 3.311 2.168 -28.257 338 HA3 GLY 31 HA1 GLY 31 2.832 0.540 -28.718 339 H ASP 32 HN ASP 32 2.577 -0.584 -26.146 340 HA ASP 32 HA ASP 32 -0.056 0.222 -25.387 341 HB2 ASP 32 HB2 ASP 32 1.916 -1.578 -23.912 342 HB3 ASP 32 HB1 ASP 32 0.199 -1.423 -23.536 343 H VAL 33 HN VAL 33 3.149 0.914 -24.223 344 HA VAL 33 HA VAL 33 2.539 2.151 -21.751 345 HB VAL 33 HB VAL 33 4.909 2.426 -23.650 346 HG11 VAL 33 HG11 VAL 33 4.827 4.487 -22.324 347 HG12 VAL 33 HG12 VAL 33 6.177 3.481 -21.801 348 HG13 VAL 33 HG13 VAL 33 4.702 3.553 -20.832 349 HG21 VAL 33 HG21 VAL 33 4.586 0.943 -21.019 350 HG22 VAL 33 HG22 VAL 33 6.059 1.000 -21.995 351 HG23 VAL 33 HG23 VAL 33 4.615 0.212 -22.627 352 H LEU 34 HN LEU 34 3.357 3.702 -24.915 353 HA LEU 34 HA LEU 34 2.606 6.289 -24.015 354 HB2 LEU 34 HB2 LEU 34 2.737 6.931 -26.492 355 HB3 LEU 34 HB1 LEU 34 4.186 6.353 -25.709 356 HG LEU 34 HG LEU 34 3.616 4.055 -26.810 357 HD11 LEU 34 HD11 LEU 34 1.969 5.849 -28.594 358 HD12 LEU 34 HD12 LEU 34 1.356 4.560 -27.552 359 HD13 LEU 34 HD13 LEU 34 2.402 4.167 -28.914 360 HD21 LEU 34 HD21 LEU 34 4.832 4.671 -28.860 361 HD22 LEU 34 HD22 LEU 34 5.556 5.420 -27.439 362 HD23 LEU 34 HD23 LEU 34 4.548 6.383 -28.524 363 H ARG 35 HN ARG 35 0.783 3.755 -25.627 364 HA ARG 35 HA ARG 35 -1.642 4.971 -26.145 365 HB2 ARG 35 HB2 ARG 35 -1.590 2.731 -26.772 366 HB3 ARG 35 HB1 ARG 35 -0.804 2.215 -25.300 367 HG2 ARG 35 HG2 ARG 35 -3.046 1.248 -25.517 368 HG3 ARG 35 HG1 ARG 35 -2.922 2.267 -24.084 369 HD2 ARG 35 HD2 ARG 35 -4.076 4.080 -25.264 370 HD3 ARG 35 HD1 ARG 35 -4.209 3.071 -26.719 371 HE ARG 35 HE ARG 35 -5.370 1.613 -24.675 372 HH11 ARG 35 HH11 ARG 35 -5.991 4.710 -26.210 373 HH12 ARG 35 HH12 ARG 35 -7.675 4.700 -25.807 374 HH21 ARG 35 HH21 ARG 35 -7.573 1.615 -24.155 375 HH22 ARG 35 HH22 ARG 35 -8.574 2.942 -24.649 376 H SER 36 HN SER 36 -0.511 3.708 -23.021 377 HA SER 36 HA SER 36 -2.860 4.560 -21.603 378 HB2 SER 36 HB2 SER 36 -0.212 3.520 -20.564 379 HB3 SER 36 HB1 SER 36 -1.688 3.713 -19.621 380 HG SER 36 HG SER 36 -1.371 2.042 -21.890 381 H LEU 37 HN LEU 37 0.351 5.946 -22.178 382 HA LEU 37 HA LEU 37 0.405 7.943 -20.205 383 HB2 LEU 37 HB2 LEU 37 1.803 7.574 -22.824 384 HB3 LEU 37 HB1 LEU 37 1.787 9.206 -22.205 385 HG LEU 37 HG LEU 37 3.861 8.160 -21.574 386 HD11 LEU 37 HD11 LEU 37 2.080 8.377 -19.134 387 HD12 LEU 37 HD12 LEU 37 2.926 9.705 -19.933 388 HD13 LEU 37 HD13 LEU 37 3.847 8.427 -19.146 389 HD21 LEU 37 HD21 LEU 37 2.215 5.979 -20.307 390 HD22 LEU 37 HD22 LEU 37 3.955 6.177 -20.116 391 HD23 LEU 37 HD23 LEU 37 3.280 5.846 -21.704 392 H GLU 38 HN GLU 38 -1.209 8.021 -23.414 393 HA GLU 38 HA GLU 38 -2.050 10.777 -23.094 394 HB2 GLU 38 HB2 GLU 38 -3.622 10.321 -25.016 395 HB3 GLU 38 HB1 GLU 38 -1.921 10.069 -25.356 396 HG2 GLU 38 HG2 GLU 38 -2.152 7.710 -25.395 397 HG3 GLU 38 HG1 GLU 38 -3.742 7.773 -24.623 398 H ALA 39 HN ALA 39 -3.344 7.679 -22.184 399 HA ALA 39 HA ALA 39 -6.012 8.513 -21.604 400 HB1 ALA 39 HB1 ALA 39 -4.431 6.180 -20.460 401 HB2 ALA 39 HB2 ALA 39 -5.390 6.147 -21.938 402 HB3 ALA 39 HB3 ALA 39 -6.185 6.380 -20.381 403 H GLU 40 HN GLU 40 -2.967 8.749 -19.859 404 HA GLU 40 HA GLU 40 -4.217 9.624 -17.353 405 HB2 GLU 40 HB2 GLU 40 -1.274 9.661 -18.134 406 HB3 GLU 40 HB1 GLU 40 -1.935 9.854 -16.508 407 HG2 GLU 40 HG2 GLU 40 -1.992 7.352 -18.210 408 HG3 GLU 40 HG1 GLU 40 -0.930 7.690 -16.851 409 H TYR 41 HN TYR 41 -1.955 10.925 -19.757 410 HA TYR 41 HA TYR 41 -2.100 13.575 -18.580 411 HB2 TYR 41 HB2 TYR 41 -0.222 12.384 -20.653 412 HB3 TYR 41 HB1 TYR 41 -0.147 14.060 -20.127 413 HD1 TYR 41 HD2 TYR 41 0.302 10.533 -19.038 414 HD2 TYR 41 HD1 TYR 41 0.956 14.635 -18.034 415 HE1 TYR 41 HE2 TYR 41 1.838 9.854 -17.249 416 HE2 TYR 41 HE1 TYR 41 2.499 13.943 -16.247 417 HH TYR 41 HH TYR 41 3.744 10.813 -15.998 418 H ASP 42 HN ASP 42 -3.233 15.156 -19.479 419 HA ASP 42 HA ASP 42 -4.774 14.875 -21.876 420 HB2 ASP 42 HB2 ASP 42 -4.228 17.421 -20.280 421 HB3 ASP 42 HB1 ASP 42 -5.575 17.128 -21.381 422 H GLY 43 HN GLY 43 -1.783 16.476 -20.972 423 HA2 GLY 43 HA2 GLY 43 -1.383 17.930 -23.426 424 HA3 GLY 43 HA1 GLY 43 -0.232 17.732 -22.115 425 H LEU 44 HN LEU 44 -1.002 14.624 -22.716 426 HA LEU 44 HA LEU 44 1.022 14.280 -24.854 427 HB2 LEU 44 HB2 LEU 44 0.095 12.394 -22.664 428 HB3 LEU 44 HB1 LEU 44 1.075 11.859 -24.013 429 HG LEU 44 HG LEU 44 1.899 13.865 -21.890 430 HD11 LEU 44 HD11 LEU 44 1.927 11.578 -21.061 431 HD12 LEU 44 HD12 LEU 44 3.564 12.208 -21.221 432 HD13 LEU 44 HD13 LEU 44 2.933 11.073 -22.423 433 HD21 LEU 44 HD21 LEU 44 3.463 12.894 -24.299 434 HD22 LEU 44 HD22 LEU 44 4.129 13.851 -22.972 435 HD23 LEU 44 HD23 LEU 44 2.879 14.535 -24.007 436 H ALA 45 HN ALA 45 -2.258 14.423 -24.578 437 HA ALA 45 HA ALA 45 -3.186 11.990 -25.679 438 HB1 ALA 45 HB1 ALA 45 -4.595 13.504 -24.367 439 HB2 ALA 45 HB2 ALA 45 -5.326 13.156 -25.934 440 HB3 ALA 45 HB3 ALA 45 -4.522 14.706 -25.658 441 H GLY 46 HN GLY 46 -2.918 11.221 -27.691 442 HA2 GLY 46 HA2 GLY 46 -3.209 11.016 -29.955 443 HA3 GLY 46 HA1 GLY 46 -3.943 12.605 -29.963 444 H ARG 47 HN ARG 47 -0.786 12.603 -28.685 445 HA ARG 47 HA ARG 47 0.433 13.447 -31.269 446 HB2 ARG 47 HB2 ARG 47 1.993 14.840 -29.638 447 HB3 ARG 47 HB1 ARG 47 0.421 15.473 -30.113 448 HG2 ARG 47 HG2 ARG 47 -0.564 14.815 -28.018 449 HG3 ARG 47 HG1 ARG 47 0.888 13.939 -27.546 450 HD2 ARG 47 HD2 ARG 47 0.543 16.164 -26.428 451 HD3 ARG 47 HD1 ARG 47 2.100 15.944 -27.195 452 HE ARG 47 HE ARG 47 0.702 17.231 -29.111 453 HH11 ARG 47 HH11 ARG 47 1.084 17.930 -25.692 454 HH12 ARG 47 HH12 ARG 47 1.010 19.646 -25.911 455 HH21 ARG 47 HH21 ARG 47 0.608 19.491 -29.379 456 HH22 ARG 47 HH22 ARG 47 0.742 20.528 -27.995 457 H LEU 48 HN LEU 48 0.392 11.044 -29.098 458 HA LEU 48 HA LEU 48 3.184 10.205 -29.609 459 HB2 LEU 48 HB2 LEU 48 3.333 9.207 -27.466 460 HB3 LEU 48 HB1 LEU 48 2.687 10.809 -27.195 461 HG LEU 48 HG LEU 48 1.386 8.114 -26.798 462 HD11 LEU 48 HD11 LEU 48 0.790 9.067 -24.603 463 HD12 LEU 48 HD12 LEU 48 1.595 10.572 -25.055 464 HD13 LEU 48 HD13 LEU 48 2.526 9.084 -24.904 465 HD21 LEU 48 HD21 LEU 48 -0.203 10.666 -27.076 466 HD22 LEU 48 HD22 LEU 48 -0.805 9.131 -26.456 467 HD23 LEU 48 HD23 LEU 48 -0.278 9.253 -28.124 468 H ILE 49 HN ILE 49 -0.074 9.661 -30.167 469 HA ILE 49 HA ILE 49 0.528 7.093 -31.501 470 HB ILE 49 HB ILE 49 -2.065 7.829 -30.073 471 HG12 ILE 49 HG12 ILE 49 -0.128 5.505 -29.740 472 HG13 ILE 49 HG11 ILE 49 -0.434 6.802 -28.587 473 HG21 ILE 49 HG21 ILE 49 -1.618 5.488 -31.991 474 HG22 ILE 49 HG22 ILE 49 -2.673 6.874 -32.273 475 HG23 ILE 49 HG23 ILE 49 -3.060 5.726 -30.997 476 HD11 ILE 49 HD11 ILE 49 -2.408 4.674 -29.410 477 HD12 ILE 49 HD12 ILE 49 -2.679 5.940 -28.206 478 HD13 ILE 49 HD13 ILE 49 -1.457 4.701 -27.934 479 H GLU 50 HN GLU 50 0.145 7.210 -33.677 480 HA GLU 50 HA GLU 50 -2.152 8.744 -34.658 481 HB2 GLU 50 HB2 GLU 50 0.350 9.859 -35.031 482 HB3 GLU 50 HB1 GLU 50 0.220 8.894 -36.490 483 HG2 GLU 50 HG2 GLU 50 -1.488 11.225 -35.596 484 HG3 GLU 50 HG1 GLU 50 -0.538 11.062 -37.068 485 H ASP 51 HN ASP 51 -3.349 7.418 -35.885 486 HA ASP 51 HA ASP 51 -4.109 5.701 -37.166 487 HB2 ASP 51 HB2 ASP 51 -2.702 6.987 -38.830 488 HB3 ASP 51 HB1 ASP 51 -1.374 5.883 -38.513 489 H GLY 52 HN GLY 52 -2.786 4.998 -34.671 490 HA2 GLY 52 HA2 GLY 52 -2.780 2.950 -33.562 491 HA3 GLY 52 HA1 GLY 52 -2.647 2.119 -35.099 492 H GLU 53 HN GLU 53 -0.279 4.133 -35.599 493 HA GLU 53 HA GLU 53 1.795 2.579 -34.165 494 HB2 GLU 53 HB2 GLU 53 3.376 3.379 -35.840 495 HB3 GLU 53 HB1 GLU 53 1.998 2.618 -36.633 496 HG2 GLU 53 HG2 GLU 53 1.076 4.743 -37.242 497 HG3 GLU 53 HG1 GLU 53 2.265 5.618 -36.290 498 H VAL 54 HN VAL 54 3.916 4.363 -34.105 499 HA VAL 54 HA VAL 54 3.216 5.755 -31.740 500 HB VAL 54 HB VAL 54 5.553 6.668 -31.747 501 HG11 VAL 54 HG11 VAL 54 5.353 3.689 -32.330 502 HG12 VAL 54 HG12 VAL 54 5.069 4.460 -30.769 503 HG13 VAL 54 HG13 VAL 54 6.684 4.480 -31.479 504 HG21 VAL 54 HG21 VAL 54 7.182 5.922 -33.478 505 HG22 VAL 54 HG22 VAL 54 5.939 6.976 -34.161 506 HG23 VAL 54 HG23 VAL 54 5.856 5.232 -34.418 507 H LYS 55 HN LYS 55 4.159 7.157 -34.971 508 HA LYS 55 HA LYS 55 2.495 9.141 -35.469 509 HB2 LYS 55 HB2 LYS 55 2.480 10.142 -33.290 510 HB3 LYS 55 HB1 LYS 55 4.216 10.134 -33.166 511 HG2 LYS 55 HG2 LYS 55 3.770 12.390 -33.470 512 HG3 LYS 55 HG1 LYS 55 4.102 11.885 -35.123 513 HD2 LYS 55 HD2 LYS 55 2.133 13.362 -35.006 514 HD3 LYS 55 HD1 LYS 55 1.698 11.761 -35.607 515 HE2 LYS 55 HE2 LYS 55 0.754 11.150 -33.452 516 HE3 LYS 55 HE1 LYS 55 1.343 12.644 -32.723 517 HZ1 LYS 55 HZ1 LYS 55 -0.181 13.905 -33.993 518 HZ2 LYS 55 HZ2 LYS 55 -1.054 12.630 -33.306 519 HZ3 LYS 55 HZ3 LYS 55 -0.623 12.577 -34.938 520 HA PRO 56 HA PRO 56 5.913 10.032 -38.410 521 HB2 PRO 56 HB2 PRO 56 4.625 12.171 -39.633 522 HB3 PRO 56 HB1 PRO 56 4.318 10.475 -40.047 523 HG2 PRO 56 HG2 PRO 56 2.796 12.265 -38.132 524 HG3 PRO 56 HG1 PRO 56 2.153 11.230 -39.417 525 HD2 PRO 56 HD2 PRO 56 2.082 10.386 -36.921 526 HD3 PRO 56 HD1 PRO 56 2.569 9.252 -38.210 527 H HIS 57 HN HIS 57 7.664 11.180 -37.896 528 HA HIS 57 HA HIS 57 9.082 12.872 -37.516 529 HB2 HIS 57 HB2 HIS 57 6.669 14.673 -37.111 530 HB3 HIS 57 HB1 HIS 57 8.337 15.234 -37.110 531 HD1 HIS 57 HD1 HIS 57 9.648 14.975 -39.447 532 HD2 HIS 57 HD2 HIS 57 5.530 14.448 -39.603 533 HE1 HIS 57 HE1 HIS 57 9.031 15.207 -41.871 534 HE2 HIS 57 HE2 HIS 57 6.514 15.103 -41.904 535 H VAL 58 HN VAL 58 6.925 11.771 -35.128 536 HA VAL 58 HA VAL 58 8.076 13.107 -32.862 537 HB VAL 58 HB VAL 58 5.838 11.718 -32.948 538 HG11 VAL 58 HG11 VAL 58 7.717 9.443 -32.233 539 HG12 VAL 58 HG12 VAL 58 6.786 9.573 -33.726 540 HG13 VAL 58 HG13 VAL 58 5.952 9.394 -32.181 541 HG21 VAL 58 HG21 VAL 58 5.930 11.265 -30.518 542 HG22 VAL 58 HG22 VAL 58 6.644 12.827 -30.923 543 HG23 VAL 58 HG23 VAL 58 7.687 11.452 -30.558 544 H ASN 59 HN ASN 59 9.842 12.430 -31.552 545 HA ASN 59 HA ASN 59 11.549 10.294 -32.727 546 HB2 ASN 59 HB2 ASN 59 12.379 12.652 -30.980 547 HB3 ASN 59 HB1 ASN 59 13.462 11.468 -31.700 548 HD21 ASN 59 HD21 ASN 59 13.789 11.518 -33.971 549 HD22 ASN 59 HD22 ASN 59 13.433 12.936 -34.898 550 H VAL 60 HN VAL 60 11.047 8.495 -31.650 551 HA VAL 60 HA VAL 60 10.947 8.544 -28.687 552 HB VAL 60 HB VAL 60 9.428 6.475 -28.925 553 HG11 VAL 60 HG11 VAL 60 8.596 8.679 -28.136 554 HG12 VAL 60 HG12 VAL 60 7.370 7.848 -29.097 555 HG13 VAL 60 HG13 VAL 60 8.297 9.173 -29.807 556 HG21 VAL 60 HG21 VAL 60 9.755 6.023 -31.335 557 HG22 VAL 60 HG22 VAL 60 8.998 7.563 -31.743 558 HG23 VAL 60 HG23 VAL 60 8.049 6.290 -30.970 559 H LEU 61 HN LEU 61 12.247 7.186 -27.678 560 HA LEU 61 HA LEU 61 13.993 5.402 -29.237 561 HB2 LEU 61 HB2 LEU 61 14.847 7.060 -26.846 562 HB3 LEU 61 HB1 LEU 61 15.867 6.002 -27.782 563 HG LEU 61 HG LEU 61 15.495 7.610 -29.726 564 HD11 LEU 61 HD11 LEU 61 14.393 9.426 -27.614 565 HD12 LEU 61 HD12 LEU 61 13.530 8.774 -29.006 566 HD13 LEU 61 HD13 LEU 61 14.854 9.907 -29.251 567 HD21 LEU 61 HD21 LEU 61 16.936 8.716 -27.304 568 HD22 LEU 61 HD22 LEU 61 17.208 9.206 -28.980 569 HD23 LEU 61 HD23 LEU 61 17.606 7.569 -28.467 570 H LYS 62 HN LYS 62 14.281 3.422 -28.445 571 HA LYS 62 HA LYS 62 13.589 2.772 -25.647 572 HB2 LYS 62 HB2 LYS 62 12.369 1.369 -27.159 573 HB3 LYS 62 HB1 LYS 62 13.766 1.121 -28.190 574 HG2 LYS 62 HG2 LYS 62 13.342 -0.900 -27.006 575 HG3 LYS 62 HG1 LYS 62 14.839 -0.196 -26.398 576 HD2 LYS 62 HD2 LYS 62 13.287 0.830 -24.544 577 HD3 LYS 62 HD1 LYS 62 12.147 -0.421 -25.060 578 HE2 LYS 62 HE2 LYS 62 14.910 -0.765 -23.880 579 HE3 LYS 62 HE1 LYS 62 13.369 -1.327 -23.257 580 HZ1 LYS 62 HZ1 LYS 62 14.733 -2.363 -25.667 581 HZ2 LYS 62 HZ2 LYS 62 13.245 -2.907 -25.080 582 HZ3 LYS 62 HZ3 LYS 62 14.651 -3.127 -24.168 583 H ASN 63 HN ASN 63 15.353 2.860 -24.390 584 HA ASN 63 HA ASN 63 17.436 2.651 -23.527 585 HB2 ASN 63 HB2 ASN 63 16.940 0.226 -24.144 586 HB3 ASN 63 HB1 ASN 63 17.843 0.468 -25.633 587 HD21 ASN 63 HD21 ASN 63 19.343 -1.147 -25.061 588 HD22 ASN 63 HD22 ASN 63 20.539 -0.900 -23.837 589 H GLY 64 HN GLY 64 17.031 4.625 -25.525 590 HA2 GLY 64 HA2 GLY 64 18.375 6.333 -26.329 591 HA3 GLY 64 HA1 GLY 64 19.785 5.299 -26.159 592 H ARG 65 HN ARG 65 17.706 3.414 -27.830 593 HA ARG 65 HA ARG 65 18.722 4.240 -30.477 594 HB2 ARG 65 HB2 ARG 65 19.211 1.910 -29.882 595 HB3 ARG 65 HB1 ARG 65 17.516 1.595 -29.545 596 HG2 ARG 65 HG2 ARG 65 18.161 0.640 -31.710 597 HG3 ARG 65 HG1 ARG 65 16.964 1.912 -31.931 598 HD2 ARG 65 HD2 ARG 65 18.702 2.080 -33.640 599 HD3 ARG 65 HD1 ARG 65 18.763 3.486 -32.577 600 HE ARG 65 HE ARG 65 20.567 1.286 -31.914 601 HH11 ARG 65 HH11 ARG 65 20.251 4.454 -33.426 602 HH12 ARG 65 HH12 ARG 65 21.965 4.709 -33.508 603 HH21 ARG 65 HH21 ARG 65 22.804 1.646 -32.054 604 HH22 ARG 65 HH22 ARG 65 23.401 3.130 -32.729 605 H GLU 66 HN GLU 66 17.362 5.359 -31.705 606 HA GLU 66 HA GLU 66 14.709 5.915 -30.842 607 HB2 GLU 66 HB2 GLU 66 16.516 7.387 -32.148 608 HB3 GLU 66 HB1 GLU 66 15.695 6.758 -33.567 609 HG2 GLU 66 HG2 GLU 66 13.581 7.748 -32.805 610 HG3 GLU 66 HG1 GLU 66 14.342 8.272 -31.316 611 H VAL 67 HN VAL 67 13.122 4.484 -31.077 612 HA VAL 67 HA VAL 67 13.191 2.275 -32.863 613 HB VAL 67 HB VAL 67 10.957 1.666 -31.964 614 HG11 VAL 67 HG11 VAL 67 11.678 1.294 -29.606 615 HG12 VAL 67 HG12 VAL 67 13.037 2.398 -29.867 616 HG13 VAL 67 HG13 VAL 67 12.937 0.891 -30.782 617 HG21 VAL 67 HG21 VAL 67 10.010 3.923 -31.621 618 HG22 VAL 67 HG22 VAL 67 11.174 4.235 -30.331 619 HG23 VAL 67 HG23 VAL 67 9.946 2.982 -30.130 620 H VAL 68 HN VAL 68 12.316 5.407 -33.592 621 HA VAL 68 HA VAL 68 10.230 4.958 -35.482 622 HB VAL 68 HB VAL 68 10.758 7.144 -36.408 623 HG11 VAL 68 HG11 VAL 68 11.107 7.160 -33.384 624 HG12 VAL 68 HG12 VAL 68 9.575 7.163 -34.264 625 HG13 VAL 68 HG13 VAL 68 10.653 8.556 -34.366 626 HG21 VAL 68 HG21 VAL 68 13.211 6.992 -36.576 627 HG22 VAL 68 HG22 VAL 68 13.361 7.062 -34.820 628 HG23 VAL 68 HG23 VAL 68 12.756 8.462 -35.710 629 H HIS 69 HN HIS 69 13.610 4.197 -35.514 630 HA HIS 69 HA HIS 69 13.832 3.941 -38.434 631 HB2 HIS 69 HB2 HIS 69 15.865 3.226 -36.269 632 HB3 HIS 69 HB1 HIS 69 16.183 3.345 -37.997 633 HD1 HIS 69 HD1 HIS 69 15.814 5.877 -38.995 634 HD2 HIS 69 HD2 HIS 69 16.395 5.508 -34.897 635 HE1 HIS 69 HE1 HIS 69 16.449 8.176 -38.198 636 HE2 HIS 69 HE2 HIS 69 16.626 7.966 -35.693 637 H LEU 70 HN LEU 70 12.602 2.100 -35.952 638 HA LEU 70 HA LEU 70 12.568 -0.341 -37.526 639 HB2 LEU 70 HB2 LEU 70 13.203 -1.766 -35.574 640 HB3 LEU 70 HB1 LEU 70 14.526 -0.815 -36.211 641 HG LEU 70 HG LEU 70 13.010 0.187 -33.775 642 HD11 LEU 70 HD11 LEU 70 15.293 -1.809 -33.682 643 HD12 LEU 70 HD12 LEU 70 13.613 -2.125 -33.233 644 HD13 LEU 70 HD13 LEU 70 14.571 -0.982 -32.295 645 HD21 LEU 70 HD21 LEU 70 14.617 1.730 -34.822 646 HD22 LEU 70 HD22 LEU 70 15.902 0.529 -34.652 647 HD23 LEU 70 HD23 LEU 70 15.160 1.242 -33.216 648 H ASP 71 HN ASP 71 11.455 -1.815 -35.135 649 HA ASP 71 HA ASP 71 8.714 -1.158 -35.438 650 HB2 ASP 71 HB2 ASP 71 10.018 -2.845 -33.260 651 HB3 ASP 71 HB1 ASP 71 8.324 -2.888 -33.739 652 H GLY 72 HN GLY 72 7.901 0.748 -34.646 653 HA2 GLY 72 HA2 GLY 72 8.929 2.075 -32.303 654 HA3 GLY 72 HA1 GLY 72 7.533 2.560 -33.241 655 H MET 73 HN MET 73 6.013 0.212 -33.041 656 HA MET 73 HA MET 73 4.749 0.723 -30.503 657 HB2 MET 73 HB2 MET 73 4.054 -0.853 -32.979 658 HB3 MET 73 HB1 MET 73 3.178 -1.215 -31.497 659 HG2 MET 73 HG2 MET 73 3.375 1.603 -32.583 660 HG3 MET 73 HG1 MET 73 2.099 0.476 -33.062 661 HE1 MET 73 HE1 MET 73 2.310 3.442 -31.150 662 HE2 MET 73 HE2 MET 73 0.875 3.210 -30.149 663 HE3 MET 73 HE3 MET 73 0.795 2.951 -31.893 664 H ALA 74 HN ALA 74 6.533 -2.027 -31.910 665 HA ALA 74 HA ALA 74 6.804 -3.207 -29.228 666 HB1 ALA 74 HB1 ALA 74 4.741 -4.245 -30.100 667 HB2 ALA 74 HB2 ALA 74 6.032 -5.434 -29.915 668 HB3 ALA 74 HB3 ALA 74 5.622 -4.819 -31.518 669 H THR 75 HN THR 75 8.955 -2.403 -29.651 670 HA THR 75 HA THR 75 10.604 -3.737 -31.599 671 HB THR 75 HB THR 75 11.242 -1.483 -31.179 672 HG1 THR 75 HG1 THR 75 12.981 -3.058 -31.336 673 HG21 THR 75 HG21 THR 75 11.512 -2.130 -28.218 674 HG22 THR 75 HG22 THR 75 10.245 -1.136 -28.942 675 HG23 THR 75 HG23 THR 75 11.923 -0.593 -28.982 676 H ALA 76 HN ALA 76 10.673 -3.717 -27.984 677 HA ALA 76 HA ALA 76 11.469 -6.308 -27.466 678 HB1 ALA 76 HB1 ALA 76 13.387 -5.922 -28.974 679 HB2 ALA 76 HB2 ALA 76 13.950 -6.154 -27.320 680 HB3 ALA 76 HB3 ALA 76 13.891 -4.532 -28.013 681 H LEU 77 HN LEU 77 10.020 -4.166 -26.229 682 HA LEU 77 HA LEU 77 11.562 -2.887 -24.175 683 HB2 LEU 77 HB2 LEU 77 9.515 -1.861 -25.137 684 HB3 LEU 77 HB1 LEU 77 8.542 -3.157 -24.454 685 HG LEU 77 HG LEU 77 9.151 -2.418 -22.161 686 HD11 LEU 77 HD11 LEU 77 11.353 -1.475 -22.570 687 HD12 LEU 77 HD12 LEU 77 10.312 -0.277 -21.805 688 HD13 LEU 77 HD13 LEU 77 10.646 -0.174 -23.538 689 HD21 LEU 77 HD21 LEU 77 7.114 -1.517 -23.227 690 HD22 LEU 77 HD22 LEU 77 8.045 -0.146 -23.835 691 HD23 LEU 77 HD23 LEU 77 7.835 -0.372 -22.101 692 H ASP 78 HN ASP 78 11.758 -3.453 -21.988 693 HA ASP 78 HA ASP 78 10.412 -5.797 -20.922 694 HB2 ASP 78 HB2 ASP 78 12.466 -6.542 -22.335 695 HB3 ASP 78 HB1 ASP 78 13.457 -5.805 -21.081 696 H ASP 79 HN ASP 79 11.738 -6.248 -18.613 697 HA ASP 79 HA ASP 79 10.956 -4.080 -16.992 698 HB2 ASP 79 HB2 ASP 79 10.872 -6.428 -16.244 699 HB3 ASP 79 HB1 ASP 79 12.626 -6.530 -16.301 700 H GLY 80 HN GLY 80 12.072 -2.646 -15.727 701 HA2 GLY 80 HA2 GLY 80 13.736 -1.250 -14.994 702 HA3 GLY 80 HA1 GLY 80 14.920 -2.416 -15.547 703 H ASP 81 HN ASP 81 13.080 -1.755 -18.207 704 HA ASP 81 HA ASP 81 15.319 -0.396 -19.418 705 HB2 ASP 81 HB2 ASP 81 12.811 -1.712 -20.467 706 HB3 ASP 81 HB1 ASP 81 13.737 -0.677 -21.528 707 H ALA 82 HN ALA 82 15.377 1.539 -20.444 708 HA ALA 82 HA ALA 82 13.518 3.574 -19.431 709 HB1 ALA 82 HB1 ALA 82 16.314 3.871 -20.600 710 HB2 ALA 82 HB2 ALA 82 15.891 3.866 -18.886 711 HB3 ALA 82 HB3 ALA 82 15.329 5.175 -19.924 712 H VAL 83 HN VAL 83 11.887 4.027 -20.828 713 HA VAL 83 HA VAL 83 12.314 4.102 -23.746 714 HB VAL 83 HB VAL 83 9.714 4.633 -22.221 715 HG11 VAL 83 HG11 VAL 83 8.610 4.192 -24.394 716 HG12 VAL 83 HG12 VAL 83 10.185 3.975 -25.161 717 HG13 VAL 83 HG13 VAL 83 9.729 5.552 -24.513 718 HG21 VAL 83 HG21 VAL 83 10.654 2.014 -23.447 719 HG22 VAL 83 HG22 VAL 83 9.055 2.318 -22.761 720 HG23 VAL 83 HG23 VAL 83 10.480 2.356 -21.722 721 H SER 84 HN SER 84 13.275 5.964 -24.353 722 HA SER 84 HA SER 84 12.692 8.547 -23.113 723 HB2 SER 84 HB2 SER 84 14.378 7.952 -25.571 724 HB3 SER 84 HB1 SER 84 14.429 9.394 -24.583 725 HG SER 84 HG SER 84 14.858 6.958 -23.306 726 H VAL 85 HN VAL 85 11.568 10.252 -24.189 727 HA VAL 85 HA VAL 85 10.536 9.810 -26.898 728 HB VAL 85 HB VAL 85 8.258 10.579 -26.353 729 HG11 VAL 85 HG11 VAL 85 8.978 8.184 -24.619 730 HG12 VAL 85 HG12 VAL 85 8.608 8.136 -26.342 731 HG13 VAL 85 HG13 VAL 85 7.359 8.603 -25.187 732 HG21 VAL 85 HG21 VAL 85 9.122 10.548 -23.443 733 HG22 VAL 85 HG22 VAL 85 7.473 10.806 -24.017 734 HG23 VAL 85 HG23 VAL 85 8.729 11.980 -24.407 735 H PHE 86 HN PHE 86 10.436 11.611 -28.061 736 HA PHE 86 HA PHE 86 10.695 14.295 -26.870 737 HB2 PHE 86 HB2 PHE 86 11.969 13.400 -29.515 738 HB3 PHE 86 HB1 PHE 86 12.002 15.026 -28.862 739 HD1 PHE 86 HD2 PHE 86 13.045 11.537 -27.930 740 HD2 PHE 86 HD1 PHE 86 14.015 15.707 -27.811 741 HE1 PHE 86 HE2 PHE 86 15.225 11.014 -26.941 742 HE2 PHE 86 HE1 PHE 86 16.215 15.151 -26.834 743 HZ PHE 86 HZ PHE 86 16.811 12.783 -26.417 744 HA PRO 87 HA PRO 87 6.879 14.701 -29.353 745 HB2 PRO 87 HB2 PRO 87 6.823 17.480 -29.570 746 HB3 PRO 87 HB1 PRO 87 6.311 16.594 -28.126 747 HG2 PRO 87 HG2 PRO 87 8.963 17.889 -28.716 748 HG3 PRO 87 HG1 PRO 87 7.982 17.958 -27.236 749 HD2 PRO 87 HD2 PRO 87 10.087 16.325 -27.379 750 HD3 PRO 87 HD1 PRO 87 8.598 15.812 -26.551 751 HA PRO 88 HA PRO 88 8.172 15.128 -33.606 752 HB2 PRO 88 HB2 PRO 88 5.928 16.152 -34.833 753 HB3 PRO 88 HB1 PRO 88 6.052 14.475 -34.279 754 HG2 PRO 88 HG2 PRO 88 4.745 16.829 -32.923 755 HG3 PRO 88 HG1 PRO 88 4.137 15.169 -33.115 756 HD2 PRO 88 HD2 PRO 88 5.296 16.030 -30.798 757 HD3 PRO 88 HD1 PRO 88 5.460 14.349 -31.368 758 H VAL 89 HN VAL 89 9.485 16.575 -34.530 759 HA VAL 89 HA VAL 89 9.449 19.376 -33.728 760 HB VAL 89 HB VAL 89 11.603 19.569 -34.941 761 HG11 VAL 89 HG11 VAL 89 11.492 17.139 -33.107 762 HG12 VAL 89 HG12 VAL 89 11.638 18.823 -32.595 763 HG13 VAL 89 HG13 VAL 89 12.944 18.064 -33.506 764 HG21 VAL 89 HG21 VAL 89 12.673 17.574 -35.975 765 HG22 VAL 89 HG22 VAL 89 11.185 18.022 -36.811 766 HG23 VAL 89 HG23 VAL 89 11.192 16.646 -35.706 767 H ALA 90 HN ALA 90 8.151 17.546 -36.229 768 HA ALA 90 HA ALA 90 7.356 19.931 -37.738 769 HB1 ALA 90 HB1 ALA 90 8.521 17.430 -39.036 770 HB2 ALA 90 HB2 ALA 90 9.307 19.009 -38.953 771 HB3 ALA 90 HB3 ALA 90 7.827 18.809 -39.894 772 H GLY 91 HN GLY 91 5.509 19.400 -39.205 773 HA2 GLY 91 HA2 GLY 91 3.998 17.014 -39.075 774 HA3 GLY 91 HA1 GLY 91 3.373 18.142 -37.874 775 H GLY 92 HN GLY 92 3.239 20.483 -38.826 776 HA2 GLY 92 HA2 GLY 92 3.101 21.457 -41.257 777 HA3 GLY 92 HA1 GLY 92 1.684 20.414 -41.330 Start of MODEL 17 1 H1 GLY -13 HT1 GLY -13 -5.344 -14.287 -8.030 2 H2 GLY -13 HT2 GLY -13 -4.304 -13.099 -7.421 3 H3 GLY -13 HT3 GLY -13 -5.405 -13.873 -6.389 4 HA2 GLY -13 HA1 GLY -13 -3.168 -14.720 -6.072 5 HA3 GLY -13 HA2 GLY -13 -4.280 -15.955 -6.645 6 H GLY -12 HN GLY -12 -1.749 -13.692 -7.654 7 HA2 GLY -12 HA2 GLY -12 -0.142 -13.766 -9.279 8 HA3 GLY -12 HA1 GLY -12 -0.482 -15.482 -9.452 9 H GLY -11 HN GLY -11 -0.620 -15.730 -11.631 10 HA2 GLY -11 HA2 GLY -11 -1.638 -15.799 -13.691 11 HA3 GLY -11 HA1 GLY -11 -2.932 -14.792 -13.059 12 H ARG -10 HN ARG -10 -3.053 -12.777 -13.849 13 HA ARG -10 HA ARG -10 -0.666 -11.175 -14.287 14 HB2 ARG -10 HB2 ARG -10 -2.537 -11.941 -16.518 15 HB3 ARG -10 HB1 ARG -10 -2.026 -10.257 -16.465 16 HG2 ARG -10 HG2 ARG -10 0.357 -11.041 -16.456 17 HG3 ARG -10 HG1 ARG -10 -0.217 -12.689 -16.688 18 HD2 ARG -10 HD2 ARG -10 -1.074 -12.155 -18.869 19 HD3 ARG -10 HD1 ARG -10 -0.865 -10.424 -18.596 20 HE ARG -10 HE ARG -10 1.562 -10.812 -18.575 21 HH11 ARG -10 HH11 ARG -10 -0.445 -13.177 -20.240 22 HH12 ARG -10 HH12 ARG -10 0.867 -13.773 -21.207 23 HH21 ARG -10 HH21 ARG -10 3.255 -11.600 -19.848 24 HH22 ARG -10 HH22 ARG -10 2.963 -12.879 -20.991 25 H ASP -9 HN ASP -9 -0.918 -9.411 -13.232 26 HA ASP -9 HA ASP -9 -3.530 -8.141 -12.784 27 HB2 ASP -9 HB2 ASP -9 -3.194 -9.718 -10.896 28 HB3 ASP -9 HB1 ASP -9 -1.628 -8.986 -10.567 29 H TYR -8 HN TYR -8 -3.249 -5.933 -11.891 30 HA TYR -8 HA TYR -8 -0.916 -4.693 -13.219 31 HB2 TYR -8 HB2 TYR -8 -3.766 -3.659 -12.866 32 HB3 TYR -8 HB1 TYR -8 -2.445 -2.710 -13.554 33 HD1 TYR -8 HD2 TYR -8 -4.234 -5.992 -14.055 34 HD2 TYR -8 HD1 TYR -8 -2.083 -2.790 -15.905 35 HE1 TYR -8 HE2 TYR -8 -4.724 -6.936 -16.268 36 HE2 TYR -8 HE1 TYR -8 -2.560 -3.749 -18.117 37 HH TYR -8 HH TYR -8 -3.140 -6.017 -19.065 38 H LYS -7 HN LYS -7 -2.957 -4.517 -10.315 39 HA LYS -7 HA LYS -7 -1.635 -2.094 -9.420 40 HB2 LYS -7 HB2 LYS -7 -3.257 -2.470 -7.354 41 HB3 LYS -7 HB1 LYS -7 -3.847 -1.857 -8.884 42 HG2 LYS -7 HG2 LYS -7 -5.470 -3.399 -8.145 43 HG3 LYS -7 HG1 LYS -7 -4.591 -4.218 -9.444 44 HD2 LYS -7 HD2 LYS -7 -3.413 -5.611 -7.898 45 HD3 LYS -7 HD1 LYS -7 -3.964 -4.664 -6.499 46 HE2 LYS -7 HE2 LYS -7 -5.707 -6.367 -8.312 47 HE3 LYS -7 HE1 LYS -7 -5.151 -6.818 -6.702 48 HZ1 LYS -7 HZ1 LYS -7 -7.403 -6.033 -6.661 49 HZ2 LYS -7 HZ2 LYS -7 -6.951 -4.560 -7.359 50 HZ3 LYS -7 HZ3 LYS -7 -6.406 -4.956 -5.809 51 H ASP -6 HN ASP -6 -1.846 -5.443 -8.167 52 HA ASP -6 HA ASP -6 0.718 -5.520 -7.054 53 HB2 ASP -6 HB2 ASP -6 -0.148 -3.851 -5.421 54 HB3 ASP -6 HB1 ASP -6 -1.465 -4.937 -4.989 55 H ASP -5 HN ASP -5 -2.403 -6.627 -5.642 56 HA ASP -5 HA ASP -5 -3.247 -8.686 -5.129 57 HB2 ASP -5 HB2 ASP -5 -3.393 -8.770 -7.625 58 HB3 ASP -5 HB1 ASP -5 -1.795 -9.493 -7.697 59 H ASP -4 HN ASP -4 -2.407 -11.273 -4.921 60 HA ASP -4 HA ASP -4 -0.177 -11.604 -3.302 61 HB2 ASP -4 HB2 ASP -4 -1.903 -13.361 -3.693 62 HB3 ASP -4 HB1 ASP -4 -1.327 -13.560 -5.342 63 H ASP -3 HN ASP -3 -0.401 -11.750 -6.879 64 HA ASP -3 HA ASP -3 2.268 -10.633 -7.084 65 HB2 ASP -3 HB2 ASP -3 2.690 -13.113 -7.192 66 HB3 ASP -3 HB1 ASP -3 1.654 -13.207 -8.616 67 H LYS -2 HN LYS -2 2.382 -9.208 -8.675 68 HA LYS -2 HA LYS -2 0.038 -8.702 -10.372 69 HB2 LYS -2 HB2 LYS -2 1.397 -6.494 -10.849 70 HB3 LYS -2 HB1 LYS -2 0.597 -6.709 -9.298 71 HG2 LYS -2 HG2 LYS -2 2.752 -7.418 -8.292 72 HG3 LYS -2 HG1 LYS -2 3.552 -7.124 -9.838 73 HD2 LYS -2 HD2 LYS -2 3.144 -4.770 -9.711 74 HD3 LYS -2 HD1 LYS -2 2.014 -4.958 -8.366 75 HE2 LYS -2 HE2 LYS -2 4.990 -5.559 -8.228 76 HE3 LYS -2 HE1 LYS -2 4.234 -4.070 -7.660 77 HZ1 LYS -2 HZ1 LYS -2 3.621 -6.790 -6.617 78 HZ2 LYS -2 HZ2 LYS -2 2.982 -5.334 -6.042 79 HZ3 LYS -2 HZ3 LYS -2 4.632 -5.663 -5.866 80 H GLY -1 HN GLY -1 3.598 -8.958 -10.723 81 HA2 GLY -1 HA2 GLY -1 4.886 -9.731 -12.468 82 HA3 GLY -1 HA1 GLY -1 3.424 -10.267 -13.266 83 H THR 0 HN THR 0 3.392 -7.002 -12.349 84 HA THR 0 HA THR 0 3.664 -5.970 -15.025 85 HB THR 0 HB THR 0 3.443 -3.712 -13.802 86 HG1 THR 0 HG1 THR 0 2.427 -4.313 -11.563 87 HG21 THR 0 HG21 THR 0 1.246 -5.754 -13.345 88 HG22 THR 0 HG22 THR 0 1.479 -4.792 -14.805 89 HG23 THR 0 HG23 THR 0 1.050 -4.002 -13.289 90 H MET 1 HN MET 1 5.376 -4.821 -15.830 91 HA MET 1 HA MET 1 7.957 -5.053 -14.465 92 HB2 MET 1 HB2 MET 1 8.908 -4.571 -16.695 93 HB3 MET 1 HB1 MET 1 7.810 -5.939 -16.740 94 HG2 MET 1 HG2 MET 1 6.066 -4.505 -17.727 95 HG3 MET 1 HG1 MET 1 7.179 -3.132 -17.686 96 HE1 MET 1 HE1 MET 1 6.688 -2.747 -20.199 97 HE2 MET 1 HE2 MET 1 5.700 -4.186 -20.436 98 HE3 MET 1 HE3 MET 1 7.075 -3.872 -21.495 99 H GLU 2 HN GLU 2 9.270 -3.292 -14.029 100 HA GLU 2 HA GLU 2 8.001 -0.643 -13.872 101 HB2 GLU 2 HB2 GLU 2 9.115 -1.662 -11.858 102 HB3 GLU 2 HB1 GLU 2 10.642 -1.654 -12.723 103 HG2 GLU 2 HG2 GLU 2 10.440 0.869 -12.871 104 HG3 GLU 2 HG1 GLU 2 9.068 0.742 -11.765 105 H LEU 3 HN LEU 3 8.587 0.996 -15.284 106 HA LEU 3 HA LEU 3 10.968 0.609 -17.018 107 HB2 LEU 3 HB2 LEU 3 8.504 2.069 -18.015 108 HB3 LEU 3 HB1 LEU 3 9.801 1.318 -18.928 109 HG LEU 3 HG LEU 3 8.777 -0.945 -17.972 110 HD11 LEU 3 HD11 LEU 3 6.364 0.887 -17.781 111 HD12 LEU 3 HD12 LEU 3 7.169 0.079 -16.435 112 HD13 LEU 3 HD13 LEU 3 6.340 -0.877 -17.661 113 HD21 LEU 3 HD21 LEU 3 7.465 0.639 -20.197 114 HD22 LEU 3 HD22 LEU 3 7.299 -1.097 -19.943 115 HD23 LEU 3 HD23 LEU 3 8.872 -0.421 -20.334 116 H GLU 4 HN GLU 4 12.150 2.498 -17.528 117 HA GLU 4 HA GLU 4 11.389 4.954 -16.090 118 HB2 GLU 4 HB2 GLU 4 13.715 4.224 -15.796 119 HB3 GLU 4 HB1 GLU 4 13.973 4.255 -17.534 120 HG2 GLU 4 HG2 GLU 4 13.850 6.632 -17.623 121 HG3 GLU 4 HG1 GLU 4 13.144 6.734 -16.009 122 H LEU 5 HN LEU 5 10.091 6.315 -17.200 123 HA LEU 5 HA LEU 5 10.316 6.457 -20.138 124 HB2 LEU 5 HB2 LEU 5 8.143 7.657 -18.428 125 HB3 LEU 5 HB1 LEU 5 8.151 7.485 -20.174 126 HG LEU 5 HG LEU 5 7.884 5.265 -18.119 127 HD11 LEU 5 HD11 LEU 5 5.861 6.583 -18.446 128 HD12 LEU 5 HD12 LEU 5 5.661 4.958 -19.098 129 HD13 LEU 5 HD13 LEU 5 5.940 6.316 -20.191 130 HD21 LEU 5 HD21 LEU 5 7.626 3.699 -20.008 131 HD22 LEU 5 HD22 LEU 5 9.237 4.409 -19.971 132 HD23 LEU 5 HD23 LEU 5 8.047 4.985 -21.142 133 H ARG 6 HN ARG 6 11.578 7.963 -20.850 134 HA ARG 6 HA ARG 6 12.200 10.361 -19.296 135 HB2 ARG 6 HB2 ARG 6 13.653 9.078 -21.651 136 HB3 ARG 6 HB1 ARG 6 14.199 10.493 -20.755 137 HG2 ARG 6 HG2 ARG 6 14.459 9.130 -18.724 138 HG3 ARG 6 HG1 ARG 6 13.867 7.709 -19.582 139 HD2 ARG 6 HD2 ARG 6 15.805 7.656 -20.997 140 HD3 ARG 6 HD1 ARG 6 16.341 9.243 -20.433 141 HE ARG 6 HE ARG 6 16.160 7.004 -18.525 142 HH11 ARG 6 HH11 ARG 6 18.208 9.278 -20.270 143 HH12 ARG 6 HH12 ARG 6 19.599 8.952 -19.289 144 HH21 ARG 6 HH21 ARG 6 17.983 6.605 -17.256 145 HH22 ARG 6 HH22 ARG 6 19.477 7.434 -17.583 146 H PHE 7 HN PHE 7 11.146 12.147 -19.889 147 HA PHE 7 HA PHE 7 10.004 12.438 -22.622 148 HB2 PHE 7 HB2 PHE 7 9.194 13.766 -19.991 149 HB3 PHE 7 HB1 PHE 7 8.456 14.084 -21.559 150 HD1 PHE 7 HD2 PHE 7 8.878 11.568 -18.899 151 HD2 PHE 7 HD1 PHE 7 6.854 12.546 -22.528 152 HE1 PHE 7 HE2 PHE 7 7.331 9.695 -18.563 153 HE2 PHE 7 HE1 PHE 7 5.294 10.667 -22.168 154 HZ PHE 7 HZ PHE 7 5.545 9.235 -20.179 155 H PHE 8 HN PHE 8 10.560 14.179 -23.836 156 HA PHE 8 HA PHE 8 12.294 16.272 -22.653 157 HB2 PHE 8 HB2 PHE 8 12.832 14.893 -25.326 158 HB3 PHE 8 HB1 PHE 8 13.797 16.181 -24.603 159 HD1 PHE 8 HD1 PHE 8 14.899 15.703 -22.297 160 HD2 PHE 8 HD2 PHE 8 13.317 12.621 -24.803 161 HE1 PHE 8 HE1 PHE 8 16.163 14.012 -21.028 162 HE2 PHE 8 HE2 PHE 8 14.589 10.948 -23.545 163 HZ PHE 8 HZ PHE 8 16.005 11.631 -21.640 164 H ALA 9 HN ALA 9 12.384 18.234 -23.934 165 HA ALA 9 HA ALA 9 11.446 20.049 -24.832 166 HB1 ALA 9 HB1 ALA 9 10.243 18.122 -26.825 167 HB2 ALA 9 HB2 ALA 9 11.852 18.843 -26.921 168 HB3 ALA 9 HB3 ALA 9 10.417 19.863 -27.046 169 H THR 10 HN THR 10 8.486 19.120 -26.213 170 HA THR 10 HA THR 10 6.965 20.543 -24.267 171 HB THR 10 HB THR 10 5.926 18.861 -26.589 172 HG1 THR 10 HG1 THR 10 6.892 21.522 -26.446 173 HG21 THR 10 HG21 THR 10 4.147 19.483 -24.973 174 HG22 THR 10 HG22 THR 10 3.948 20.350 -26.495 175 HG23 THR 10 HG23 THR 10 4.623 21.183 -25.095 176 H PHE 11 HN PHE 11 7.188 17.120 -25.230 177 HA PHE 11 HA PHE 11 5.240 16.010 -23.576 178 HB2 PHE 11 HB2 PHE 11 7.832 14.852 -24.656 179 HB3 PHE 11 HB1 PHE 11 6.724 13.888 -23.698 180 HD1 PHE 11 HD1 PHE 11 4.831 16.123 -25.769 181 HD2 PHE 11 HD2 PHE 11 7.039 12.464 -25.877 182 HE1 PHE 11 HE1 PHE 11 3.623 15.430 -27.796 183 HE2 PHE 11 HE2 PHE 11 5.818 11.788 -27.900 184 HZ PHE 11 HZ PHE 11 4.103 13.264 -28.853 185 H ARG 12 HN ARG 12 8.475 17.122 -22.840 186 HA ARG 12 HA ARG 12 8.916 15.876 -20.338 187 HB2 ARG 12 HB2 ARG 12 10.692 16.908 -21.695 188 HB3 ARG 12 HB1 ARG 12 9.998 18.487 -21.438 189 HG2 ARG 12 HG2 ARG 12 10.399 18.023 -18.916 190 HG3 ARG 12 HG1 ARG 12 11.431 16.708 -19.470 191 HD2 ARG 12 HD2 ARG 12 12.856 18.598 -19.104 192 HD3 ARG 12 HD1 ARG 12 12.713 18.398 -20.851 193 HE ARG 12 HE ARG 12 10.914 20.303 -19.541 194 HH11 ARG 12 HH11 ARG 12 13.712 19.849 -21.613 195 HH12 ARG 12 HH12 ARG 12 13.870 21.538 -21.967 196 HH21 ARG 12 HH21 ARG 12 11.148 22.511 -19.995 197 HH22 ARG 12 HH22 ARG 12 12.421 23.036 -21.056 198 H GLU 13 HN GLU 13 7.843 19.157 -21.174 199 HA GLU 13 HA GLU 13 7.461 19.947 -18.438 200 HB2 GLU 13 HB2 GLU 13 6.674 22.115 -19.432 201 HB3 GLU 13 HB1 GLU 13 8.277 21.612 -19.930 202 HG2 GLU 13 HG2 GLU 13 7.494 22.284 -21.959 203 HG3 GLU 13 HG1 GLU 13 6.948 20.618 -22.018 204 H VAL 14 HN VAL 14 5.455 18.483 -20.809 205 HA VAL 14 HA VAL 14 2.913 18.951 -19.668 206 HB VAL 14 HB VAL 14 4.016 16.624 -21.303 207 HG11 VAL 14 HG11 VAL 14 1.138 16.983 -20.396 208 HG12 VAL 14 HG12 VAL 14 2.237 15.686 -19.927 209 HG13 VAL 14 HG13 VAL 14 1.696 15.813 -21.598 210 HG21 VAL 14 HG21 VAL 14 3.753 18.765 -22.499 211 HG22 VAL 14 HG22 VAL 14 2.055 18.837 -22.033 212 HG23 VAL 14 HG23 VAL 14 2.621 17.560 -23.114 213 H VAL 15 HN VAL 15 5.182 16.239 -19.254 214 HA VAL 15 HA VAL 15 3.773 15.050 -17.039 215 HB VAL 15 HB VAL 15 6.548 14.494 -18.204 216 HG11 VAL 15 HG11 VAL 15 6.444 13.597 -15.912 217 HG12 VAL 15 HG12 VAL 15 6.442 12.282 -17.087 218 HG13 VAL 15 HG13 VAL 15 4.939 12.755 -16.288 219 HG21 VAL 15 HG21 VAL 15 3.877 13.104 -18.678 220 HG22 VAL 15 HG22 VAL 15 5.428 12.611 -19.362 221 HG23 VAL 15 HG23 VAL 15 4.719 14.157 -19.819 222 H GLY 16 HN GLY 16 6.013 17.599 -17.363 223 HA2 GLY 16 HA2 GLY 16 7.032 19.024 -15.894 224 HA3 GLY 16 HA1 GLY 16 6.204 18.198 -14.580 225 H GLN 17 HN GLN 17 8.013 16.146 -16.636 226 HA GLN 17 HA GLN 17 10.353 16.039 -14.849 227 HB2 GLN 17 HB2 GLN 17 8.599 13.631 -15.540 228 HB3 GLN 17 HB1 GLN 17 10.139 13.544 -14.699 229 HG2 GLN 17 HG2 GLN 17 7.697 14.971 -13.599 230 HG3 GLN 17 HG1 GLN 17 8.085 13.285 -13.271 231 HE21 GLN 17 HE21 GLN 17 8.364 13.507 -11.089 232 HE22 GLN 17 HE22 GLN 17 9.652 14.399 -10.360 233 H LYS 18 HN LYS 18 12.215 15.335 -15.901 234 HA LYS 18 HA LYS 18 12.113 15.011 -18.805 235 HB2 LYS 18 HB2 LYS 18 14.667 14.782 -17.186 236 HB3 LYS 18 HB1 LYS 18 14.456 15.295 -18.850 237 HG2 LYS 18 HG2 LYS 18 13.236 17.355 -17.853 238 HG3 LYS 18 HG1 LYS 18 13.951 16.864 -16.321 239 HD2 LYS 18 HD2 LYS 18 15.476 17.576 -18.864 240 HD3 LYS 18 HD1 LYS 18 15.329 18.585 -17.427 241 HE2 LYS 18 HE2 LYS 18 16.680 15.862 -17.466 242 HE3 LYS 18 HE1 LYS 18 17.525 17.399 -17.614 243 HZ1 LYS 18 HZ1 LYS 18 17.571 16.543 -15.363 244 HZ2 LYS 18 HZ2 LYS 18 15.884 16.569 -15.286 245 HZ3 LYS 18 HZ3 LYS 18 16.747 18.017 -15.431 246 H SER 19 HN SER 19 12.301 13.059 -15.964 247 HA SER 19 HA SER 19 12.063 10.608 -17.517 248 HB2 SER 19 HB2 SER 19 14.249 10.781 -15.384 249 HB3 SER 19 HB1 SER 19 13.881 9.405 -16.416 250 HG SER 19 HG SER 19 14.388 11.156 -18.141 251 H ILE 20 HN ILE 20 10.961 8.995 -16.337 252 HA ILE 20 HA ILE 20 10.297 9.366 -13.482 253 HB ILE 20 HB ILE 20 7.903 8.809 -13.861 254 HG12 ILE 20 HG12 ILE 20 8.586 9.018 -16.828 255 HG13 ILE 20 HG11 ILE 20 8.093 7.556 -15.975 256 HG21 ILE 20 HG21 ILE 20 7.113 10.947 -14.781 257 HG22 ILE 20 HG22 ILE 20 8.715 11.255 -15.452 258 HG23 ILE 20 HG23 ILE 20 8.490 11.190 -13.701 259 HD11 ILE 20 HD11 ILE 20 6.280 8.427 -17.295 260 HD12 ILE 20 HD12 ILE 20 6.383 9.987 -16.482 261 HD13 ILE 20 HD13 ILE 20 5.883 8.552 -15.582 262 H TYR 21 HN TYR 21 9.282 7.318 -12.584 263 HA TYR 21 HA TYR 21 9.851 4.886 -14.196 264 HB2 TYR 21 HB2 TYR 21 9.836 5.301 -11.193 265 HB3 TYR 21 HB1 TYR 21 9.519 3.707 -11.859 266 HD1 TYR 21 HD1 TYR 21 11.976 5.586 -13.811 267 HD2 TYR 21 HD2 TYR 21 11.475 3.053 -10.393 268 HE1 TYR 21 HE1 TYR 21 14.377 5.095 -13.808 269 HE2 TYR 21 HE2 TYR 21 13.879 2.579 -10.404 270 HH TYR 21 HH TYR 21 15.723 2.561 -12.035 271 H TRP 22 HN TRP 22 8.064 4.315 -15.218 272 HA TRP 22 HA TRP 22 5.411 4.322 -13.940 273 HB2 TRP 22 HB2 TRP 22 6.415 4.370 -16.715 274 HB3 TRP 22 HB1 TRP 22 5.211 3.111 -16.511 275 HD1 TRP 22 HD1 TRP 22 5.226 6.754 -15.112 276 HE1 TRP 22 HE1 TRP 22 3.088 7.909 -15.949 277 HE3 TRP 22 HE3 TRP 22 3.276 2.935 -17.867 278 HZ2 TRP 22 HZ2 TRP 22 0.861 7.287 -17.573 279 HZ3 TRP 22 HZ3 TRP 22 1.132 3.282 -19.013 280 HH2 TRP 22 HH2 TRP 22 -0.050 5.412 -18.861 281 H ARG 23 HN ARG 23 4.125 2.217 -14.644 282 HA ARG 23 HA ARG 23 5.652 -0.232 -14.736 283 HB2 ARG 23 HB2 ARG 23 5.616 0.365 -12.285 284 HB3 ARG 23 HB1 ARG 23 3.862 0.276 -12.317 285 HG2 ARG 23 HG2 ARG 23 4.020 -2.121 -12.944 286 HG3 ARG 23 HG1 ARG 23 5.777 -2.019 -12.864 287 HD2 ARG 23 HD2 ARG 23 4.945 -2.997 -10.803 288 HD3 ARG 23 HD1 ARG 23 5.584 -1.385 -10.448 289 HE ARG 23 HE ARG 23 2.778 -1.350 -11.012 290 HH11 ARG 23 HH11 ARG 23 5.095 -1.916 -8.438 291 HH12 ARG 23 HH12 ARG 23 3.926 -1.644 -7.177 292 HH21 ARG 23 HH21 ARG 23 1.284 -0.981 -9.381 293 HH22 ARG 23 HH22 ARG 23 1.758 -1.117 -7.714 294 H VAL 24 HN VAL 24 4.641 -0.984 -16.481 295 HA VAL 24 HA VAL 24 1.703 -1.437 -16.433 296 HB VAL 24 HB VAL 24 1.800 -1.705 -18.904 297 HG11 VAL 24 HG11 VAL 24 2.924 0.978 -18.021 298 HG12 VAL 24 HG12 VAL 24 1.223 0.515 -18.032 299 HG13 VAL 24 HG13 VAL 24 2.105 0.655 -19.552 300 HG21 VAL 24 HG21 VAL 24 4.142 -2.463 -19.140 301 HG22 VAL 24 HG22 VAL 24 4.718 -0.848 -18.726 302 HG23 VAL 24 HG23 VAL 24 3.807 -1.103 -20.214 303 H ASP 25 HN ASP 25 1.168 -3.575 -17.656 304 HA ASP 25 HA ASP 25 2.393 -5.737 -16.305 305 HB2 ASP 25 HB2 ASP 25 0.040 -5.777 -17.092 306 HB3 ASP 25 HB1 ASP 25 0.588 -5.788 -18.765 307 H ASP 26 HN ASP 26 3.502 -7.593 -17.236 308 HA ASP 26 HA ASP 26 5.931 -6.815 -18.418 309 HB2 ASP 26 HB2 ASP 26 6.578 -9.133 -18.234 310 HB3 ASP 26 HB1 ASP 26 5.565 -8.762 -16.840 311 H ASP 27 HN ASP 27 3.002 -8.114 -19.812 312 HA ASP 27 HA ASP 27 4.169 -8.974 -22.333 313 HB2 ASP 27 HB2 ASP 27 2.306 -10.219 -21.331 314 HB3 ASP 27 HB1 ASP 27 1.292 -8.785 -21.346 315 H ALA 28 HN ALA 28 2.700 -6.090 -21.070 316 HA ALA 28 HA ALA 28 1.915 -4.783 -23.470 317 HB1 ALA 28 HB1 ALA 28 1.961 -2.722 -22.113 318 HB2 ALA 28 HB2 ALA 28 2.813 -3.582 -20.828 319 HB3 ALA 28 HB3 ALA 28 1.163 -4.038 -21.254 320 H THR 29 HN THR 29 3.053 -3.038 -24.598 321 HA THR 29 HA THR 29 6.011 -3.115 -24.441 322 HB THR 29 HB THR 29 6.101 -3.071 -26.939 323 HG1 THR 29 HG1 THR 29 3.299 -3.436 -26.645 324 HG21 THR 29 HG21 THR 29 5.554 -5.452 -27.339 325 HG22 THR 29 HG22 THR 29 4.680 -5.513 -25.807 326 HG23 THR 29 HG23 THR 29 6.425 -5.236 -25.820 327 H VAL 30 HN VAL 30 6.686 -1.281 -26.351 328 HA VAL 30 HA VAL 30 6.506 1.132 -25.001 329 HB VAL 30 HB VAL 30 7.159 0.690 -27.943 330 HG11 VAL 30 HG11 VAL 30 8.334 2.870 -27.900 331 HG12 VAL 30 HG12 VAL 30 7.756 3.156 -26.256 332 HG13 VAL 30 HG13 VAL 30 6.608 3.070 -27.592 333 HG21 VAL 30 HG21 VAL 30 9.002 0.942 -25.540 334 HG22 VAL 30 HG22 VAL 30 9.521 0.772 -27.220 335 HG23 VAL 30 HG23 VAL 30 8.648 -0.541 -26.429 336 H GLY 31 HN GLY 31 4.484 -0.094 -27.576 337 HA2 GLY 31 HA2 GLY 31 3.039 2.275 -28.203 338 HA3 GLY 31 HA1 GLY 31 2.616 0.633 -28.659 339 H ASP 32 HN ASP 32 2.334 -0.569 -26.166 340 HA ASP 32 HA ASP 32 -0.241 0.188 -25.269 341 HB2 ASP 32 HB2 ASP 32 1.841 -1.544 -23.857 342 HB3 ASP 32 HB1 ASP 32 0.150 -1.421 -23.382 343 H VAL 33 HN VAL 33 2.999 0.955 -24.178 344 HA VAL 33 HA VAL 33 2.382 2.226 -21.715 345 HB VAL 33 HB VAL 33 4.785 2.480 -23.584 346 HG11 VAL 33 HG11 VAL 33 4.674 4.540 -22.269 347 HG12 VAL 33 HG12 VAL 33 6.020 3.545 -21.718 348 HG13 VAL 33 HG13 VAL 33 4.529 3.617 -20.773 349 HG21 VAL 33 HG21 VAL 33 4.443 0.981 -20.952 350 HG22 VAL 33 HG22 VAL 33 5.930 1.066 -21.905 351 HG23 VAL 33 HG23 VAL 33 4.508 0.260 -22.562 352 H LEU 34 HN LEU 34 3.199 3.759 -24.908 353 HA LEU 34 HA LEU 34 2.478 6.354 -24.009 354 HB2 LEU 34 HB2 LEU 34 2.585 7.004 -26.491 355 HB3 LEU 34 HB1 LEU 34 4.044 6.437 -25.715 356 HG LEU 34 HG LEU 34 3.470 4.126 -26.809 357 HD11 LEU 34 HD11 LEU 34 2.280 4.252 -28.935 358 HD12 LEU 34 HD12 LEU 34 1.843 5.931 -28.603 359 HD13 LEU 34 HD13 LEU 34 1.222 4.634 -27.577 360 HD21 LEU 34 HD21 LEU 34 5.424 5.476 -27.408 361 HD22 LEU 34 HD22 LEU 34 4.439 6.456 -28.498 362 HD23 LEU 34 HD23 LEU 34 4.708 4.746 -28.844 363 H ARG 35 HN ARG 35 0.609 3.857 -25.637 364 HA ARG 35 HA ARG 35 -1.805 5.118 -26.102 365 HB2 ARG 35 HB2 ARG 35 -1.786 2.860 -26.713 366 HB3 ARG 35 HB1 ARG 35 -1.043 2.335 -25.216 367 HG2 ARG 35 HG2 ARG 35 -3.347 1.483 -25.509 368 HG3 ARG 35 HG1 ARG 35 -3.170 2.454 -24.047 369 HD2 ARG 35 HD2 ARG 35 -4.165 4.389 -25.234 370 HD3 ARG 35 HD1 ARG 35 -4.436 3.365 -26.666 371 HE ARG 35 HE ARG 35 -5.612 2.104 -24.475 372 HH11 ARG 35 HH11 ARG 35 -6.141 5.026 -26.352 373 HH12 ARG 35 HH12 ARG 35 -7.811 5.146 -25.901 374 HH21 ARG 35 HH21 ARG 35 -7.784 2.276 -23.897 375 HH22 ARG 35 HH22 ARG 35 -8.748 3.579 -24.515 376 H SER 36 HN SER 36 -0.607 3.853 -23.006 377 HA SER 36 HA SER 36 -2.895 4.727 -21.521 378 HB2 SER 36 HB2 SER 36 -0.208 3.691 -20.590 379 HB3 SER 36 HB1 SER 36 -1.635 3.913 -19.583 380 HG SER 36 HG SER 36 -1.276 2.104 -21.717 381 H LEU 37 HN LEU 37 0.296 6.116 -22.240 382 HA LEU 37 HA LEU 37 0.357 8.162 -20.309 383 HB2 LEU 37 HB2 LEU 37 1.730 7.743 -22.936 384 HB3 LEU 37 HB1 LEU 37 1.731 9.381 -22.321 385 HG LEU 37 HG LEU 37 3.798 8.300 -21.709 386 HD11 LEU 37 HD11 LEU 37 2.049 8.595 -19.253 387 HD12 LEU 37 HD12 LEU 37 2.920 9.892 -20.076 388 HD13 LEU 37 HD13 LEU 37 3.815 8.603 -19.277 389 HD21 LEU 37 HD21 LEU 37 3.173 5.999 -21.809 390 HD22 LEU 37 HD22 LEU 37 2.137 6.167 -20.393 391 HD23 LEU 37 HD23 LEU 37 3.884 6.336 -20.236 392 H GLU 38 HN GLU 38 -1.294 8.140 -23.503 393 HA GLU 38 HA GLU 38 -2.177 10.885 -23.213 394 HB2 GLU 38 HB2 GLU 38 -3.765 10.398 -25.089 395 HB3 GLU 38 HB1 GLU 38 -2.077 10.111 -25.468 396 HG2 GLU 38 HG2 GLU 38 -2.344 7.766 -25.482 397 HG3 GLU 38 HG1 GLU 38 -3.887 7.851 -24.629 398 H ALA 39 HN ALA 39 -3.391 7.774 -22.236 399 HA ALA 39 HA ALA 39 -6.055 8.545 -21.585 400 HB1 ALA 39 HB1 ALA 39 -6.129 6.417 -20.338 401 HB2 ALA 39 HB2 ALA 39 -4.374 6.265 -20.489 402 HB3 ALA 39 HB3 ALA 39 -5.393 6.198 -21.927 403 H GLU 40 HN GLU 40 -2.994 8.644 -19.843 404 HA GLU 40 HA GLU 40 -4.124 9.519 -17.307 405 HB2 GLU 40 HB2 GLU 40 -1.242 9.457 -18.297 406 HB3 GLU 40 HB1 GLU 40 -1.732 9.821 -16.646 407 HG2 GLU 40 HG2 GLU 40 -2.207 7.178 -18.042 408 HG3 GLU 40 HG1 GLU 40 -0.845 7.556 -16.994 409 H TYR 41 HN TYR 41 -2.024 10.933 -19.827 410 HA TYR 41 HA TYR 41 -2.163 13.543 -18.539 411 HB2 TYR 41 HB2 TYR 41 -0.233 12.386 -20.572 412 HB3 TYR 41 HB1 TYR 41 -0.212 14.087 -20.119 413 HD1 TYR 41 HD2 TYR 41 0.537 10.648 -18.981 414 HD2 TYR 41 HD1 TYR 41 0.545 14.781 -17.884 415 HE1 TYR 41 HE2 TYR 41 1.980 10.141 -17.050 416 HE2 TYR 41 HE1 TYR 41 1.981 14.269 -15.959 417 HH TYR 41 HH TYR 41 3.580 11.310 -15.575 418 H ASP 42 HN ASP 42 -3.310 15.140 -19.348 419 HA ASP 42 HA ASP 42 -4.888 15.099 -21.689 420 HB2 ASP 42 HB2 ASP 42 -5.437 16.526 -19.758 421 HB3 ASP 42 HB1 ASP 42 -3.937 17.429 -19.951 422 H GLY 43 HN GLY 43 -1.754 16.607 -20.963 423 HA2 GLY 43 HA2 GLY 43 -1.458 17.906 -23.521 424 HA3 GLY 43 HA1 GLY 43 -0.283 17.861 -22.221 425 H LEU 44 HN LEU 44 -1.197 14.694 -22.852 426 HA LEU 44 HA LEU 44 0.864 14.308 -24.954 427 HB2 LEU 44 HB2 LEU 44 0.012 12.421 -22.734 428 HB3 LEU 44 HB1 LEU 44 1.052 11.952 -24.060 429 HG LEU 44 HG LEU 44 1.704 13.981 -21.904 430 HD11 LEU 44 HD11 LEU 44 1.864 11.684 -21.116 431 HD12 LEU 44 HD12 LEU 44 3.456 12.427 -21.229 432 HD13 LEU 44 HD13 LEU 44 2.932 11.277 -22.463 433 HD21 LEU 44 HD21 LEU 44 2.669 14.745 -24.009 434 HD22 LEU 44 HD22 LEU 44 3.394 13.160 -24.285 435 HD23 LEU 44 HD23 LEU 44 3.938 14.159 -22.935 436 H ALA 45 HN ALA 45 -2.336 14.604 -24.776 437 HA ALA 45 HA ALA 45 -3.359 12.113 -25.724 438 HB1 ALA 45 HB1 ALA 45 -4.593 14.884 -25.831 439 HB2 ALA 45 HB2 ALA 45 -4.738 13.738 -24.497 440 HB3 ALA 45 HB3 ALA 45 -5.459 13.359 -26.063 441 H GLY 46 HN GLY 46 -3.043 11.258 -27.720 442 HA2 GLY 46 HA2 GLY 46 -3.413 11.018 -29.985 443 HA3 GLY 46 HA1 GLY 46 -3.916 12.692 -30.067 444 H ARG 47 HN ARG 47 -0.967 12.892 -28.713 445 HA ARG 47 HA ARG 47 0.347 13.521 -31.293 446 HB2 ARG 47 HB2 ARG 47 1.943 14.841 -29.645 447 HB3 ARG 47 HB1 ARG 47 0.372 15.508 -30.068 448 HG2 ARG 47 HG2 ARG 47 -0.576 14.736 -27.962 449 HG3 ARG 47 HG1 ARG 47 0.935 13.936 -27.538 450 HD2 ARG 47 HD2 ARG 47 0.523 16.121 -26.378 451 HD3 ARG 47 HD1 ARG 47 2.051 16.015 -27.224 452 HE ARG 47 HE ARG 47 0.486 17.230 -29.054 453 HH11 ARG 47 HH11 ARG 47 0.941 17.927 -25.634 454 HH12 ARG 47 HH12 ARG 47 0.764 19.640 -25.843 455 HH21 ARG 47 HH21 ARG 47 0.276 19.486 -29.297 456 HH22 ARG 47 HH22 ARG 47 0.392 20.519 -27.906 457 H LEU 48 HN LEU 48 0.236 10.982 -29.364 458 HA LEU 48 HA LEU 48 3.070 10.203 -29.707 459 HB2 LEU 48 HB2 LEU 48 3.164 9.211 -27.555 460 HB3 LEU 48 HB1 LEU 48 2.538 10.825 -27.330 461 HG LEU 48 HG LEU 48 1.195 8.166 -26.893 462 HD11 LEU 48 HD11 LEU 48 2.309 9.202 -25.001 463 HD12 LEU 48 HD12 LEU 48 0.567 9.163 -24.737 464 HD13 LEU 48 HD13 LEU 48 1.352 10.670 -25.212 465 HD21 LEU 48 HD21 LEU 48 -0.380 10.708 -27.280 466 HD22 LEU 48 HD22 LEU 48 -1.004 9.189 -26.640 467 HD23 LEU 48 HD23 LEU 48 -0.431 9.273 -28.302 468 H ILE 49 HN ILE 49 -0.199 9.506 -30.256 469 HA ILE 49 HA ILE 49 0.525 6.919 -31.499 470 HB ILE 49 HB ILE 49 -2.154 7.691 -30.262 471 HG12 ILE 49 HG12 ILE 49 -0.289 5.336 -29.738 472 HG13 ILE 49 HG11 ILE 49 -0.558 6.706 -28.670 473 HG21 ILE 49 HG21 ILE 49 -2.634 6.661 -32.453 474 HG22 ILE 49 HG22 ILE 49 -3.094 5.556 -31.166 475 HG23 ILE 49 HG23 ILE 49 -1.598 5.285 -32.064 476 HD11 ILE 49 HD11 ILE 49 -1.711 4.704 -27.926 477 HD12 ILE 49 HD12 ILE 49 -2.621 4.642 -29.430 478 HD13 ILE 49 HD13 ILE 49 -2.855 5.988 -28.308 479 H GLU 50 HN GLU 50 0.346 7.009 -33.702 480 HA GLU 50 HA GLU 50 -1.855 8.588 -34.883 481 HB2 GLU 50 HB2 GLU 50 0.340 9.773 -35.278 482 HB3 GLU 50 HB1 GLU 50 0.903 8.357 -36.154 483 HG2 GLU 50 HG2 GLU 50 0.185 9.975 -37.766 484 HG3 GLU 50 HG1 GLU 50 -0.988 8.660 -37.775 485 H ASP 51 HN ASP 51 -3.196 7.140 -35.761 486 HA ASP 51 HA ASP 51 -4.093 5.451 -36.982 487 HB2 ASP 51 HB2 ASP 51 -2.838 6.800 -38.726 488 HB3 ASP 51 HB1 ASP 51 -1.491 5.676 -38.575 489 H GLY 52 HN GLY 52 -2.530 4.665 -34.659 490 HA2 GLY 52 HA2 GLY 52 -2.425 2.583 -33.636 491 HA3 GLY 52 HA1 GLY 52 -2.331 1.799 -35.207 492 H GLU 53 HN GLU 53 -0.034 3.905 -35.744 493 HA GLU 53 HA GLU 53 2.122 2.440 -34.354 494 HB2 GLU 53 HB2 GLU 53 3.685 3.511 -35.889 495 HB3 GLU 53 HB1 GLU 53 2.425 2.671 -36.784 496 HG2 GLU 53 HG2 GLU 53 1.480 4.623 -37.582 497 HG3 GLU 53 HG1 GLU 53 2.041 5.599 -36.237 498 H VAL 54 HN VAL 54 4.097 4.290 -34.086 499 HA VAL 54 HA VAL 54 3.302 5.691 -31.754 500 HB VAL 54 HB VAL 54 5.651 6.712 -31.852 501 HG11 VAL 54 HG11 VAL 54 5.205 4.639 -30.608 502 HG12 VAL 54 HG12 VAL 54 6.804 4.579 -31.346 503 HG13 VAL 54 HG13 VAL 54 5.465 3.682 -32.066 504 HG21 VAL 54 HG21 VAL 54 5.999 6.714 -34.294 505 HG22 VAL 54 HG22 VAL 54 5.947 4.952 -34.321 506 HG23 VAL 54 HG23 VAL 54 7.267 5.782 -33.493 507 H LYS 55 HN LYS 55 4.321 7.045 -34.986 508 HA LYS 55 HA LYS 55 2.671 8.989 -35.592 509 HB2 LYS 55 HB2 LYS 55 2.557 9.981 -33.391 510 HB3 LYS 55 HB1 LYS 55 4.289 10.114 -33.259 511 HG2 LYS 55 HG2 LYS 55 3.641 12.324 -33.630 512 HG3 LYS 55 HG1 LYS 55 4.029 11.804 -35.268 513 HD2 LYS 55 HD2 LYS 55 1.932 13.085 -35.240 514 HD3 LYS 55 HD1 LYS 55 1.629 11.415 -35.724 515 HE2 LYS 55 HE2 LYS 55 0.862 10.891 -33.422 516 HE3 LYS 55 HE1 LYS 55 1.154 12.565 -32.948 517 HZ1 LYS 55 HZ1 LYS 55 -1.187 12.045 -33.478 518 HZ2 LYS 55 HZ2 LYS 55 -0.739 11.749 -35.080 519 HZ3 LYS 55 HZ3 LYS 55 -0.554 13.293 -34.422 520 HA PRO 56 HA PRO 56 6.252 9.861 -38.330 521 HB2 PRO 56 HB2 PRO 56 5.005 11.860 -39.785 522 HB3 PRO 56 HB1 PRO 56 4.735 10.134 -40.085 523 HG2 PRO 56 HG2 PRO 56 3.087 12.034 -38.399 524 HG3 PRO 56 HG1 PRO 56 2.535 10.904 -39.643 525 HD2 PRO 56 HD2 PRO 56 2.334 10.241 -37.099 526 HD3 PRO 56 HD1 PRO 56 2.871 9.025 -38.283 527 H HIS 57 HN HIS 57 7.902 11.235 -37.966 528 HA HIS 57 HA HIS 57 9.177 13.033 -37.529 529 HB2 HIS 57 HB2 HIS 57 6.588 14.581 -37.163 530 HB3 HIS 57 HB1 HIS 57 8.186 15.312 -37.062 531 HD1 HIS 57 HD1 HIS 57 9.246 16.035 -39.235 532 HD2 HIS 57 HD2 HIS 57 5.962 13.560 -39.849 533 HE1 HIS 57 HE1 HIS 57 8.773 16.143 -41.696 534 HE2 HIS 57 HE2 HIS 57 6.883 14.525 -42.062 535 H VAL 58 HN VAL 58 7.078 11.708 -35.215 536 HA VAL 58 HA VAL 58 8.141 13.079 -32.916 537 HB VAL 58 HB VAL 58 5.890 11.653 -33.096 538 HG11 VAL 58 HG11 VAL 58 6.006 9.374 -32.225 539 HG12 VAL 58 HG12 VAL 58 7.768 9.457 -32.173 540 HG13 VAL 58 HG13 VAL 58 6.930 9.508 -33.723 541 HG21 VAL 58 HG21 VAL 58 6.562 12.870 -31.080 542 HG22 VAL 58 HG22 VAL 58 7.603 11.535 -30.588 543 HG23 VAL 58 HG23 VAL 58 5.851 11.314 -30.647 544 H ASN 59 HN ASN 59 9.957 12.483 -31.701 545 HA ASN 59 HA ASN 59 11.630 10.284 -32.803 546 HB2 ASN 59 HB2 ASN 59 12.434 12.633 -31.022 547 HB3 ASN 59 HB1 ASN 59 13.519 11.406 -31.644 548 HD21 ASN 59 HD21 ASN 59 14.184 11.513 -33.783 549 HD22 ASN 59 HD22 ASN 59 13.888 12.893 -34.785 550 H VAL 60 HN VAL 60 11.045 8.503 -31.753 551 HA VAL 60 HA VAL 60 10.879 8.516 -28.799 552 HB VAL 60 HB VAL 60 9.264 6.525 -29.084 553 HG11 VAL 60 HG11 VAL 60 8.520 8.755 -28.295 554 HG12 VAL 60 HG12 VAL 60 7.279 7.986 -29.285 555 HG13 VAL 60 HG13 VAL 60 8.277 9.275 -29.966 556 HG21 VAL 60 HG21 VAL 60 8.954 7.670 -31.895 557 HG22 VAL 60 HG22 VAL 60 7.945 6.419 -31.163 558 HG23 VAL 60 HG23 VAL 60 9.645 6.095 -31.494 559 H LEU 61 HN LEU 61 11.903 6.856 -27.776 560 HA LEU 61 HA LEU 61 13.847 5.329 -29.371 561 HB2 LEU 61 HB2 LEU 61 14.460 6.934 -26.869 562 HB3 LEU 61 HB1 LEU 61 15.595 5.883 -27.685 563 HG LEU 61 HG LEU 61 15.338 7.481 -29.704 564 HD11 LEU 61 HD11 LEU 61 14.705 9.779 -29.242 565 HD12 LEU 61 HD12 LEU 61 14.149 9.299 -27.634 566 HD13 LEU 61 HD13 LEU 61 13.357 8.666 -29.074 567 HD21 LEU 61 HD21 LEU 61 17.016 9.048 -28.857 568 HD22 LEU 61 HD22 LEU 61 17.372 7.405 -28.330 569 HD23 LEU 61 HD23 LEU 61 16.655 8.556 -27.200 570 H LYS 62 HN LYS 62 14.686 3.497 -28.402 571 HA LYS 62 HA LYS 62 13.537 2.559 -25.850 572 HB2 LYS 62 HB2 LYS 62 12.650 1.182 -27.655 573 HB3 LYS 62 HB1 LYS 62 14.245 0.992 -28.373 574 HG2 LYS 62 HG2 LYS 62 13.594 -1.044 -27.262 575 HG3 LYS 62 HG1 LYS 62 14.964 -0.324 -26.417 576 HD2 LYS 62 HD2 LYS 62 13.039 0.751 -24.915 577 HD3 LYS 62 HD1 LYS 62 12.095 -0.605 -25.544 578 HE2 LYS 62 HE2 LYS 62 14.696 -0.756 -23.998 579 HE3 LYS 62 HE1 LYS 62 13.096 -1.210 -23.423 580 HZ1 LYS 62 HZ1 LYS 62 14.585 -2.542 -25.613 581 HZ2 LYS 62 HZ2 LYS 62 13.057 -2.982 -25.051 582 HZ3 LYS 62 HZ3 LYS 62 14.399 -3.128 -24.037 583 H ASN 63 HN ASN 63 15.162 3.102 -24.518 584 HA ASN 63 HA ASN 63 17.114 3.100 -23.393 585 HB2 ASN 63 HB2 ASN 63 16.416 0.560 -23.662 586 HB3 ASN 63 HB1 ASN 63 17.824 0.451 -24.709 587 HD21 ASN 63 HD21 ASN 63 19.902 0.676 -23.777 588 HD22 ASN 63 HD22 ASN 63 20.162 0.573 -22.071 589 H GLY 64 HN GLY 64 17.210 4.551 -25.777 590 HA2 GLY 64 HA2 GLY 64 18.878 5.911 -26.658 591 HA3 GLY 64 HA1 GLY 64 20.094 4.720 -26.230 592 H ARG 65 HN ARG 65 17.324 3.527 -27.956 593 HA ARG 65 HA ARG 65 18.643 3.870 -30.578 594 HB2 ARG 65 HB2 ARG 65 18.963 1.493 -29.557 595 HB3 ARG 65 HB1 ARG 65 17.245 1.260 -29.828 596 HG2 ARG 65 HG2 ARG 65 18.369 0.282 -31.708 597 HG3 ARG 65 HG1 ARG 65 17.663 1.784 -32.291 598 HD2 ARG 65 HD2 ARG 65 19.837 2.914 -32.090 599 HD3 ARG 65 HD1 ARG 65 20.558 1.446 -31.426 600 HE ARG 65 HE ARG 65 19.617 0.610 -33.820 601 HH11 ARG 65 HH11 ARG 65 21.637 3.366 -32.973 602 HH12 ARG 65 HH12 ARG 65 22.544 3.302 -34.454 603 HH21 ARG 65 HH21 ARG 65 20.826 0.539 -35.742 604 HH22 ARG 65 HH22 ARG 65 22.094 1.698 -36.019 605 H GLU 66 HN GLU 66 17.316 5.158 -31.626 606 HA GLU 66 HA GLU 66 14.679 5.736 -30.847 607 HB2 GLU 66 HB2 GLU 66 16.517 7.152 -32.114 608 HB3 GLU 66 HB1 GLU 66 15.769 6.502 -33.561 609 HG2 GLU 66 HG2 GLU 66 13.612 7.527 -32.902 610 HG3 GLU 66 HG1 GLU 66 14.355 8.118 -31.429 611 H VAL 67 HN VAL 67 12.969 4.461 -31.122 612 HA VAL 67 HA VAL 67 12.937 2.178 -32.829 613 HB VAL 67 HB VAL 67 10.688 1.710 -31.928 614 HG11 VAL 67 HG11 VAL 67 11.364 1.423 -29.558 615 HG12 VAL 67 HG12 VAL 67 12.752 2.483 -29.837 616 HG13 VAL 67 HG13 VAL 67 12.635 0.941 -30.688 617 HG21 VAL 67 HG21 VAL 67 10.992 4.334 -30.394 618 HG22 VAL 67 HG22 VAL 67 9.697 3.151 -30.183 619 HG23 VAL 67 HG23 VAL 67 9.844 4.033 -31.701 620 H VAL 68 HN VAL 68 12.215 5.318 -33.687 621 HA VAL 68 HA VAL 68 10.081 4.881 -35.530 622 HB VAL 68 HB VAL 68 10.721 6.992 -36.571 623 HG11 VAL 68 HG11 VAL 68 11.044 7.162 -33.547 624 HG12 VAL 68 HG12 VAL 68 9.516 7.135 -34.429 625 HG13 VAL 68 HG13 VAL 68 10.614 8.501 -34.616 626 HG21 VAL 68 HG21 VAL 68 13.291 6.866 -34.934 627 HG22 VAL 68 HG22 VAL 68 12.766 8.240 -35.908 628 HG23 VAL 68 HG23 VAL 68 13.163 6.711 -36.689 629 H HIS 69 HN HIS 69 13.440 4.051 -35.567 630 HA HIS 69 HA HIS 69 13.691 3.726 -38.459 631 HB2 HIS 69 HB2 HIS 69 15.647 2.961 -36.248 632 HB3 HIS 69 HB1 HIS 69 16.010 3.073 -37.970 633 HD1 HIS 69 HD1 HIS 69 15.379 5.701 -38.913 634 HD2 HIS 69 HD2 HIS 69 16.485 5.167 -34.940 635 HE1 HIS 69 HE1 HIS 69 16.058 7.975 -38.091 636 HE2 HIS 69 HE2 HIS 69 16.517 7.661 -35.638 637 H LEU 70 HN LEU 70 12.661 1.869 -35.789 638 HA LEU 70 HA LEU 70 12.434 -0.555 -37.432 639 HB2 LEU 70 HB2 LEU 70 12.962 -1.983 -35.473 640 HB3 LEU 70 HB1 LEU 70 14.337 -1.046 -36.016 641 HG LEU 70 HG LEU 70 12.685 -0.087 -33.648 642 HD11 LEU 70 HD11 LEU 70 14.994 -2.053 -33.479 643 HD12 LEU 70 HD12 LEU 70 13.304 -2.413 -33.129 644 HD13 LEU 70 HD13 LEU 70 14.184 -1.277 -32.113 645 HD21 LEU 70 HD21 LEU 70 15.614 0.305 -34.371 646 HD22 LEU 70 HD22 LEU 70 14.783 0.991 -32.971 647 HD23 LEU 70 HD23 LEU 70 14.324 1.493 -34.597 648 H ASP 71 HN ASP 71 11.136 -2.020 -35.237 649 HA ASP 71 HA ASP 71 8.463 -1.145 -35.448 650 HB2 ASP 71 HB2 ASP 71 9.794 -3.026 -33.460 651 HB3 ASP 71 HB1 ASP 71 8.048 -2.815 -33.595 652 H GLY 72 HN GLY 72 7.661 0.659 -34.592 653 HA2 GLY 72 HA2 GLY 72 8.862 2.114 -32.447 654 HA3 GLY 72 HA1 GLY 72 7.349 2.496 -33.241 655 H MET 73 HN MET 73 5.855 0.283 -32.780 656 HA MET 73 HA MET 73 4.960 0.932 -30.106 657 HB2 MET 73 HB2 MET 73 3.724 -0.930 -32.178 658 HB3 MET 73 HB1 MET 73 2.925 -0.318 -30.732 659 HG2 MET 73 HG2 MET 73 3.911 1.402 -33.027 660 HG3 MET 73 HG1 MET 73 2.244 0.879 -32.801 661 HE1 MET 73 HE1 MET 73 1.036 1.459 -30.187 662 HE2 MET 73 HE2 MET 73 0.514 2.347 -31.619 663 HE3 MET 73 HE3 MET 73 0.849 3.213 -30.120 664 H ALA 74 HN ALA 74 6.334 -1.955 -31.722 665 HA ALA 74 HA ALA 74 6.697 -3.211 -29.065 666 HB1 ALA 74 HB1 ALA 74 5.510 -4.701 -31.432 667 HB2 ALA 74 HB2 ALA 74 4.635 -4.197 -29.985 668 HB3 ALA 74 HB3 ALA 74 5.923 -5.395 -29.861 669 H THR 75 HN THR 75 8.801 -2.361 -29.432 670 HA THR 75 HA THR 75 10.528 -3.503 -31.445 671 HB THR 75 HB THR 75 11.126 -1.280 -30.946 672 HG1 THR 75 HG1 THR 75 12.941 -2.794 -30.910 673 HG21 THR 75 HG21 THR 75 11.147 -1.899 -27.971 674 HG22 THR 75 HG22 THR 75 9.899 -0.989 -28.818 675 HG23 THR 75 HG23 THR 75 11.536 -0.348 -28.715 676 H ALA 76 HN ALA 76 10.740 -3.593 -27.827 677 HA ALA 76 HA ALA 76 11.710 -6.232 -27.564 678 HB1 ALA 76 HB1 ALA 76 13.610 -5.346 -28.911 679 HB2 ALA 76 HB2 ALA 76 14.140 -5.764 -27.284 680 HB3 ALA 76 HB3 ALA 76 13.869 -4.075 -27.716 681 H LEU 77 HN LEU 77 10.010 -4.302 -26.177 682 HA LEU 77 HA LEU 77 11.426 -3.058 -24.019 683 HB2 LEU 77 HB2 LEU 77 9.403 -2.096 -25.156 684 HB3 LEU 77 HB1 LEU 77 8.431 -3.358 -24.413 685 HG LEU 77 HG LEU 77 8.994 -2.474 -22.156 686 HD11 LEU 77 HD11 LEU 77 11.211 -1.541 -22.646 687 HD12 LEU 77 HD12 LEU 77 10.166 -0.328 -21.913 688 HD13 LEU 77 HD13 LEU 77 10.475 -0.285 -23.652 689 HD21 LEU 77 HD21 LEU 77 7.728 -0.342 -22.306 690 HD22 LEU 77 HD22 LEU 77 6.963 -1.645 -23.204 691 HD23 LEU 77 HD23 LEU 77 7.869 -0.396 -24.060 692 H ASP 78 HN ASP 78 11.322 -3.532 -21.796 693 HA ASP 78 HA ASP 78 10.036 -5.910 -20.789 694 HB2 ASP 78 HB2 ASP 78 12.146 -6.664 -22.060 695 HB3 ASP 78 HB1 ASP 78 13.088 -5.833 -20.835 696 H ASP 79 HN ASP 79 11.143 -6.316 -18.440 697 HA ASP 79 HA ASP 79 10.686 -4.081 -16.799 698 HB2 ASP 79 HB2 ASP 79 10.447 -6.437 -16.043 699 HB3 ASP 79 HB1 ASP 79 12.184 -6.664 -16.168 700 H GLY 80 HN GLY 80 12.033 -2.657 -15.796 701 HA2 GLY 80 HA2 GLY 80 13.919 -1.515 -15.145 702 HA3 GLY 80 HA1 GLY 80 14.917 -2.787 -15.822 703 H ASP 81 HN ASP 81 12.886 -1.920 -18.264 704 HA ASP 81 HA ASP 81 15.110 -0.743 -19.683 705 HB2 ASP 81 HB2 ASP 81 12.416 -1.829 -20.510 706 HB3 ASP 81 HB1 ASP 81 13.346 -0.866 -21.646 707 H ALA 82 HN ALA 82 15.369 1.251 -20.414 708 HA ALA 82 HA ALA 82 13.558 3.367 -19.467 709 HB1 ALA 82 HB1 ALA 82 15.462 4.887 -19.889 710 HB2 ALA 82 HB2 ALA 82 16.417 3.540 -20.514 711 HB3 ALA 82 HB3 ALA 82 15.919 3.557 -18.822 712 H VAL 83 HN VAL 83 11.963 3.678 -20.964 713 HA VAL 83 HA VAL 83 12.473 3.911 -23.845 714 HB VAL 83 HB VAL 83 9.913 4.620 -22.303 715 HG11 VAL 83 HG11 VAL 83 9.968 5.598 -24.555 716 HG12 VAL 83 HG12 VAL 83 8.753 4.324 -24.468 717 HG13 VAL 83 HG13 VAL 83 10.299 4.014 -25.262 718 HG21 VAL 83 HG21 VAL 83 10.447 2.272 -21.862 719 HG22 VAL 83 HG22 VAL 83 10.608 1.957 -23.593 720 HG23 VAL 83 HG23 VAL 83 9.037 2.393 -22.917 721 H SER 84 HN SER 84 12.761 5.932 -24.876 722 HA SER 84 HA SER 84 12.358 8.404 -23.257 723 HB2 SER 84 HB2 SER 84 14.442 7.817 -25.392 724 HB3 SER 84 HB1 SER 84 14.109 9.435 -24.790 725 HG SER 84 HG SER 84 14.439 7.776 -22.717 726 H VAL 85 HN VAL 85 11.575 10.277 -24.435 727 HA VAL 85 HA VAL 85 10.421 9.877 -27.088 728 HB VAL 85 HB VAL 85 8.180 10.733 -26.473 729 HG11 VAL 85 HG11 VAL 85 8.421 8.284 -26.567 730 HG12 VAL 85 HG12 VAL 85 7.233 8.749 -25.350 731 HG13 VAL 85 HG13 VAL 85 8.851 8.244 -24.856 732 HG21 VAL 85 HG21 VAL 85 9.133 10.562 -23.596 733 HG22 VAL 85 HG22 VAL 85 7.474 10.888 -24.105 734 HG23 VAL 85 HG23 VAL 85 8.754 12.038 -24.494 735 H PHE 86 HN PHE 86 10.221 11.703 -28.221 736 HA PHE 86 HA PHE 86 10.584 14.388 -27.040 737 HB2 PHE 86 HB2 PHE 86 11.830 13.442 -29.684 738 HB3 PHE 86 HB1 PHE 86 11.900 15.073 -29.049 739 HD1 PHE 86 HD2 PHE 86 12.955 11.561 -28.247 740 HD2 PHE 86 HD1 PHE 86 13.872 15.729 -27.893 741 HE1 PHE 86 HE2 PHE 86 15.143 11.009 -27.282 742 HE2 PHE 86 HE1 PHE 86 16.074 15.150 -26.940 743 HZ PHE 86 HZ PHE 86 16.703 12.768 -26.648 744 HA PRO 87 HA PRO 87 6.656 14.688 -29.365 745 HB2 PRO 87 HB2 PRO 87 6.584 17.478 -29.685 746 HB3 PRO 87 HB1 PRO 87 6.076 16.625 -28.223 747 HG2 PRO 87 HG2 PRO 87 8.710 17.938 -28.827 748 HG3 PRO 87 HG1 PRO 87 7.741 17.976 -27.341 749 HD2 PRO 87 HD2 PRO 87 9.882 16.389 -27.509 750 HD3 PRO 87 HD1 PRO 87 8.410 15.844 -26.674 751 HA PRO 88 HA PRO 88 7.663 14.808 -33.658 752 HB2 PRO 88 HB2 PRO 88 5.422 15.948 -34.845 753 HB3 PRO 88 HB1 PRO 88 5.510 14.273 -34.280 754 HG2 PRO 88 HG2 PRO 88 4.310 16.672 -32.922 755 HG3 PRO 88 HG1 PRO 88 3.702 15.005 -33.016 756 HD2 PRO 88 HD2 PRO 88 4.974 15.970 -30.795 757 HD3 PRO 88 HD1 PRO 88 5.098 14.267 -31.296 758 H VAL 89 HN VAL 89 8.966 16.032 -34.784 759 HA VAL 89 HA VAL 89 9.319 18.853 -34.215 760 HB VAL 89 HB VAL 89 11.319 18.674 -35.692 761 HG11 VAL 89 HG11 VAL 89 11.557 18.120 -33.313 762 HG12 VAL 89 HG12 VAL 89 12.623 17.099 -34.277 763 HG13 VAL 89 HG13 VAL 89 11.119 16.439 -33.628 764 HG21 VAL 89 HG21 VAL 89 10.465 15.773 -36.120 765 HG22 VAL 89 HG22 VAL 89 11.989 16.483 -36.658 766 HG23 VAL 89 HG23 VAL 89 10.465 17.044 -37.344 767 H ALA 90 HN ALA 90 7.202 17.301 -36.129 768 HA ALA 90 HA ALA 90 7.227 18.497 -38.646 769 HB1 ALA 90 HB1 ALA 90 4.843 17.553 -37.009 770 HB2 ALA 90 HB2 ALA 90 5.802 16.570 -38.117 771 HB3 ALA 90 HB3 ALA 90 4.823 17.897 -38.742 772 H GLY 91 HN GLY 91 7.475 20.663 -38.818 773 HA2 GLY 91 HA2 GLY 91 5.863 22.583 -37.310 774 HA3 GLY 91 HA1 GLY 91 7.093 22.944 -38.516 775 H GLY 92 HN GLY 92 4.576 20.641 -39.168 776 HA2 GLY 92 HA2 GLY 92 2.528 22.051 -40.312 777 HA3 GLY 92 HA1 GLY 92 3.762 21.947 -41.570 Start of MODEL 18 1 H1 GLY -13 HT1 GLY -13 0.909 -6.585 -1.002 2 H2 GLY -13 HT2 GLY -13 -0.588 -7.003 -1.664 3 H3 GLY -13 HT3 GLY -13 0.048 -5.457 -1.922 4 HA2 GLY -13 HA1 GLY -13 1.159 -8.008 -2.944 5 HA3 GLY -13 HA2 GLY -13 0.290 -6.813 -3.892 6 H GLY -12 HN GLY -12 1.411 -5.151 -4.772 7 HA2 GLY -12 HA2 GLY -12 4.077 -4.384 -3.813 8 HA3 GLY -12 HA1 GLY -12 3.959 -5.010 -5.457 9 H GLY -11 HN GLY -11 1.460 -3.134 -3.893 10 HA2 GLY -11 HA2 GLY -11 0.847 -0.900 -4.005 11 HA3 GLY -11 HA1 GLY -11 2.252 -0.561 -5.006 12 H ARG -10 HN ARG -10 2.170 -1.337 -7.257 13 HA ARG -10 HA ARG -10 -0.561 -1.196 -8.434 14 HB2 ARG -10 HB2 ARG -10 2.132 -0.443 -9.659 15 HB3 ARG -10 HB1 ARG -10 0.566 -0.316 -10.461 16 HG2 ARG -10 HG2 ARG -10 -0.147 1.379 -8.803 17 HG3 ARG -10 HG1 ARG -10 1.420 1.244 -7.996 18 HD2 ARG -10 HD2 ARG -10 2.530 2.024 -10.078 19 HD3 ARG -10 HD1 ARG -10 0.941 2.205 -10.837 20 HE ARG -10 HE ARG -10 1.443 3.661 -8.341 21 HH11 ARG -10 HH11 ARG -10 1.083 3.831 -11.834 22 HH12 ARG -10 HH12 ARG -10 0.961 5.557 -11.853 23 HH21 ARG -10 HH21 ARG -10 1.297 5.904 -8.373 24 HH22 ARG -10 HH22 ARG -10 1.083 6.742 -9.876 25 H ASP -9 HN ASP -9 0.263 -3.559 -7.405 26 HA ASP -9 HA ASP -9 1.415 -5.354 -9.306 27 HB2 ASP -9 HB2 ASP -9 0.445 -7.140 -7.776 28 HB3 ASP -9 HB1 ASP -9 1.478 -5.967 -6.964 29 H TYR -8 HN TYR -8 -1.882 -4.277 -8.605 30 HA TYR -8 HA TYR -8 -3.856 -4.386 -9.718 31 HB2 TYR -8 HB2 TYR -8 -2.094 -5.360 -11.991 32 HB3 TYR -8 HB1 TYR -8 -3.832 -5.201 -12.178 33 HD1 TYR -8 HD1 TYR -8 -4.888 -2.958 -12.264 34 HD2 TYR -8 HD2 TYR -8 -0.650 -3.372 -11.853 35 HE1 TYR -8 HE1 TYR -8 -4.611 -0.598 -12.870 36 HE2 TYR -8 HE2 TYR -8 -0.370 -0.987 -12.467 37 HH TYR -8 HH TYR -8 -3.070 1.192 -12.683 38 H LYS -7 HN LYS -7 -2.289 -7.085 -8.687 39 HA LYS -7 HA LYS -7 -4.315 -9.013 -9.654 40 HB2 LYS -7 HB2 LYS -7 -1.270 -9.255 -9.723 41 HB3 LYS -7 HB1 LYS -7 -2.321 -10.664 -9.767 42 HG2 LYS -7 HG2 LYS -7 -3.280 -10.016 -11.864 43 HG3 LYS -7 HG1 LYS -7 -2.507 -8.430 -11.787 44 HD2 LYS -7 HD2 LYS -7 -1.386 -10.016 -13.371 45 HD3 LYS -7 HD1 LYS -7 -0.319 -9.391 -12.119 46 HE2 LYS -7 HE2 LYS -7 0.117 -11.768 -12.451 47 HE3 LYS -7 HE1 LYS -7 -0.591 -11.531 -10.855 48 HZ1 LYS -7 HZ1 LYS -7 -1.537 -13.431 -11.984 49 HZ2 LYS -7 HZ2 LYS -7 -2.034 -12.467 -13.277 50 HZ3 LYS -7 HZ3 LYS -7 -2.727 -12.246 -11.748 51 H ASP -6 HN ASP -6 -5.136 -10.249 -8.096 52 HA ASP -6 HA ASP -6 -4.379 -10.023 -5.330 53 HB2 ASP -6 HB2 ASP -6 -6.347 -11.930 -6.687 54 HB3 ASP -6 HB1 ASP -6 -6.245 -11.627 -4.953 55 H ASP -5 HN ASP -5 -3.048 -11.775 -7.809 56 HA ASP -5 HA ASP -5 -2.650 -14.382 -6.722 57 HB2 ASP -5 HB2 ASP -5 -1.118 -12.927 -8.931 58 HB3 ASP -5 HB1 ASP -5 -1.118 -14.666 -8.645 59 H ASP -4 HN ASP -4 -0.302 -15.248 -6.687 60 HA ASP -4 HA ASP -4 1.051 -14.128 -4.439 61 HB2 ASP -4 HB2 ASP -4 1.884 -16.383 -6.321 62 HB3 ASP -4 HB1 ASP -4 2.656 -16.017 -4.780 63 H ASP -3 HN ASP -3 1.277 -13.472 -7.777 64 HA ASP -3 HA ASP -3 3.802 -11.975 -7.413 65 HB2 ASP -3 HB2 ASP -3 4.296 -13.901 -8.850 66 HB3 ASP -3 HB1 ASP -3 2.921 -13.543 -9.888 67 H LYS -2 HN LYS -2 3.951 -10.051 -8.539 68 HA LYS -2 HA LYS -2 1.640 -8.401 -8.739 69 HB2 LYS -2 HB2 LYS -2 3.254 -6.677 -9.498 70 HB3 LYS -2 HB1 LYS -2 3.845 -7.540 -8.080 71 HG2 LYS -2 HG2 LYS -2 5.210 -9.001 -9.665 72 HG3 LYS -2 HG1 LYS -2 4.754 -7.881 -10.954 73 HD2 LYS -2 HD2 LYS -2 5.825 -6.035 -9.712 74 HD3 LYS -2 HD1 LYS -2 6.295 -7.172 -8.440 75 HE2 LYS -2 HE2 LYS -2 7.248 -7.136 -11.320 76 HE3 LYS -2 HE1 LYS -2 8.206 -6.812 -9.877 77 HZ1 LYS -2 HZ1 LYS -2 7.851 -9.127 -9.209 78 HZ2 LYS -2 HZ2 LYS -2 8.637 -9.020 -10.704 79 HZ3 LYS -2 HZ3 LYS -2 6.996 -9.421 -10.632 80 H GLY -1 HN GLY -1 3.648 -10.095 -11.142 81 HA2 GLY -1 HA2 GLY -1 3.314 -10.604 -13.352 82 HA3 GLY -1 HA1 GLY -1 1.631 -10.222 -13.096 83 H THR 0 HN THR 0 3.550 -7.602 -12.327 84 HA THR 0 HA THR 0 3.098 -6.284 -14.939 85 HB THR 0 HB THR 0 2.727 -4.175 -13.554 86 HG1 THR 0 HG1 THR 0 1.931 -4.905 -11.293 87 HG21 THR 0 HG21 THR 0 0.776 -5.376 -14.496 88 HG22 THR 0 HG22 THR 0 0.389 -4.669 -12.926 89 HG23 THR 0 HG23 THR 0 0.708 -6.400 -13.058 90 H MET 1 HN MET 1 4.748 -5.001 -15.679 91 HA MET 1 HA MET 1 7.267 -4.982 -14.132 92 HB2 MET 1 HB2 MET 1 8.462 -4.947 -16.292 93 HB3 MET 1 HB1 MET 1 7.504 -6.396 -16.077 94 HG2 MET 1 HG2 MET 1 7.270 -5.812 -18.326 95 HG3 MET 1 HG1 MET 1 5.762 -5.300 -17.568 96 HE1 MET 1 HE1 MET 1 6.511 -2.723 -20.483 97 HE2 MET 1 HE2 MET 1 5.420 -3.988 -19.922 98 HE3 MET 1 HE3 MET 1 7.045 -4.401 -20.472 99 H GLU 2 HN GLU 2 8.617 -3.159 -14.361 100 HA GLU 2 HA GLU 2 7.075 -0.662 -14.705 101 HB2 GLU 2 HB2 GLU 2 7.827 -1.447 -12.351 102 HB3 GLU 2 HB1 GLU 2 9.457 -1.035 -12.854 103 HG2 GLU 2 HG2 GLU 2 8.678 1.303 -13.286 104 HG3 GLU 2 HG1 GLU 2 7.082 0.843 -12.669 105 H LEU 3 HN LEU 3 7.990 0.976 -15.861 106 HA LEU 3 HA LEU 3 10.608 0.507 -17.188 107 HB2 LEU 3 HB2 LEU 3 8.178 1.889 -18.405 108 HB3 LEU 3 HB1 LEU 3 9.677 1.440 -19.206 109 HG LEU 3 HG LEU 3 7.871 -0.708 -18.072 110 HD11 LEU 3 HD11 LEU 3 6.436 0.660 -19.505 111 HD12 LEU 3 HD12 LEU 3 6.769 -0.894 -20.259 112 HD13 LEU 3 HD13 LEU 3 7.608 0.555 -20.822 113 HD21 LEU 3 HD21 LEU 3 9.882 -0.701 -20.358 114 HD22 LEU 3 HD22 LEU 3 8.939 -2.089 -19.809 115 HD23 LEU 3 HD23 LEU 3 10.143 -1.372 -18.745 116 H GLU 4 HN GLU 4 11.923 2.372 -17.435 117 HA GLU 4 HA GLU 4 11.090 4.864 -16.177 118 HB2 GLU 4 HB2 GLU 4 13.438 4.099 -15.847 119 HB3 GLU 4 HB1 GLU 4 13.709 4.173 -17.587 120 HG2 GLU 4 HG2 GLU 4 13.271 6.620 -17.534 121 HG3 GLU 4 HG1 GLU 4 13.044 6.528 -15.787 122 H LEU 5 HN LEU 5 9.700 6.031 -17.383 123 HA LEU 5 HA LEU 5 10.018 6.194 -20.307 124 HB2 LEU 5 HB2 LEU 5 7.742 7.278 -18.632 125 HB3 LEU 5 HB1 LEU 5 7.786 7.088 -20.380 126 HG LEU 5 HG LEU 5 7.645 4.869 -18.301 127 HD11 LEU 5 HD11 LEU 5 5.664 5.758 -20.407 128 HD12 LEU 5 HD12 LEU 5 5.546 6.034 -18.665 129 HD13 LEU 5 HD13 LEU 5 5.469 4.394 -19.301 130 HD21 LEU 5 HD21 LEU 5 7.517 3.268 -20.170 131 HD22 LEU 5 HD22 LEU 5 9.073 4.092 -20.131 132 HD23 LEU 5 HD23 LEU 5 7.856 4.565 -21.321 133 H ARG 6 HN ARG 6 11.157 7.823 -21.044 134 HA ARG 6 HA ARG 6 11.754 10.101 -19.283 135 HB2 ARG 6 HB2 ARG 6 13.444 9.238 -21.661 136 HB3 ARG 6 HB1 ARG 6 13.912 10.221 -20.274 137 HG2 ARG 6 HG2 ARG 6 13.536 8.072 -18.871 138 HG3 ARG 6 HG1 ARG 6 13.502 7.225 -20.418 139 HD2 ARG 6 HD2 ARG 6 15.738 7.041 -19.651 140 HD3 ARG 6 HD1 ARG 6 15.785 8.308 -20.887 141 HE ARG 6 HE ARG 6 15.364 9.307 -18.216 142 HH11 ARG 6 HH11 ARG 6 17.844 8.466 -20.549 143 HH12 ARG 6 HH12 ARG 6 19.091 9.317 -19.705 144 HH21 ARG 6 HH21 ARG 6 16.997 10.420 -17.131 145 HH22 ARG 6 HH22 ARG 6 18.613 10.409 -17.757 146 H PHE 7 HN PHE 7 10.872 11.964 -19.866 147 HA PHE 7 HA PHE 7 9.854 12.387 -22.620 148 HB2 PHE 7 HB2 PHE 7 8.984 13.658 -19.982 149 HB3 PHE 7 HB1 PHE 7 8.295 14.016 -21.567 150 HD1 PHE 7 HD2 PHE 7 8.583 11.455 -18.927 151 HD2 PHE 7 HD1 PHE 7 6.779 12.453 -22.671 152 HE1 PHE 7 HE2 PHE 7 7.055 9.559 -18.710 153 HE2 PHE 7 HE1 PHE 7 5.240 10.553 -22.422 154 HZ PHE 7 HZ PHE 7 5.385 9.099 -20.444 155 H PHE 8 HN PHE 8 10.526 14.117 -23.777 156 HA PHE 8 HA PHE 8 12.303 16.094 -22.481 157 HB2 PHE 8 HB2 PHE 8 12.933 14.720 -25.137 158 HB3 PHE 8 HB1 PHE 8 13.911 15.956 -24.344 159 HD1 PHE 8 HD1 PHE 8 14.774 15.394 -21.923 160 HD2 PHE 8 HD2 PHE 8 13.403 12.445 -24.695 161 HE1 PHE 8 HE1 PHE 8 15.912 13.639 -20.630 162 HE2 PHE 8 HE2 PHE 8 14.543 10.708 -23.414 163 HZ PHE 8 HZ PHE 8 15.795 11.287 -21.355 164 H ALA 9 HN ALA 9 12.605 18.019 -23.716 165 HA ALA 9 HA ALA 9 11.907 19.880 -24.690 166 HB1 ALA 9 HB1 ALA 9 10.735 18.007 -26.723 167 HB2 ALA 9 HB2 ALA 9 12.383 18.635 -26.707 168 HB3 ALA 9 HB3 ALA 9 11.023 19.729 -26.969 169 H THR 10 HN THR 10 8.979 19.165 -26.255 170 HA THR 10 HA THR 10 7.370 20.692 -24.482 171 HB THR 10 HB THR 10 6.496 18.874 -26.777 172 HG1 THR 10 HG1 THR 10 6.647 21.651 -27.061 173 HG21 THR 10 HG21 THR 10 4.481 20.308 -26.892 174 HG22 THR 10 HG22 THR 10 5.024 21.198 -25.470 175 HG23 THR 10 HG23 THR 10 4.587 19.494 -25.326 176 H PHE 11 HN PHE 11 7.553 17.195 -25.238 177 HA PHE 11 HA PHE 11 5.364 16.317 -23.687 178 HB2 PHE 11 HB2 PHE 11 7.863 14.846 -24.607 179 HB3 PHE 11 HB1 PHE 11 6.566 14.038 -23.747 180 HD1 PHE 11 HD1 PHE 11 4.917 16.380 -25.792 181 HD2 PHE 11 HD2 PHE 11 7.085 12.703 -26.054 182 HE1 PHE 11 HE1 PHE 11 3.777 15.834 -27.904 183 HE2 PHE 11 HE2 PHE 11 5.938 12.179 -28.164 184 HZ PHE 11 HZ PHE 11 4.277 13.733 -29.083 185 H ARG 12 HN ARG 12 8.580 17.235 -22.768 186 HA ARG 12 HA ARG 12 8.803 15.905 -20.280 187 HB2 ARG 12 HB2 ARG 12 10.678 16.924 -21.637 188 HB3 ARG 12 HB1 ARG 12 10.173 18.482 -21.062 189 HG2 ARG 12 HG2 ARG 12 10.598 16.619 -18.844 190 HG3 ARG 12 HG1 ARG 12 12.025 16.727 -19.860 191 HD2 ARG 12 HD2 ARG 12 12.289 18.297 -18.094 192 HD3 ARG 12 HD1 ARG 12 11.944 19.231 -19.549 193 HE ARG 12 HE ARG 12 9.789 18.577 -17.639 194 HH11 ARG 12 HH11 ARG 12 11.628 21.019 -19.347 195 HH12 ARG 12 HH12 ARG 12 10.764 22.337 -18.628 196 HH21 ARG 12 HH21 ARG 12 8.658 20.323 -16.721 197 HH22 ARG 12 HH22 ARG 12 9.086 21.939 -17.158 198 H GLU 13 HN GLU 13 7.824 19.249 -21.130 199 HA GLU 13 HA GLU 13 7.282 19.980 -18.394 200 HB2 GLU 13 HB2 GLU 13 6.507 22.155 -19.335 201 HB3 GLU 13 HB1 GLU 13 8.117 21.698 -19.858 202 HG2 GLU 13 HG2 GLU 13 7.186 22.583 -21.793 203 HG3 GLU 13 HG1 GLU 13 6.968 20.852 -22.022 204 H VAL 14 HN VAL 14 5.429 18.478 -20.859 205 HA VAL 14 HA VAL 14 2.810 18.906 -19.870 206 HB VAL 14 HB VAL 14 3.977 16.475 -21.302 207 HG11 VAL 14 HG11 VAL 14 1.976 15.776 -20.128 208 HG12 VAL 14 HG12 VAL 14 1.619 15.898 -21.850 209 HG13 VAL 14 HG13 VAL 14 1.077 17.163 -20.750 210 HG21 VAL 14 HG21 VAL 14 2.914 17.393 -23.332 211 HG22 VAL 14 HG22 VAL 14 4.093 18.523 -22.666 212 HG23 VAL 14 HG23 VAL 14 2.368 18.804 -22.417 213 H VAL 15 HN VAL 15 5.137 16.308 -19.279 214 HA VAL 15 HA VAL 15 3.612 15.059 -17.163 215 HB VAL 15 HB VAL 15 6.429 14.501 -18.211 216 HG11 VAL 15 HG11 VAL 15 6.149 13.547 -15.957 217 HG12 VAL 15 HG12 VAL 15 6.203 12.265 -17.169 218 HG13 VAL 15 HG13 VAL 15 4.658 12.750 -16.466 219 HG21 VAL 15 HG21 VAL 15 4.698 14.242 -19.960 220 HG22 VAL 15 HG22 VAL 15 3.779 13.162 -18.907 221 HG23 VAL 15 HG23 VAL 15 5.366 12.671 -19.505 222 H GLY 16 HN GLY 16 5.886 17.600 -17.384 223 HA2 GLY 16 HA2 GLY 16 6.589 19.108 -15.802 224 HA3 GLY 16 HA1 GLY 16 5.816 18.152 -14.549 225 H GLN 17 HN GLN 17 7.918 16.385 -16.571 226 HA GLN 17 HA GLN 17 10.395 16.758 -15.247 227 HB2 GLN 17 HB2 GLN 17 10.459 14.508 -14.065 228 HB3 GLN 17 HB1 GLN 17 9.432 15.721 -13.315 229 HG2 GLN 17 HG2 GLN 17 7.441 14.647 -14.305 230 HG3 GLN 17 HG1 GLN 17 8.476 13.429 -15.052 231 HE21 GLN 17 HE21 GLN 17 10.257 13.061 -12.820 232 HE22 GLN 17 HE22 GLN 17 9.363 12.246 -11.596 233 H LYS 18 HN LYS 18 12.014 15.076 -15.861 234 HA LYS 18 HA LYS 18 11.607 14.532 -18.715 235 HB2 LYS 18 HB2 LYS 18 14.040 14.570 -18.924 236 HB3 LYS 18 HB1 LYS 18 13.453 16.020 -18.116 237 HG2 LYS 18 HG2 LYS 18 14.073 14.910 -15.907 238 HG3 LYS 18 HG1 LYS 18 14.872 13.649 -16.859 239 HD2 LYS 18 HD2 LYS 18 16.334 15.366 -17.892 240 HD3 LYS 18 HD1 LYS 18 15.535 16.622 -16.943 241 HE2 LYS 18 HE2 LYS 18 16.318 15.485 -14.857 242 HE3 LYS 18 HE1 LYS 18 17.199 14.322 -15.855 243 HZ1 LYS 18 HZ1 LYS 18 18.617 16.114 -15.052 244 HZ2 LYS 18 HZ2 LYS 18 17.645 17.257 -15.824 245 HZ3 LYS 18 HZ3 LYS 18 18.513 16.139 -16.740 246 H SER 19 HN SER 19 11.761 12.716 -15.835 247 HA SER 19 HA SER 19 11.529 10.276 -17.437 248 HB2 SER 19 HB2 SER 19 13.476 10.211 -15.079 249 HB3 SER 19 HB1 SER 19 13.196 8.974 -16.296 250 HG SER 19 HG SER 19 13.985 10.888 -17.740 251 H ILE 20 HN ILE 20 10.177 8.789 -16.445 252 HA ILE 20 HA ILE 20 9.375 9.115 -13.620 253 HB ILE 20 HB ILE 20 7.017 8.678 -14.122 254 HG12 ILE 20 HG12 ILE 20 7.859 8.595 -17.056 255 HG13 ILE 20 HG11 ILE 20 7.202 7.256 -16.114 256 HG21 ILE 20 HG21 ILE 20 7.721 11.028 -14.133 257 HG22 ILE 20 HG22 ILE 20 6.374 10.768 -15.237 258 HG23 ILE 20 HG23 ILE 20 8.015 10.944 -15.870 259 HD11 ILE 20 HD11 ILE 20 5.733 9.751 -16.972 260 HD12 ILE 20 HD12 ILE 20 5.059 8.505 -15.916 261 HD13 ILE 20 HD13 ILE 20 5.505 8.109 -17.576 262 H TYR 21 HN TYR 21 8.071 7.050 -12.966 263 HA TYR 21 HA TYR 21 9.023 4.650 -14.416 264 HB2 TYR 21 HB2 TYR 21 8.818 5.015 -11.389 265 HB3 TYR 21 HB1 TYR 21 9.077 3.464 -12.182 266 HD1 TYR 21 HD2 TYR 21 11.154 3.355 -13.859 267 HD2 TYR 21 HD1 TYR 21 10.741 6.262 -10.737 268 HE1 TYR 21 HE2 TYR 21 13.569 3.742 -13.887 269 HE2 TYR 21 HE1 TYR 21 13.171 6.647 -10.792 270 HH TYR 21 HH TYR 21 15.220 5.401 -11.487 271 H TRP 22 HN TRP 22 7.364 3.738 -15.344 272 HA TRP 22 HA TRP 22 4.623 3.996 -14.260 273 HB2 TRP 22 HB2 TRP 22 5.795 4.089 -16.964 274 HB3 TRP 22 HB1 TRP 22 4.513 2.892 -16.897 275 HD1 TRP 22 HD1 TRP 22 4.508 6.367 -15.142 276 HE1 TRP 22 HE1 TRP 22 2.525 7.690 -16.092 277 HE3 TRP 22 HE3 TRP 22 2.861 2.986 -18.570 278 HZ2 TRP 22 HZ2 TRP 22 0.515 7.350 -18.059 279 HZ3 TRP 22 HZ3 TRP 22 0.898 3.534 -19.929 280 HH2 TRP 22 HH2 TRP 22 -0.252 5.675 -19.668 281 H ARG 23 HN ARG 23 3.529 2.230 -13.644 282 HA ARG 23 HA ARG 23 4.734 -0.438 -14.088 283 HB2 ARG 23 HB2 ARG 23 4.251 0.318 -11.726 284 HB3 ARG 23 HB1 ARG 23 2.538 0.347 -12.133 285 HG2 ARG 23 HG2 ARG 23 2.993 -1.729 -11.004 286 HG3 ARG 23 HG1 ARG 23 2.697 -2.097 -12.703 287 HD2 ARG 23 HD2 ARG 23 4.568 -3.410 -11.912 288 HD3 ARG 23 HD1 ARG 23 5.149 -2.223 -13.083 289 HE ARG 23 HE ARG 23 5.709 -0.864 -10.956 290 HH11 ARG 23 HH11 ARG 23 5.992 -4.349 -11.232 291 HH12 ARG 23 HH12 ARG 23 7.265 -4.456 -10.062 292 HH21 ARG 23 HH21 ARG 23 7.398 -1.009 -9.455 293 HH22 ARG 23 HH22 ARG 23 8.057 -2.561 -9.046 294 H VAL 24 HN VAL 24 4.034 -1.124 -15.976 295 HA VAL 24 HA VAL 24 1.114 -1.412 -16.446 296 HB VAL 24 HB VAL 24 1.749 -1.772 -18.886 297 HG11 VAL 24 HG11 VAL 24 1.997 0.621 -19.454 298 HG12 VAL 24 HG12 VAL 24 2.436 0.985 -17.783 299 HG13 VAL 24 HG13 VAL 24 0.815 0.395 -18.162 300 HG21 VAL 24 HG21 VAL 24 4.141 -2.329 -18.569 301 HG22 VAL 24 HG22 VAL 24 4.464 -0.675 -18.042 302 HG23 VAL 24 HG23 VAL 24 3.946 -0.988 -19.702 303 H ASP 25 HN ASP 25 0.801 -3.529 -17.874 304 HA ASP 25 HA ASP 25 1.846 -5.775 -16.401 305 HB2 ASP 25 HB2 ASP 25 0.475 -7.145 -17.952 306 HB3 ASP 25 HB1 ASP 25 -0.451 -5.806 -17.279 307 H ASP 26 HN ASP 26 2.809 -7.720 -17.609 308 HA ASP 26 HA ASP 26 5.300 -6.795 -18.732 309 HB2 ASP 26 HB2 ASP 26 5.171 -8.616 -17.024 310 HB3 ASP 26 HB1 ASP 26 4.397 -9.650 -18.223 311 H ASP 27 HN ASP 27 2.364 -7.875 -20.121 312 HA ASP 27 HA ASP 27 3.483 -8.746 -22.663 313 HB2 ASP 27 HB2 ASP 27 1.376 -9.745 -21.905 314 HB3 ASP 27 HB1 ASP 27 0.617 -8.164 -21.785 315 H ALA 28 HN ALA 28 2.470 -5.766 -21.186 316 HA ALA 28 HA ALA 28 1.864 -4.178 -23.446 317 HB1 ALA 28 HB1 ALA 28 2.925 -3.312 -20.741 318 HB2 ALA 28 HB2 ALA 28 1.228 -3.572 -21.149 319 HB3 ALA 28 HB3 ALA 28 2.131 -2.272 -21.929 320 H THR 29 HN THR 29 3.087 -2.837 -24.698 321 HA THR 29 HA THR 29 6.039 -2.853 -24.456 322 HB THR 29 HB THR 29 6.227 -3.031 -26.923 323 HG1 THR 29 HG1 THR 29 3.563 -3.855 -27.212 324 HG21 THR 29 HG21 THR 29 6.312 -5.140 -25.642 325 HG22 THR 29 HG22 THR 29 5.549 -5.389 -27.214 326 HG23 THR 29 HG23 THR 29 4.553 -5.294 -25.760 327 H VAL 30 HN VAL 30 6.724 -1.103 -26.464 328 HA VAL 30 HA VAL 30 6.404 1.405 -25.322 329 HB VAL 30 HB VAL 30 7.173 0.778 -28.204 330 HG11 VAL 30 HG11 VAL 30 8.246 3.026 -28.267 331 HG12 VAL 30 HG12 VAL 30 7.585 3.388 -26.670 332 HG13 VAL 30 HG13 VAL 30 6.500 3.154 -28.041 333 HG21 VAL 30 HG21 VAL 30 8.676 -0.261 -26.568 334 HG22 VAL 30 HG22 VAL 30 8.911 1.288 -25.758 335 HG23 VAL 30 HG23 VAL 30 9.505 1.053 -27.406 336 H GLY 31 HN GLY 31 4.431 -0.103 -27.830 337 HA2 GLY 31 HA2 GLY 31 2.836 2.140 -28.550 338 HA3 GLY 31 HA1 GLY 31 2.399 0.441 -28.743 339 H ASP 32 HN ASP 32 2.234 -0.527 -26.240 340 HA ASP 32 HA ASP 32 -0.275 0.373 -25.296 341 HB2 ASP 32 HB2 ASP 32 1.776 -1.350 -23.836 342 HB3 ASP 32 HB1 ASP 32 0.092 -1.141 -23.349 343 H VAL 33 HN VAL 33 2.968 1.190 -24.396 344 HA VAL 33 HA VAL 33 2.564 2.653 -22.022 345 HB VAL 33 HB VAL 33 4.660 2.751 -24.229 346 HG11 VAL 33 HG11 VAL 33 4.758 4.375 -21.672 347 HG12 VAL 33 HG12 VAL 33 4.648 5.013 -23.315 348 HG13 VAL 33 HG13 VAL 33 6.101 4.155 -22.797 349 HG21 VAL 33 HG21 VAL 33 4.799 1.740 -21.367 350 HG22 VAL 33 HG22 VAL 33 6.110 1.677 -22.549 351 HG23 VAL 33 HG23 VAL 33 4.640 0.739 -22.813 352 H LEU 34 HN LEU 34 2.792 3.886 -25.428 353 HA LEU 34 HA LEU 34 2.257 6.560 -24.507 354 HB2 LEU 34 HB2 LEU 34 2.368 7.160 -27.006 355 HB3 LEU 34 HB1 LEU 34 3.811 6.582 -26.201 356 HG LEU 34 HG LEU 34 3.256 4.272 -27.253 357 HD11 LEU 34 HD11 LEU 34 0.968 4.721 -27.977 358 HD12 LEU 34 HD12 LEU 34 2.001 4.280 -29.334 359 HD13 LEU 34 HD13 LEU 34 1.554 5.970 -29.083 360 HD21 LEU 34 HD21 LEU 34 5.166 5.639 -27.945 361 HD22 LEU 34 HD22 LEU 34 4.134 6.568 -29.034 362 HD23 LEU 34 HD23 LEU 34 4.428 4.854 -29.343 363 H ARG 35 HN ARG 35 0.197 4.075 -26.012 364 HA ARG 35 HA ARG 35 -1.954 5.868 -26.587 365 HB2 ARG 35 HB2 ARG 35 -3.427 3.849 -26.736 366 HB3 ARG 35 HB1 ARG 35 -1.983 3.764 -27.719 367 HG2 ARG 35 HG2 ARG 35 -2.125 1.607 -26.923 368 HG3 ARG 35 HG1 ARG 35 -1.008 2.329 -25.771 369 HD2 ARG 35 HD2 ARG 35 -2.760 2.514 -24.102 370 HD3 ARG 35 HD1 ARG 35 -3.984 1.997 -25.269 371 HE ARG 35 HE ARG 35 -2.198 -0.063 -25.251 372 HH11 ARG 35 HH11 ARG 35 -4.001 1.522 -22.681 373 HH12 ARG 35 HH12 ARG 35 -4.138 0.080 -21.732 374 HH21 ARG 35 HH21 ARG 35 -2.377 -1.931 -23.997 375 HH22 ARG 35 HH22 ARG 35 -3.200 -1.877 -22.470 376 H SER 36 HN SER 36 -1.008 4.128 -23.685 377 HA SER 36 HA SER 36 -3.235 4.984 -22.079 378 HB2 SER 36 HB2 SER 36 -0.531 3.854 -21.286 379 HB3 SER 36 HB1 SER 36 -1.900 4.077 -20.192 380 HG SER 36 HG SER 36 -1.399 2.024 -21.786 381 H LEU 37 HN LEU 37 -0.026 6.315 -22.830 382 HA LEU 37 HA LEU 37 0.254 8.099 -20.668 383 HB2 LEU 37 HB2 LEU 37 1.647 7.692 -23.217 384 HB3 LEU 37 HB1 LEU 37 1.555 9.394 -22.848 385 HG LEU 37 HG LEU 37 3.632 8.702 -21.997 386 HD11 LEU 37 HD11 LEU 37 3.519 9.023 -19.583 387 HD12 LEU 37 HD12 LEU 37 1.784 8.695 -19.590 388 HD13 LEU 37 HD13 LEU 37 2.420 10.125 -20.407 389 HD21 LEU 37 HD21 LEU 37 3.375 6.327 -22.110 390 HD22 LEU 37 HD22 LEU 37 2.299 6.327 -20.715 391 HD23 LEU 37 HD23 LEU 37 3.994 6.781 -20.526 392 H GLU 38 HN GLU 38 -1.317 8.585 -23.817 393 HA GLU 38 HA GLU 38 -2.028 11.317 -23.400 394 HB2 GLU 38 HB2 GLU 38 -3.771 10.879 -25.211 395 HB3 GLU 38 HB1 GLU 38 -2.095 10.583 -25.646 396 HG2 GLU 38 HG2 GLU 38 -2.367 8.236 -25.626 397 HG3 GLU 38 HG1 GLU 38 -3.896 8.332 -24.742 398 H ALA 39 HN ALA 39 -3.631 8.278 -22.610 399 HA ALA 39 HA ALA 39 -6.183 9.231 -21.884 400 HB1 ALA 39 HB1 ALA 39 -4.667 6.822 -20.826 401 HB2 ALA 39 HB2 ALA 39 -5.659 6.859 -22.286 402 HB3 ALA 39 HB3 ALA 39 -6.414 7.076 -20.705 403 H GLU 40 HN GLU 40 -3.153 9.120 -20.137 404 HA GLU 40 HA GLU 40 -4.210 10.055 -17.595 405 HB2 GLU 40 HB2 GLU 40 -1.357 9.937 -18.669 406 HB3 GLU 40 HB1 GLU 40 -1.808 10.270 -16.996 407 HG2 GLU 40 HG2 GLU 40 -2.344 7.687 -18.477 408 HG3 GLU 40 HG1 GLU 40 -0.999 8.001 -17.388 409 H TYR 41 HN TYR 41 -2.121 11.360 -20.154 410 HA TYR 41 HA TYR 41 -2.263 14.025 -18.981 411 HB2 TYR 41 HB2 TYR 41 -0.240 12.765 -20.864 412 HB3 TYR 41 HB1 TYR 41 -0.219 14.472 -20.430 413 HD1 TYR 41 HD1 TYR 41 0.268 15.174 -18.091 414 HD2 TYR 41 HD2 TYR 41 0.536 11.068 -19.261 415 HE1 TYR 41 HE1 TYR 41 1.573 14.693 -16.072 416 HE2 TYR 41 HE2 TYR 41 1.859 10.588 -17.231 417 HH TYR 41 HH TYR 41 2.197 12.912 -14.664 418 H ASP 42 HN ASP 42 -3.805 15.242 -19.867 419 HA ASP 42 HA ASP 42 -4.896 15.123 -22.458 420 HB2 ASP 42 HB2 ASP 42 -4.670 17.537 -20.606 421 HB3 ASP 42 HB1 ASP 42 -5.740 17.427 -22.000 422 H GLY 43 HN GLY 43 -2.047 16.733 -21.186 423 HA2 GLY 43 HA2 GLY 43 -1.390 18.329 -23.467 424 HA3 GLY 43 HA1 GLY 43 -0.332 17.923 -22.127 425 H LEU 44 HN LEU 44 -1.216 14.945 -23.039 426 HA LEU 44 HA LEU 44 0.801 14.697 -25.199 427 HB2 LEU 44 HB2 LEU 44 -0.064 12.703 -23.090 428 HB3 LEU 44 HB1 LEU 44 0.930 12.268 -24.457 429 HG LEU 44 HG LEU 44 1.691 14.141 -22.202 430 HD11 LEU 44 HD11 LEU 44 1.763 11.809 -21.539 431 HD12 LEU 44 HD12 LEU 44 3.392 12.466 -21.649 432 HD13 LEU 44 HD13 LEU 44 2.778 11.413 -22.929 433 HD21 LEU 44 HD21 LEU 44 3.921 14.284 -23.254 434 HD22 LEU 44 HD22 LEU 44 2.662 14.983 -24.267 435 HD23 LEU 44 HD23 LEU 44 3.312 13.387 -24.651 436 H ALA 45 HN ALA 45 -2.430 14.929 -24.927 437 HA ALA 45 HA ALA 45 -3.454 12.489 -25.961 438 HB1 ALA 45 HB1 ALA 45 -4.812 14.092 -24.687 439 HB2 ALA 45 HB2 ALA 45 -5.551 13.745 -26.252 440 HB3 ALA 45 HB3 ALA 45 -4.680 15.263 -26.004 441 H GLY 46 HN GLY 46 -3.219 11.667 -27.961 442 HA2 GLY 46 HA2 GLY 46 -3.603 11.479 -30.231 443 HA3 GLY 46 HA1 GLY 46 -3.936 13.198 -30.321 444 H ARG 47 HN ARG 47 -1.255 13.722 -29.025 445 HA ARG 47 HA ARG 47 0.192 14.109 -31.522 446 HB2 ARG 47 HB2 ARG 47 1.713 15.517 -30.011 447 HB3 ARG 47 HB1 ARG 47 0.033 16.042 -30.110 448 HG2 ARG 47 HG2 ARG 47 -0.435 14.913 -27.955 449 HG3 ARG 47 HG1 ARG 47 1.254 14.425 -27.852 450 HD2 ARG 47 HD2 ARG 47 0.600 16.422 -26.463 451 HD3 ARG 47 HD1 ARG 47 1.965 16.667 -27.514 452 HE ARG 47 HE ARG 47 -0.189 17.584 -28.943 453 HH11 ARG 47 HH11 ARG 47 1.192 18.416 -25.808 454 HH12 ARG 47 HH12 ARG 47 0.605 20.045 -25.857 455 HH21 ARG 47 HH21 ARG 47 -0.915 19.731 -28.992 456 HH22 ARG 47 HH22 ARG 47 -0.572 20.794 -27.666 457 H LEU 48 HN LEU 48 0.100 11.471 -29.727 458 HA LEU 48 HA LEU 48 2.953 10.785 -30.053 459 HB2 LEU 48 HB2 LEU 48 3.082 9.728 -27.932 460 HB3 LEU 48 HB1 LEU 48 2.394 11.310 -27.643 461 HG LEU 48 HG LEU 48 1.117 8.582 -27.358 462 HD11 LEU 48 HD11 LEU 48 1.314 10.949 -25.501 463 HD12 LEU 48 HD12 LEU 48 2.238 9.452 -25.420 464 HD13 LEU 48 HD13 LEU 48 0.501 9.425 -25.132 465 HD21 LEU 48 HD21 LEU 48 -1.083 9.587 -26.975 466 HD22 LEU 48 HD22 LEU 48 -0.548 9.744 -28.642 467 HD23 LEU 48 HD23 LEU 48 -0.479 11.137 -27.566 468 H ILE 49 HN ILE 49 0.048 10.224 -31.249 469 HA ILE 49 HA ILE 49 0.698 7.474 -32.074 470 HB ILE 49 HB ILE 49 -2.024 8.330 -31.026 471 HG12 ILE 49 HG12 ILE 49 -0.228 5.995 -30.291 472 HG13 ILE 49 HG11 ILE 49 -0.456 7.452 -29.334 473 HG21 ILE 49 HG21 ILE 49 -2.954 6.155 -31.809 474 HG22 ILE 49 HG22 ILE 49 -1.433 5.806 -32.631 475 HG23 ILE 49 HG23 ILE 49 -2.431 7.159 -33.162 476 HD11 ILE 49 HD11 ILE 49 -2.608 5.451 -29.985 477 HD12 ILE 49 HD12 ILE 49 -2.748 6.851 -28.910 478 HD13 ILE 49 HD13 ILE 49 -1.669 5.516 -28.501 479 H GLU 50 HN GLU 50 0.444 7.231 -34.293 480 HA GLU 50 HA GLU 50 -1.734 8.714 -35.612 481 HB2 GLU 50 HB2 GLU 50 1.145 8.780 -36.453 482 HB3 GLU 50 HB1 GLU 50 -0.021 8.575 -37.744 483 HG2 GLU 50 HG2 GLU 50 0.158 10.860 -35.801 484 HG3 GLU 50 HG1 GLU 50 0.480 10.898 -37.529 485 H ASP 51 HN ASP 51 -3.103 7.121 -36.010 486 HA ASP 51 HA ASP 51 -4.099 5.388 -37.006 487 HB2 ASP 51 HB2 ASP 51 -3.114 6.637 -38.989 488 HB3 ASP 51 HB1 ASP 51 -1.782 5.489 -38.981 489 H GLY 52 HN GLY 52 -2.427 4.719 -34.849 490 HA2 GLY 52 HA2 GLY 52 -1.880 2.819 -33.707 491 HA3 GLY 52 HA1 GLY 52 -2.258 1.873 -35.139 492 H GLU 53 HN GLU 53 0.083 4.419 -35.470 493 HA GLU 53 HA GLU 53 2.306 2.711 -34.518 494 HB2 GLU 53 HB2 GLU 53 3.835 3.611 -36.166 495 HB3 GLU 53 HB1 GLU 53 2.479 2.868 -37.000 496 HG2 GLU 53 HG2 GLU 53 1.834 4.808 -37.972 497 HG3 GLU 53 HG1 GLU 53 2.125 5.779 -36.535 498 H VAL 54 HN VAL 54 4.320 4.529 -34.395 499 HA VAL 54 HA VAL 54 3.564 5.793 -31.978 500 HB VAL 54 HB VAL 54 5.934 6.705 -31.952 501 HG11 VAL 54 HG11 VAL 54 5.620 3.723 -32.435 502 HG12 VAL 54 HG12 VAL 54 5.376 4.556 -30.898 503 HG13 VAL 54 HG13 VAL 54 6.984 4.489 -31.619 504 HG21 VAL 54 HG21 VAL 54 6.359 6.911 -34.378 505 HG22 VAL 54 HG22 VAL 54 6.230 5.160 -34.559 506 HG23 VAL 54 HG23 VAL 54 7.560 5.852 -33.628 507 H LYS 55 HN LYS 55 4.706 7.337 -35.076 508 HA LYS 55 HA LYS 55 2.978 9.164 -35.736 509 HB2 LYS 55 HB2 LYS 55 2.581 10.199 -33.646 510 HB3 LYS 55 HB1 LYS 55 4.284 10.316 -33.253 511 HG2 LYS 55 HG2 LYS 55 3.917 12.526 -33.740 512 HG3 LYS 55 HG1 LYS 55 4.230 11.987 -35.382 513 HD2 LYS 55 HD2 LYS 55 2.261 13.428 -35.312 514 HD3 LYS 55 HD1 LYS 55 1.803 11.794 -35.785 515 HE2 LYS 55 HE2 LYS 55 1.079 11.362 -33.424 516 HE3 LYS 55 HE1 LYS 55 1.465 13.035 -33.029 517 HZ1 LYS 55 HZ1 LYS 55 -0.579 12.137 -34.985 518 HZ2 LYS 55 HZ2 LYS 55 -0.214 13.744 -34.610 519 HZ3 LYS 55 HZ3 LYS 55 -0.876 12.733 -33.433 520 HA PRO 56 HA PRO 56 6.598 10.325 -38.335 521 HB2 PRO 56 HB2 PRO 56 5.214 12.392 -39.634 522 HB3 PRO 56 HB1 PRO 56 5.198 10.696 -40.143 523 HG2 PRO 56 HG2 PRO 56 3.213 12.178 -38.410 524 HG3 PRO 56 HG1 PRO 56 2.893 11.084 -39.765 525 HD2 PRO 56 HD2 PRO 56 2.630 10.196 -37.298 526 HD3 PRO 56 HD1 PRO 56 3.439 9.165 -38.505 527 H HIS 57 HN HIS 57 8.190 11.665 -37.751 528 HA HIS 57 HA HIS 57 9.402 13.474 -37.222 529 HB2 HIS 57 HB2 HIS 57 6.848 15.057 -36.747 530 HB3 HIS 57 HB1 HIS 57 8.473 15.728 -36.842 531 HD1 HIS 57 HD1 HIS 57 9.629 15.662 -39.250 532 HD2 HIS 57 HD2 HIS 57 5.595 14.668 -39.197 533 HE1 HIS 57 HE1 HIS 57 8.892 15.718 -41.651 534 HE2 HIS 57 HE2 HIS 57 6.430 15.182 -41.590 535 H VAL 58 HN VAL 58 6.888 12.494 -34.940 536 HA VAL 58 HA VAL 58 8.263 13.276 -32.563 537 HB VAL 58 HB VAL 58 6.135 11.196 -33.145 538 HG11 VAL 58 HG11 VAL 58 7.554 11.372 -30.461 539 HG12 VAL 58 HG12 VAL 58 7.595 9.995 -31.565 540 HG13 VAL 58 HG13 VAL 58 6.082 10.448 -30.782 541 HG21 VAL 58 HG21 VAL 58 6.226 13.500 -31.193 542 HG22 VAL 58 HG22 VAL 58 4.835 12.452 -31.491 543 HG23 VAL 58 HG23 VAL 58 5.440 13.501 -32.775 544 H ASN 59 HN ASN 59 10.205 12.606 -31.923 545 HA ASN 59 HA ASN 59 11.370 10.120 -32.982 546 HB2 ASN 59 HB2 ASN 59 12.652 12.355 -31.342 547 HB3 ASN 59 HB1 ASN 59 13.503 11.001 -32.081 548 HD21 ASN 59 HD21 ASN 59 13.723 10.965 -34.383 549 HD22 ASN 59 HD22 ASN 59 13.546 12.400 -35.324 550 H VAL 60 HN VAL 60 10.630 8.432 -31.811 551 HA VAL 60 HA VAL 60 10.841 8.521 -28.852 552 HB VAL 60 HB VAL 60 9.467 6.307 -29.027 553 HG11 VAL 60 HG11 VAL 60 8.111 8.968 -29.637 554 HG12 VAL 60 HG12 VAL 60 8.557 8.375 -28.039 555 HG13 VAL 60 HG13 VAL 60 7.314 7.539 -28.971 556 HG21 VAL 60 HG21 VAL 60 9.640 6.015 -31.470 557 HG22 VAL 60 HG22 VAL 60 8.738 7.511 -31.723 558 HG23 VAL 60 HG23 VAL 60 7.957 6.127 -30.956 559 H LEU 61 HN LEU 61 11.761 6.697 -27.825 560 HA LEU 61 HA LEU 61 13.943 5.433 -29.315 561 HB2 LEU 61 HB2 LEU 61 14.195 7.372 -27.014 562 HB3 LEU 61 HB1 LEU 61 15.455 6.197 -27.321 563 HG LEU 61 HG LEU 61 15.605 7.282 -29.655 564 HD11 LEU 61 HD11 LEU 61 13.632 8.543 -29.806 565 HD12 LEU 61 HD12 LEU 61 14.984 9.663 -29.796 566 HD13 LEU 61 HD13 LEU 61 14.015 9.435 -28.337 567 HD21 LEU 61 HD21 LEU 61 16.471 8.933 -27.274 568 HD22 LEU 61 HD22 LEU 61 17.152 9.027 -28.901 569 HD23 LEU 61 HD23 LEU 61 17.352 7.559 -27.948 570 H LYS 62 HN LYS 62 15.267 4.066 -27.734 571 HA LYS 62 HA LYS 62 13.860 2.650 -25.629 572 HB2 LYS 62 HB2 LYS 62 12.639 1.648 -27.440 573 HB3 LYS 62 HB1 LYS 62 14.052 1.601 -28.476 574 HG2 LYS 62 HG2 LYS 62 13.610 -0.630 -27.915 575 HG3 LYS 62 HG1 LYS 62 15.004 -0.172 -26.936 576 HD2 LYS 62 HD2 LYS 62 13.404 0.226 -25.009 577 HD3 LYS 62 HD1 LYS 62 12.118 -0.436 -26.032 578 HE2 LYS 62 HE2 LYS 62 12.949 -2.204 -24.604 579 HE3 LYS 62 HE1 LYS 62 13.450 -2.553 -26.262 580 HZ1 LYS 62 HZ1 LYS 62 15.239 -2.906 -24.674 581 HZ2 LYS 62 HZ2 LYS 62 15.135 -1.307 -24.155 582 HZ3 LYS 62 HZ3 LYS 62 15.636 -1.651 -25.737 583 H ASN 63 HN ASN 63 15.635 2.498 -24.316 584 HA ASN 63 HA ASN 63 17.782 2.397 -23.554 585 HB2 ASN 63 HB2 ASN 63 17.326 -0.020 -24.295 586 HB3 ASN 63 HB1 ASN 63 18.202 0.331 -25.774 587 HD21 ASN 63 HD21 ASN 63 20.479 0.532 -25.687 588 HD22 ASN 63 HD22 ASN 63 21.392 0.008 -24.319 589 H GLY 64 HN GLY 64 17.200 4.447 -25.382 590 HA2 GLY 64 HA2 GLY 64 18.337 6.198 -26.368 591 HA3 GLY 64 HA1 GLY 64 19.801 5.229 -26.399 592 H ARG 65 HN ARG 65 17.824 3.153 -27.823 593 HA ARG 65 HA ARG 65 18.629 3.903 -30.528 594 HB2 ARG 65 HB2 ARG 65 18.940 1.575 -29.588 595 HB3 ARG 65 HB1 ARG 65 17.189 1.377 -29.587 596 HG2 ARG 65 HG2 ARG 65 17.149 1.618 -32.041 597 HG3 ARG 65 HG1 ARG 65 18.894 1.892 -32.055 598 HD2 ARG 65 HD2 ARG 65 19.146 -0.420 -30.999 599 HD3 ARG 65 HD1 ARG 65 17.426 -0.664 -31.327 600 HE ARG 65 HE ARG 65 17.969 -0.310 -33.725 601 HH11 ARG 65 HH11 ARG 65 20.584 -1.317 -31.590 602 HH12 ARG 65 HH12 ARG 65 21.499 -2.047 -32.872 603 HH21 ARG 65 HH21 ARG 65 19.211 -1.244 -35.383 604 HH22 ARG 65 HH22 ARG 65 20.726 -1.996 -35.010 605 H GLU 66 HN GLU 66 17.283 4.886 -31.936 606 HA GLU 66 HA GLU 66 14.723 5.763 -30.951 607 HB2 GLU 66 HB2 GLU 66 16.534 7.167 -32.145 608 HB3 GLU 66 HB1 GLU 66 15.936 6.469 -33.642 609 HG2 GLU 66 HG2 GLU 66 13.704 7.457 -33.179 610 HG3 GLU 66 HG1 GLU 66 14.326 8.130 -31.686 611 H VAL 67 HN VAL 67 13.010 4.478 -31.169 612 HA VAL 67 HA VAL 67 12.909 2.270 -32.960 613 HB VAL 67 HB VAL 67 10.667 1.776 -31.945 614 HG11 VAL 67 HG11 VAL 67 12.967 2.212 -30.024 615 HG12 VAL 67 HG12 VAL 67 12.650 0.769 -30.995 616 HG13 VAL 67 HG13 VAL 67 11.539 1.221 -29.693 617 HG21 VAL 67 HG21 VAL 67 9.936 4.069 -31.416 618 HG22 VAL 67 HG22 VAL 67 11.231 4.225 -30.225 619 HG23 VAL 67 HG23 VAL 67 9.929 3.059 -29.969 620 H VAL 68 HN VAL 68 12.051 5.430 -33.656 621 HA VAL 68 HA VAL 68 9.833 4.948 -35.400 622 HB VAL 68 HB VAL 68 10.307 7.103 -36.422 623 HG11 VAL 68 HG11 VAL 68 10.285 8.563 -34.435 624 HG12 VAL 68 HG12 VAL 68 10.838 7.222 -33.430 625 HG13 VAL 68 HG13 VAL 68 9.251 7.152 -34.204 626 HG21 VAL 68 HG21 VAL 68 12.327 8.438 -35.871 627 HG22 VAL 68 HG22 VAL 68 12.745 6.946 -36.713 628 HG23 VAL 68 HG23 VAL 68 12.985 7.070 -34.969 629 H HIS 69 HN HIS 69 13.190 4.180 -35.609 630 HA HIS 69 HA HIS 69 13.247 3.853 -38.530 631 HB2 HIS 69 HB2 HIS 69 15.438 3.366 -36.448 632 HB3 HIS 69 HB1 HIS 69 15.656 3.346 -38.201 633 HD1 HIS 69 HD1 HIS 69 14.912 5.801 -39.355 634 HD2 HIS 69 HD2 HIS 69 16.056 5.780 -35.356 635 HE1 HIS 69 HE1 HIS 69 15.476 8.187 -38.808 636 HE2 HIS 69 HE2 HIS 69 15.946 8.175 -36.336 637 H LEU 70 HN LEU 70 13.039 1.957 -35.574 638 HA LEU 70 HA LEU 70 12.781 -0.556 -37.134 639 HB2 LEU 70 HB2 LEU 70 13.457 -1.793 -35.073 640 HB3 LEU 70 HB1 LEU 70 14.734 -0.817 -35.748 641 HG LEU 70 HG LEU 70 13.114 0.227 -33.401 642 HD11 LEU 70 HD11 LEU 70 13.933 -1.988 -32.720 643 HD12 LEU 70 HD12 LEU 70 14.765 -0.703 -31.847 644 HD13 LEU 70 HD13 LEU 70 15.577 -1.536 -33.178 645 HD21 LEU 70 HD21 LEU 70 15.160 1.510 -32.932 646 HD22 LEU 70 HD22 LEU 70 14.573 1.832 -34.561 647 HD23 LEU 70 HD23 LEU 70 15.962 0.766 -34.320 648 H ASP 71 HN ASP 71 11.701 -1.936 -34.683 649 HA ASP 71 HA ASP 71 8.945 -1.454 -35.094 650 HB2 ASP 71 HB2 ASP 71 10.327 -2.941 -32.825 651 HB3 ASP 71 HB1 ASP 71 8.609 -3.039 -33.213 652 H GLY 72 HN GLY 72 8.015 0.428 -34.493 653 HA2 GLY 72 HA2 GLY 72 8.816 1.922 -32.137 654 HA3 GLY 72 HA1 GLY 72 7.565 2.366 -33.278 655 H MET 73 HN MET 73 6.132 -0.100 -33.137 656 HA MET 73 HA MET 73 4.445 0.573 -30.882 657 HB2 MET 73 HB2 MET 73 4.159 -1.422 -33.160 658 HB3 MET 73 HB1 MET 73 2.936 -1.196 -31.917 659 HG2 MET 73 HG2 MET 73 3.865 1.137 -33.596 660 HG3 MET 73 HG1 MET 73 2.640 0.025 -34.189 661 HE1 MET 73 HE1 MET 73 2.024 3.140 -30.818 662 HE2 MET 73 HE2 MET 73 3.306 3.185 -32.028 663 HE3 MET 73 HE3 MET 73 3.373 2.010 -30.714 664 H ALA 74 HN ALA 74 6.519 -2.196 -31.795 665 HA ALA 74 HA ALA 74 6.553 -3.124 -29.015 666 HB1 ALA 74 HB1 ALA 74 4.583 -4.301 -29.948 667 HB2 ALA 74 HB2 ALA 74 5.880 -5.428 -29.551 668 HB3 ALA 74 HB3 ALA 74 5.591 -4.974 -31.234 669 H THR 75 HN THR 75 8.716 -2.401 -29.230 670 HA THR 75 HA THR 75 10.534 -3.733 -31.042 671 HB THR 75 HB THR 75 11.211 -1.524 -30.726 672 HG1 THR 75 HG1 THR 75 13.034 -2.773 -30.506 673 HG21 THR 75 HG21 THR 75 10.921 -1.825 -27.714 674 HG22 THR 75 HG22 THR 75 9.808 -0.958 -28.776 675 HG23 THR 75 HG23 THR 75 11.459 -0.374 -28.565 676 H ALA 76 HN ALA 76 10.644 -3.569 -27.386 677 HA ALA 76 HA ALA 76 11.475 -6.265 -27.101 678 HB1 ALA 76 HB1 ALA 76 13.406 -5.453 -28.428 679 HB2 ALA 76 HB2 ALA 76 13.902 -5.974 -26.817 680 HB3 ALA 76 HB3 ALA 76 13.756 -4.251 -27.184 681 H LEU 77 HN LEU 77 9.756 -4.508 -25.553 682 HA LEU 77 HA LEU 77 11.246 -3.402 -23.356 683 HB2 LEU 77 HB2 LEU 77 8.278 -3.615 -23.870 684 HB3 LEU 77 HB1 LEU 77 8.880 -3.092 -22.303 685 HG LEU 77 HG LEU 77 9.193 -1.673 -24.967 686 HD11 LEU 77 HD11 LEU 77 8.076 0.173 -23.808 687 HD12 LEU 77 HD12 LEU 77 8.001 -0.783 -22.327 688 HD13 LEU 77 HD13 LEU 77 7.093 -1.287 -23.747 689 HD21 LEU 77 HD21 LEU 77 10.571 -0.910 -22.376 690 HD22 LEU 77 HD22 LEU 77 10.595 -0.016 -23.901 691 HD23 LEU 77 HD23 LEU 77 11.365 -1.590 -23.798 692 H ASP 78 HN ASP 78 11.312 -3.960 -21.283 693 HA ASP 78 HA ASP 78 10.322 -6.482 -20.229 694 HB2 ASP 78 HB2 ASP 78 12.377 -7.200 -21.389 695 HB3 ASP 78 HB1 ASP 78 13.288 -5.865 -20.699 696 H ASP 79 HN ASP 79 11.087 -6.593 -17.818 697 HA ASP 79 HA ASP 79 10.386 -4.172 -16.511 698 HB2 ASP 79 HB2 ASP 79 9.994 -6.401 -15.497 699 HB3 ASP 79 HB1 ASP 79 11.728 -6.675 -15.364 700 H GLY 80 HN GLY 80 11.558 -2.598 -15.596 701 HA2 GLY 80 HA2 GLY 80 13.309 -1.248 -15.005 702 HA3 GLY 80 HA1 GLY 80 14.384 -2.629 -15.132 703 H ASP 81 HN ASP 81 12.496 -1.943 -17.961 704 HA ASP 81 HA ASP 81 14.879 -1.133 -19.438 705 HB2 ASP 81 HB2 ASP 81 12.892 -2.737 -20.239 706 HB3 ASP 81 HB1 ASP 81 12.110 -1.233 -20.685 707 H ALA 82 HN ALA 82 14.837 0.806 -20.858 708 HA ALA 82 HA ALA 82 13.336 3.071 -19.642 709 HB1 ALA 82 HB1 ALA 82 16.211 3.104 -20.639 710 HB2 ALA 82 HB2 ALA 82 15.694 3.101 -18.951 711 HB3 ALA 82 HB3 ALA 82 15.318 4.481 -19.982 712 H VAL 83 HN VAL 83 11.785 3.440 -21.143 713 HA VAL 83 HA VAL 83 12.375 3.807 -23.989 714 HB VAL 83 HB VAL 83 9.812 4.479 -22.451 715 HG11 VAL 83 HG11 VAL 83 9.940 5.655 -24.616 716 HG12 VAL 83 HG12 VAL 83 8.669 4.431 -24.640 717 HG13 VAL 83 HG13 VAL 83 10.208 4.117 -25.446 718 HG21 VAL 83 HG21 VAL 83 10.411 1.935 -23.988 719 HG22 VAL 83 HG22 VAL 83 8.862 2.360 -23.254 720 HG23 VAL 83 HG23 VAL 83 10.273 2.078 -22.231 721 H SER 84 HN SER 84 12.766 5.829 -24.888 722 HA SER 84 HA SER 84 12.413 8.264 -23.203 723 HB2 SER 84 HB2 SER 84 14.536 7.713 -25.331 724 HB3 SER 84 HB1 SER 84 14.284 9.273 -24.562 725 HG SER 84 HG SER 84 14.695 6.991 -22.980 726 H VAL 85 HN VAL 85 11.624 10.183 -24.406 727 HA VAL 85 HA VAL 85 10.511 9.703 -27.078 728 HB VAL 85 HB VAL 85 8.252 10.387 -26.587 729 HG11 VAL 85 HG11 VAL 85 7.376 8.611 -25.106 730 HG12 VAL 85 HG12 VAL 85 9.007 8.312 -24.497 731 HG13 VAL 85 HG13 VAL 85 8.627 7.989 -26.190 732 HG21 VAL 85 HG21 VAL 85 7.435 10.945 -24.306 733 HG22 VAL 85 HG22 VAL 85 8.632 12.096 -24.904 734 HG23 VAL 85 HG23 VAL 85 9.099 10.872 -23.717 735 H PHE 86 HN PHE 86 10.135 11.549 -28.254 736 HA PHE 86 HA PHE 86 10.678 14.227 -27.106 737 HB2 PHE 86 HB2 PHE 86 11.812 13.169 -29.765 738 HB3 PHE 86 HB1 PHE 86 11.932 14.831 -29.203 739 HD1 PHE 86 HD2 PHE 86 13.037 11.343 -28.478 740 HD2 PHE 86 HD1 PHE 86 13.749 15.497 -27.756 741 HE1 PHE 86 HE2 PHE 86 15.168 10.801 -27.395 742 HE2 PHE 86 HE1 PHE 86 15.894 14.926 -26.683 743 HZ PHE 86 HZ PHE 86 16.598 12.562 -26.513 744 HA PRO 87 HA PRO 87 6.799 15.072 -29.455 745 HB2 PRO 87 HB2 PRO 87 7.043 17.819 -29.615 746 HB3 PRO 87 HB1 PRO 87 6.557 16.977 -28.136 747 HG2 PRO 87 HG2 PRO 87 9.301 17.922 -28.956 748 HG3 PRO 87 HG1 PRO 87 8.451 18.173 -27.414 749 HD2 PRO 87 HD2 PRO 87 10.283 16.263 -27.616 750 HD3 PRO 87 HD1 PRO 87 8.779 15.949 -26.718 751 HA PRO 88 HA PRO 88 7.886 15.350 -33.748 752 HB2 PRO 88 HB2 PRO 88 6.042 17.032 -34.920 753 HB3 PRO 88 HB1 PRO 88 5.667 15.384 -34.389 754 HG2 PRO 88 HG2 PRO 88 5.181 17.991 -32.949 755 HG3 PRO 88 HG1 PRO 88 4.073 16.619 -33.172 756 HD2 PRO 88 HD2 PRO 88 5.435 16.955 -30.867 757 HD3 PRO 88 HD1 PRO 88 5.130 15.340 -31.515 758 H VAL 89 HN VAL 89 9.514 16.316 -34.754 759 HA VAL 89 HA VAL 89 10.441 18.937 -33.832 760 HB VAL 89 HB VAL 89 12.581 18.342 -34.989 761 HG11 VAL 89 HG11 VAL 89 11.566 16.223 -33.053 762 HG12 VAL 89 HG12 VAL 89 12.289 17.774 -32.617 763 HG13 VAL 89 HG13 VAL 89 13.262 16.548 -33.430 764 HG21 VAL 89 HG21 VAL 89 11.703 16.920 -36.804 765 HG22 VAL 89 HG22 VAL 89 11.211 15.695 -35.634 766 HG23 VAL 89 HG23 VAL 89 12.925 16.048 -35.874 767 H ALA 90 HN ALA 90 8.473 17.947 -36.224 768 HA ALA 90 HA ALA 90 8.633 20.462 -37.627 769 HB1 ALA 90 HB1 ALA 90 8.810 19.476 -39.887 770 HB2 ALA 90 HB2 ALA 90 9.047 17.872 -39.183 771 HB3 ALA 90 HB3 ALA 90 10.251 19.137 -38.931 772 H GLY 91 HN GLY 91 6.551 21.047 -37.368 773 HA2 GLY 91 HA2 GLY 91 4.317 19.239 -37.310 774 HA3 GLY 91 HA1 GLY 91 4.240 20.996 -37.389 775 H GLY 92 HN GLY 92 5.353 21.733 -39.650 776 HA2 GLY 92 HA2 GLY 92 5.425 21.495 -42.005 777 HA3 GLY 92 HA1 GLY 92 4.279 20.166 -41.911 Start of MODEL 19 1 H1 GLY -13 HT1 GLY -13 1.079 -11.743 -3.862 2 H2 GLY -13 HT2 GLY -13 0.156 -12.883 -4.691 3 H3 GLY -13 HT3 GLY -13 -0.547 -11.954 -3.471 4 HA2 GLY -13 HA1 GLY -13 0.493 -10.933 -6.045 5 HA3 GLY -13 HA2 GLY -13 -1.205 -11.164 -5.645 6 H GLY -12 HN GLY -12 1.709 -9.324 -4.890 7 HA2 GLY -12 HA2 GLY -12 0.132 -6.975 -4.139 8 HA3 GLY -12 HA1 GLY -12 1.172 -7.643 -2.882 9 H GLY -11 HN GLY -11 1.149 -6.321 -6.174 10 HA2 GLY -11 HA2 GLY -11 3.513 -4.743 -5.736 11 HA3 GLY -11 HA1 GLY -11 3.837 -6.132 -6.773 12 H ARG -10 HN ARG -10 1.111 -3.860 -6.435 13 HA ARG -10 HA ARG -10 -0.200 -2.732 -7.887 14 HB2 ARG -10 HB2 ARG -10 1.871 -1.371 -8.108 15 HB3 ARG -10 HB1 ARG -10 2.403 -2.380 -9.445 16 HG2 ARG -10 HG2 ARG -10 0.641 -1.552 -10.876 17 HG3 ARG -10 HG1 ARG -10 -0.152 -0.738 -9.528 18 HD2 ARG -10 HD2 ARG -10 2.614 0.003 -10.539 19 HD3 ARG -10 HD1 ARG -10 1.126 0.769 -11.111 20 HE ARG -10 HE ARG -10 0.880 1.109 -8.477 21 HH11 ARG -10 HH11 ARG -10 3.653 1.728 -10.524 22 HH12 ARG -10 HH12 ARG -10 4.231 3.029 -9.540 23 HH21 ARG -10 HH21 ARG -10 1.631 2.846 -7.234 24 HH22 ARG -10 HH22 ARG -10 3.089 3.668 -7.693 25 H ASP -9 HN ASP -9 0.159 -5.621 -8.220 26 HA ASP -9 HA ASP -9 0.278 -6.425 -10.922 27 HB2 ASP -9 HB2 ASP -9 -0.622 -8.607 -10.040 28 HB3 ASP -9 HB1 ASP -9 0.786 -8.003 -9.179 29 H TYR -8 HN TYR -8 -1.273 -6.932 -12.396 30 HA TYR -8 HA TYR -8 -3.986 -5.834 -11.962 31 HB2 TYR -8 HB2 TYR -8 -2.478 -6.361 -14.568 32 HB3 TYR -8 HB1 TYR -8 -4.058 -5.599 -14.427 33 HD1 TYR -8 HD2 TYR -8 -0.421 -5.142 -13.598 34 HD2 TYR -8 HD1 TYR -8 -4.234 -3.214 -14.006 35 HE1 TYR -8 HE2 TYR -8 0.655 -2.931 -13.416 36 HE2 TYR -8 HE1 TYR -8 -3.140 -1.017 -13.800 37 HH TYR -8 HH TYR -8 0.241 -0.595 -13.996 38 H LYS -7 HN LYS -7 -2.829 -8.550 -11.274 39 HA LYS -7 HA LYS -7 -4.825 -10.287 -12.594 40 HB2 LYS -7 HB2 LYS -7 -3.070 -12.152 -12.291 41 HB3 LYS -7 HB1 LYS -7 -2.790 -11.008 -13.593 42 HG2 LYS -7 HG2 LYS -7 -1.485 -10.305 -10.997 43 HG3 LYS -7 HG1 LYS -7 -0.875 -11.777 -11.763 44 HD2 LYS -7 HD2 LYS -7 -1.066 -9.058 -13.137 45 HD3 LYS -7 HD1 LYS -7 0.401 -9.703 -12.391 46 HE2 LYS -7 HE2 LYS -7 0.396 -11.589 -13.966 47 HE3 LYS -7 HE1 LYS -7 -1.104 -11.003 -14.696 48 HZ1 LYS -7 HZ1 LYS -7 1.032 -10.440 -15.878 49 HZ2 LYS -7 HZ2 LYS -7 1.358 -9.364 -14.617 50 HZ3 LYS -7 HZ3 LYS -7 -0.008 -9.151 -15.574 51 H ASP -6 HN ASP -6 -4.983 -12.409 -11.238 52 HA ASP -6 HA ASP -6 -5.168 -11.720 -8.357 53 HB2 ASP -6 HB2 ASP -6 -7.026 -13.275 -8.182 54 HB3 ASP -6 HB1 ASP -6 -7.359 -12.154 -9.496 55 H ASP -5 HN ASP -5 -5.472 -14.163 -7.257 56 HA ASP -5 HA ASP -5 -4.535 -16.019 -6.465 57 HB2 ASP -5 HB2 ASP -5 -4.545 -16.892 -8.782 58 HB3 ASP -5 HB1 ASP -5 -2.980 -16.155 -9.086 59 H ASP -4 HN ASP -4 -1.493 -15.248 -8.133 60 HA ASP -4 HA ASP -4 -0.294 -13.668 -6.121 61 HB2 ASP -4 HB2 ASP -4 -0.406 -15.706 -4.724 62 HB3 ASP -4 HB1 ASP -4 0.401 -16.641 -5.986 63 H ASP -3 HN ASP -3 0.470 -12.543 -7.832 64 HA ASP -3 HA ASP -3 3.035 -13.143 -8.851 65 HB2 ASP -3 HB2 ASP -3 1.823 -14.661 -10.411 66 HB3 ASP -3 HB1 ASP -3 0.758 -13.354 -10.900 67 H LYS -2 HN LYS -2 3.978 -11.172 -9.352 68 HA LYS -2 HA LYS -2 2.384 -8.755 -9.254 69 HB2 LYS -2 HB2 LYS -2 4.547 -7.556 -9.659 70 HB3 LYS -2 HB1 LYS -2 4.615 -8.647 -8.285 71 HG2 LYS -2 HG2 LYS -2 5.941 -10.246 -9.499 72 HG3 LYS -2 HG1 LYS -2 5.671 -9.413 -11.026 73 HD2 LYS -2 HD2 LYS -2 7.938 -9.003 -10.204 74 HD3 LYS -2 HD1 LYS -2 7.009 -7.505 -10.249 75 HE2 LYS -2 HE2 LYS -2 6.674 -7.610 -7.824 76 HE3 LYS -2 HE1 LYS -2 7.519 -9.162 -7.758 77 HZ1 LYS -2 HZ1 LYS -2 8.718 -6.583 -8.624 78 HZ2 LYS -2 HZ2 LYS -2 9.525 -8.066 -8.501 79 HZ3 LYS -2 HZ3 LYS -2 8.931 -7.311 -7.113 80 H GLY -1 HN GLY -1 4.308 -10.415 -11.791 81 HA2 GLY -1 HA2 GLY -1 4.492 -10.077 -14.053 82 HA3 GLY -1 HA1 GLY -1 2.737 -10.114 -13.980 83 H THR 0 HN THR 0 5.095 -7.727 -12.847 84 HA THR 0 HA THR 0 3.826 -5.649 -14.525 85 HB THR 0 HB THR 0 4.423 -4.070 -12.538 86 HG1 THR 0 HG1 THR 0 4.056 -5.605 -10.527 87 HG21 THR 0 HG21 THR 0 2.163 -6.072 -12.183 88 HG22 THR 0 HG22 THR 0 2.095 -4.589 -13.140 89 HG23 THR 0 HG23 THR 0 2.284 -4.504 -11.385 90 H MET 1 HN MET 1 5.143 -4.038 -15.252 91 HA MET 1 HA MET 1 8.048 -4.472 -15.131 92 HB2 MET 1 HB2 MET 1 8.090 -3.749 -17.550 93 HB3 MET 1 HB1 MET 1 7.270 -5.276 -17.267 94 HG2 MET 1 HG2 MET 1 5.090 -3.924 -17.289 95 HG3 MET 1 HG1 MET 1 6.051 -2.614 -17.973 96 HE1 MET 1 HE1 MET 1 7.309 -4.385 -21.303 97 HE2 MET 1 HE2 MET 1 8.134 -4.454 -19.744 98 HE3 MET 1 HE3 MET 1 7.438 -2.933 -20.308 99 H GLU 2 HN GLU 2 8.905 -2.861 -14.008 100 HA GLU 2 HA GLU 2 7.747 -0.175 -13.986 101 HB2 GLU 2 HB2 GLU 2 8.634 -1.138 -11.861 102 HB3 GLU 2 HB1 GLU 2 10.246 -1.208 -12.570 103 HG2 GLU 2 HG2 GLU 2 10.182 1.280 -12.846 104 HG3 GLU 2 HG1 GLU 2 8.622 1.302 -12.031 105 H LEU 3 HN LEU 3 8.427 1.410 -15.303 106 HA LEU 3 HA LEU 3 10.784 0.942 -17.033 107 HB2 LEU 3 HB2 LEU 3 8.158 2.185 -17.938 108 HB3 LEU 3 HB1 LEU 3 9.499 1.635 -18.938 109 HG LEU 3 HG LEU 3 7.687 -0.205 -17.326 110 HD11 LEU 3 HD11 LEU 3 6.731 -0.852 -19.516 111 HD12 LEU 3 HD12 LEU 3 7.648 0.451 -20.278 112 HD13 LEU 3 HD13 LEU 3 6.405 0.826 -19.086 113 HD21 LEU 3 HD21 LEU 3 9.877 -1.215 -17.623 114 HD22 LEU 3 HD22 LEU 3 9.867 -0.847 -19.346 115 HD23 LEU 3 HD23 LEU 3 8.724 -2.019 -18.688 116 H GLU 4 HN GLU 4 12.092 2.672 -17.292 117 HA GLU 4 HA GLU 4 11.518 5.204 -15.959 118 HB2 GLU 4 HB2 GLU 4 13.721 4.294 -15.553 119 HB3 GLU 4 HB1 GLU 4 14.012 4.051 -17.266 120 HG2 GLU 4 HG2 GLU 4 15.311 5.925 -16.461 121 HG3 GLU 4 HG1 GLU 4 14.111 6.486 -17.616 122 H LEU 5 HN LEU 5 10.095 6.287 -17.180 123 HA LEU 5 HA LEU 5 10.381 6.620 -20.061 124 HB2 LEU 5 HB2 LEU 5 8.179 7.678 -18.291 125 HB3 LEU 5 HB1 LEU 5 8.158 7.502 -20.043 126 HG LEU 5 HG LEU 5 8.023 5.294 -17.953 127 HD11 LEU 5 HD11 LEU 5 5.853 4.813 -18.970 128 HD12 LEU 5 HD12 LEU 5 6.068 6.159 -20.092 129 HD13 LEU 5 HD13 LEU 5 5.928 6.466 -18.359 130 HD21 LEU 5 HD21 LEU 5 8.256 4.945 -20.962 131 HD22 LEU 5 HD22 LEU 5 7.891 3.668 -19.798 132 HD23 LEU 5 HD23 LEU 5 9.455 4.473 -19.753 133 H ARG 6 HN ARG 6 11.803 8.147 -20.589 134 HA ARG 6 HA ARG 6 12.019 10.613 -19.008 135 HB2 ARG 6 HB2 ARG 6 13.949 9.658 -21.156 136 HB3 ARG 6 HB1 ARG 6 14.231 10.874 -19.907 137 HG2 ARG 6 HG2 ARG 6 13.947 8.956 -18.209 138 HG3 ARG 6 HG1 ARG 6 14.041 7.861 -19.590 139 HD2 ARG 6 HD2 ARG 6 16.235 7.970 -18.675 140 HD3 ARG 6 HD1 ARG 6 16.280 8.960 -20.138 141 HE ARG 6 HE ARG 6 15.771 10.275 -17.563 142 HH11 ARG 6 HH11 ARG 6 18.020 9.783 -20.219 143 HH12 ARG 6 HH12 ARG 6 19.097 11.027 -19.669 144 HH21 ARG 6 HH21 ARG 6 17.155 11.894 -16.901 145 HH22 ARG 6 HH22 ARG 6 18.608 12.211 -17.791 146 H PHE 7 HN PHE 7 10.992 12.332 -19.768 147 HA PHE 7 HA PHE 7 10.126 12.497 -22.605 148 HB2 PHE 7 HB2 PHE 7 9.125 13.997 -20.123 149 HB3 PHE 7 HB1 PHE 7 8.487 14.180 -21.759 150 HD1 PHE 7 HD2 PHE 7 8.865 11.796 -18.949 151 HD2 PHE 7 HD1 PHE 7 6.931 12.594 -22.671 152 HE1 PHE 7 HE2 PHE 7 7.376 9.872 -18.608 153 HE2 PHE 7 HE1 PHE 7 5.436 10.668 -22.306 154 HZ PHE 7 HZ PHE 7 5.673 9.303 -20.273 155 H PHE 8 HN PHE 8 10.684 14.231 -23.850 156 HA PHE 8 HA PHE 8 12.443 16.314 -22.697 157 HB2 PHE 8 HB2 PHE 8 12.977 14.807 -25.304 158 HB3 PHE 8 HB1 PHE 8 13.957 16.123 -24.651 159 HD1 PHE 8 HD1 PHE 8 14.866 15.758 -22.191 160 HD2 PHE 8 HD2 PHE 8 13.602 12.582 -24.759 161 HE1 PHE 8 HE1 PHE 8 16.097 14.144 -20.808 162 HE2 PHE 8 HE2 PHE 8 14.853 10.976 -23.383 163 HZ PHE 8 HZ PHE 8 16.092 11.748 -21.387 164 H ALA 9 HN ALA 9 12.551 18.250 -23.887 165 HA ALA 9 HA ALA 9 11.750 20.055 -24.921 166 HB1 ALA 9 HB1 ALA 9 10.957 19.820 -27.216 167 HB2 ALA 9 HB2 ALA 9 10.723 18.092 -26.955 168 HB3 ALA 9 HB3 ALA 9 12.348 18.779 -26.903 169 H THR 10 HN THR 10 8.970 19.263 -26.603 170 HA THR 10 HA THR 10 7.214 20.697 -24.936 171 HB THR 10 HB THR 10 6.601 18.840 -27.276 172 HG1 THR 10 HG1 THR 10 6.717 20.677 -28.493 173 HG21 THR 10 HG21 THR 10 4.808 20.947 -26.006 174 HG22 THR 10 HG22 THR 10 4.560 19.201 -25.930 175 HG23 THR 10 HG23 THR 10 4.451 20.039 -27.478 176 H PHE 11 HN PHE 11 7.509 17.186 -25.584 177 HA PHE 11 HA PHE 11 5.364 16.317 -23.988 178 HB2 PHE 11 HB2 PHE 11 7.893 14.898 -24.905 179 HB3 PHE 11 HB1 PHE 11 6.649 14.076 -23.974 180 HD1 PHE 11 HD1 PHE 11 4.966 16.374 -26.095 181 HD2 PHE 11 HD2 PHE 11 7.024 12.620 -26.196 182 HE1 PHE 11 HE1 PHE 11 3.782 15.764 -28.159 183 HE2 PHE 11 HE2 PHE 11 5.827 12.033 -28.263 184 HZ PHE 11 HZ PHE 11 4.200 13.592 -29.239 185 H ARG 12 HN ARG 12 8.572 17.338 -23.117 186 HA ARG 12 HA ARG 12 8.631 16.240 -20.488 187 HB2 ARG 12 HB2 ARG 12 10.658 16.857 -21.692 188 HB3 ARG 12 HB1 ARG 12 10.195 18.540 -21.680 189 HG2 ARG 12 HG2 ARG 12 10.477 17.165 -19.023 190 HG3 ARG 12 HG1 ARG 12 11.950 17.474 -19.932 191 HD2 ARG 12 HD2 ARG 12 9.932 19.531 -18.966 192 HD3 ARG 12 HD1 ARG 12 11.587 19.298 -18.388 193 HE ARG 12 HE ARG 12 12.159 19.847 -20.864 194 HH11 ARG 12 HH11 ARG 12 9.638 21.421 -18.989 195 HH12 ARG 12 HH12 ARG 12 9.762 22.899 -19.881 196 HH21 ARG 12 HH21 ARG 12 12.253 21.789 -22.028 197 HH22 ARG 12 HH22 ARG 12 11.222 23.107 -21.575 198 H GLU 13 HN GLU 13 7.772 19.491 -21.768 199 HA GLU 13 HA GLU 13 7.171 20.537 -19.150 200 HB2 GLU 13 HB2 GLU 13 6.416 22.591 -20.310 201 HB3 GLU 13 HB1 GLU 13 8.017 22.082 -20.807 202 HG2 GLU 13 HG2 GLU 13 7.068 22.774 -22.800 203 HG3 GLU 13 HG1 GLU 13 6.840 21.032 -22.860 204 H VAL 14 HN VAL 14 5.361 18.816 -21.524 205 HA VAL 14 HA VAL 14 2.733 19.248 -20.540 206 HB VAL 14 HB VAL 14 3.968 16.845 -21.950 207 HG11 VAL 14 HG11 VAL 14 2.065 16.051 -20.665 208 HG12 VAL 14 HG12 VAL 14 1.642 16.086 -22.375 209 HG13 VAL 14 HG13 VAL 14 1.048 17.348 -21.298 210 HG21 VAL 14 HG21 VAL 14 2.144 19.037 -23.017 211 HG22 VAL 14 HG22 VAL 14 2.765 17.668 -23.944 212 HG23 VAL 14 HG23 VAL 14 3.875 18.893 -23.327 213 H VAL 15 HN VAL 15 5.114 16.714 -19.866 214 HA VAL 15 HA VAL 15 3.607 15.525 -17.735 215 HB VAL 15 HB VAL 15 6.488 15.093 -18.662 216 HG11 VAL 15 HG11 VAL 15 4.887 13.390 -16.705 217 HG12 VAL 15 HG12 VAL 15 6.295 14.373 -16.307 218 HG13 VAL 15 HG13 VAL 15 6.470 12.976 -17.370 219 HG21 VAL 15 HG21 VAL 15 4.790 14.479 -20.344 220 HG22 VAL 15 HG22 VAL 15 3.952 13.472 -19.159 221 HG23 VAL 15 HG23 VAL 15 5.571 13.031 -19.704 222 H GLY 16 HN GLY 16 5.748 18.178 -17.989 223 HA2 GLY 16 HA2 GLY 16 6.653 19.668 -16.516 224 HA3 GLY 16 HA1 GLY 16 5.664 18.949 -15.254 225 H GLN 17 HN GLN 17 7.673 16.770 -16.967 226 HA GLN 17 HA GLN 17 9.789 16.681 -14.943 227 HB2 GLN 17 HB2 GLN 17 8.110 14.167 -15.440 228 HB3 GLN 17 HB1 GLN 17 9.307 14.439 -14.178 229 HG2 GLN 17 HG2 GLN 17 7.704 16.082 -13.132 230 HG3 GLN 17 HG1 GLN 17 6.536 15.650 -14.358 231 HE21 GLN 17 HE21 GLN 17 5.476 13.669 -14.241 232 HE22 GLN 17 HE22 GLN 17 5.516 12.685 -12.824 233 H LYS 18 HN LYS 18 11.672 15.799 -15.852 234 HA LYS 18 HA LYS 18 11.597 15.222 -18.719 235 HB2 LYS 18 HB2 LYS 18 14.029 15.387 -18.741 236 HB3 LYS 18 HB1 LYS 18 13.326 16.805 -17.983 237 HG2 LYS 18 HG2 LYS 18 14.403 14.518 -16.310 238 HG3 LYS 18 HG1 LYS 18 15.481 15.750 -16.964 239 HD2 LYS 18 HD2 LYS 18 13.149 16.225 -15.060 240 HD3 LYS 18 HD1 LYS 18 14.865 16.276 -14.647 241 HE2 LYS 18 HE2 LYS 18 13.398 18.172 -16.516 242 HE3 LYS 18 HE1 LYS 18 13.983 18.541 -14.890 243 HZ1 LYS 18 HZ1 LYS 18 16.254 18.110 -15.718 244 HZ2 LYS 18 HZ2 LYS 18 15.499 19.402 -16.503 245 HZ3 LYS 18 HZ3 LYS 18 15.633 17.907 -17.277 246 H SER 19 HN SER 19 11.677 13.431 -15.814 247 HA SER 19 HA SER 19 11.817 10.926 -17.300 248 HB2 SER 19 HB2 SER 19 13.672 11.205 -14.905 249 HB3 SER 19 HB1 SER 19 13.632 9.928 -16.107 250 HG SER 19 HG SER 19 14.219 11.815 -17.592 251 H ILE 20 HN ILE 20 10.551 9.381 -16.288 252 HA ILE 20 HA ILE 20 9.717 9.691 -13.487 253 HB ILE 20 HB ILE 20 7.329 9.430 -13.926 254 HG12 ILE 20 HG12 ILE 20 8.017 9.449 -16.901 255 HG13 ILE 20 HG11 ILE 20 7.369 8.077 -16.000 256 HG21 ILE 20 HG21 ILE 20 8.186 11.750 -13.921 257 HG22 ILE 20 HG22 ILE 20 6.767 11.580 -14.953 258 HG23 ILE 20 HG23 ILE 20 8.376 11.670 -15.677 259 HD11 ILE 20 HD11 ILE 20 5.916 10.679 -16.541 260 HD12 ILE 20 HD12 ILE 20 5.269 9.310 -15.630 261 HD13 ILE 20 HD13 ILE 20 5.637 9.133 -17.345 262 H TYR 21 HN TYR 21 9.488 7.694 -12.510 263 HA TYR 21 HA TYR 21 9.764 5.278 -14.132 264 HB2 TYR 21 HB2 TYR 21 9.598 5.708 -11.124 265 HB3 TYR 21 HB1 TYR 21 9.659 4.117 -11.871 266 HD1 TYR 21 HD2 TYR 21 11.728 3.540 -13.333 267 HD2 TYR 21 HD1 TYR 21 11.625 6.901 -10.686 268 HE1 TYR 21 HE2 TYR 21 14.182 3.562 -13.251 269 HE2 TYR 21 HE1 TYR 21 14.078 6.910 -10.608 270 HH TYR 21 HH TYR 21 15.930 5.207 -10.946 271 H TRP 22 HN TRP 22 7.966 4.689 -15.113 272 HA TRP 22 HA TRP 22 5.332 4.684 -13.827 273 HB2 TRP 22 HB2 TRP 22 6.356 4.635 -16.589 274 HB3 TRP 22 HB1 TRP 22 5.160 3.372 -16.348 275 HD1 TRP 22 HD1 TRP 22 5.045 7.038 -14.996 276 HE1 TRP 22 HE1 TRP 22 2.927 8.136 -15.962 277 HE3 TRP 22 HE3 TRP 22 3.421 3.197 -17.926 278 HZ2 TRP 22 HZ2 TRP 22 0.840 7.458 -17.743 279 HZ3 TRP 22 HZ3 TRP 22 1.359 3.495 -19.230 280 HH2 TRP 22 HH2 TRP 22 0.103 5.583 -19.124 281 H ARG 23 HN ARG 23 4.084 2.578 -14.073 282 HA ARG 23 HA ARG 23 5.583 0.133 -14.379 283 HB2 ARG 23 HB2 ARG 23 5.986 0.728 -11.972 284 HB3 ARG 23 HB1 ARG 23 4.251 0.640 -11.680 285 HG2 ARG 23 HG2 ARG 23 4.211 -1.730 -12.111 286 HG3 ARG 23 HG1 ARG 23 5.855 -1.709 -12.758 287 HD2 ARG 23 HD2 ARG 23 6.705 -1.075 -10.511 288 HD3 ARG 23 HD1 ARG 23 5.056 -1.162 -9.882 289 HE ARG 23 HE ARG 23 5.935 -3.596 -11.145 290 HH11 ARG 23 HH11 ARG 23 5.946 -1.825 -8.118 291 HH12 ARG 23 HH12 ARG 23 6.245 -3.241 -7.165 292 HH21 ARG 23 HH21 ARG 23 6.295 -5.433 -9.877 293 HH22 ARG 23 HH22 ARG 23 6.434 -5.267 -8.152 294 H VAL 24 HN VAL 24 4.379 -0.777 -15.756 295 HA VAL 24 HA VAL 24 1.423 -0.902 -15.556 296 HB VAL 24 HB VAL 24 1.645 -1.452 -18.122 297 HG11 VAL 24 HG11 VAL 24 2.276 1.392 -17.237 298 HG12 VAL 24 HG12 VAL 24 0.668 0.670 -17.321 299 HG13 VAL 24 HG13 VAL 24 1.602 0.907 -18.800 300 HG21 VAL 24 HG21 VAL 24 4.369 -0.153 -17.680 301 HG22 VAL 24 HG22 VAL 24 3.650 -0.506 -19.254 302 HG23 VAL 24 HG23 VAL 24 4.076 -1.824 -18.167 303 H ASP 25 HN ASP 25 0.735 -3.021 -16.943 304 HA ASP 25 HA ASP 25 1.859 -5.298 -15.579 305 HB2 ASP 25 HB2 ASP 25 -0.616 -4.908 -16.293 306 HB3 ASP 25 HB1 ASP 25 -0.110 -5.423 -17.900 307 H ASP 26 HN ASP 26 2.588 -7.295 -16.874 308 HA ASP 26 HA ASP 26 4.944 -6.490 -18.277 309 HB2 ASP 26 HB2 ASP 26 5.598 -8.822 -18.221 310 HB3 ASP 26 HB1 ASP 26 4.881 -8.404 -16.671 311 H ASP 27 HN ASP 27 1.837 -7.081 -19.423 312 HA ASP 27 HA ASP 27 2.511 -8.082 -22.060 313 HB2 ASP 27 HB2 ASP 27 -0.042 -6.932 -20.886 314 HB3 ASP 27 HB1 ASP 27 0.078 -7.492 -22.546 315 H ALA 28 HN ALA 28 2.654 -5.016 -20.595 316 HA ALA 28 HA ALA 28 1.866 -3.387 -22.829 317 HB1 ALA 28 HB1 ALA 28 1.625 -2.593 -20.513 318 HB2 ALA 28 HB2 ALA 28 2.633 -1.503 -21.469 319 HB3 ALA 28 HB3 ALA 28 3.379 -2.621 -20.322 320 H THR 29 HN THR 29 3.084 -2.800 -24.511 321 HA THR 29 HA THR 29 6.037 -3.003 -24.365 322 HB THR 29 HB THR 29 6.008 -3.049 -26.841 323 HG1 THR 29 HG1 THR 29 3.327 -3.582 -27.124 324 HG21 THR 29 HG21 THR 29 5.011 -5.281 -27.185 325 HG22 THR 29 HG22 THR 29 4.147 -5.148 -25.651 326 HG23 THR 29 HG23 THR 29 5.910 -5.223 -25.666 327 H VAL 30 HN VAL 30 6.935 -1.307 -26.150 328 HA VAL 30 HA VAL 30 6.860 1.199 -24.972 329 HB VAL 30 HB VAL 30 8.777 0.543 -26.249 330 HG11 VAL 30 HG11 VAL 30 7.040 0.434 -28.740 331 HG12 VAL 30 HG12 VAL 30 7.745 -0.941 -27.888 332 HG13 VAL 30 HG13 VAL 30 8.794 0.219 -28.703 333 HG21 VAL 30 HG21 VAL 30 9.219 2.500 -27.693 334 HG22 VAL 30 HG22 VAL 30 8.385 2.988 -26.217 335 HG23 VAL 30 HG23 VAL 30 7.494 2.876 -27.736 336 H GLY 31 HN GLY 31 4.906 -0.019 -27.621 337 HA2 GLY 31 HA2 GLY 31 3.580 2.407 -28.344 338 HA3 GLY 31 HA1 GLY 31 3.053 0.773 -28.707 339 H ASP 32 HN ASP 32 2.716 -0.237 -26.095 340 HA ASP 32 HA ASP 32 0.168 0.779 -25.361 341 HB2 ASP 32 HB2 ASP 32 0.916 -1.596 -24.943 342 HB3 ASP 32 HB1 ASP 32 1.978 -1.013 -23.678 343 H VAL 33 HN VAL 33 3.425 1.369 -24.211 344 HA VAL 33 HA VAL 33 2.952 2.737 -21.808 345 HB VAL 33 HB VAL 33 5.178 2.937 -23.874 346 HG11 VAL 33 HG11 VAL 33 6.542 4.195 -22.230 347 HG12 VAL 33 HG12 VAL 33 5.129 4.341 -21.180 348 HG13 VAL 33 HG13 VAL 33 5.132 5.113 -22.765 349 HG21 VAL 33 HG21 VAL 33 5.089 1.690 -21.101 350 HG22 VAL 33 HG22 VAL 33 6.491 1.703 -22.179 351 HG23 VAL 33 HG23 VAL 33 5.033 0.822 -22.636 352 H LEU 34 HN LEU 34 3.546 4.179 -25.045 353 HA LEU 34 HA LEU 34 2.768 6.781 -24.207 354 HB2 LEU 34 HB2 LEU 34 2.847 7.316 -26.715 355 HB3 LEU 34 HB1 LEU 34 4.318 6.807 -25.918 356 HG LEU 34 HG LEU 34 3.739 4.427 -26.901 357 HD11 LEU 34 HD11 LEU 34 1.504 4.918 -27.733 358 HD12 LEU 34 HD12 LEU 34 2.581 4.440 -29.042 359 HD13 LEU 34 HD13 LEU 34 2.160 6.141 -28.826 360 HD21 LEU 34 HD21 LEU 34 4.760 6.657 -28.692 361 HD22 LEU 34 HD22 LEU 34 5.028 4.928 -28.936 362 HD23 LEU 34 HD23 LEU 34 5.714 5.733 -27.528 363 H ARG 35 HN ARG 35 0.972 4.122 -25.661 364 HA ARG 35 HA ARG 35 -1.467 5.365 -26.190 365 HB2 ARG 35 HB2 ARG 35 -1.242 3.109 -26.872 366 HB3 ARG 35 HB1 ARG 35 -0.743 2.567 -25.284 367 HG2 ARG 35 HG2 ARG 35 -3.026 1.795 -26.017 368 HG3 ARG 35 HG1 ARG 35 -2.993 2.614 -24.451 369 HD2 ARG 35 HD2 ARG 35 -3.754 4.695 -25.515 370 HD3 ARG 35 HD1 ARG 35 -3.828 3.874 -27.091 371 HE ARG 35 HE ARG 35 -5.645 2.548 -26.250 372 HH11 ARG 35 HH11 ARG 35 -4.766 5.239 -24.141 373 HH12 ARG 35 HH12 ARG 35 -6.328 5.298 -23.386 374 HH21 ARG 35 HH21 ARG 35 -7.682 2.665 -25.269 375 HH22 ARG 35 HH22 ARG 35 -7.976 3.838 -24.027 376 H SER 36 HN SER 36 -0.293 4.067 -23.113 377 HA SER 36 HA SER 36 -2.662 4.779 -21.668 378 HB2 SER 36 HB2 SER 36 0.029 3.811 -20.695 379 HB3 SER 36 HB1 SER 36 -1.446 3.908 -19.741 380 HG SER 36 HG SER 36 -0.671 2.046 -21.608 381 H LEU 37 HN LEU 37 0.463 6.299 -22.268 382 HA LEU 37 HA LEU 37 0.589 8.181 -20.203 383 HB2 LEU 37 HB2 LEU 37 1.907 7.843 -22.824 384 HB3 LEU 37 HB1 LEU 37 1.756 9.524 -22.387 385 HG LEU 37 HG LEU 37 3.913 8.801 -21.691 386 HD11 LEU 37 HD11 LEU 37 3.911 9.250 -19.295 387 HD12 LEU 37 HD12 LEU 37 2.172 8.954 -19.213 388 HD13 LEU 37 HD13 LEU 37 2.796 10.328 -20.133 389 HD21 LEU 37 HD21 LEU 37 4.316 6.951 -20.151 390 HD22 LEU 37 HD22 LEU 37 3.604 6.419 -21.666 391 HD23 LEU 37 HD23 LEU 37 2.609 6.520 -20.216 392 H GLU 38 HN GLU 38 -0.987 8.502 -23.393 393 HA GLU 38 HA GLU 38 -1.817 11.199 -23.058 394 HB2 GLU 38 HB2 GLU 38 -3.410 10.719 -24.952 395 HB3 GLU 38 HB1 GLU 38 -1.719 10.403 -25.267 396 HG2 GLU 38 HG2 GLU 38 -2.510 8.497 -26.193 397 HG3 GLU 38 HG1 GLU 38 -2.449 7.917 -24.536 398 H ALA 39 HN ALA 39 -3.122 8.217 -21.897 399 HA ALA 39 HA ALA 39 -5.808 9.045 -21.456 400 HB1 ALA 39 HB1 ALA 39 -4.232 6.853 -20.048 401 HB2 ALA 39 HB2 ALA 39 -5.158 6.661 -21.538 402 HB3 ALA 39 HB3 ALA 39 -5.990 7.043 -20.030 403 H GLU 40 HN GLU 40 -2.829 9.638 -19.743 404 HA GLU 40 HA GLU 40 -4.238 10.726 -17.386 405 HB2 GLU 40 HB2 GLU 40 -1.228 10.682 -17.781 406 HB3 GLU 40 HB1 GLU 40 -2.136 10.835 -16.275 407 HG2 GLU 40 HG2 GLU 40 -2.968 8.408 -16.850 408 HG3 GLU 40 HG1 GLU 40 -1.582 8.394 -17.942 409 H TYR 41 HN TYR 41 -1.742 11.698 -19.747 410 HA TYR 41 HA TYR 41 -1.902 14.476 -18.904 411 HB2 TYR 41 HB2 TYR 41 0.008 13.063 -20.809 412 HB3 TYR 41 HB1 TYR 41 0.133 14.758 -20.340 413 HD1 TYR 41 HD2 TYR 41 0.520 11.256 -19.160 414 HD2 TYR 41 HD1 TYR 41 1.006 15.375 -18.133 415 HE1 TYR 41 HE2 TYR 41 1.895 10.616 -17.221 416 HE2 TYR 41 HE1 TYR 41 2.388 14.737 -16.202 417 HH TYR 41 HH TYR 41 3.657 11.638 -15.783 418 H ASP 42 HN ASP 42 -3.245 15.831 -19.914 419 HA ASP 42 HA ASP 42 -4.670 15.319 -22.310 420 HB2 ASP 42 HB2 ASP 42 -4.196 18.009 -20.945 421 HB3 ASP 42 HB1 ASP 42 -5.437 17.675 -22.148 422 H GLY 43 HN GLY 43 -1.709 17.096 -21.640 423 HA2 GLY 43 HA2 GLY 43 -1.441 18.356 -24.215 424 HA3 GLY 43 HA1 GLY 43 -0.239 18.293 -22.940 425 H LEU 44 HN LEU 44 -0.987 15.142 -23.295 426 HA LEU 44 HA LEU 44 0.982 14.630 -25.445 427 HB2 LEU 44 HB2 LEU 44 -0.059 12.875 -23.210 428 HB3 LEU 44 HB1 LEU 44 0.931 12.256 -24.507 429 HG LEU 44 HG LEU 44 1.765 14.266 -22.398 430 HD11 LEU 44 HD11 LEU 44 1.708 11.985 -21.555 431 HD12 LEU 44 HD12 LEU 44 3.366 12.565 -21.673 432 HD13 LEU 44 HD13 LEU 44 2.736 11.441 -22.883 433 HD21 LEU 44 HD21 LEU 44 2.819 14.908 -24.485 434 HD22 LEU 44 HD22 LEU 44 3.373 13.256 -24.760 435 HD23 LEU 44 HD23 LEU 44 4.021 14.195 -23.413 436 H ALA 45 HN ALA 45 -2.354 14.655 -24.857 437 HA ALA 45 HA ALA 45 -3.294 12.271 -25.994 438 HB1 ALA 45 HB1 ALA 45 -4.642 13.746 -24.556 439 HB2 ALA 45 HB2 ALA 45 -5.473 13.418 -26.079 440 HB3 ALA 45 HB3 ALA 45 -4.668 14.972 -25.827 441 H GLY 46 HN GLY 46 -3.156 11.565 -28.038 442 HA2 GLY 46 HA2 GLY 46 -3.626 11.423 -30.281 443 HA3 GLY 46 HA1 GLY 46 -4.155 13.091 -30.267 444 H ARG 47 HN ARG 47 -1.046 13.011 -29.016 445 HA ARG 47 HA ARG 47 0.177 13.616 -31.661 446 HB2 ARG 47 HB2 ARG 47 1.691 15.217 -30.185 447 HB3 ARG 47 HB1 ARG 47 0.115 15.751 -30.759 448 HG2 ARG 47 HG2 ARG 47 -0.900 15.365 -28.624 449 HG3 ARG 47 HG1 ARG 47 0.529 14.529 -28.021 450 HD2 ARG 47 HD2 ARG 47 0.195 16.862 -27.164 451 HD3 ARG 47 HD1 ARG 47 1.764 16.540 -27.876 452 HE ARG 47 HE ARG 47 0.075 17.635 -29.844 453 HH11 ARG 47 HH11 ARG 47 1.654 18.657 -26.870 454 HH12 ARG 47 HH12 ARG 47 1.756 20.315 -27.360 455 HH21 ARG 47 HH21 ARG 47 0.191 19.809 -30.450 456 HH22 ARG 47 HH22 ARG 47 0.925 20.966 -29.386 457 H LEU 48 HN LEU 48 0.256 11.461 -29.188 458 HA LEU 48 HA LEU 48 3.058 10.680 -29.786 459 HB2 LEU 48 HB2 LEU 48 3.309 9.766 -27.638 460 HB3 LEU 48 HB1 LEU 48 2.542 11.314 -27.368 461 HG LEU 48 HG LEU 48 1.431 8.527 -27.001 462 HD11 LEU 48 HD11 LEU 48 2.607 9.393 -25.117 463 HD12 LEU 48 HD12 LEU 48 0.888 9.398 -24.732 464 HD13 LEU 48 HD13 LEU 48 1.703 10.901 -25.166 465 HD21 LEU 48 HD21 LEU 48 -0.321 9.754 -28.222 466 HD22 LEU 48 HD22 LEU 48 -0.313 10.986 -26.967 467 HD23 LEU 48 HD23 LEU 48 -0.786 9.338 -26.580 468 H ILE 49 HN ILE 49 -0.149 9.992 -30.334 469 HA ILE 49 HA ILE 49 0.572 7.419 -31.598 470 HB ILE 49 HB ILE 49 -2.045 8.042 -30.163 471 HG12 ILE 49 HG12 ILE 49 0.016 5.828 -29.806 472 HG13 ILE 49 HG11 ILE 49 -0.334 7.139 -28.681 473 HG21 ILE 49 HG21 ILE 49 -1.494 5.673 -32.027 474 HG22 ILE 49 HG22 ILE 49 -2.611 7.001 -32.345 475 HG23 ILE 49 HG23 ILE 49 -2.942 5.875 -31.034 476 HD11 ILE 49 HD11 ILE 49 -2.261 4.947 -29.431 477 HD12 ILE 49 HD12 ILE 49 -2.495 6.193 -28.199 478 HD13 ILE 49 HD13 ILE 49 -1.239 4.972 -28.004 479 H GLU 50 HN GLU 50 0.104 7.428 -33.754 480 HA GLU 50 HA GLU 50 -2.131 9.102 -34.749 481 HB2 GLU 50 HB2 GLU 50 0.301 9.987 -35.250 482 HB3 GLU 50 HB1 GLU 50 0.385 8.668 -36.405 483 HG2 GLU 50 HG2 GLU 50 -1.655 10.925 -36.441 484 HG3 GLU 50 HG1 GLU 50 -0.190 10.865 -37.416 485 H ASP 51 HN ASP 51 -3.590 7.525 -35.165 486 HA ASP 51 HA ASP 51 -4.706 5.875 -36.226 487 HB2 ASP 51 HB2 ASP 51 -3.801 7.253 -38.173 488 HB3 ASP 51 HB1 ASP 51 -2.519 6.055 -38.338 489 H GLY 52 HN GLY 52 -2.715 5.060 -34.282 490 HA2 GLY 52 HA2 GLY 52 -2.494 2.926 -33.336 491 HA3 GLY 52 HA1 GLY 52 -2.675 2.199 -34.921 492 H GLU 53 HN GLU 53 -0.409 4.542 -35.424 493 HA GLU 53 HA GLU 53 1.863 2.940 -34.372 494 HB2 GLU 53 HB2 GLU 53 3.325 4.098 -35.964 495 HB3 GLU 53 HB1 GLU 53 2.027 3.260 -36.803 496 HG2 GLU 53 HG2 GLU 53 0.938 5.243 -37.390 497 HG3 GLU 53 HG1 GLU 53 1.744 6.193 -36.152 498 H VAL 54 HN VAL 54 3.847 4.708 -34.174 499 HA VAL 54 HA VAL 54 3.227 6.079 -31.793 500 HB VAL 54 HB VAL 54 5.583 7.005 -31.940 501 HG11 VAL 54 HG11 VAL 54 5.113 4.886 -30.797 502 HG12 VAL 54 HG12 VAL 54 6.682 4.809 -31.599 503 HG13 VAL 54 HG13 VAL 54 5.286 4.006 -32.318 504 HG21 VAL 54 HG21 VAL 54 5.745 5.390 -34.523 505 HG22 VAL 54 HG22 VAL 54 7.120 6.127 -33.696 506 HG23 VAL 54 HG23 VAL 54 5.859 7.147 -34.393 507 H LYS 55 HN LYS 55 4.069 7.412 -35.057 508 HA LYS 55 HA LYS 55 2.400 9.351 -35.596 509 HB2 LYS 55 HB2 LYS 55 2.392 10.426 -33.434 510 HB3 LYS 55 HB1 LYS 55 4.127 10.506 -33.371 511 HG2 LYS 55 HG2 LYS 55 3.493 12.725 -33.739 512 HG3 LYS 55 HG1 LYS 55 3.910 12.178 -35.360 513 HD2 LYS 55 HD2 LYS 55 1.838 13.504 -35.384 514 HD3 LYS 55 HD1 LYS 55 1.525 11.840 -35.881 515 HE2 LYS 55 HE2 LYS 55 0.666 11.319 -33.626 516 HE3 LYS 55 HE1 LYS 55 0.994 12.976 -33.118 517 HZ1 LYS 55 HZ1 LYS 55 -0.902 12.186 -35.257 518 HZ2 LYS 55 HZ2 LYS 55 -0.633 13.752 -34.695 519 HZ3 LYS 55 HZ3 LYS 55 -1.330 12.598 -33.679 520 HA PRO 56 HA PRO 56 5.754 10.096 -38.642 521 HB2 PRO 56 HB2 PRO 56 4.582 12.450 -39.653 522 HB3 PRO 56 HB1 PRO 56 4.221 10.816 -40.229 523 HG2 PRO 56 HG2 PRO 56 2.745 12.476 -38.174 524 HG3 PRO 56 HG1 PRO 56 2.082 11.529 -39.519 525 HD2 PRO 56 HD2 PRO 56 1.994 10.522 -37.091 526 HD3 PRO 56 HD1 PRO 56 2.495 9.464 -38.429 527 H HIS 57 HN HIS 57 7.608 11.017 -38.057 528 HA HIS 57 HA HIS 57 9.192 12.542 -37.621 529 HB2 HIS 57 HB2 HIS 57 6.950 14.585 -37.405 530 HB3 HIS 57 HB1 HIS 57 8.666 14.977 -37.413 531 HD1 HIS 57 HD1 HIS 57 9.908 14.842 -39.672 532 HD2 HIS 57 HD2 HIS 57 5.868 13.915 -39.937 533 HE1 HIS 57 HE1 HIS 57 9.373 14.864 -42.123 534 HE2 HIS 57 HE2 HIS 57 6.884 14.502 -42.234 535 H VAL 58 HN VAL 58 6.958 11.614 -35.279 536 HA VAL 58 HA VAL 58 8.125 13.039 -33.045 537 HB VAL 58 HB VAL 58 5.758 11.874 -33.108 538 HG11 VAL 58 HG11 VAL 58 7.371 9.471 -32.176 539 HG12 VAL 58 HG12 VAL 58 6.492 9.592 -33.702 540 HG13 VAL 58 HG13 VAL 58 5.608 9.612 -32.176 541 HG21 VAL 58 HG21 VAL 58 7.496 11.577 -30.637 542 HG22 VAL 58 HG22 VAL 58 5.728 11.617 -30.663 543 HG23 VAL 58 HG23 VAL 58 6.651 13.041 -31.143 544 H ASN 59 HN ASN 59 9.949 12.437 -31.876 545 HA ASN 59 HA ASN 59 11.460 10.096 -32.890 546 HB2 ASN 59 HB2 ASN 59 12.387 12.568 -31.356 547 HB3 ASN 59 HB1 ASN 59 13.435 11.235 -31.826 548 HD21 ASN 59 HD21 ASN 59 14.020 10.998 -33.988 549 HD22 ASN 59 HD22 ASN 59 13.768 12.243 -35.157 550 H VAL 60 HN VAL 60 10.902 8.371 -31.717 551 HA VAL 60 HA VAL 60 10.812 8.576 -28.766 552 HB VAL 60 HB VAL 60 9.268 6.516 -28.910 553 HG11 VAL 60 HG11 VAL 60 7.223 7.908 -29.110 554 HG12 VAL 60 HG12 VAL 60 8.163 9.200 -29.862 555 HG13 VAL 60 HG13 VAL 60 8.465 8.755 -28.179 556 HG21 VAL 60 HG21 VAL 60 8.849 7.530 -31.752 557 HG22 VAL 60 HG22 VAL 60 7.884 6.293 -30.945 558 HG23 VAL 60 HG23 VAL 60 9.583 5.988 -31.300 559 H LEU 61 HN LEU 61 11.795 7.037 -27.620 560 HA LEU 61 HA LEU 61 13.815 5.404 -29.005 561 HB2 LEU 61 HB2 LEU 61 14.118 7.180 -26.577 562 HB3 LEU 61 HB1 LEU 61 15.295 5.944 -26.987 563 HG LEU 61 HG LEU 61 15.604 7.169 -29.198 564 HD11 LEU 61 HD11 LEU 61 14.059 9.352 -27.822 565 HD12 LEU 61 HD12 LEU 61 13.626 8.511 -29.311 566 HD13 LEU 61 HD13 LEU 61 15.035 9.563 -29.279 567 HD21 LEU 61 HD21 LEU 61 17.148 8.841 -28.237 568 HD22 LEU 61 HD22 LEU 61 17.268 7.297 -27.398 569 HD23 LEU 61 HD23 LEU 61 16.385 8.636 -26.658 570 H LYS 62 HN LYS 62 14.872 3.850 -27.523 571 HA LYS 62 HA LYS 62 13.420 2.724 -25.320 572 HB2 LYS 62 HB2 LYS 62 11.981 1.957 -27.129 573 HB3 LYS 62 HB1 LYS 62 13.357 1.375 -28.041 574 HG2 LYS 62 HG2 LYS 62 12.089 -0.456 -27.115 575 HG3 LYS 62 HG1 LYS 62 13.707 -0.426 -26.430 576 HD2 LYS 62 HD2 LYS 62 11.453 0.890 -24.908 577 HD3 LYS 62 HD1 LYS 62 11.548 -0.869 -24.926 578 HE2 LYS 62 HE2 LYS 62 13.648 1.065 -23.907 579 HE3 LYS 62 HE1 LYS 62 12.690 -0.079 -22.962 580 HZ1 LYS 62 HZ1 LYS 62 14.661 -0.838 -25.053 581 HZ2 LYS 62 HZ2 LYS 62 13.795 -1.894 -24.052 582 HZ3 LYS 62 HZ3 LYS 62 14.952 -0.857 -23.390 583 H ASN 63 HN ASN 63 15.139 2.420 -24.119 584 HA ASN 63 HA ASN 63 17.176 1.977 -23.283 585 HB2 ASN 63 HB2 ASN 63 16.394 -0.387 -24.027 586 HB3 ASN 63 HB1 ASN 63 17.488 -0.206 -25.393 587 HD21 ASN 63 HD21 ASN 63 17.260 -0.632 -21.913 588 HD22 ASN 63 HD22 ASN 63 18.911 -1.063 -21.658 589 H GLY 64 HN GLY 64 16.995 4.050 -25.081 590 HA2 GLY 64 HA2 GLY 64 18.469 5.625 -25.910 591 HA3 GLY 64 HA1 GLY 64 19.741 4.419 -25.950 592 H ARG 65 HN ARG 65 17.494 2.770 -27.510 593 HA ARG 65 HA ARG 65 18.463 3.602 -30.155 594 HB2 ARG 65 HB2 ARG 65 18.592 1.172 -29.353 595 HB3 ARG 65 HB1 ARG 65 16.842 1.112 -29.486 596 HG2 ARG 65 HG2 ARG 65 17.589 0.165 -31.514 597 HG3 ARG 65 HG1 ARG 65 17.175 1.816 -31.959 598 HD2 ARG 65 HD2 ARG 65 19.996 0.850 -31.342 599 HD3 ARG 65 HD1 ARG 65 19.326 1.011 -32.963 600 HE ARG 65 HE ARG 65 19.068 3.464 -32.407 601 HH11 ARG 65 HH11 ARG 65 21.575 1.583 -30.822 602 HH12 ARG 65 HH12 ARG 65 22.656 2.929 -30.668 603 HH21 ARG 65 HH21 ARG 65 20.501 5.227 -32.170 604 HH22 ARG 65 HH22 ARG 65 22.047 4.982 -31.423 605 H GLU 66 HN GLU 66 17.202 4.812 -31.442 606 HA GLU 66 HA GLU 66 14.576 5.582 -30.574 607 HB2 GLU 66 HB2 GLU 66 16.412 7.031 -31.714 608 HB3 GLU 66 HB1 GLU 66 15.815 6.360 -33.225 609 HG2 GLU 66 HG2 GLU 66 13.558 7.288 -32.699 610 HG3 GLU 66 HG1 GLU 66 14.218 7.979 -31.227 611 H VAL 67 HN VAL 67 12.866 4.364 -30.952 612 HA VAL 67 HA VAL 67 12.905 2.133 -32.719 613 HB VAL 67 HB VAL 67 10.599 1.648 -31.864 614 HG11 VAL 67 HG11 VAL 67 11.361 1.109 -29.576 615 HG12 VAL 67 HG12 VAL 67 12.760 2.166 -29.796 616 HG13 VAL 67 HG13 VAL 67 12.579 0.720 -30.794 617 HG21 VAL 67 HG21 VAL 67 9.720 2.973 -29.964 618 HG22 VAL 67 HG22 VAL 67 9.835 3.960 -31.421 619 HG23 VAL 67 HG23 VAL 67 11.043 4.133 -30.147 620 H VAL 68 HN VAL 68 12.208 5.264 -33.540 621 HA VAL 68 HA VAL 68 10.109 4.827 -35.434 622 HB VAL 68 HB VAL 68 10.583 6.982 -36.343 623 HG11 VAL 68 HG11 VAL 68 9.628 7.037 -34.087 624 HG12 VAL 68 HG12 VAL 68 10.685 8.427 -34.331 625 HG13 VAL 68 HG13 VAL 68 11.244 7.052 -33.374 626 HG21 VAL 68 HG21 VAL 68 12.658 8.281 -35.882 627 HG22 VAL 68 HG22 VAL 68 13.001 6.790 -36.759 628 HG23 VAL 68 HG23 VAL 68 13.335 6.889 -35.029 629 H HIS 69 HN HIS 69 13.463 4.010 -35.400 630 HA HIS 69 HA HIS 69 13.742 3.665 -38.296 631 HB2 HIS 69 HB2 HIS 69 15.703 2.881 -36.086 632 HB3 HIS 69 HB1 HIS 69 16.059 3.024 -37.809 633 HD1 HIS 69 HD1 HIS 69 15.924 5.544 -38.785 634 HD2 HIS 69 HD2 HIS 69 16.101 5.180 -34.654 635 HE1 HIS 69 HE1 HIS 69 16.462 7.837 -37.927 636 HE2 HIS 69 HE2 HIS 69 16.452 7.621 -35.420 637 H LEU 70 HN LEU 70 12.750 1.850 -35.564 638 HA LEU 70 HA LEU 70 12.620 -0.669 -37.093 639 HB2 LEU 70 HB2 LEU 70 13.095 -1.916 -34.950 640 HB3 LEU 70 HB1 LEU 70 14.471 -1.068 -35.624 641 HG LEU 70 HG LEU 70 12.881 0.257 -33.400 642 HD11 LEU 70 HD11 LEU 70 13.322 -2.002 -32.545 643 HD12 LEU 70 HD12 LEU 70 14.282 -0.800 -31.687 644 HD13 LEU 70 HD13 LEU 70 15.040 -1.820 -32.915 645 HD21 LEU 70 HD21 LEU 70 15.039 1.286 -32.853 646 HD22 LEU 70 HD22 LEU 70 14.631 1.571 -34.542 647 HD23 LEU 70 HD23 LEU 70 15.833 0.347 -34.123 648 H ASP 71 HN ASP 71 11.325 -1.929 -34.630 649 HA ASP 71 HA ASP 71 8.612 -1.234 -35.230 650 HB2 ASP 71 HB2 ASP 71 9.659 -2.940 -32.932 651 HB3 ASP 71 HB1 ASP 71 8.020 -2.930 -33.566 652 H GLY 72 HN GLY 72 7.773 0.672 -34.521 653 HA2 GLY 72 HA2 GLY 72 8.719 2.053 -32.163 654 HA3 GLY 72 HA1 GLY 72 7.454 2.593 -33.245 655 H MET 73 HN MET 73 5.800 0.265 -33.018 656 HA MET 73 HA MET 73 4.428 0.948 -30.566 657 HB2 MET 73 HB2 MET 73 3.601 -0.968 -32.777 658 HB3 MET 73 HB1 MET 73 2.579 -0.451 -31.433 659 HG2 MET 73 HG2 MET 73 3.654 1.239 -33.703 660 HG3 MET 73 HG1 MET 73 1.970 0.863 -33.331 661 HE1 MET 73 HE1 MET 73 1.444 1.483 -30.307 662 HE2 MET 73 HE2 MET 73 0.501 2.196 -31.617 663 HE3 MET 73 HE3 MET 73 1.162 3.224 -30.343 664 H ALA 74 HN ALA 74 6.443 -1.740 -31.628 665 HA ALA 74 HA ALA 74 6.569 -2.808 -28.965 666 HB1 ALA 74 HB1 ALA 74 5.586 -5.025 -29.371 667 HB2 ALA 74 HB2 ALA 74 5.118 -4.537 -31.003 668 HB3 ALA 74 HB3 ALA 74 4.380 -3.757 -29.602 669 H THR 75 HN THR 75 8.793 -2.394 -29.473 670 HA THR 75 HA THR 75 10.158 -4.073 -31.392 671 HB THR 75 HB THR 75 11.192 -1.976 -31.212 672 HG1 THR 75 HG1 THR 75 12.797 -3.528 -31.204 673 HG21 THR 75 HG21 THR 75 11.266 -2.238 -28.194 674 HG22 THR 75 HG22 THR 75 10.182 -1.196 -29.111 675 HG23 THR 75 HG23 THR 75 11.917 -0.894 -29.139 676 H ALA 76 HN ALA 76 10.616 -3.801 -27.814 677 HA ALA 76 HA ALA 76 11.002 -6.535 -27.268 678 HB1 ALA 76 HB1 ALA 76 13.577 -4.998 -27.849 679 HB2 ALA 76 HB2 ALA 76 12.936 -6.341 -28.795 680 HB3 ALA 76 HB3 ALA 76 13.495 -6.616 -27.144 681 H LEU 77 HN LEU 77 9.795 -4.219 -26.036 682 HA LEU 77 HA LEU 77 11.479 -3.110 -23.987 683 HB2 LEU 77 HB2 LEU 77 9.649 -1.762 -24.830 684 HB3 LEU 77 HB1 LEU 77 8.492 -3.020 -24.448 685 HG LEU 77 HG LEU 77 8.828 -2.638 -22.030 686 HD11 LEU 77 HD11 LEU 77 10.652 -0.366 -22.820 687 HD12 LEU 77 HD12 LEU 77 11.132 -1.856 -22.007 688 HD13 LEU 77 HD13 LEU 77 10.070 -0.712 -21.194 689 HD21 LEU 77 HD21 LEU 77 7.038 -1.442 -23.177 690 HD22 LEU 77 HD22 LEU 77 8.135 -0.105 -23.529 691 HD23 LEU 77 HD23 LEU 77 7.700 -0.480 -21.865 692 H ASP 78 HN ASP 78 11.946 -3.993 -22.051 693 HA ASP 78 HA ASP 78 10.336 -6.280 -21.027 694 HB2 ASP 78 HB2 ASP 78 12.758 -6.653 -21.976 695 HB3 ASP 78 HB1 ASP 78 13.316 -5.848 -20.519 696 H ASP 79 HN ASP 79 10.929 -6.538 -18.509 697 HA ASP 79 HA ASP 79 10.073 -4.174 -17.132 698 HB2 ASP 79 HB2 ASP 79 9.347 -6.239 -16.191 699 HB3 ASP 79 HB1 ASP 79 10.952 -6.943 -16.265 700 H GLY 80 HN GLY 80 11.187 -2.899 -15.633 701 HA2 GLY 80 HA2 GLY 80 12.932 -1.771 -14.662 702 HA3 GLY 80 HA1 GLY 80 13.958 -3.160 -14.972 703 H ASP 81 HN ASP 81 12.406 -1.918 -17.752 704 HA ASP 81 HA ASP 81 14.978 -1.192 -18.897 705 HB2 ASP 81 HB2 ASP 81 12.640 -2.390 -19.932 706 HB3 ASP 81 HB1 ASP 81 12.603 -0.789 -20.630 707 H ALA 82 HN ALA 82 14.781 0.772 -20.577 708 HA ALA 82 HA ALA 82 13.593 3.133 -19.217 709 HB1 ALA 82 HB1 ALA 82 15.664 4.400 -19.654 710 HB2 ALA 82 HB2 ALA 82 16.417 2.956 -20.339 711 HB3 ALA 82 HB3 ALA 82 15.977 2.996 -18.631 712 H VAL 83 HN VAL 83 12.066 3.780 -20.620 713 HA VAL 83 HA VAL 83 12.576 3.948 -23.527 714 HB VAL 83 HB VAL 83 10.015 4.515 -21.960 715 HG11 VAL 83 HG11 VAL 83 8.831 4.403 -24.121 716 HG12 VAL 83 HG12 VAL 83 10.370 4.193 -24.960 717 HG13 VAL 83 HG13 VAL 83 10.027 5.701 -24.109 718 HG21 VAL 83 HG21 VAL 83 10.740 1.993 -23.498 719 HG22 VAL 83 HG22 VAL 83 9.168 2.333 -22.770 720 HG23 VAL 83 HG23 VAL 83 10.590 2.142 -21.743 721 H SER 84 HN SER 84 12.857 5.949 -24.506 722 HA SER 84 HA SER 84 12.453 8.425 -22.892 723 HB2 SER 84 HB2 SER 84 14.611 7.790 -24.953 724 HB3 SER 84 HB1 SER 84 14.327 9.395 -24.294 725 HG SER 84 HG SER 84 14.532 7.535 -22.328 726 H VAL 85 HN VAL 85 11.655 10.281 -24.175 727 HA VAL 85 HA VAL 85 10.735 9.741 -26.895 728 HB VAL 85 HB VAL 85 8.453 10.522 -26.571 729 HG11 VAL 85 HG11 VAL 85 7.443 8.691 -25.260 730 HG12 VAL 85 HG12 VAL 85 9.015 8.324 -24.546 731 HG13 VAL 85 HG13 VAL 85 8.762 8.095 -26.276 732 HG21 VAL 85 HG21 VAL 85 9.124 10.829 -23.627 733 HG22 VAL 85 HG22 VAL 85 7.510 10.996 -24.322 734 HG23 VAL 85 HG23 VAL 85 8.783 12.132 -24.771 735 H PHE 86 HN PHE 86 10.484 11.516 -28.126 736 HA PHE 86 HA PHE 86 10.897 14.248 -27.074 737 HB2 PHE 86 HB2 PHE 86 12.111 13.136 -29.677 738 HB3 PHE 86 HB1 PHE 86 12.201 14.805 -29.132 739 HD1 PHE 86 HD2 PHE 86 13.180 11.340 -28.046 740 HD2 PHE 86 HD1 PHE 86 14.193 15.494 -28.050 741 HE1 PHE 86 HE2 PHE 86 15.344 10.822 -27.010 742 HE2 PHE 86 HE1 PHE 86 16.370 14.954 -27.020 743 HZ PHE 86 HZ PHE 86 16.940 12.598 -26.513 744 HA PRO 87 HA PRO 87 7.057 14.690 -29.530 745 HB2 PRO 87 HB2 PRO 87 7.053 17.428 -29.828 746 HB3 PRO 87 HB1 PRO 87 6.666 16.634 -28.294 747 HG2 PRO 87 HG2 PRO 87 9.298 17.787 -29.210 748 HG3 PRO 87 HG1 PRO 87 8.442 18.034 -27.672 749 HD2 PRO 87 HD2 PRO 87 10.454 16.285 -27.829 750 HD3 PRO 87 HD1 PRO 87 9.014 15.922 -26.849 751 HA PRO 88 HA PRO 88 8.203 14.968 -33.845 752 HB2 PRO 88 HB2 PRO 88 6.137 16.382 -35.023 753 HB3 PRO 88 HB1 PRO 88 6.015 14.684 -34.537 754 HG2 PRO 88 HG2 PRO 88 5.064 17.149 -33.089 755 HG3 PRO 88 HG1 PRO 88 4.246 15.587 -33.308 756 HD2 PRO 88 HD2 PRO 88 5.525 16.235 -30.991 757 HD3 PRO 88 HD1 PRO 88 5.467 14.563 -31.604 758 H VAL 89 HN VAL 89 9.625 16.199 -34.894 759 HA VAL 89 HA VAL 89 10.362 18.739 -33.736 760 HB VAL 89 HB VAL 89 12.369 18.574 -35.235 761 HG11 VAL 89 HG11 VAL 89 12.425 17.616 -32.972 762 HG12 VAL 89 HG12 VAL 89 13.377 16.620 -34.072 763 HG13 VAL 89 HG13 VAL 89 11.768 16.091 -33.570 764 HG21 VAL 89 HG21 VAL 89 11.371 17.366 -37.154 765 HG22 VAL 89 HG22 VAL 89 11.129 15.932 -36.153 766 HG23 VAL 89 HG23 VAL 89 12.765 16.477 -36.533 767 H ALA 90 HN ALA 90 8.949 17.627 -36.742 768 HA ALA 90 HA ALA 90 7.740 20.066 -37.447 769 HB1 ALA 90 HB1 ALA 90 10.028 20.786 -38.071 770 HB2 ALA 90 HB2 ALA 90 8.995 20.656 -39.493 771 HB3 ALA 90 HB3 ALA 90 10.186 19.396 -39.145 772 H GLY 91 HN GLY 91 6.022 19.510 -38.737 773 HA2 GLY 91 HA2 GLY 91 5.780 16.738 -39.640 774 HA3 GLY 91 HA1 GLY 91 4.502 17.940 -39.550 775 H GLY 92 HN GLY 92 7.655 17.880 -41.244 776 HA2 GLY 92 HA2 GLY 92 6.382 18.885 -43.711 777 HA3 GLY 92 HA1 GLY 92 8.094 18.956 -43.304 Start of MODEL 20 1 H1 GLY -13 HT1 GLY -13 -0.320 -2.972 0.586 2 H2 GLY -13 HT2 GLY -13 0.435 -1.478 0.810 3 H3 GLY -13 HT3 GLY -13 1.119 -2.880 1.470 4 HA2 GLY -13 HA1 GLY -13 2.315 -2.180 -0.513 5 HA3 GLY -13 HA2 GLY -13 1.567 -3.761 -0.704 6 H GLY -12 HN GLY -12 2.111 -0.956 -2.309 7 HA2 GLY -12 HA2 GLY -12 -0.437 -0.600 -3.677 8 HA3 GLY -12 HA1 GLY -12 1.078 0.230 -4.012 9 H GLY -11 HN GLY -11 -0.290 -3.073 -4.193 10 HA2 GLY -11 HA2 GLY -11 1.493 -3.892 -6.338 11 HA3 GLY -11 HA1 GLY -11 0.233 -4.851 -5.570 12 H ARG -10 HN ARG -10 0.620 -2.039 -7.728 13 HA ARG -10 HA ARG -10 -1.900 -2.470 -9.056 14 HB2 ARG -10 HB2 ARG -10 0.395 -0.553 -9.592 15 HB3 ARG -10 HB1 ARG -10 -1.003 -0.668 -10.654 16 HG2 ARG -10 HG2 ARG -10 -1.248 -0.027 -7.696 17 HG3 ARG -10 HG1 ARG -10 -1.036 1.215 -8.931 18 HD2 ARG -10 HD2 ARG -10 -3.405 1.016 -8.382 19 HD3 ARG -10 HD1 ARG -10 -3.143 0.452 -10.033 20 HE ARG -10 HE ARG -10 -3.415 -1.420 -7.746 21 HH11 ARG -10 HH11 ARG -10 -4.482 -0.401 -10.950 22 HH12 ARG -10 HH12 ARG -10 -5.462 -1.813 -11.188 23 HH21 ARG -10 HH21 ARG -10 -4.682 -3.256 -8.104 24 HH22 ARG -10 HH22 ARG -10 -5.579 -3.421 -9.575 25 H ASP -9 HN ASP -9 -1.580 -4.668 -9.586 26 HA ASP -9 HA ASP -9 0.074 -5.348 -11.880 27 HB2 ASP -9 HB2 ASP -9 -1.011 -7.544 -11.736 28 HB3 ASP -9 HB1 ASP -9 -0.450 -7.053 -10.147 29 H TYR -8 HN TYR -8 -1.248 -6.490 -13.746 30 HA TYR -8 HA TYR -8 -3.399 -4.632 -14.607 31 HB2 TYR -8 HB2 TYR -8 -0.921 -5.521 -16.121 32 HB3 TYR -8 HB1 TYR -8 -2.324 -4.846 -16.933 33 HD1 TYR -8 HD2 TYR -8 0.402 -4.065 -14.503 34 HD2 TYR -8 HD1 TYR -8 -2.773 -2.475 -16.889 35 HE1 TYR -8 HE2 TYR -8 1.191 -1.773 -14.050 36 HE2 TYR -8 HE1 TYR -8 -1.987 -0.200 -16.432 37 HH TYR -8 HH TYR -8 0.979 0.540 -15.301 38 H LYS -7 HN LYS -7 -3.689 -7.247 -13.467 39 HA LYS -7 HA LYS -7 -5.227 -8.483 -15.672 40 HB2 LYS -7 HB2 LYS -7 -4.812 -10.743 -14.480 41 HB3 LYS -7 HB1 LYS -7 -3.507 -10.096 -15.460 42 HG2 LYS -7 HG2 LYS -7 -3.534 -9.547 -12.496 43 HG3 LYS -7 HG1 LYS -7 -3.024 -11.139 -13.068 44 HD2 LYS -7 HD2 LYS -7 -1.785 -8.490 -13.926 45 HD3 LYS -7 HD1 LYS -7 -1.144 -9.531 -12.651 46 HE2 LYS -7 HE2 LYS -7 -0.801 -11.341 -14.305 47 HE3 LYS -7 HE1 LYS -7 -1.441 -10.300 -15.581 48 HZ1 LYS -7 HZ1 LYS -7 0.992 -10.376 -15.451 49 HZ2 LYS -7 HZ2 LYS -7 0.923 -9.640 -13.937 50 HZ3 LYS -7 HZ3 LYS -7 0.362 -8.819 -15.302 51 H ASP -6 HN ASP -6 -4.842 -8.809 -12.139 52 HA ASP -6 HA ASP -6 -7.203 -7.821 -11.167 53 HB2 ASP -6 HB2 ASP -6 -8.477 -9.473 -12.496 54 HB3 ASP -6 HB1 ASP -6 -7.486 -10.791 -11.877 55 H ASP -5 HN ASP -5 -5.411 -10.840 -11.054 56 HA ASP -5 HA ASP -5 -3.915 -10.368 -8.686 57 HB2 ASP -5 HB2 ASP -5 -6.228 -10.744 -7.682 58 HB3 ASP -5 HB1 ASP -5 -6.249 -12.346 -8.414 59 H ASP -4 HN ASP -4 -3.140 -12.939 -8.031 60 HA ASP -4 HA ASP -4 -1.928 -14.732 -8.625 61 HB2 ASP -4 HB2 ASP -4 -3.831 -15.658 -9.823 62 HB3 ASP -4 HB1 ASP -4 -3.540 -14.613 -11.205 63 H ASP -3 HN ASP -3 -0.191 -13.363 -8.390 64 HA ASP -3 HA ASP -3 1.804 -12.479 -8.831 65 HB2 ASP -3 HB2 ASP -3 2.121 -14.484 -10.287 66 HB3 ASP -3 HB1 ASP -3 1.517 -13.571 -11.662 67 H LYS -2 HN LYS -2 2.610 -10.488 -9.299 68 HA LYS -2 HA LYS -2 0.927 -8.430 -10.221 69 HB2 LYS -2 HB2 LYS -2 2.783 -6.910 -9.929 70 HB3 LYS -2 HB1 LYS -2 2.818 -8.081 -8.620 71 HG2 LYS -2 HG2 LYS -2 4.625 -8.150 -11.064 72 HG3 LYS -2 HG1 LYS -2 5.072 -7.484 -9.494 73 HD2 LYS -2 HD2 LYS -2 4.875 -9.706 -8.463 74 HD3 LYS -2 HD1 LYS -2 4.307 -10.394 -9.990 75 HE2 LYS -2 HE2 LYS -2 6.635 -10.960 -9.747 76 HE3 LYS -2 HE1 LYS -2 6.512 -9.739 -11.017 77 HZ1 LYS -2 HZ1 LYS -2 7.244 -9.174 -8.191 78 HZ2 LYS -2 HZ2 LYS -2 7.234 -8.070 -9.476 79 HZ3 LYS -2 HZ3 LYS -2 8.342 -9.343 -9.463 80 H GLY -1 HN GLY -1 3.568 -10.166 -11.849 81 HA2 GLY -1 HA2 GLY -1 4.416 -10.136 -13.969 82 HA3 GLY -1 HA1 GLY -1 2.730 -10.107 -14.436 83 H THR 0 HN THR 0 4.896 -7.730 -12.970 84 HA THR 0 HA THR 0 4.148 -5.725 -15.028 85 HB THR 0 HB THR 0 4.628 -4.057 -13.141 86 HG1 THR 0 HG1 THR 0 4.632 -4.825 -11.040 87 HG21 THR 0 HG21 THR 0 2.411 -4.257 -12.104 88 HG22 THR 0 HG22 THR 0 2.261 -5.905 -12.717 89 HG23 THR 0 HG23 THR 0 2.313 -4.545 -13.844 90 H MET 1 HN MET 1 5.783 -3.890 -15.055 91 HA MET 1 HA MET 1 8.538 -4.590 -14.534 92 HB2 MET 1 HB2 MET 1 9.281 -4.262 -16.869 93 HB3 MET 1 HB1 MET 1 8.241 -5.655 -16.701 94 HG2 MET 1 HG2 MET 1 6.393 -4.407 -17.716 95 HG3 MET 1 HG1 MET 1 7.434 -2.982 -17.864 96 HE1 MET 1 HE1 MET 1 7.221 -2.731 -20.512 97 HE2 MET 1 HE2 MET 1 6.006 -4.011 -20.458 98 HE3 MET 1 HE3 MET 1 7.331 -4.101 -21.620 99 H GLU 2 HN GLU 2 9.575 -2.850 -13.849 100 HA GLU 2 HA GLU 2 8.222 -0.267 -13.778 101 HB2 GLU 2 HB2 GLU 2 9.430 -1.467 -11.801 102 HB3 GLU 2 HB1 GLU 2 10.923 -0.930 -12.543 103 HG2 GLU 2 HG2 GLU 2 10.534 0.712 -10.933 104 HG3 GLU 2 HG1 GLU 2 9.896 1.454 -12.403 105 H LEU 3 HN LEU 3 8.608 1.212 -15.355 106 HA LEU 3 HA LEU 3 11.070 0.999 -17.000 107 HB2 LEU 3 HB2 LEU 3 8.376 2.081 -17.911 108 HB3 LEU 3 HB1 LEU 3 9.769 1.655 -18.904 109 HG LEU 3 HG LEU 3 7.998 -0.304 -17.398 110 HD11 LEU 3 HD11 LEU 3 6.870 0.661 -19.314 111 HD12 LEU 3 HD12 LEU 3 7.268 -1.025 -19.621 112 HD13 LEU 3 HD13 LEU 3 8.233 0.256 -20.361 113 HD21 LEU 3 HD21 LEU 3 10.269 -1.149 -17.451 114 HD22 LEU 3 HD22 LEU 3 10.391 -0.840 -19.182 115 HD23 LEU 3 HD23 LEU 3 9.275 -2.069 -18.578 116 H GLU 4 HN GLU 4 12.275 2.816 -17.241 117 HA GLU 4 HA GLU 4 11.498 5.293 -15.944 118 HB2 GLU 4 HB2 GLU 4 13.792 4.451 -15.586 119 HB3 GLU 4 HB1 GLU 4 14.095 4.491 -17.311 120 HG2 GLU 4 HG2 GLU 4 13.889 6.946 -17.295 121 HG3 GLU 4 HG1 GLU 4 13.538 6.905 -15.566 122 H LEU 5 HN LEU 5 10.107 6.451 -17.169 123 HA LEU 5 HA LEU 5 10.467 6.592 -20.079 124 HB2 LEU 5 HB2 LEU 5 8.228 7.804 -18.436 125 HB3 LEU 5 HB1 LEU 5 8.277 7.560 -20.179 126 HG LEU 5 HG LEU 5 8.062 5.402 -18.044 127 HD11 LEU 5 HD11 LEU 5 5.857 4.996 -19.012 128 HD12 LEU 5 HD12 LEU 5 6.088 6.333 -20.142 129 HD13 LEU 5 HD13 LEU 5 6.008 6.643 -18.404 130 HD21 LEU 5 HD21 LEU 5 7.861 3.769 -19.877 131 HD22 LEU 5 HD22 LEU 5 9.441 4.545 -19.879 132 HD23 LEU 5 HD23 LEU 5 8.220 5.031 -21.061 133 H ARG 6 HN ARG 6 11.938 7.990 -20.617 134 HA ARG 6 HA ARG 6 12.362 10.492 -19.170 135 HB2 ARG 6 HB2 ARG 6 13.912 9.237 -21.482 136 HB3 ARG 6 HB1 ARG 6 14.402 10.652 -20.548 137 HG2 ARG 6 HG2 ARG 6 14.670 9.287 -18.536 138 HG3 ARG 6 HG1 ARG 6 14.057 7.859 -19.383 139 HD2 ARG 6 HD2 ARG 6 15.989 7.869 -20.862 140 HD3 ARG 6 HD1 ARG 6 16.577 9.378 -20.150 141 HE ARG 6 HE ARG 6 16.355 6.842 -18.621 142 HH11 ARG 6 HH11 ARG 6 18.180 9.751 -19.417 143 HH12 ARG 6 HH12 ARG 6 19.533 9.300 -18.431 144 HH21 ARG 6 HH21 ARG 6 18.118 6.279 -17.359 145 HH22 ARG 6 HH22 ARG 6 19.505 7.315 -17.274 146 H PHE 7 HN PHE 7 11.243 12.200 -19.815 147 HA PHE 7 HA PHE 7 10.206 12.445 -22.573 148 HB2 PHE 7 HB2 PHE 7 9.359 13.828 -19.976 149 HB3 PHE 7 HB1 PHE 7 8.677 14.184 -21.562 150 HD1 PHE 7 HD2 PHE 7 8.915 11.626 -18.898 151 HD2 PHE 7 HD1 PHE 7 7.083 12.681 -22.609 152 HE1 PHE 7 HE2 PHE 7 7.293 9.807 -18.638 153 HE2 PHE 7 HE1 PHE 7 5.448 10.871 -22.314 154 HZ PHE 7 HZ PHE 7 5.562 9.425 -20.330 155 H PHE 8 HN PHE 8 10.870 14.072 -23.857 156 HA PHE 8 HA PHE 8 12.549 16.238 -22.732 157 HB2 PHE 8 HB2 PHE 8 13.060 14.780 -25.369 158 HB3 PHE 8 HB1 PHE 8 14.012 16.114 -24.718 159 HD1 PHE 8 HD1 PHE 8 15.286 15.758 -22.516 160 HD2 PHE 8 HD2 PHE 8 13.535 12.528 -24.707 161 HE1 PHE 8 HE1 PHE 8 16.657 14.147 -21.253 162 HE2 PHE 8 HE2 PHE 8 14.905 10.938 -23.454 163 HZ PHE 8 HZ PHE 8 16.462 11.732 -21.706 164 H ALA 9 HN ALA 9 12.601 18.165 -24.058 165 HA ALA 9 HA ALA 9 11.702 19.902 -25.143 166 HB1 ALA 9 HB1 ALA 9 12.195 18.553 -27.087 167 HB2 ALA 9 HB2 ALA 9 10.699 19.453 -27.360 168 HB3 ALA 9 HB3 ALA 9 10.639 17.738 -26.951 169 H THR 10 HN THR 10 8.880 19.368 -26.630 170 HA THR 10 HA THR 10 7.171 20.667 -24.873 171 HB THR 10 HB THR 10 6.418 18.713 -27.100 172 HG1 THR 10 HG1 THR 10 6.892 20.287 -28.454 173 HG21 THR 10 HG21 THR 10 4.447 19.235 -25.718 174 HG22 THR 10 HG22 THR 10 4.319 20.022 -27.292 175 HG23 THR 10 HG23 THR 10 4.778 20.964 -25.872 176 H PHE 11 HN PHE 11 7.579 17.137 -25.373 177 HA PHE 11 HA PHE 11 5.428 16.268 -23.718 178 HB2 PHE 11 HB2 PHE 11 7.957 14.884 -24.672 179 HB3 PHE 11 HB1 PHE 11 6.820 14.067 -23.622 180 HD1 PHE 11 HD1 PHE 11 4.947 16.131 -25.844 181 HD2 PHE 11 HD2 PHE 11 7.120 12.448 -25.692 182 HE1 PHE 11 HE1 PHE 11 3.696 15.289 -27.784 183 HE2 PHE 11 HE2 PHE 11 5.853 11.625 -27.633 184 HZ PHE 11 HZ PHE 11 4.132 13.039 -28.672 185 H ARG 12 HN ARG 12 8.812 17.101 -22.995 186 HA ARG 12 HA ARG 12 8.905 16.167 -20.314 187 HB2 ARG 12 HB2 ARG 12 10.914 16.807 -21.635 188 HB3 ARG 12 HB1 ARG 12 10.450 18.484 -21.520 189 HG2 ARG 12 HG2 ARG 12 10.668 17.199 -18.874 190 HG3 ARG 12 HG1 ARG 12 12.163 17.084 -19.792 191 HD2 ARG 12 HD2 ARG 12 12.367 19.048 -18.489 192 HD3 ARG 12 HD1 ARG 12 11.999 19.615 -20.118 193 HE ARG 12 HE ARG 12 9.666 19.333 -18.454 194 HH11 ARG 12 HH11 ARG 12 12.274 21.527 -19.274 195 HH12 ARG 12 HH12 ARG 12 11.402 22.944 -18.794 196 HH21 ARG 12 HH21 ARG 12 8.525 21.190 -17.823 197 HH22 ARG 12 HH22 ARG 12 9.258 22.749 -17.983 198 H GLU 13 HN GLU 13 7.975 19.217 -21.785 199 HA GLU 13 HA GLU 13 7.557 20.686 -19.388 200 HB2 GLU 13 HB2 GLU 13 7.985 21.732 -21.598 201 HB3 GLU 13 HB1 GLU 13 6.436 21.145 -22.182 202 HG2 GLU 13 HG2 GLU 13 6.323 23.511 -21.621 203 HG3 GLU 13 HG1 GLU 13 5.256 22.559 -20.587 204 H VAL 14 HN VAL 14 5.462 18.708 -21.419 205 HA VAL 14 HA VAL 14 2.975 19.170 -20.188 206 HB VAL 14 HB VAL 14 4.056 16.675 -21.562 207 HG11 VAL 14 HG11 VAL 14 2.250 15.984 -20.086 208 HG12 VAL 14 HG12 VAL 14 1.698 15.931 -21.760 209 HG13 VAL 14 HG13 VAL 14 1.202 17.263 -20.713 210 HG21 VAL 14 HG21 VAL 14 2.718 17.426 -23.495 211 HG22 VAL 14 HG22 VAL 14 3.909 18.644 -23.036 212 HG23 VAL 14 HG23 VAL 14 2.212 18.862 -22.598 213 H VAL 15 HN VAL 15 5.358 16.602 -19.597 214 HA VAL 15 HA VAL 15 3.926 15.484 -17.358 215 HB VAL 15 HB VAL 15 6.729 14.877 -18.444 216 HG11 VAL 15 HG11 VAL 15 5.033 13.219 -16.527 217 HG12 VAL 15 HG12 VAL 15 6.530 14.059 -16.122 218 HG13 VAL 15 HG13 VAL 15 6.562 12.708 -17.253 219 HG21 VAL 15 HG21 VAL 15 5.637 12.960 -19.572 220 HG22 VAL 15 HG22 VAL 15 4.946 14.491 -20.107 221 HG23 VAL 15 HG23 VAL 15 4.067 13.483 -18.953 222 H GLY 16 HN GLY 16 6.161 18.039 -17.761 223 HA2 GLY 16 HA2 GLY 16 7.010 19.601 -16.322 224 HA3 GLY 16 HA1 GLY 16 6.096 18.846 -15.026 225 H GLN 17 HN GLN 17 8.179 16.718 -16.707 226 HA GLN 17 HA GLN 17 10.543 17.026 -15.142 227 HB2 GLN 17 HB2 GLN 17 10.232 14.667 -14.014 228 HB3 GLN 17 HB1 GLN 17 9.497 16.083 -13.278 229 HG2 GLN 17 HG2 GLN 17 7.345 15.448 -14.465 230 HG3 GLN 17 HG1 GLN 17 8.122 13.924 -14.887 231 HE21 GLN 17 HE21 GLN 17 6.442 12.852 -13.692 232 HE22 GLN 17 HE22 GLN 17 6.482 12.782 -11.968 233 H LYS 18 HN LYS 18 12.241 15.680 -15.822 234 HA LYS 18 HA LYS 18 11.956 15.129 -18.663 235 HB2 LYS 18 HB2 LYS 18 14.397 15.207 -18.740 236 HB3 LYS 18 HB1 LYS 18 13.750 16.615 -17.907 237 HG2 LYS 18 HG2 LYS 18 14.382 15.686 -15.737 238 HG3 LYS 18 HG1 LYS 18 14.919 14.182 -16.494 239 HD2 LYS 18 HD2 LYS 18 16.151 16.940 -16.926 240 HD3 LYS 18 HD1 LYS 18 16.830 15.653 -15.923 241 HE2 LYS 18 HE2 LYS 18 17.102 14.228 -17.915 242 HE3 LYS 18 HE1 LYS 18 16.377 15.478 -18.928 243 HZ1 LYS 18 HZ1 LYS 18 18.914 15.704 -17.414 244 HZ2 LYS 18 HZ2 LYS 18 18.218 16.933 -18.338 245 HZ3 LYS 18 HZ3 LYS 18 18.754 15.520 -19.087 246 H SER 19 HN SER 19 12.412 13.260 -15.775 247 HA SER 19 HA SER 19 12.249 10.796 -17.342 248 HB2 SER 19 HB2 SER 19 14.413 10.976 -15.192 249 HB3 SER 19 HB1 SER 19 14.176 9.717 -16.400 250 HG SER 19 HG SER 19 14.586 11.618 -17.935 251 H ILE 20 HN ILE 20 10.933 9.401 -16.309 252 HA ILE 20 HA ILE 20 10.352 9.663 -13.410 253 HB ILE 20 HB ILE 20 7.974 9.246 -13.810 254 HG12 ILE 20 HG12 ILE 20 8.698 9.080 -16.773 255 HG13 ILE 20 HG11 ILE 20 8.133 7.748 -15.765 256 HG21 ILE 20 HG21 ILE 20 8.670 11.607 -13.946 257 HG22 ILE 20 HG22 ILE 20 7.290 11.299 -14.998 258 HG23 ILE 20 HG23 ILE 20 8.910 11.446 -15.689 259 HD11 ILE 20 HD11 ILE 20 6.534 10.159 -16.613 260 HD12 ILE 20 HD12 ILE 20 5.957 8.900 -15.518 261 HD13 ILE 20 HD13 ILE 20 6.358 8.503 -17.189 262 H TYR 21 HN TYR 21 9.389 7.552 -12.540 263 HA TYR 21 HA TYR 21 9.911 5.232 -14.318 264 HB2 TYR 21 HB2 TYR 21 10.192 5.498 -11.311 265 HB3 TYR 21 HB1 TYR 21 9.729 3.941 -11.984 266 HD1 TYR 21 HD2 TYR 21 11.306 2.667 -13.460 267 HD2 TYR 21 HD1 TYR 21 12.501 6.340 -11.609 268 HE1 TYR 21 HE2 TYR 21 13.655 2.108 -13.867 269 HE2 TYR 21 HE1 TYR 21 14.856 5.773 -12.031 270 HH TYR 21 HH TYR 21 15.809 3.282 -14.115 271 H TRP 22 HN TRP 22 8.072 4.848 -15.281 272 HA TRP 22 HA TRP 22 5.526 4.559 -13.885 273 HB2 TRP 22 HB2 TRP 22 6.453 4.650 -16.707 274 HB3 TRP 22 HB1 TRP 22 5.276 3.378 -16.442 275 HD1 TRP 22 HD1 TRP 22 5.204 7.003 -14.995 276 HE1 TRP 22 HE1 TRP 22 3.039 8.111 -15.821 277 HE3 TRP 22 HE3 TRP 22 3.414 3.197 -17.867 278 HZ2 TRP 22 HZ2 TRP 22 0.850 7.461 -17.499 279 HZ3 TRP 22 HZ3 TRP 22 1.270 3.503 -19.035 280 HH2 TRP 22 HH2 TRP 22 0.020 5.586 -18.842 281 H ARG 23 HN ARG 23 4.426 2.392 -14.569 282 HA ARG 23 HA ARG 23 6.132 0.056 -14.810 283 HB2 ARG 23 HB2 ARG 23 6.147 0.419 -12.377 284 HB3 ARG 23 HB1 ARG 23 4.398 0.543 -12.344 285 HG2 ARG 23 HG2 ARG 23 4.263 -1.845 -13.085 286 HG3 ARG 23 HG1 ARG 23 6.022 -1.941 -12.987 287 HD2 ARG 23 HD2 ARG 23 4.961 -2.872 -10.978 288 HD3 ARG 23 HD1 ARG 23 5.919 -1.442 -10.577 289 HE ARG 23 HE ARG 23 3.169 -0.798 -11.073 290 HH11 ARG 23 HH11 ARG 23 5.300 -2.062 -8.605 291 HH12 ARG 23 HH12 ARG 23 4.319 -1.501 -7.293 292 HH21 ARG 23 HH21 ARG 23 1.890 -0.053 -9.349 293 HH22 ARG 23 HH22 ARG 23 2.387 -0.360 -7.713 294 H VAL 24 HN VAL 24 5.150 -0.893 -16.468 295 HA VAL 24 HA VAL 24 2.183 -1.134 -16.530 296 HB VAL 24 HB VAL 24 2.302 -1.440 -18.961 297 HG11 VAL 24 HG11 VAL 24 2.054 0.871 -18.167 298 HG12 VAL 24 HG12 VAL 24 2.966 0.835 -19.678 299 HG13 VAL 24 HG13 VAL 24 3.808 1.071 -18.144 300 HG21 VAL 24 HG21 VAL 24 4.479 -2.544 -19.181 301 HG22 VAL 24 HG22 VAL 24 5.311 -1.056 -18.730 302 HG23 VAL 24 HG23 VAL 24 4.415 -1.139 -20.250 303 H ASP 25 HN ASP 25 1.694 -3.256 -17.974 304 HA ASP 25 HA ASP 25 2.578 -5.497 -16.461 305 HB2 ASP 25 HB2 ASP 25 0.344 -5.190 -17.714 306 HB3 ASP 25 HB1 ASP 25 1.207 -5.608 -19.185 307 H ASP 26 HN ASP 26 3.712 -7.420 -17.352 308 HA ASP 26 HA ASP 26 6.188 -6.638 -18.623 309 HB2 ASP 26 HB2 ASP 26 6.198 -8.168 -16.719 310 HB3 ASP 26 HB1 ASP 26 5.192 -9.322 -17.584 311 H ASP 27 HN ASP 27 3.251 -8.221 -19.608 312 HA ASP 27 HA ASP 27 4.220 -9.160 -22.180 313 HB2 ASP 27 HB2 ASP 27 2.421 -10.403 -21.084 314 HB3 ASP 27 HB1 ASP 27 1.426 -8.960 -20.972 315 H ALA 28 HN ALA 28 3.182 -6.162 -20.884 316 HA ALA 28 HA ALA 28 2.114 -4.936 -23.256 317 HB1 ALA 28 HB1 ALA 28 1.593 -4.109 -20.990 318 HB2 ALA 28 HB2 ALA 28 2.302 -2.839 -21.991 319 HB3 ALA 28 HB3 ALA 28 3.282 -3.648 -20.765 320 H THR 29 HN THR 29 3.229 -2.962 -24.223 321 HA THR 29 HA THR 29 6.151 -3.319 -24.585 322 HB THR 29 HB THR 29 5.911 -2.962 -27.009 323 HG1 THR 29 HG1 THR 29 3.779 -2.903 -27.921 324 HG21 THR 29 HG21 THR 29 4.117 -5.244 -26.065 325 HG22 THR 29 HG22 THR 29 5.864 -5.322 -26.303 326 HG23 THR 29 HG23 THR 29 4.795 -5.082 -27.684 327 H VAL 30 HN VAL 30 6.885 -1.377 -26.125 328 HA VAL 30 HA VAL 30 6.687 1.080 -24.824 329 HB VAL 30 HB VAL 30 8.605 0.626 -26.186 330 HG11 VAL 30 HG11 VAL 30 8.532 0.385 -28.649 331 HG12 VAL 30 HG12 VAL 30 6.768 0.441 -28.596 332 HG13 VAL 30 HG13 VAL 30 7.632 -0.892 -27.826 333 HG21 VAL 30 HG21 VAL 30 7.059 2.881 -27.535 334 HG22 VAL 30 HG22 VAL 30 8.810 2.655 -27.584 335 HG23 VAL 30 HG23 VAL 30 8.013 3.024 -26.053 336 H GLY 31 HN GLY 31 4.800 -0.196 -27.527 337 HA2 GLY 31 HA2 GLY 31 3.379 2.163 -28.180 338 HA3 GLY 31 HA1 GLY 31 2.918 0.518 -28.594 339 H ASP 32 HN ASP 32 2.664 -0.553 -26.006 340 HA ASP 32 HA ASP 32 0.071 0.273 -25.194 341 HB2 ASP 32 HB2 ASP 32 0.924 -2.047 -24.863 342 HB3 ASP 32 HB1 ASP 32 2.083 -1.460 -23.678 343 H VAL 33 HN VAL 33 3.310 1.050 -24.084 344 HA VAL 33 HA VAL 33 2.708 2.416 -21.680 345 HB VAL 33 HB VAL 33 5.067 2.556 -23.597 346 HG11 VAL 33 HG11 VAL 33 6.319 3.836 -21.885 347 HG12 VAL 33 HG12 VAL 33 4.841 4.000 -20.933 348 HG13 VAL 33 HG13 VAL 33 4.956 4.757 -22.523 349 HG21 VAL 33 HG21 VAL 33 4.788 1.385 -20.803 350 HG22 VAL 33 HG22 VAL 33 6.254 1.349 -21.792 351 HG23 VAL 33 HG23 VAL 33 4.817 0.466 -22.312 352 H LEU 34 HN LEU 34 3.450 3.845 -24.938 353 HA LEU 34 HA LEU 34 2.640 6.450 -24.115 354 HB2 LEU 34 HB2 LEU 34 2.674 6.992 -26.643 355 HB3 LEU 34 HB1 LEU 34 4.163 6.569 -25.842 356 HG LEU 34 HG LEU 34 3.749 4.172 -26.810 357 HD11 LEU 34 HD11 LEU 34 2.552 4.098 -28.927 358 HD12 LEU 34 HD12 LEU 34 2.007 5.761 -28.694 359 HD13 LEU 34 HD13 LEU 34 1.473 4.489 -27.588 360 HD21 LEU 34 HD21 LEU 34 4.954 4.748 -28.874 361 HD22 LEU 34 HD22 LEU 34 5.611 5.621 -27.492 362 HD23 LEU 34 HD23 LEU 34 4.562 6.455 -28.641 363 H ARG 35 HN ARG 35 0.851 3.800 -25.578 364 HA ARG 35 HA ARG 35 -1.592 5.007 -26.151 365 HB2 ARG 35 HB2 ARG 35 -1.290 2.703 -26.717 366 HB3 ARG 35 HB1 ARG 35 -0.883 2.257 -25.075 367 HG2 ARG 35 HG2 ARG 35 -3.111 1.432 -25.841 368 HG3 ARG 35 HG1 ARG 35 -3.181 2.403 -24.369 369 HD2 ARG 35 HD2 ARG 35 -3.888 4.352 -25.670 370 HD3 ARG 35 HD1 ARG 35 -3.821 3.403 -27.165 371 HE ARG 35 HE ARG 35 -5.713 2.149 -26.432 372 HH11 ARG 35 HH11 ARG 35 -5.010 4.864 -24.294 373 HH12 ARG 35 HH12 ARG 35 -6.631 4.939 -23.685 374 HH21 ARG 35 HH21 ARG 35 -7.827 2.295 -25.633 375 HH22 ARG 35 HH22 ARG 35 -8.220 3.478 -24.429 376 H SER 36 HN SER 36 -0.409 3.795 -23.052 377 HA SER 36 HA SER 36 -2.741 4.542 -21.563 378 HB2 SER 36 HB2 SER 36 -1.357 2.603 -20.966 379 HB3 SER 36 HB1 SER 36 0.004 3.665 -20.670 380 HG SER 36 HG SER 36 -2.194 4.401 -19.239 381 H LEU 37 HN LEU 37 0.372 6.067 -22.273 382 HA LEU 37 HA LEU 37 0.490 7.997 -20.243 383 HB2 LEU 37 HB2 LEU 37 1.828 7.618 -22.857 384 HB3 LEU 37 HB1 LEU 37 1.722 9.298 -22.394 385 HG LEU 37 HG LEU 37 3.855 8.466 -21.694 386 HD11 LEU 37 HD11 LEU 37 2.092 8.729 -19.239 387 HD12 LEU 37 HD12 LEU 37 2.826 10.053 -20.149 388 HD13 LEU 37 HD13 LEU 37 3.850 8.909 -19.289 389 HD21 LEU 37 HD21 LEU 37 4.119 6.607 -20.101 390 HD22 LEU 37 HD22 LEU 37 3.462 6.112 -21.652 391 HD23 LEU 37 HD23 LEU 37 2.399 6.252 -20.255 392 H GLU 38 HN GLU 38 -1.274 8.132 -23.327 393 HA GLU 38 HA GLU 38 -1.969 10.932 -23.026 394 HB2 GLU 38 HB2 GLU 38 -3.449 10.532 -25.004 395 HB3 GLU 38 HB1 GLU 38 -1.772 10.101 -25.250 396 HG2 GLU 38 HG2 GLU 38 -2.797 8.327 -26.294 397 HG3 GLU 38 HG1 GLU 38 -2.585 7.657 -24.682 398 H ALA 39 HN ALA 39 -3.413 7.881 -22.174 399 HA ALA 39 HA ALA 39 -6.041 8.754 -21.547 400 HB1 ALA 39 HB1 ALA 39 -6.204 6.624 -20.294 401 HB2 ALA 39 HB2 ALA 39 -4.452 6.407 -20.424 402 HB3 ALA 39 HB3 ALA 39 -5.458 6.386 -21.877 403 H GLU 40 HN GLU 40 -3.002 8.921 -19.854 404 HA GLU 40 HA GLU 40 -4.143 9.780 -17.297 405 HB2 GLU 40 HB2 GLU 40 -1.212 9.725 -18.138 406 HB3 GLU 40 HB1 GLU 40 -1.853 9.796 -16.492 407 HG2 GLU 40 HG2 GLU 40 -2.165 7.454 -18.391 408 HG3 GLU 40 HG1 GLU 40 -0.922 7.611 -17.159 409 H TYR 41 HN TYR 41 -1.970 11.064 -19.804 410 HA TYR 41 HA TYR 41 -2.029 13.707 -18.603 411 HB2 TYR 41 HB2 TYR 41 -0.154 12.431 -20.616 412 HB3 TYR 41 HB1 TYR 41 -0.111 14.155 -20.268 413 HD1 TYR 41 HD2 TYR 41 0.448 10.774 -18.798 414 HD2 TYR 41 HD1 TYR 41 0.882 14.991 -18.224 415 HE1 TYR 41 HE2 TYR 41 1.939 10.370 -16.877 416 HE2 TYR 41 HE1 TYR 41 2.360 14.585 -16.310 417 HH TYR 41 HH TYR 41 3.691 11.525 -15.610 418 H ASP 42 HN ASP 42 -3.272 15.239 -19.413 419 HA ASP 42 HA ASP 42 -4.858 15.061 -21.763 420 HB2 ASP 42 HB2 ASP 42 -4.125 17.559 -20.160 421 HB3 ASP 42 HB1 ASP 42 -5.464 17.417 -21.292 422 H GLY 43 HN GLY 43 -1.741 16.514 -21.072 423 HA2 GLY 43 HA2 GLY 43 -1.524 18.030 -23.533 424 HA3 GLY 43 HA1 GLY 43 -0.318 17.878 -22.270 425 H LEU 44 HN LEU 44 -1.067 14.748 -22.854 426 HA LEU 44 HA LEU 44 0.894 14.457 -25.064 427 HB2 LEU 44 HB2 LEU 44 0.113 12.481 -22.905 428 HB3 LEU 44 HB1 LEU 44 1.192 12.112 -24.228 429 HG LEU 44 HG LEU 44 1.712 14.083 -21.978 430 HD11 LEU 44 HD11 LEU 44 3.047 11.431 -22.597 431 HD12 LEU 44 HD12 LEU 44 1.930 11.757 -21.269 432 HD13 LEU 44 HD13 LEU 44 3.500 12.554 -21.306 433 HD21 LEU 44 HD21 LEU 44 3.483 13.385 -24.340 434 HD22 LEU 44 HD22 LEU 44 3.962 14.366 -22.949 435 HD23 LEU 44 HD23 LEU 44 2.697 14.937 -24.033 436 H ALA 45 HN ALA 45 -2.290 14.680 -24.810 437 HA ALA 45 HA ALA 45 -3.305 12.170 -25.740 438 HB1 ALA 45 HB1 ALA 45 -4.565 14.929 -25.755 439 HB2 ALA 45 HB2 ALA 45 -4.666 13.741 -24.452 440 HB3 ALA 45 HB3 ALA 45 -5.423 13.404 -26.009 441 H GLY 46 HN GLY 46 -3.089 11.355 -27.757 442 HA2 GLY 46 HA2 GLY 46 -3.628 11.189 -30.009 443 HA3 GLY 46 HA1 GLY 46 -3.874 12.923 -30.086 444 H ARG 47 HN ARG 47 -1.089 13.157 -28.828 445 HA ARG 47 HA ARG 47 0.275 13.547 -31.402 446 HB2 ARG 47 HB2 ARG 47 1.838 14.958 -29.962 447 HB3 ARG 47 HB1 ARG 47 0.157 15.495 -30.007 448 HG2 ARG 47 HG2 ARG 47 -0.227 14.328 -27.824 449 HG3 ARG 47 HG1 ARG 47 1.493 13.935 -27.768 450 HD2 ARG 47 HD2 ARG 47 0.808 15.894 -26.387 451 HD3 ARG 47 HD1 ARG 47 2.064 16.246 -27.538 452 HE ARG 47 HE ARG 47 -0.467 16.882 -28.641 453 HH11 ARG 47 HH11 ARG 47 1.797 18.090 -26.243 454 HH12 ARG 47 HH12 ARG 47 1.264 19.728 -26.382 455 HH21 ARG 47 HH21 ARG 47 -1.182 19.040 -28.796 456 HH22 ARG 47 HH22 ARG 47 -0.453 20.261 -27.805 457 H LEU 48 HN LEU 48 0.129 10.985 -29.528 458 HA LEU 48 HA LEU 48 2.949 10.184 -29.822 459 HB2 LEU 48 HB2 LEU 48 3.066 9.255 -27.648 460 HB3 LEU 48 HB1 LEU 48 2.429 10.871 -27.447 461 HG LEU 48 HG LEU 48 1.104 8.196 -26.958 462 HD11 LEU 48 HD11 LEU 48 2.234 9.269 -25.096 463 HD12 LEU 48 HD12 LEU 48 0.499 9.201 -24.807 464 HD13 LEU 48 HD13 LEU 48 1.253 10.721 -25.300 465 HD21 LEU 48 HD21 LEU 48 -0.511 10.735 -27.302 466 HD22 LEU 48 HD22 LEU 48 -1.096 9.166 -26.748 467 HD23 LEU 48 HD23 LEU 48 -0.518 9.349 -28.392 468 H ILE 49 HN ILE 49 -0.320 9.499 -30.395 469 HA ILE 49 HA ILE 49 0.444 6.932 -31.635 470 HB ILE 49 HB ILE 49 -2.191 7.463 -30.201 471 HG12 ILE 49 HG12 ILE 49 -0.012 5.384 -29.808 472 HG13 ILE 49 HG11 ILE 49 -0.524 6.627 -28.669 473 HG21 ILE 49 HG21 ILE 49 -1.546 5.119 -32.054 474 HG22 ILE 49 HG22 ILE 49 -2.704 6.408 -32.388 475 HG23 ILE 49 HG23 ILE 49 -3.008 5.276 -31.075 476 HD11 ILE 49 HD11 ILE 49 -2.175 4.251 -29.534 477 HD12 ILE 49 HD12 ILE 49 -2.630 5.463 -28.333 478 HD13 ILE 49 HD13 ILE 49 -1.260 4.397 -28.039 479 H GLU 50 HN GLU 50 0.183 7.070 -33.803 480 HA GLU 50 HA GLU 50 -2.098 8.637 -34.890 481 HB2 GLU 50 HB2 GLU 50 0.055 9.756 -35.429 482 HB3 GLU 50 HB1 GLU 50 0.641 8.284 -36.183 483 HG2 GLU 50 HG2 GLU 50 -0.091 9.893 -37.866 484 HG3 GLU 50 HG1 GLU 50 -1.090 8.439 -37.911 485 H ASP 51 HN ASP 51 -3.545 7.107 -35.386 486 HA ASP 51 HA ASP 51 -4.604 5.368 -36.374 487 HB2 ASP 51 HB2 ASP 51 -3.906 6.741 -38.354 488 HB3 ASP 51 HB1 ASP 51 -2.492 5.711 -38.535 489 H GLY 52 HN GLY 52 -2.814 4.578 -34.403 490 HA2 GLY 52 HA2 GLY 52 -2.567 2.438 -33.512 491 HA3 GLY 52 HA1 GLY 52 -2.551 1.753 -35.121 492 H GLU 53 HN GLU 53 -0.339 3.978 -35.673 493 HA GLU 53 HA GLU 53 1.929 2.500 -34.439 494 HB2 GLU 53 HB2 GLU 53 3.372 3.610 -36.117 495 HB3 GLU 53 HB1 GLU 53 2.087 2.678 -36.882 496 HG2 GLU 53 HG2 GLU 53 0.841 4.665 -37.379 497 HG3 GLU 53 HG1 GLU 53 1.938 5.671 -36.444 498 H VAL 54 HN VAL 54 3.920 4.420 -34.317 499 HA VAL 54 HA VAL 54 3.113 5.691 -31.882 500 HB VAL 54 HB VAL 54 5.450 6.696 -31.861 501 HG11 VAL 54 HG11 VAL 54 6.568 4.535 -31.425 502 HG12 VAL 54 HG12 VAL 54 5.267 3.685 -32.267 503 HG13 VAL 54 HG13 VAL 54 4.929 4.549 -30.765 504 HG21 VAL 54 HG21 VAL 54 7.122 5.861 -33.494 505 HG22 VAL 54 HG22 VAL 54 5.883 6.827 -34.301 506 HG23 VAL 54 HG23 VAL 54 5.839 5.064 -34.412 507 H LYS 55 HN LYS 55 4.218 7.259 -35.023 508 HA LYS 55 HA LYS 55 2.439 9.178 -35.502 509 HB2 LYS 55 HB2 LYS 55 2.365 10.024 -33.245 510 HB3 LYS 55 HB1 LYS 55 4.099 10.203 -33.159 511 HG2 LYS 55 HG2 LYS 55 3.236 12.394 -33.299 512 HG3 LYS 55 HG1 LYS 55 3.818 12.051 -34.926 513 HD2 LYS 55 HD2 LYS 55 1.633 13.189 -34.976 514 HD3 LYS 55 HD1 LYS 55 1.523 11.575 -35.674 515 HE2 LYS 55 HE2 LYS 55 0.527 10.736 -33.583 516 HE3 LYS 55 HE1 LYS 55 0.680 12.338 -32.859 517 HZ1 LYS 55 HZ1 LYS 55 -0.844 13.196 -34.505 518 HZ2 LYS 55 HZ2 LYS 55 -1.548 11.914 -33.656 519 HZ3 LYS 55 HZ3 LYS 55 -0.977 11.675 -35.231 520 HA PRO 56 HA PRO 56 5.790 10.362 -38.407 521 HB2 PRO 56 HB2 PRO 56 4.404 12.645 -39.306 522 HB3 PRO 56 HB1 PRO 56 4.244 11.022 -39.996 523 HG2 PRO 56 HG2 PRO 56 2.530 12.378 -37.907 524 HG3 PRO 56 HG1 PRO 56 2.018 11.432 -39.310 525 HD2 PRO 56 HD2 PRO 56 1.983 10.313 -36.934 526 HD3 PRO 56 HD1 PRO 56 2.616 9.380 -38.305 527 H HIS 57 HN HIS 57 7.527 11.570 -37.963 528 HA HIS 57 HA HIS 57 8.925 13.231 -37.381 529 HB2 HIS 57 HB2 HIS 57 6.506 14.888 -36.582 530 HB3 HIS 57 HB1 HIS 57 8.152 15.490 -36.697 531 HD1 HIS 57 HD1 HIS 57 9.163 15.722 -39.140 532 HD2 HIS 57 HD2 HIS 57 5.118 14.763 -38.983 533 HE1 HIS 57 HE1 HIS 57 8.260 16.205 -41.438 534 HE2 HIS 57 HE2 HIS 57 5.791 15.734 -41.282 535 H VAL 58 HN VAL 58 6.836 11.829 -35.051 536 HA VAL 58 HA VAL 58 8.045 12.930 -32.696 537 HB VAL 58 HB VAL 58 5.765 11.523 -32.986 538 HG11 VAL 58 HG11 VAL 58 6.821 9.398 -33.677 539 HG12 VAL 58 HG12 VAL 58 5.884 9.215 -32.193 540 HG13 VAL 58 HG13 VAL 58 7.644 9.308 -32.115 541 HG21 VAL 58 HG21 VAL 58 6.407 12.690 -30.930 542 HG22 VAL 58 HG22 VAL 58 7.452 11.345 -30.470 543 HG23 VAL 58 HG23 VAL 58 5.702 11.115 -30.554 544 H ASN 59 HN ASN 59 9.775 12.036 -31.438 545 HA ASN 59 HA ASN 59 11.288 9.818 -32.728 546 HB2 ASN 59 HB2 ASN 59 12.417 12.220 -31.221 547 HB3 ASN 59 HB1 ASN 59 13.367 10.865 -31.825 548 HD21 ASN 59 HD21 ASN 59 13.589 10.605 -34.099 549 HD22 ASN 59 HD22 ASN 59 13.338 11.930 -35.181 550 H VAL 60 HN VAL 60 10.773 8.122 -31.558 551 HA VAL 60 HA VAL 60 10.785 8.295 -28.602 552 HB VAL 60 HB VAL 60 9.270 6.208 -28.744 553 HG11 VAL 60 HG11 VAL 60 8.457 8.439 -27.988 554 HG12 VAL 60 HG12 VAL 60 7.206 7.592 -28.900 555 HG13 VAL 60 HG13 VAL 60 8.122 8.893 -29.664 556 HG21 VAL 60 HG21 VAL 60 9.538 5.705 -31.152 557 HG22 VAL 60 HG22 VAL 60 8.771 7.236 -31.572 558 HG23 VAL 60 HG23 VAL 60 7.841 5.977 -30.753 559 H LEU 61 HN LEU 61 12.011 6.942 -27.539 560 HA LEU 61 HA LEU 61 13.845 5.160 -28.989 561 HB2 LEU 61 HB2 LEU 61 14.441 7.053 -26.705 562 HB3 LEU 61 HB1 LEU 61 15.569 5.837 -27.265 563 HG LEU 61 HG LEU 61 15.478 7.066 -29.520 564 HD11 LEU 61 HD11 LEU 61 14.239 9.241 -27.873 565 HD12 LEU 61 HD12 LEU 61 13.516 8.399 -29.246 566 HD13 LEU 61 HD13 LEU 61 14.916 9.435 -29.492 567 HD21 LEU 61 HD21 LEU 61 17.180 8.703 -28.863 568 HD22 LEU 61 HD22 LEU 61 17.437 7.160 -28.049 569 HD23 LEU 61 HD23 LEU 61 16.715 8.510 -27.169 570 H LYS 62 HN LYS 62 13.997 3.180 -28.221 571 HA LYS 62 HA LYS 62 13.122 2.474 -25.492 572 HB2 LYS 62 HB2 LYS 62 12.003 1.044 -26.973 573 HB3 LYS 62 HB1 LYS 62 13.304 1.045 -28.139 574 HG2 LYS 62 HG2 LYS 62 13.113 -1.130 -27.283 575 HG3 LYS 62 HG1 LYS 62 14.603 -0.461 -26.641 576 HD2 LYS 62 HD2 LYS 62 13.371 -0.018 -24.493 577 HD3 LYS 62 HD1 LYS 62 11.967 -0.851 -25.178 578 HE2 LYS 62 HE2 LYS 62 13.234 -2.390 -23.788 579 HE3 LYS 62 HE1 LYS 62 13.359 -2.900 -25.471 580 HZ1 LYS 62 HZ1 LYS 62 15.491 -3.051 -24.472 581 HZ2 LYS 62 HZ2 LYS 62 15.397 -1.484 -23.852 582 HZ3 LYS 62 HZ3 LYS 62 15.529 -1.724 -25.522 583 H ASN 63 HN ASN 63 14.816 2.830 -24.191 584 HA ASN 63 HA ASN 63 16.818 2.658 -23.159 585 HB2 ASN 63 HB2 ASN 63 16.155 0.176 -23.631 586 HB3 ASN 63 HB1 ASN 63 17.381 0.212 -24.888 587 HD21 ASN 63 HD21 ASN 63 16.775 0.277 -21.467 588 HD22 ASN 63 HD22 ASN 63 18.394 -0.020 -20.953 589 H GLY 64 HN GLY 64 16.696 4.373 -25.407 590 HA2 GLY 64 HA2 GLY 64 18.257 5.840 -26.347 591 HA3 GLY 64 HA1 GLY 64 19.522 4.645 -26.131 592 H ARG 65 HN ARG 65 17.367 2.770 -27.533 593 HA ARG 65 HA ARG 65 18.352 3.228 -30.262 594 HB2 ARG 65 HB2 ARG 65 18.663 0.984 -29.352 595 HB3 ARG 65 HB1 ARG 65 16.949 0.842 -28.978 596 HG2 ARG 65 HG2 ARG 65 16.396 0.792 -31.366 597 HG3 ARG 65 HG1 ARG 65 18.089 1.069 -31.792 598 HD2 ARG 65 HD2 ARG 65 18.731 -1.087 -30.848 599 HD3 ARG 65 HD1 ARG 65 17.094 -1.355 -30.250 600 HE ARG 65 HE ARG 65 16.343 -1.606 -32.523 601 HH11 ARG 65 HH11 ARG 65 19.846 -1.520 -32.271 602 HH12 ARG 65 HH12 ARG 65 20.081 -2.507 -33.674 603 HH21 ARG 65 HH21 ARG 65 16.673 -2.881 -34.361 604 HH22 ARG 65 HH22 ARG 65 18.283 -3.268 -34.865 605 H GLU 66 HN GLU 66 17.132 4.525 -31.447 606 HA GLU 66 HA GLU 66 14.538 5.328 -30.609 607 HB2 GLU 66 HB2 GLU 66 16.389 6.767 -31.668 608 HB3 GLU 66 HB1 GLU 66 15.867 6.122 -33.221 609 HG2 GLU 66 HG2 GLU 66 13.621 7.086 -32.846 610 HG3 GLU 66 HG1 GLU 66 14.128 7.669 -31.278 611 H VAL 67 HN VAL 67 12.835 4.102 -30.910 612 HA VAL 67 HA VAL 67 12.712 1.982 -32.794 613 HB VAL 67 HB VAL 67 10.466 1.478 -31.808 614 HG11 VAL 67 HG11 VAL 67 11.342 0.833 -29.579 615 HG12 VAL 67 HG12 VAL 67 12.761 1.849 -29.857 616 HG13 VAL 67 HG13 VAL 67 12.462 0.448 -30.890 617 HG21 VAL 67 HG21 VAL 67 9.753 3.769 -31.198 618 HG22 VAL 67 HG22 VAL 67 11.032 3.857 -29.984 619 HG23 VAL 67 HG23 VAL 67 9.713 2.697 -29.796 620 H VAL 68 HN VAL 68 11.970 5.197 -33.376 621 HA VAL 68 HA VAL 68 9.763 4.866 -35.166 622 HB VAL 68 HB VAL 68 10.294 7.030 -36.109 623 HG11 VAL 68 HG11 VAL 68 9.263 7.069 -33.899 624 HG12 VAL 68 HG12 VAL 68 10.369 8.432 -34.073 625 HG13 VAL 68 HG13 VAL 68 10.852 7.024 -33.124 626 HG21 VAL 68 HG21 VAL 68 12.729 6.796 -36.441 627 HG22 VAL 68 HG22 VAL 68 12.995 6.904 -34.700 628 HG23 VAL 68 HG23 VAL 68 12.359 8.295 -35.583 629 H HIS 69 HN HIS 69 13.118 4.057 -35.382 630 HA HIS 69 HA HIS 69 13.208 3.825 -38.295 631 HB2 HIS 69 HB2 HIS 69 15.274 3.049 -36.181 632 HB3 HIS 69 HB1 HIS 69 15.553 3.090 -37.921 633 HD1 HIS 69 HD1 HIS 69 15.603 5.506 -39.041 634 HD2 HIS 69 HD2 HIS 69 15.543 5.493 -34.882 635 HE1 HIS 69 HE1 HIS 69 16.278 7.827 -38.348 636 HE2 HIS 69 HE2 HIS 69 16.139 7.828 -35.831 637 H LEU 70 HN LEU 70 12.704 1.791 -35.486 638 HA LEU 70 HA LEU 70 12.365 -0.624 -37.174 639 HB2 LEU 70 HB2 LEU 70 12.823 -1.955 -35.075 640 HB3 LEU 70 HB1 LEU 70 14.205 -1.124 -35.747 641 HG LEU 70 HG LEU 70 12.710 0.247 -33.510 642 HD11 LEU 70 HD11 LEU 70 12.923 -2.026 -32.653 643 HD12 LEU 70 HD12 LEU 70 13.993 -0.924 -31.789 644 HD13 LEU 70 HD13 LEU 70 14.654 -2.022 -33.007 645 HD21 LEU 70 HD21 LEU 70 15.670 0.090 -34.192 646 HD22 LEU 70 HD22 LEU 70 14.941 1.080 -32.921 647 HD23 LEU 70 HD23 LEU 70 14.577 1.417 -34.613 648 H ASP 71 HN ASP 71 11.061 -2.100 -34.974 649 HA ASP 71 HA ASP 71 8.371 -1.319 -35.302 650 HB2 ASP 71 HB2 ASP 71 9.641 -3.152 -33.219 651 HB3 ASP 71 HB1 ASP 71 7.905 -3.000 -33.494 652 H GLY 72 HN GLY 72 7.612 0.577 -34.533 653 HA2 GLY 72 HA2 GLY 72 8.657 1.888 -32.177 654 HA3 GLY 72 HA1 GLY 72 7.378 2.477 -33.216 655 H MET 73 HN MET 73 5.749 0.101 -33.009 656 HA MET 73 HA MET 73 4.412 0.688 -30.504 657 HB2 MET 73 HB2 MET 73 3.701 -0.792 -33.026 658 HB3 MET 73 HB1 MET 73 2.812 -1.200 -31.562 659 HG2 MET 73 HG2 MET 73 3.085 1.631 -32.593 660 HG3 MET 73 HG1 MET 73 1.727 0.560 -32.965 661 HE1 MET 73 HE1 MET 73 0.424 2.847 -31.838 662 HE2 MET 73 HE2 MET 73 1.921 3.526 -31.192 663 HE3 MET 73 HE3 MET 73 0.555 3.217 -30.121 664 H ALA 74 HN ALA 74 6.176 -2.104 -31.843 665 HA ALA 74 HA ALA 74 6.311 -3.272 -29.133 666 HB1 ALA 74 HB1 ALA 74 4.284 -4.279 -30.113 667 HB2 ALA 74 HB2 ALA 74 5.546 -5.481 -29.840 668 HB3 ALA 74 HB3 ALA 74 5.237 -4.883 -31.474 669 H THR 75 HN THR 75 8.482 -2.588 -29.348 670 HA THR 75 HA THR 75 10.244 -3.864 -31.245 671 HB THR 75 HB THR 75 10.912 -1.664 -30.713 672 HG1 THR 75 HG1 THR 75 12.652 -3.246 -30.686 673 HG21 THR 75 HG21 THR 75 9.660 -1.386 -28.568 674 HG22 THR 75 HG22 THR 75 11.307 -0.765 -28.482 675 HG23 THR 75 HG23 THR 75 10.911 -2.315 -27.741 676 H ALA 76 HN ALA 76 10.249 -3.968 -27.611 677 HA ALA 76 HA ALA 76 10.978 -6.587 -27.158 678 HB1 ALA 76 HB1 ALA 76 13.472 -6.493 -27.048 679 HB2 ALA 76 HB2 ALA 76 13.432 -4.872 -27.758 680 HB3 ALA 76 HB3 ALA 76 12.880 -6.259 -28.697 681 H LEU 77 HN LEU 77 9.617 -4.476 -25.748 682 HA LEU 77 HA LEU 77 11.416 -3.042 -24.029 683 HB2 LEU 77 HB2 LEU 77 8.990 -2.418 -24.916 684 HB3 LEU 77 HB1 LEU 77 8.481 -3.123 -23.405 685 HG LEU 77 HG LEU 77 10.145 -0.626 -23.895 686 HD11 LEU 77 HD11 LEU 77 7.625 -1.045 -22.276 687 HD12 LEU 77 HD12 LEU 77 7.717 -0.387 -23.904 688 HD13 LEU 77 HD13 LEU 77 8.450 0.489 -22.573 689 HD21 LEU 77 HD21 LEU 77 9.839 -2.003 -21.213 690 HD22 LEU 77 HD22 LEU 77 10.498 -0.383 -21.474 691 HD23 LEU 77 HD23 LEU 77 11.334 -1.788 -22.128 692 H ASP 78 HN ASP 78 12.191 -3.674 -22.101 693 HA ASP 78 HA ASP 78 11.115 -6.112 -20.780 694 HB2 ASP 78 HB2 ASP 78 14.034 -5.223 -20.632 695 HB3 ASP 78 HB1 ASP 78 13.359 -6.800 -20.264 696 H ASP 79 HN ASP 79 12.042 -6.216 -18.436 697 HA ASP 79 HA ASP 79 11.018 -3.968 -16.987 698 HB2 ASP 79 HB2 ASP 79 11.489 -5.277 -14.965 699 HB3 ASP 79 HB1 ASP 79 10.715 -6.293 -16.173 700 H GLY 80 HN GLY 80 12.066 -2.560 -15.583 701 HA2 GLY 80 HA2 GLY 80 13.721 -1.225 -14.727 702 HA3 GLY 80 HA1 GLY 80 14.885 -2.491 -15.099 703 H ASP 81 HN ASP 81 12.952 -1.353 -17.750 704 HA ASP 81 HA ASP 81 15.312 -0.576 -19.204 705 HB2 ASP 81 HB2 ASP 81 13.190 -1.764 -20.180 706 HB3 ASP 81 HB1 ASP 81 12.442 -0.182 -20.151 707 H ALA 82 HN ALA 82 15.302 1.547 -20.541 708 HA ALA 82 HA ALA 82 13.922 3.794 -19.179 709 HB1 ALA 82 HB1 ALA 82 16.298 3.884 -18.557 710 HB2 ALA 82 HB2 ALA 82 15.875 5.241 -19.603 711 HB3 ALA 82 HB3 ALA 82 16.770 3.865 -20.260 712 H VAL 83 HN VAL 83 12.288 3.879 -20.686 713 HA VAL 83 HA VAL 83 12.807 4.007 -23.573 714 HB VAL 83 HB VAL 83 10.176 4.291 -22.025 715 HG11 VAL 83 HG11 VAL 83 9.056 3.836 -24.191 716 HG12 VAL 83 HG12 VAL 83 10.625 3.827 -25.005 717 HG13 VAL 83 HG13 VAL 83 10.022 5.313 -24.265 718 HG21 VAL 83 HG21 VAL 83 9.730 1.948 -22.673 719 HG22 VAL 83 HG22 VAL 83 11.169 2.073 -21.658 720 HG23 VAL 83 HG23 VAL 83 11.337 1.838 -23.400 721 H SER 84 HN SER 84 13.645 5.959 -24.167 722 HA SER 84 HA SER 84 12.823 8.498 -22.979 723 HB2 SER 84 HB2 SER 84 14.801 7.804 -25.190 724 HB3 SER 84 HB1 SER 84 14.507 9.441 -24.618 725 HG SER 84 HG SER 84 15.022 7.602 -22.635 726 H VAL 85 HN VAL 85 11.901 10.256 -24.287 727 HA VAL 85 HA VAL 85 10.747 9.623 -26.889 728 HB VAL 85 HB VAL 85 8.477 10.390 -26.353 729 HG11 VAL 85 HG11 VAL 85 8.848 7.955 -26.200 730 HG12 VAL 85 HG12 VAL 85 7.607 8.485 -25.063 731 HG13 VAL 85 HG13 VAL 85 9.233 8.112 -24.483 732 HG21 VAL 85 HG21 VAL 85 9.384 10.552 -23.467 733 HG22 VAL 85 HG22 VAL 85 7.722 10.753 -24.032 734 HG23 VAL 85 HG23 VAL 85 8.963 11.913 -24.513 735 H PHE 86 HN PHE 86 10.406 11.379 -28.112 736 HA PHE 86 HA PHE 86 10.793 14.119 -27.089 737 HB2 PHE 86 HB2 PHE 86 11.896 13.042 -29.755 738 HB3 PHE 86 HB1 PHE 86 11.976 14.711 -29.216 739 HD1 PHE 86 HD2 PHE 86 13.141 11.271 -28.319 740 HD2 PHE 86 HD1 PHE 86 13.956 15.469 -28.090 741 HE1 PHE 86 HE2 PHE 86 15.350 10.801 -27.382 742 HE2 PHE 86 HE1 PHE 86 16.192 14.965 -27.163 743 HZ PHE 86 HZ PHE 86 16.877 12.604 -26.821 744 HA PRO 87 HA PRO 87 6.750 14.438 -29.231 745 HB2 PRO 87 HB2 PRO 87 6.761 17.207 -29.626 746 HB3 PRO 87 HB1 PRO 87 6.348 16.430 -28.092 747 HG2 PRO 87 HG2 PRO 87 8.996 17.550 -28.991 748 HG3 PRO 87 HG1 PRO 87 8.145 17.787 -27.450 749 HD2 PRO 87 HD2 PRO 87 10.139 16.054 -27.578 750 HD3 PRO 87 HD1 PRO 87 8.668 15.630 -26.669 751 HA PRO 88 HA PRO 88 7.478 14.777 -33.652 752 HB2 PRO 88 HB2 PRO 88 5.300 16.264 -34.536 753 HB3 PRO 88 HB1 PRO 88 5.256 14.528 -34.193 754 HG2 PRO 88 HG2 PRO 88 4.387 16.828 -32.463 755 HG3 PRO 88 HG1 PRO 88 3.597 15.260 -32.722 756 HD2 PRO 88 HD2 PRO 88 5.059 15.783 -30.492 757 HD3 PRO 88 HD1 PRO 88 5.017 14.156 -31.213 758 H VAL 89 HN VAL 89 8.817 16.032 -34.737 759 HA VAL 89 HA VAL 89 9.567 18.626 -33.625 760 HB VAL 89 HB VAL 89 11.614 18.374 -35.038 761 HG11 VAL 89 HG11 VAL 89 10.971 15.912 -33.357 762 HG12 VAL 89 HG12 VAL 89 11.598 17.448 -32.752 763 HG13 VAL 89 HG13 VAL 89 12.589 16.454 -33.819 764 HG21 VAL 89 HG21 VAL 89 10.372 15.733 -35.920 765 HG22 VAL 89 HG22 VAL 89 12.019 16.265 -36.277 766 HG23 VAL 89 HG23 VAL 89 10.645 17.147 -36.942 767 H ALA 90 HN ALA 90 7.176 18.143 -35.451 768 HA ALA 90 HA ALA 90 7.708 20.181 -37.532 769 HB1 ALA 90 HB1 ALA 90 5.620 17.963 -37.497 770 HB2 ALA 90 HB2 ALA 90 7.102 17.980 -38.457 771 HB3 ALA 90 HB3 ALA 90 5.833 19.163 -38.776 772 H GLY 91 HN GLY 91 5.964 21.698 -37.927 773 HA2 GLY 91 HA2 GLY 91 3.762 22.026 -36.105 774 HA3 GLY 91 HA1 GLY 91 5.101 23.109 -35.733 775 H GLY 92 HN GLY 92 3.151 21.997 -38.494 776 HA2 GLY 92 HA2 GLY 92 2.184 24.514 -39.266 777 HA3 GLY 92 HA1 GLY 92 3.644 24.189 -40.203
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