NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
497485 | 2l55 | 17266 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 12.840 -3.390 -5.949 2 H2 GLY 1 HT2 GLY 1 13.677 -3.915 -7.323 3 H3 GLY 1 HT3 GLY 1 14.453 -3.887 -5.817 4 HA2 GLY 1 HA1 GLY 1 13.863 -6.141 -6.370 5 HA3 GLY 1 HA2 GLY 1 12.936 -5.583 -4.984 6 HA PRO 2 HA PRO 2 10.107 -7.338 -8.354 7 HB2 PRO 2 HB2 PRO 2 8.851 -9.122 -6.704 8 HB3 PRO 2 HB1 PRO 2 10.265 -9.516 -7.686 9 HG2 PRO 2 HG2 PRO 2 10.117 -8.792 -4.784 10 HG3 PRO 2 HG1 PRO 2 11.080 -10.054 -5.577 11 HD2 PRO 2 HD2 PRO 2 12.160 -7.709 -4.834 12 HD3 PRO 2 HD1 PRO 2 12.678 -8.553 -6.310 13 H GLU 3 HN GLU 3 7.960 -6.809 -8.596 14 HA GLU 3 HA GLU 3 6.895 -4.996 -6.560 15 HB2 GLU 3 HB2 GLU 3 7.154 -4.267 -8.943 16 HB3 GLU 3 HB1 GLU 3 5.962 -5.473 -9.396 17 HG2 GLU 3 HG2 GLU 3 4.290 -4.334 -8.029 18 HG3 GLU 3 HG1 GLU 3 5.490 -3.120 -7.579 19 H HIS 4 HN HIS 4 5.074 -5.432 -5.429 20 HA HIS 4 HA HIS 4 3.560 -7.853 -6.165 21 HB2 HIS 4 HB2 HIS 4 4.297 -6.989 -3.357 22 HB3 HIS 4 HB1 HIS 4 3.322 -8.389 -3.781 23 HD1 HIS 4 HD1 HIS 4 4.666 -10.290 -5.217 24 HD2 HIS 4 HD2 HIS 4 6.957 -7.486 -3.161 25 HE1 HIS 4 HE1 HIS 4 6.964 -11.295 -5.025 26 HE2 HIS 4 HE2 HIS 4 8.253 -9.691 -3.565 27 H ARG 5 HN ARG 5 1.337 -7.866 -5.409 28 HA ARG 5 HA ARG 5 0.182 -5.201 -5.450 29 HB2 ARG 5 HB2 ARG 5 -0.648 -7.253 -6.798 30 HB3 ARG 5 HB1 ARG 5 -1.344 -7.790 -5.271 31 HG2 ARG 5 HG2 ARG 5 -3.019 -6.661 -6.566 32 HG3 ARG 5 HG1 ARG 5 -2.618 -5.698 -5.144 33 HD2 ARG 5 HD2 ARG 5 -1.176 -4.273 -6.500 34 HD3 ARG 5 HD1 ARG 5 -1.536 -5.249 -7.924 35 HE ARG 5 HE ARG 5 -3.940 -4.278 -6.792 36 HH11 ARG 5 HH11 ARG 5 -1.160 -3.236 -8.648 37 HH12 ARG 5 HH12 ARG 5 -1.984 -1.887 -9.369 38 HH21 ARG 5 HH21 ARG 5 -5.041 -2.537 -7.768 39 HH22 ARG 5 HH22 ARG 5 -4.213 -1.511 -8.895 40 H ALA 6 HN ALA 6 -0.962 -4.296 -3.766 41 HA ALA 6 HA ALA 6 -1.468 -5.897 -1.389 42 HB1 ALA 6 HB1 ALA 6 0.195 -3.385 -1.284 43 HB2 ALA 6 HB2 ALA 6 0.791 -5.027 -1.044 44 HB3 ALA 6 HB3 ALA 6 -0.353 -4.328 0.102 45 H VAL 7 HN VAL 7 -3.407 -5.442 -0.655 46 HA VAL 7 HA VAL 7 -4.532 -2.773 -1.169 47 HB VAL 7 HB VAL 7 -6.766 -3.831 -0.781 48 HG11 VAL 7 HG11 VAL 7 -5.114 -4.961 -3.034 49 HG12 VAL 7 HG12 VAL 7 -5.971 -3.420 -3.031 50 HG13 VAL 7 HG13 VAL 7 -6.876 -4.932 -2.975 51 HG21 VAL 7 HG21 VAL 7 -5.199 -6.407 -0.920 52 HG22 VAL 7 HG22 VAL 7 -6.956 -6.267 -0.918 53 HG23 VAL 7 HG23 VAL 7 -6.032 -5.778 0.500 54 H GLY 8 HN GLY 8 -5.649 -1.707 0.544 55 HA2 GLY 8 HA2 GLY 8 -6.069 -2.784 3.090 56 HA3 GLY 8 HA1 GLY 8 -4.478 -2.038 3.088 57 H ARG 9 HN ARG 9 -5.715 -0.836 4.819 58 HA ARG 9 HA ARG 9 -7.231 1.412 3.667 59 HB2 ARG 9 HB2 ARG 9 -8.564 0.132 5.236 60 HB3 ARG 9 HB1 ARG 9 -7.296 0.241 6.451 61 HG2 ARG 9 HG2 ARG 9 -7.624 2.602 6.671 62 HG3 ARG 9 HG1 ARG 9 -8.759 2.613 5.321 63 HD2 ARG 9 HD2 ARG 9 -9.895 2.704 7.483 64 HD3 ARG 9 HD1 ARG 9 -10.315 1.255 6.579 65 HE ARG 9 HE ARG 9 -8.871 -0.005 8.067 66 HH11 ARG 9 HH11 ARG 9 -9.582 3.283 9.070 67 HH12 ARG 9 HH12 ARG 9 -9.380 2.946 10.766 68 HH21 ARG 9 HH21 ARG 9 -8.612 -0.444 10.296 69 HH22 ARG 9 HH22 ARG 9 -8.823 0.832 11.455 70 H ILE 10 HN ILE 10 -6.475 3.418 3.916 71 HA ILE 10 HA ILE 10 -3.766 3.771 4.655 72 HB ILE 10 HB ILE 10 -5.857 5.919 4.286 73 HG12 ILE 10 HG12 ILE 10 -5.830 4.510 2.316 74 HG13 ILE 10 HG11 ILE 10 -5.013 6.027 1.947 75 HG21 ILE 10 HG21 ILE 10 -3.936 7.331 3.716 76 HG22 ILE 10 HG22 ILE 10 -2.852 5.987 4.073 77 HG23 ILE 10 HG23 ILE 10 -3.826 6.698 5.360 78 HD11 ILE 10 HD11 ILE 10 -3.819 4.180 0.981 79 HD12 ILE 10 HD12 ILE 10 -3.708 3.385 2.553 80 HD13 ILE 10 HD13 ILE 10 -2.850 4.901 2.268 81 H GLN 11 HN GLN 11 -2.912 4.128 6.576 82 HA GLN 11 HA GLN 11 -4.681 4.538 8.847 83 HB2 GLN 11 HB2 GLN 11 -2.822 2.808 8.800 84 HB3 GLN 11 HB1 GLN 11 -1.683 4.146 8.862 85 HG2 GLN 11 HG2 GLN 11 -1.902 3.348 11.052 86 HG3 GLN 11 HG1 GLN 11 -2.806 4.860 10.989 87 HE21 GLN 11 HE21 GLN 11 -3.927 1.822 9.661 88 HE22 GLN 11 HE22 GLN 11 -5.210 1.572 10.787 89 H SER 12 HN SER 12 -1.792 6.004 7.396 90 HA SER 12 HA SER 12 -2.734 8.657 7.985 91 HB2 SER 12 HB2 SER 12 -0.172 7.691 9.294 92 HB3 SER 12 HB1 SER 12 -0.813 9.336 9.341 93 HG SER 12 HG SER 12 -2.768 7.849 10.185 94 H ILE 13 HN ILE 13 -1.612 10.242 6.759 95 HA ILE 13 HA ILE 13 0.221 9.138 4.746 96 HB ILE 13 HB ILE 13 -1.503 11.614 4.721 97 HG12 ILE 13 HG12 ILE 13 -1.388 9.129 3.006 98 HG13 ILE 13 HG11 ILE 13 -2.655 9.565 4.147 99 HG21 ILE 13 HG21 ILE 13 0.590 10.812 2.702 100 HG22 ILE 13 HG22 ILE 13 0.626 12.235 3.745 101 HG23 ILE 13 HG23 ILE 13 -0.600 12.097 2.484 102 HD11 ILE 13 HD11 ILE 13 -3.336 9.964 1.842 103 HD12 ILE 13 HD12 ILE 13 -1.973 11.065 1.629 104 HD13 ILE 13 HD13 ILE 13 -3.262 11.468 2.762 105 H GLY 14 HN GLY 14 2.218 9.994 4.382 106 HA2 GLY 14 HA2 GLY 14 3.159 12.025 6.305 107 HA3 GLY 14 HA1 GLY 14 4.124 10.635 5.839 108 H GLU 15 HN GLU 15 5.575 12.573 5.440 109 HA GLU 15 HA GLU 15 5.058 14.277 3.226 110 HB2 GLU 15 HB2 GLU 15 7.470 14.911 3.503 111 HB3 GLU 15 HB1 GLU 15 6.491 15.078 4.952 112 HG2 GLU 15 HG2 GLU 15 7.354 12.805 5.643 113 HG3 GLU 15 HG1 GLU 15 8.513 12.953 4.320 114 H ARG 16 HN ARG 16 7.079 11.391 3.637 115 HA ARG 16 HA ARG 16 6.914 10.959 0.761 116 HB2 ARG 16 HB2 ARG 16 9.408 10.235 0.877 117 HB3 ARG 16 HB1 ARG 16 8.998 11.921 0.650 118 HG2 ARG 16 HG2 ARG 16 10.771 11.833 2.207 119 HG3 ARG 16 HG1 ARG 16 9.316 12.234 3.117 120 HD2 ARG 16 HD2 ARG 16 9.134 9.987 3.931 121 HD3 ARG 16 HD1 ARG 16 10.442 9.448 2.879 122 HE ARG 16 HE ARG 16 11.613 11.381 4.367 123 HH11 ARG 16 HH11 ARG 16 9.665 8.600 5.248 124 HH12 ARG 16 HH12 ARG 16 10.557 8.274 6.702 125 HH21 ARG 16 HH21 ARG 16 12.781 10.956 6.296 126 HH22 ARG 16 HH22 ARG 16 12.314 9.617 7.306 127 H SER 17 HN SER 17 6.276 9.845 3.618 128 HA SER 17 HA SER 17 6.073 7.158 2.657 129 HB2 SER 17 HB2 SER 17 7.070 6.202 4.779 130 HB3 SER 17 HB1 SER 17 8.223 6.883 3.641 131 HG SER 17 HG SER 17 7.719 7.577 6.198 132 H LEU 18 HN LEU 18 4.514 5.994 3.790 133 HA LEU 18 HA LEU 18 3.056 7.403 5.873 134 HB2 LEU 18 HB2 LEU 18 0.928 6.881 4.366 135 HB3 LEU 18 HB1 LEU 18 1.784 8.409 4.313 136 HG LEU 18 HG LEU 18 3.139 7.236 2.390 137 HD11 LEU 18 HD11 LEU 18 1.756 5.727 1.062 138 HD12 LEU 18 HD12 LEU 18 0.536 5.725 2.336 139 HD13 LEU 18 HD13 LEU 18 2.133 5.043 2.644 140 HD21 LEU 18 HD21 LEU 18 0.341 8.305 2.063 141 HD22 LEU 18 HD22 LEU 18 1.542 8.166 0.778 142 HD23 LEU 18 HD23 LEU 18 1.829 9.253 2.139 143 H ILE 19 HN ILE 19 1.649 6.131 7.044 144 HA ILE 19 HA ILE 19 2.332 3.305 6.906 145 HB ILE 19 HB ILE 19 0.732 4.670 9.073 146 HG12 ILE 19 HG12 ILE 19 3.727 4.277 8.887 147 HG13 ILE 19 HG11 ILE 19 2.884 5.817 8.867 148 HG21 ILE 19 HG21 ILE 19 1.536 2.768 10.422 149 HG22 ILE 19 HG22 ILE 19 2.325 2.108 8.990 150 HG23 ILE 19 HG23 ILE 19 0.568 2.254 9.042 151 HD11 ILE 19 HD11 ILE 19 2.142 5.451 11.151 152 HD12 ILE 19 HD12 ILE 19 3.900 5.364 11.030 153 HD13 ILE 19 HD13 ILE 19 2.951 3.884 11.171 154 H ILE 20 HN ILE 20 0.989 1.819 6.197 155 HA ILE 20 HA ILE 20 -1.865 2.494 5.916 156 HB ILE 20 HB ILE 20 -0.190 0.878 3.983 157 HG12 ILE 20 HG12 ILE 20 -1.503 3.568 3.566 158 HG13 ILE 20 HG11 ILE 20 0.200 3.356 3.956 159 HG21 ILE 20 HG21 ILE 20 -3.099 1.673 3.878 160 HG22 ILE 20 HG22 ILE 20 -2.464 0.045 4.112 161 HG23 ILE 20 HG23 ILE 20 -2.211 0.877 2.578 162 HD11 ILE 20 HD11 ILE 20 0.541 2.140 1.890 163 HD12 ILE 20 HD12 ILE 20 -0.170 3.721 1.568 164 HD13 ILE 20 HD13 ILE 20 -1.175 2.270 1.510 165 H ALA 21 HN ALA 21 -3.133 1.136 7.007 166 HA ALA 21 HA ALA 21 -2.183 -1.398 7.968 167 HB1 ALA 21 HB1 ALA 21 -4.479 -1.721 8.767 168 HB2 ALA 21 HB2 ALA 21 -4.983 -0.271 7.897 169 HB3 ALA 21 HB3 ALA 21 -3.848 -0.143 9.242 170 H HIS 22 HN HIS 22 -1.555 -2.512 6.141 171 HA HIS 22 HA HIS 22 -3.463 -2.929 4.006 172 HB2 HIS 22 HB2 HIS 22 -1.653 -4.197 2.911 173 HB3 HIS 22 HB1 HIS 22 -1.133 -2.586 3.382 174 HD1 HIS 22 HD1 HIS 22 -0.844 -6.182 4.621 175 HD2 HIS 22 HD2 HIS 22 1.150 -2.533 4.839 176 HE1 HIS 22 HE1 HIS 22 1.336 -6.664 5.782 177 HE2 HIS 22 HE2 HIS 22 2.590 -4.481 5.749 178 H GLU 23 HN GLU 23 -4.199 -4.945 3.341 179 HA GLU 23 HA GLU 23 -4.809 -6.795 5.413 180 HB2 GLU 23 HB2 GLU 23 -5.190 -6.909 2.412 181 HB3 GLU 23 HB1 GLU 23 -5.819 -8.117 3.530 182 HG2 GLU 23 HG2 GLU 23 -7.238 -6.531 4.582 183 HG3 GLU 23 HG1 GLU 23 -6.470 -5.195 3.735 184 H ALA 24 HN ALA 24 -4.504 -9.292 4.247 185 HA ALA 24 HA ALA 24 -1.988 -9.935 5.253 186 HB1 ALA 24 HB1 ALA 24 -3.892 -11.492 5.133 187 HB2 ALA 24 HB2 ALA 24 -2.387 -12.186 4.535 188 HB3 ALA 24 HB3 ALA 24 -3.622 -11.643 3.397 189 H ILE 25 HN ILE 25 -2.929 -9.334 1.944 190 HA ILE 25 HA ILE 25 -1.704 -9.020 0.041 191 HB ILE 25 HB ILE 25 0.733 -9.110 1.839 192 HG12 ILE 25 HG12 ILE 25 -0.885 -6.750 0.846 193 HG13 ILE 25 HG11 ILE 25 -0.782 -7.315 2.509 194 HG21 ILE 25 HG21 ILE 25 1.832 -7.893 -0.004 195 HG22 ILE 25 HG22 ILE 25 0.377 -8.092 -0.981 196 HG23 ILE 25 HG23 ILE 25 1.302 -9.507 -0.479 197 HD11 ILE 25 HD11 ILE 25 0.611 -5.367 2.188 198 HD12 ILE 25 HD12 ILE 25 1.475 -6.173 0.880 199 HD13 ILE 25 HD13 ILE 25 1.608 -6.780 2.530 200 HA PRO 26 HA PRO 26 -1.007 -13.545 -0.260 201 HB2 PRO 26 HB2 PRO 26 -2.312 -13.195 -2.860 202 HB3 PRO 26 HB1 PRO 26 -2.779 -14.226 -1.505 203 HG2 PRO 26 HG2 PRO 26 -4.193 -12.037 -2.205 204 HG3 PRO 26 HG1 PRO 26 -4.054 -12.577 -0.521 205 HD2 PRO 26 HD2 PRO 26 -2.578 -10.383 -1.936 206 HD3 PRO 26 HD1 PRO 26 -3.277 -10.394 -0.303 207 H SER 27 HN SER 27 0.060 -10.831 -1.932 208 HA SER 27 HA SER 27 1.598 -12.277 -3.908 209 HB2 SER 27 HB2 SER 27 1.652 -9.339 -3.184 210 HB3 SER 27 HB1 SER 27 2.359 -10.076 -4.621 211 HG SER 27 HG SER 27 0.060 -10.844 -4.962 212 H ALA 28 HN ALA 28 1.989 -11.275 -0.657 213 HA ALA 28 HA ALA 28 4.907 -11.619 -0.902 214 HB1 ALA 28 HB1 ALA 28 5.218 -10.009 0.894 215 HB2 ALA 28 HB2 ALA 28 3.473 -9.777 1.002 216 HB3 ALA 28 HB3 ALA 28 4.338 -9.287 -0.452 217 H GLN 29 HN GLN 29 2.127 -12.932 0.354 218 HA GLN 29 HA GLN 29 1.638 -14.460 1.958 219 HB2 GLN 29 HB2 GLN 29 4.524 -14.959 1.417 220 HB3 GLN 29 HB1 GLN 29 3.804 -15.743 2.814 221 HG2 GLN 29 HG2 GLN 29 3.850 -17.068 0.667 222 HG3 GLN 29 HG1 GLN 29 2.293 -16.962 1.489 223 HE21 GLN 29 HE21 GLN 29 4.178 -15.908 -1.239 224 HE22 GLN 29 HE22 GLN 29 2.845 -15.339 -2.194 225 H TRP 30 HN TRP 30 1.729 -11.946 2.804 226 HA TRP 30 HA TRP 30 3.123 -11.966 5.385 227 HB2 TRP 30 HB2 TRP 30 2.135 -9.744 3.624 228 HB3 TRP 30 HB1 TRP 30 2.388 -9.472 5.344 229 HD1 TRP 30 HD1 TRP 30 5.013 -11.796 4.360 230 HE1 TRP 30 HE1 TRP 30 7.223 -10.566 3.858 231 HE3 TRP 30 HE3 TRP 30 3.210 -7.026 4.009 232 HZ2 TRP 30 HZ2 TRP 30 8.077 -7.920 3.382 233 HZ3 TRP 30 HZ3 TRP 30 4.789 -5.202 3.530 234 HH2 TRP 30 HH2 TRP 30 7.170 -5.641 3.224 235 H GLY 31 HN GLY 31 1.858 -10.667 7.079 236 HA2 GLY 31 HA2 GLY 31 -0.962 -11.503 7.000 237 HA3 GLY 31 HA1 GLY 31 -0.051 -11.173 8.469 238 H ALA 32 HN ALA 32 -2.502 -9.986 7.976 239 HA ALA 32 HA ALA 32 -2.267 -7.373 6.890 240 HB1 ALA 32 HB1 ALA 32 -4.427 -6.949 7.950 241 HB2 ALA 32 HB2 ALA 32 -4.275 -8.442 8.875 242 HB3 ALA 32 HB3 ALA 32 -4.427 -8.505 7.118 243 H MET 33 HN MET 33 -1.363 -5.616 7.756 244 HA MET 33 HA MET 33 -1.257 -5.114 10.556 245 HB2 MET 33 HB2 MET 33 1.355 -5.075 10.501 246 HB3 MET 33 HB1 MET 33 0.501 -6.572 10.844 247 HG2 MET 33 HG2 MET 33 0.942 -7.451 8.738 248 HG3 MET 33 HG1 MET 33 1.346 -5.882 8.058 249 HE1 MET 33 HE1 MET 33 3.497 -6.994 6.928 250 HE2 MET 33 HE2 MET 33 3.071 -8.547 7.648 251 HE3 MET 33 HE3 MET 33 4.706 -7.911 7.830 252 H THR 34 HN THR 34 -0.352 -3.129 11.106 253 HA THR 34 HA THR 34 -0.610 -1.147 9.055 254 HB THR 34 HB THR 34 0.469 -0.450 11.742 255 HG1 THR 34 HG1 THR 34 -1.324 -1.040 12.815 256 HG21 THR 34 HG21 THR 34 -0.176 1.270 10.115 257 HG22 THR 34 HG22 THR 34 -1.184 1.340 11.560 258 HG23 THR 34 HG23 THR 34 -1.814 0.619 10.079 259 H MET 35 HN MET 35 1.050 -0.920 7.656 260 HA MET 35 HA MET 35 3.773 -0.754 8.764 261 HB2 MET 35 HB2 MET 35 3.559 -2.918 7.732 262 HB3 MET 35 HB1 MET 35 2.878 -2.206 6.277 263 HG2 MET 35 HG2 MET 35 4.941 -1.294 5.627 264 HG3 MET 35 HG1 MET 35 5.653 -1.565 7.218 265 HE1 MET 35 HE1 MET 35 4.784 -4.418 7.995 266 HE2 MET 35 HE2 MET 35 6.449 -3.851 8.126 267 HE3 MET 35 HE3 MET 35 6.102 -5.399 7.350 268 H GLU 36 HN GLU 36 5.203 0.638 7.749 269 HA GLU 36 HA GLU 36 3.967 2.838 6.319 270 HB2 GLU 36 HB2 GLU 36 5.466 3.360 8.160 271 HB3 GLU 36 HB1 GLU 36 6.762 2.441 7.410 272 HG2 GLU 36 HG2 GLU 36 6.713 4.055 5.512 273 HG3 GLU 36 HG1 GLU 36 5.546 5.011 6.427 274 H PHE 37 HN PHE 37 4.263 3.335 4.227 275 HA PHE 37 HA PHE 37 6.152 1.693 2.653 276 HB2 PHE 37 HB2 PHE 37 3.492 2.896 1.851 277 HB3 PHE 37 HB1 PHE 37 4.631 2.189 0.707 278 HD1 PHE 37 HD1 PHE 37 2.288 1.496 3.443 279 HD2 PHE 37 HD2 PHE 37 4.932 -0.186 0.564 280 HE1 PHE 37 HE1 PHE 37 1.312 -0.723 3.846 281 HE2 PHE 37 HE2 PHE 37 3.956 -2.409 0.963 282 HZ PHE 37 HZ PHE 37 2.144 -2.678 2.605 283 H ALA 38 HN ALA 38 7.540 2.729 1.286 284 HA ALA 38 HA ALA 38 7.873 5.584 1.709 285 HB1 ALA 38 HB1 ALA 38 9.553 3.646 0.116 286 HB2 ALA 38 HB2 ALA 38 9.825 4.108 1.796 287 HB3 ALA 38 HB3 ALA 38 9.983 5.309 0.514 288 H ALA 39 HN ALA 39 7.454 7.155 0.259 289 HA ALA 39 HA ALA 39 5.990 6.356 -2.140 290 HB1 ALA 39 HB1 ALA 39 5.252 8.685 -2.222 291 HB2 ALA 39 HB2 ALA 39 6.317 9.077 -0.872 292 HB3 ALA 39 HB3 ALA 39 4.955 7.984 -0.631 293 HA PRO 40 HA PRO 40 9.274 7.509 -4.943 294 HB2 PRO 40 HB2 PRO 40 7.165 8.393 -6.798 295 HB3 PRO 40 HB1 PRO 40 8.354 7.100 -6.989 296 HG2 PRO 40 HG2 PRO 40 5.740 6.589 -6.601 297 HG3 PRO 40 HG1 PRO 40 7.013 5.535 -5.957 298 HD2 PRO 40 HD2 PRO 40 5.369 7.607 -4.551 299 HD3 PRO 40 HD1 PRO 40 5.879 6.000 -3.988 300 HA PRO 41 HA PRO 41 9.873 11.866 -4.545 301 HB2 PRO 41 HB2 PRO 41 11.088 12.475 -6.930 302 HB3 PRO 41 HB1 PRO 41 11.908 11.725 -5.557 303 HG2 PRO 41 HG2 PRO 41 10.779 10.450 -8.017 304 HG3 PRO 41 HG1 PRO 41 12.305 10.110 -7.180 305 HD2 PRO 41 HD2 PRO 41 10.162 8.527 -6.885 306 HD3 PRO 41 HD1 PRO 41 11.267 8.853 -5.533 307 H ALA 42 HN ALA 42 7.782 10.611 -6.862 308 HA ALA 42 HA ALA 42 7.030 13.118 -8.078 309 HB1 ALA 42 HB1 ALA 42 5.326 11.817 -9.227 310 HB2 ALA 42 HB2 ALA 42 5.682 10.424 -8.206 311 HB3 ALA 42 HB3 ALA 42 6.896 11.020 -9.336 312 H GLY 43 HN GLY 43 6.272 11.435 -5.210 313 HA2 GLY 43 HA2 GLY 43 5.042 12.329 -3.444 314 HA3 GLY 43 HA1 GLY 43 4.277 13.441 -4.567 315 H LEU 44 HN LEU 44 2.581 12.499 -2.953 316 HA LEU 44 HA LEU 44 1.358 10.092 -4.085 317 HB2 LEU 44 HB2 LEU 44 0.748 11.544 -1.509 318 HB3 LEU 44 HB1 LEU 44 -0.089 10.118 -2.074 319 HG LEU 44 HG LEU 44 1.386 9.333 -0.449 320 HD11 LEU 44 HD11 LEU 44 2.776 8.945 -3.091 321 HD12 LEU 44 HD12 LEU 44 1.437 7.983 -2.462 322 HD13 LEU 44 HD13 LEU 44 3.002 7.958 -1.648 323 HD21 LEU 44 HD21 LEU 44 3.765 9.900 -0.341 324 HD22 LEU 44 HD22 LEU 44 2.741 11.326 -0.179 325 HD23 LEU 44 HD23 LEU 44 3.561 11.001 -1.706 326 HA PRO 45 HA PRO 45 -2.068 12.522 -5.683 327 HB2 PRO 45 HB2 PRO 45 -3.710 10.168 -5.683 328 HB3 PRO 45 HB1 PRO 45 -2.917 10.943 -7.057 329 HG2 PRO 45 HG2 PRO 45 -2.248 8.464 -6.072 330 HG3 PRO 45 HG1 PRO 45 -1.160 9.499 -7.012 331 HD2 PRO 45 HD2 PRO 45 -1.279 9.061 -4.056 332 HD3 PRO 45 HD1 PRO 45 0.132 9.282 -5.112 333 H GLN 46 HN GLN 46 -4.650 12.026 -5.295 334 HA GLN 46 HA GLN 46 -5.041 12.191 -2.390 335 HB2 GLN 46 HB2 GLN 46 -6.911 13.686 -2.807 336 HB3 GLN 46 HB1 GLN 46 -5.451 14.334 -3.532 337 HG2 GLN 46 HG2 GLN 46 -7.566 12.828 -5.042 338 HG3 GLN 46 HG1 GLN 46 -7.497 14.582 -4.915 339 HE21 GLN 46 HE21 GLN 46 -6.221 11.764 -6.422 340 HE22 GLN 46 HE22 GLN 46 -5.184 12.576 -7.551 341 H GLY 47 HN GLY 47 -7.432 11.699 -1.833 342 HA2 GLY 47 HA2 GLY 47 -9.247 10.244 -1.931 343 HA3 GLY 47 HA1 GLY 47 -8.655 9.653 -3.478 344 H LEU 48 HN LEU 48 -6.295 9.769 -1.099 345 HA LEU 48 HA LEU 48 -6.686 7.018 -0.254 346 HB2 LEU 48 HB2 LEU 48 -4.151 6.798 -0.754 347 HB3 LEU 48 HB1 LEU 48 -5.310 6.616 -2.053 348 HG LEU 48 HG LEU 48 -4.850 9.184 -2.395 349 HD11 LEU 48 HD11 LEU 48 -3.402 9.453 -0.460 350 HD12 LEU 48 HD12 LEU 48 -2.528 9.773 -1.958 351 HD13 LEU 48 HD13 LEU 48 -2.294 8.246 -1.110 352 HD21 LEU 48 HD21 LEU 48 -2.954 7.018 -3.272 353 HD22 LEU 48 HD22 LEU 48 -3.147 8.595 -4.036 354 HD23 LEU 48 HD23 LEU 48 -4.481 7.442 -4.044 355 H LYS 49 HN LYS 49 -7.158 9.211 1.309 356 HA LYS 49 HA LYS 49 -4.716 9.689 2.857 357 HB2 LYS 49 HB2 LYS 49 -6.175 11.442 4.010 358 HB3 LYS 49 HB1 LYS 49 -5.739 11.745 2.337 359 HG2 LYS 49 HG2 LYS 49 -7.979 12.336 2.455 360 HG3 LYS 49 HG1 LYS 49 -8.007 10.722 1.749 361 HD2 LYS 49 HD2 LYS 49 -8.434 9.821 4.053 362 HD3 LYS 49 HD1 LYS 49 -8.614 11.491 4.599 363 HE2 LYS 49 HE2 LYS 49 -10.275 10.104 2.496 364 HE3 LYS 49 HE1 LYS 49 -10.784 10.501 4.136 365 HZ1 LYS 49 HZ1 LYS 49 -10.661 12.809 3.651 366 HZ2 LYS 49 HZ2 LYS 49 -11.561 12.080 2.408 367 HZ3 LYS 49 HZ3 LYS 49 -9.949 12.527 2.141 368 H ALA 50 HN ALA 50 -5.175 9.914 5.324 369 HA ALA 50 HA ALA 50 -5.674 7.419 6.385 370 HB1 ALA 50 HB1 ALA 50 -4.518 9.215 7.581 371 HB2 ALA 50 HB2 ALA 50 -5.807 8.510 8.556 372 HB3 ALA 50 HB3 ALA 50 -6.047 10.071 7.771 373 H GLY 51 HN GLY 51 -7.465 6.296 6.102 374 HA2 GLY 51 HA2 GLY 51 -9.728 6.047 7.117 375 HA3 GLY 51 HA1 GLY 51 -10.058 7.653 6.483 376 H ASP 52 HN ASP 52 -8.313 6.698 4.083 377 HA ASP 52 HA ASP 52 -10.564 5.631 2.579 378 HB2 ASP 52 HB2 ASP 52 -7.880 6.737 1.793 379 HB3 ASP 52 HB1 ASP 52 -8.849 5.823 0.646 380 H ARG 53 HN ARG 53 -10.385 3.805 1.226 381 HA ARG 53 HA ARG 53 -8.262 1.921 1.981 382 HB2 ARG 53 HB2 ARG 53 -10.734 1.403 2.562 383 HB3 ARG 53 HB1 ARG 53 -10.915 1.107 0.838 384 HG2 ARG 53 HG2 ARG 53 -9.313 -0.654 0.897 385 HG3 ARG 53 HG1 ARG 53 -8.888 -0.268 2.567 386 HD2 ARG 53 HD2 ARG 53 -11.204 -0.818 3.235 387 HD3 ARG 53 HD1 ARG 53 -11.536 -1.303 1.572 388 HE ARG 53 HE ARG 53 -9.577 -2.929 2.008 389 HH11 ARG 53 HH11 ARG 53 -11.926 -1.903 4.379 390 HH12 ARG 53 HH12 ARG 53 -11.830 -3.365 5.307 391 HH21 ARG 53 HH21 ARG 53 -9.456 -4.875 3.179 392 HH22 ARG 53 HH22 ARG 53 -10.461 -5.089 4.595 393 H VAL 54 HN VAL 54 -6.900 1.445 0.371 394 HA VAL 54 HA VAL 54 -7.775 1.967 -2.387 395 HB VAL 54 HB VAL 54 -5.441 2.882 -2.805 396 HG11 VAL 54 HG11 VAL 54 -7.297 4.426 -0.992 397 HG12 VAL 54 HG12 VAL 54 -7.407 4.319 -2.749 398 HG13 VAL 54 HG13 VAL 54 -6.032 5.129 -1.999 399 HG21 VAL 54 HG21 VAL 54 -5.468 3.146 0.201 400 HG22 VAL 54 HG22 VAL 54 -4.247 3.792 -0.897 401 HG23 VAL 54 HG23 VAL 54 -4.440 2.048 -0.721 402 H ALA 55 HN ALA 55 -6.386 1.000 -4.018 403 HA ALA 55 HA ALA 55 -5.130 -1.493 -3.067 404 HB1 ALA 55 HB1 ALA 55 -6.416 -0.967 -5.748 405 HB2 ALA 55 HB2 ALA 55 -7.185 -1.817 -4.407 406 HB3 ALA 55 HB3 ALA 55 -5.752 -2.500 -5.181 407 H PHE 56 HN PHE 56 -2.973 -1.536 -3.309 408 HA PHE 56 HA PHE 56 -1.804 0.190 -5.379 409 HB2 PHE 56 HB2 PHE 56 0.086 0.600 -3.683 410 HB3 PHE 56 HB1 PHE 56 -1.412 1.486 -3.483 411 HD1 PHE 56 HD1 PHE 56 -3.014 0.791 -1.691 412 HD2 PHE 56 HD2 PHE 56 0.888 -0.883 -2.018 413 HE1 PHE 56 HE1 PHE 56 -3.174 -0.032 0.627 414 HE2 PHE 56 HE2 PHE 56 0.730 -1.705 0.300 415 HZ PHE 56 HZ PHE 56 -1.259 -1.229 1.640 416 H SER 57 HN SER 57 0.467 -0.254 -5.818 417 HA SER 57 HA SER 57 1.272 -3.025 -5.260 418 HB2 SER 57 HB2 SER 57 2.466 -2.907 -7.505 419 HB3 SER 57 HB1 SER 57 0.706 -2.983 -7.585 420 HG SER 57 HG SER 57 1.541 -1.380 -8.978 421 H PHE 58 HN PHE 58 3.404 -3.306 -4.671 422 HA PHE 58 HA PHE 58 5.081 -0.907 -4.527 423 HB2 PHE 58 HB2 PHE 58 5.611 -1.259 -2.204 424 HB3 PHE 58 HB1 PHE 58 3.862 -1.178 -2.358 425 HD1 PHE 58 HD1 PHE 58 2.652 -3.493 -2.600 426 HD2 PHE 58 HD2 PHE 58 6.554 -2.970 -0.988 427 HE1 PHE 58 HE1 PHE 58 2.457 -5.650 -1.437 428 HE2 PHE 58 HE2 PHE 58 6.364 -5.129 0.177 429 HZ PHE 58 HZ PHE 58 4.318 -6.473 -0.054 430 H ARG 59 HN ARG 59 7.335 -1.357 -4.259 431 HA ARG 59 HA ARG 59 8.036 -4.055 -5.202 432 HB2 ARG 59 HB2 ARG 59 9.740 -1.558 -5.260 433 HB3 ARG 59 HB1 ARG 59 10.128 -3.105 -5.994 434 HG2 ARG 59 HG2 ARG 59 8.126 -2.817 -7.461 435 HG3 ARG 59 HG1 ARG 59 7.967 -1.182 -6.812 436 HD2 ARG 59 HD2 ARG 59 10.224 -2.331 -8.435 437 HD3 ARG 59 HD1 ARG 59 9.160 -0.991 -8.851 438 HE ARG 59 HE ARG 59 10.792 -0.602 -6.488 439 HH11 ARG 59 HH11 ARG 59 10.387 -0.049 -9.911 440 HH12 ARG 59 HH12 ARG 59 11.611 1.178 -9.993 441 HH21 ARG 59 HH21 ARG 59 12.421 0.999 -6.575 442 HH22 ARG 59 HH22 ARG 59 12.784 1.763 -8.096 443 H LEU 60 HN LEU 60 9.055 -5.387 -3.885 444 HA LEU 60 HA LEU 60 10.147 -4.347 -1.378 445 HB2 LEU 60 HB2 LEU 60 9.097 -6.940 -2.267 446 HB3 LEU 60 HB1 LEU 60 10.504 -7.035 -1.232 447 HG LEU 60 HG LEU 60 7.893 -5.686 -0.541 448 HD11 LEU 60 HD11 LEU 60 9.189 -8.201 0.492 449 HD12 LEU 60 HD12 LEU 60 7.769 -8.121 -0.554 450 HD13 LEU 60 HD13 LEU 60 7.692 -7.488 1.091 451 HD21 LEU 60 HD21 LEU 60 9.782 -4.524 0.465 452 HD22 LEU 60 HD22 LEU 60 10.416 -6.052 1.074 453 HD23 LEU 60 HD23 LEU 60 8.886 -5.424 1.691 454 H ASP 61 HN ASP 61 12.146 -3.685 -1.582 455 HA ASP 61 HA ASP 61 13.989 -4.984 -3.385 456 HB2 ASP 61 HB2 ASP 61 14.394 -2.729 -1.414 457 HB3 ASP 61 HB1 ASP 61 15.664 -3.364 -2.441 458 HA PRO 62 HA PRO 62 15.579 -8.077 -1.018 459 HB2 PRO 62 HB2 PRO 62 18.386 -7.175 -1.145 460 HB3 PRO 62 HB1 PRO 62 17.632 -8.609 -1.851 461 HG2 PRO 62 HG2 PRO 62 18.403 -6.539 -3.372 462 HG3 PRO 62 HG1 PRO 62 16.943 -7.474 -3.748 463 HD2 PRO 62 HD2 PRO 62 17.189 -4.801 -2.399 464 HD3 PRO 62 HD1 PRO 62 16.024 -5.330 -3.630 465 H HIS 63 HN HIS 63 16.431 -4.953 0.116 466 HA HIS 63 HA HIS 63 17.702 -5.785 2.556 467 HB2 HIS 63 HB2 HIS 63 17.873 -3.525 1.233 468 HB3 HIS 63 HB1 HIS 63 16.454 -3.089 2.170 469 HD1 HIS 63 HD1 HIS 63 16.774 -2.935 4.801 470 HD2 HIS 63 HD2 HIS 63 20.262 -3.426 2.580 471 HE1 HIS 63 HE1 HIS 63 18.661 -2.334 6.348 472 HE2 HIS 63 HE2 HIS 63 20.751 -2.508 4.946 473 H GLY 64 HN GLY 64 14.503 -5.529 1.452 474 HA2 GLY 64 HA2 GLY 64 12.608 -6.198 2.732 475 HA3 GLY 64 HA1 GLY 64 13.474 -5.751 4.197 476 H MET 65 HN MET 65 13.375 -3.757 1.349 477 HA MET 65 HA MET 65 12.067 -1.667 2.913 478 HB2 MET 65 HB2 MET 65 13.643 -1.592 0.340 479 HB3 MET 65 HB1 MET 65 12.768 -0.199 0.967 480 HG2 MET 65 HG2 MET 65 14.949 -1.674 2.408 481 HG3 MET 65 HG1 MET 65 15.152 -0.155 1.537 482 HE1 MET 65 HE1 MET 65 16.247 0.889 3.735 483 HE2 MET 65 HE2 MET 65 15.999 -0.624 4.608 484 HE3 MET 65 HE3 MET 65 15.456 0.900 5.310 485 H ALA 66 HN ALA 66 10.167 -0.782 2.370 486 HA ALA 66 HA ALA 66 8.668 -2.206 0.282 487 HB1 ALA 66 HB1 ALA 66 7.835 -2.621 2.557 488 HB2 ALA 66 HB2 ALA 66 6.649 -1.753 1.579 489 HB3 ALA 66 HB3 ALA 66 7.604 -0.887 2.783 490 H THR 67 HN THR 67 8.857 -0.932 -1.439 491 HA THR 67 HA THR 67 8.508 1.954 -1.070 492 HB THR 67 HB THR 67 9.637 0.736 -3.565 493 HG1 THR 67 HG1 THR 67 11.172 -0.080 -2.301 494 HG21 THR 67 HG21 THR 67 10.154 3.303 -2.072 495 HG22 THR 67 HG22 THR 67 9.098 3.134 -3.474 496 HG23 THR 67 HG23 THR 67 10.833 2.862 -3.642 497 H LEU 68 HN LEU 68 6.628 2.742 -1.651 498 HA LEU 68 HA LEU 68 4.679 1.203 -3.052 499 HB2 LEU 68 HB2 LEU 68 4.224 2.921 -1.266 500 HB3 LEU 68 HB1 LEU 68 4.650 4.152 -2.437 501 HG LEU 68 HG LEU 68 2.771 3.478 -3.855 502 HD11 LEU 68 HD11 LEU 68 2.133 1.562 -1.617 503 HD12 LEU 68 HD12 LEU 68 2.687 1.120 -3.232 504 HD13 LEU 68 HD13 LEU 68 1.117 1.895 -3.020 505 HD21 LEU 68 HD21 LEU 68 2.031 4.043 -0.986 506 HD22 LEU 68 HD22 LEU 68 0.981 4.284 -2.383 507 HD23 LEU 68 HD23 LEU 68 2.452 5.240 -2.212 508 H VAL 69 HN VAL 69 3.943 1.415 -5.132 509 HA VAL 69 HA VAL 69 5.657 3.040 -6.907 510 HB VAL 69 HB VAL 69 4.085 0.556 -7.619 511 HG11 VAL 69 HG11 VAL 69 4.401 2.092 -9.490 512 HG12 VAL 69 HG12 VAL 69 5.343 0.616 -9.708 513 HG13 VAL 69 HG13 VAL 69 6.140 2.105 -9.193 514 HG21 VAL 69 HG21 VAL 69 5.918 0.014 -6.104 515 HG22 VAL 69 HG22 VAL 69 7.048 0.872 -7.154 516 HG23 VAL 69 HG23 VAL 69 6.240 -0.586 -7.733 517 H THR 70 HN THR 70 2.433 1.567 -6.888 518 HA THR 70 HA THR 70 1.260 4.092 -7.745 519 HB THR 70 HB THR 70 -0.084 2.882 -9.510 520 HG1 THR 70 HG1 THR 70 1.494 0.812 -8.622 521 HG21 THR 70 HG21 THR 70 1.662 3.013 -11.219 522 HG22 THR 70 HG22 THR 70 2.895 3.036 -9.958 523 HG23 THR 70 HG23 THR 70 1.758 4.377 -10.106 524 H VAL 71 HN VAL 71 -0.767 4.386 -6.991 525 HA VAL 71 HA VAL 71 -2.142 2.077 -5.816 526 HB VAL 71 HB VAL 71 -1.052 3.200 -3.958 527 HG11 VAL 71 HG11 VAL 71 -1.579 5.503 -3.353 528 HG12 VAL 71 HG12 VAL 71 -2.528 5.673 -4.829 529 HG13 VAL 71 HG13 VAL 71 -0.785 5.415 -4.926 530 HG21 VAL 71 HG21 VAL 71 -3.212 2.239 -3.519 531 HG22 VAL 71 HG22 VAL 71 -4.016 3.713 -4.059 532 HG23 VAL 71 HG23 VAL 71 -3.037 3.730 -2.591 533 H ALA 72 HN ALA 72 -4.266 1.999 -6.231 534 HA ALA 72 HA ALA 72 -5.504 4.371 -7.464 535 HB1 ALA 72 HB1 ALA 72 -4.952 2.783 -9.221 536 HB2 ALA 72 HB2 ALA 72 -6.700 2.864 -9.003 537 HB3 ALA 72 HB3 ALA 72 -5.795 1.499 -8.351 538 HA PRO 73 HA PRO 73 -8.738 4.128 -4.477 539 HB2 PRO 73 HB2 PRO 73 -10.440 4.465 -6.918 540 HB3 PRO 73 HB1 PRO 73 -10.535 5.297 -5.359 541 HG2 PRO 73 HG2 PRO 73 -9.417 6.524 -7.416 542 HG3 PRO 73 HG1 PRO 73 -8.648 6.613 -5.817 543 HD2 PRO 73 HD2 PRO 73 -7.880 4.978 -8.199 544 HD3 PRO 73 HD1 PRO 73 -6.846 5.783 -7.001 545 H GLN 74 HN GLN 74 -9.361 2.314 -3.597 546 HA GLN 74 HA GLN 74 -10.959 0.446 -5.216 547 HB2 GLN 74 HB2 GLN 74 -10.351 -1.355 -3.798 548 HB3 GLN 74 HB1 GLN 74 -8.841 -0.521 -4.141 549 HG2 GLN 74 HG2 GLN 74 -8.598 0.216 -2.018 550 HG3 GLN 74 HG1 GLN 74 -10.334 0.311 -1.731 551 HE21 GLN 74 HE21 GLN 74 -7.539 -1.719 -1.715 552 HE22 GLN 74 HE22 GLN 74 -8.252 -3.031 -0.850 553 H VAL 75 HN VAL 75 -12.551 -0.714 -3.560 554 HA VAL 75 HA VAL 75 -13.366 1.081 -1.463 555 HB VAL 75 HB VAL 75 -14.579 2.153 -3.171 556 HG11 VAL 75 HG11 VAL 75 -14.414 0.543 -4.930 557 HG12 VAL 75 HG12 VAL 75 -16.109 0.983 -4.707 558 HG13 VAL 75 HG13 VAL 75 -15.507 -0.556 -4.087 559 HG21 VAL 75 HG21 VAL 75 -16.477 0.271 -1.777 560 HG22 VAL 75 HG22 VAL 75 -16.914 1.796 -2.548 561 HG23 VAL 75 HG23 VAL 75 -15.857 1.793 -1.136 562 H GLN 76 HN GLN 76 -12.754 -0.580 -0.184 563 HA GLN 76 HA GLN 76 -13.089 -2.312 1.213 564 HB2 GLN 76 HB2 GLN 76 -15.864 -2.171 0.059 565 HB3 GLN 76 HB1 GLN 76 -15.421 -3.262 1.368 566 HG2 GLN 76 HG2 GLN 76 -15.150 -0.265 1.449 567 HG3 GLN 76 HG1 GLN 76 -16.483 -1.184 2.151 568 HE21 GLN 76 HE21 GLN 76 -14.810 -3.368 3.031 569 HE22 GLN 76 HE22 GLN 76 -13.945 -2.789 4.416 570 H THR 77 HN THR 77 -11.944 -4.025 0.834 571 HA THR 77 HA THR 77 -10.979 -5.800 -0.156 572 HB THR 77 HB THR 77 -12.608 -7.554 -1.083 573 HG1 THR 77 HG1 THR 77 -14.321 -5.628 -1.003 574 HG21 THR 77 HG21 THR 77 -13.264 -8.232 1.177 575 HG22 THR 77 HG22 THR 77 -12.857 -6.624 1.774 576 HG23 THR 77 HG23 THR 77 -11.591 -7.670 1.129 577 H ALA 78 HN ALA 78 -11.263 -3.467 -1.747 578 HA ALA 78 HA ALA 78 -10.743 -2.700 -3.795 579 HB1 ALA 78 HB1 ALA 78 -10.330 -5.556 -4.632 580 HB2 ALA 78 HB2 ALA 78 -9.129 -4.581 -3.785 581 HB3 ALA 78 HB3 ALA 78 -9.677 -4.104 -5.393 582 H GLY 79 HN GLY 79 -12.259 -5.754 -4.760 583 HA2 GLY 79 HA2 GLY 79 -14.777 -4.816 -5.403 584 HA3 GLY 79 HA1 GLY 79 -13.770 -4.496 -6.809 585 H ALA 80 HN ALA 80 -15.053 -5.991 -8.005 586 HA ALA 80 HA ALA 80 -15.066 -8.766 -7.160 587 HB1 ALA 80 HB1 ALA 80 -16.496 -9.146 -9.084 588 HB2 ALA 80 HB2 ALA 80 -16.204 -7.502 -9.650 589 HB3 ALA 80 HB3 ALA 80 -17.084 -7.772 -8.145 590 H LYS 81 HN LYS 81 -13.644 -10.231 -7.781 591 HA LYS 81 HA LYS 81 -11.901 -9.621 -10.080 592 HB2 LYS 81 HB2 LYS 81 -10.791 -9.985 -7.864 593 HB3 LYS 81 HB1 LYS 81 -11.439 -11.620 -7.855 594 HG2 LYS 81 HG2 LYS 81 -10.203 -12.044 -9.982 595 HG3 LYS 81 HG1 LYS 81 -9.443 -10.463 -9.790 596 HD2 LYS 81 HD2 LYS 81 -7.940 -12.118 -8.938 597 HD3 LYS 81 HD1 LYS 81 -8.595 -11.224 -7.566 598 HE2 LYS 81 HE2 LYS 81 -10.203 -13.023 -7.166 599 HE3 LYS 81 HE1 LYS 81 -9.558 -13.913 -8.542 600 HZ1 LYS 81 HZ1 LYS 81 -8.090 -13.212 -6.054 601 HZ2 LYS 81 HZ2 LYS 81 -7.407 -14.000 -7.392 602 HZ3 LYS 81 HZ3 LYS 81 -8.633 -14.755 -6.499 603 HA PRO 82 HA PRO 82 -14.141 -12.829 -12.198 604 HB2 PRO 82 HB2 PRO 82 -12.492 -13.016 -14.357 605 HB3 PRO 82 HB1 PRO 82 -13.673 -11.720 -14.147 606 HG2 PRO 82 HG2 PRO 82 -10.730 -11.707 -13.623 607 HG3 PRO 82 HG1 PRO 82 -11.743 -10.454 -14.362 608 HD2 PRO 82 HD2 PRO 82 -10.918 -10.342 -11.783 609 HD3 PRO 82 HD1 PRO 82 -12.464 -9.660 -12.327 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 13.536 -8.040 -9.294 2 H2 GLY 1 HT2 GLY 1 14.760 -7.014 -8.729 3 H3 GLY 1 HT3 GLY 1 13.628 -6.442 -9.855 4 HA2 GLY 1 HA1 GLY 1 13.158 -7.151 -7.021 5 HA3 GLY 1 HA2 GLY 1 13.028 -5.559 -7.756 6 HA PRO 2 HA PRO 2 9.201 -8.364 -8.786 7 HB2 PRO 2 HB2 PRO 2 8.293 -9.623 -6.569 8 HB3 PRO 2 HB1 PRO 2 9.445 -10.363 -7.686 9 HG2 PRO 2 HG2 PRO 2 9.930 -9.061 -5.045 10 HG3 PRO 2 HG1 PRO 2 10.678 -10.510 -5.737 11 HD2 PRO 2 HD2 PRO 2 11.861 -8.043 -5.701 12 HD3 PRO 2 HD1 PRO 2 12.222 -9.296 -6.900 13 H GLU 3 HN GLU 3 7.303 -7.370 -8.786 14 HA GLU 3 HA GLU 3 6.844 -5.286 -6.766 15 HB2 GLU 3 HB2 GLU 3 7.082 -4.537 -9.095 16 HB3 GLU 3 HB1 GLU 3 5.773 -5.605 -9.579 17 HG2 GLU 3 HG2 GLU 3 4.259 -4.302 -8.090 18 HG3 GLU 3 HG1 GLU 3 5.590 -3.174 -7.822 19 H HIS 4 HN HIS 4 5.423 -5.866 -5.240 20 HA HIS 4 HA HIS 4 3.448 -7.945 -5.885 21 HB2 HIS 4 HB2 HIS 4 4.194 -6.935 -3.136 22 HB3 HIS 4 HB1 HIS 4 3.321 -8.407 -3.535 23 HD1 HIS 4 HD1 HIS 4 4.790 -10.392 -4.586 24 HD2 HIS 4 HD2 HIS 4 6.929 -7.155 -3.062 25 HE1 HIS 4 HE1 HIS 4 7.156 -11.198 -4.320 26 HE2 HIS 4 HE2 HIS 4 8.411 -9.269 -3.288 27 H ARG 5 HN ARG 5 1.266 -7.603 -5.533 28 HA ARG 5 HA ARG 5 0.447 -4.816 -5.280 29 HB2 ARG 5 HB2 ARG 5 -1.069 -7.323 -6.036 30 HB3 ARG 5 HB1 ARG 5 -1.823 -5.740 -5.877 31 HG2 ARG 5 HG2 ARG 5 0.463 -6.312 -7.752 32 HG3 ARG 5 HG1 ARG 5 -1.237 -6.423 -8.217 33 HD2 ARG 5 HD2 ARG 5 -1.565 -4.157 -8.077 34 HD3 ARG 5 HD1 ARG 5 -0.263 -3.929 -6.913 35 HE ARG 5 HE ARG 5 1.147 -4.615 -9.043 36 HH11 ARG 5 HH11 ARG 5 -1.667 -2.525 -8.917 37 HH12 ARG 5 HH12 ARG 5 -1.059 -1.423 -10.121 38 HH21 ARG 5 HH21 ARG 5 1.964 -3.150 -10.609 39 HH22 ARG 5 HH22 ARG 5 0.991 -1.797 -11.095 40 H ALA 6 HN ALA 6 -1.023 -4.085 -3.700 41 HA ALA 6 HA ALA 6 -1.780 -5.955 -1.597 42 HB1 ALA 6 HB1 ALA 6 0.451 -5.194 -0.937 43 HB2 ALA 6 HB2 ALA 6 -0.789 -4.624 0.179 44 HB3 ALA 6 HB3 ALA 6 -0.100 -3.522 -1.013 45 H VAL 7 HN VAL 7 -3.640 -5.404 -0.626 46 HA VAL 7 HA VAL 7 -4.717 -2.712 -1.135 47 HB VAL 7 HB VAL 7 -6.971 -3.689 -0.827 48 HG11 VAL 7 HG11 VAL 7 -6.075 -3.418 -3.064 49 HG12 VAL 7 HG12 VAL 7 -7.070 -4.871 -2.973 50 HG13 VAL 7 HG13 VAL 7 -5.311 -5.007 -2.972 51 HG21 VAL 7 HG21 VAL 7 -7.257 -6.127 -0.871 52 HG22 VAL 7 HG22 VAL 7 -6.386 -5.597 0.568 53 HG23 VAL 7 HG23 VAL 7 -5.507 -6.329 -0.775 54 H GLY 8 HN GLY 8 -5.845 -1.675 0.619 55 HA2 GLY 8 HA2 GLY 8 -6.266 -2.760 3.150 56 HA3 GLY 8 HA1 GLY 8 -4.631 -2.114 3.148 57 H ARG 9 HN ARG 9 -5.719 -0.816 4.907 58 HA ARG 9 HA ARG 9 -7.180 1.485 3.798 59 HB2 ARG 9 HB2 ARG 9 -7.357 0.041 6.395 60 HB3 ARG 9 HB1 ARG 9 -7.597 1.782 6.424 61 HG2 ARG 9 HG2 ARG 9 -9.427 1.613 4.884 62 HG3 ARG 9 HG1 ARG 9 -9.139 -0.121 4.676 63 HD2 ARG 9 HD2 ARG 9 -10.000 1.283 7.205 64 HD3 ARG 9 HD1 ARG 9 -11.000 0.248 6.188 65 HE ARG 9 HE ARG 9 -8.673 -1.124 7.097 66 HH11 ARG 9 HH11 ARG 9 -11.920 -0.162 8.021 67 HH12 ARG 9 HH12 ARG 9 -12.030 -1.325 9.305 68 HH21 ARG 9 HH21 ARG 9 -8.829 -2.653 8.795 69 HH22 ARG 9 HH22 ARG 9 -10.290 -2.733 9.745 70 H ILE 10 HN ILE 10 -6.274 3.407 3.873 71 HA ILE 10 HA ILE 10 -3.584 3.741 4.650 72 HB ILE 10 HB ILE 10 -5.642 5.903 4.226 73 HG12 ILE 10 HG12 ILE 10 -5.604 4.480 2.274 74 HG13 ILE 10 HG11 ILE 10 -4.751 5.973 1.899 75 HG21 ILE 10 HG21 ILE 10 -3.642 6.706 5.313 76 HG22 ILE 10 HG22 ILE 10 -3.700 7.290 3.649 77 HG23 ILE 10 HG23 ILE 10 -2.636 5.949 4.077 78 HD11 ILE 10 HD11 ILE 10 -2.617 4.818 2.261 79 HD12 ILE 10 HD12 ILE 10 -3.577 4.074 0.983 80 HD13 ILE 10 HD13 ILE 10 -3.499 3.323 2.580 81 H GLN 11 HN GLN 11 -2.747 4.099 6.580 82 HA GLN 11 HA GLN 11 -4.501 4.542 8.838 83 HB2 GLN 11 HB2 GLN 11 -2.598 2.927 8.905 84 HB3 GLN 11 HB1 GLN 11 -1.487 4.277 8.736 85 HG2 GLN 11 HG2 GLN 11 -1.554 3.638 11.015 86 HG3 GLN 11 HG1 GLN 11 -2.369 5.193 10.863 87 HE21 GLN 11 HE21 GLN 11 -3.802 2.156 9.915 88 HE22 GLN 11 HE22 GLN 11 -4.997 2.105 11.156 89 H SER 12 HN SER 12 -1.685 6.127 7.371 90 HA SER 12 HA SER 12 -2.852 8.725 7.760 91 HB2 SER 12 HB2 SER 12 -0.257 8.093 9.189 92 HB3 SER 12 HB1 SER 12 -1.060 9.662 9.109 93 HG SER 12 HG SER 12 -2.861 7.993 10.017 94 H ILE 13 HN ILE 13 -1.468 10.430 6.812 95 HA ILE 13 HA ILE 13 0.253 9.346 4.668 96 HB ILE 13 HB ILE 13 -1.267 11.968 4.852 97 HG12 ILE 13 HG12 ILE 13 -1.624 9.615 2.987 98 HG13 ILE 13 HG11 ILE 13 -2.619 9.941 4.398 99 HG21 ILE 13 HG21 ILE 13 0.831 12.319 3.681 100 HG22 ILE 13 HG22 ILE 13 -0.526 12.388 2.554 101 HG23 ILE 13 HG23 ILE 13 0.491 10.946 2.626 102 HD11 ILE 13 HD11 ILE 13 -3.384 12.019 3.398 103 HD12 ILE 13 HD12 ILE 13 -3.701 10.647 2.333 104 HD13 ILE 13 HD13 ILE 13 -2.352 11.730 1.995 105 H GLY 14 HN GLY 14 2.329 10.133 4.459 106 HA2 GLY 14 HA2 GLY 14 3.263 11.857 6.666 107 HA3 GLY 14 HA1 GLY 14 4.212 10.553 5.974 108 H GLU 15 HN GLU 15 5.846 12.208 5.765 109 HA GLU 15 HA GLU 15 5.426 14.346 3.863 110 HB2 GLU 15 HB2 GLU 15 7.966 13.409 5.213 111 HB3 GLU 15 HB1 GLU 15 7.766 14.910 4.320 112 HG2 GLU 15 HG2 GLU 15 6.260 14.203 6.826 113 HG3 GLU 15 HG1 GLU 15 7.726 15.180 6.777 114 H ARG 16 HN ARG 16 7.183 11.294 4.045 115 HA ARG 16 HA ARG 16 7.332 11.260 1.115 116 HB2 ARG 16 HB2 ARG 16 9.692 10.142 1.546 117 HB3 ARG 16 HB1 ARG 16 9.506 11.871 1.338 118 HG2 ARG 16 HG2 ARG 16 10.981 11.522 3.158 119 HG3 ARG 16 HG1 ARG 16 9.452 12.089 3.828 120 HD2 ARG 16 HD2 ARG 16 8.859 9.764 4.381 121 HD3 ARG 16 HD1 ARG 16 10.420 9.230 3.750 122 HE ARG 16 HE ARG 16 10.950 11.193 5.636 123 HH11 ARG 16 HH11 ARG 16 9.422 8.030 5.630 124 HH12 ARG 16 HH12 ARG 16 9.916 7.655 7.257 125 HH21 ARG 16 HH21 ARG 16 11.572 10.700 7.768 126 HH22 ARG 16 HH22 ARG 16 11.119 9.176 8.472 127 H SER 17 HN SER 17 6.227 9.819 3.729 128 HA SER 17 HA SER 17 5.909 7.322 2.337 129 HB2 SER 17 HB2 SER 17 6.561 6.063 4.503 130 HB3 SER 17 HB1 SER 17 7.849 6.626 3.442 131 HG SER 17 HG SER 17 7.009 7.627 5.938 132 H LEU 18 HN LEU 18 4.095 6.202 3.021 133 HA LEU 18 HA LEU 18 2.499 7.612 5.067 134 HB2 LEU 18 HB2 LEU 18 0.988 6.086 3.065 135 HB3 LEU 18 HB1 LEU 18 0.637 7.625 3.798 136 HG LEU 18 HG LEU 18 2.616 7.247 1.555 137 HD11 LEU 18 HD11 LEU 18 0.892 8.196 0.111 138 HD12 LEU 18 HD12 LEU 18 -0.239 8.218 1.466 139 HD13 LEU 18 HD13 LEU 18 0.350 6.681 0.831 140 HD21 LEU 18 HD21 LEU 18 3.024 9.219 2.939 141 HD22 LEU 18 HD22 LEU 18 1.348 9.724 2.719 142 HD23 LEU 18 HD23 LEU 18 2.442 9.672 1.336 143 H ILE 19 HN ILE 19 1.410 6.351 6.537 144 HA ILE 19 HA ILE 19 2.250 3.563 6.614 145 HB ILE 19 HB ILE 19 0.621 4.978 8.723 146 HG12 ILE 19 HG12 ILE 19 3.640 4.789 8.514 147 HG13 ILE 19 HG11 ILE 19 2.693 6.258 8.311 148 HG21 ILE 19 HG21 ILE 19 0.628 2.589 8.941 149 HG22 ILE 19 HG22 ILE 19 1.705 3.247 10.172 150 HG23 ILE 19 HG23 ILE 19 2.376 2.519 8.711 151 HD11 ILE 19 HD11 ILE 19 3.714 6.183 10.499 152 HD12 ILE 19 HD12 ILE 19 2.939 4.634 10.831 153 HD13 ILE 19 HD13 ILE 19 1.957 6.087 10.640 154 H ILE 20 HN ILE 20 0.960 1.943 6.094 155 HA ILE 20 HA ILE 20 -1.915 2.477 5.731 156 HB ILE 20 HB ILE 20 -0.226 0.749 3.914 157 HG12 ILE 20 HG12 ILE 20 -1.296 3.532 3.375 158 HG13 ILE 20 HG11 ILE 20 0.385 3.158 3.725 159 HG21 ILE 20 HG21 ILE 20 -3.055 1.757 3.653 160 HG22 ILE 20 HG22 ILE 20 -2.574 0.108 4.048 161 HG23 ILE 20 HG23 ILE 20 -2.197 0.782 2.462 162 HD11 ILE 20 HD11 ILE 20 -1.176 2.166 1.350 163 HD12 ILE 20 HD12 ILE 20 0.521 1.825 1.694 164 HD13 ILE 20 HD13 ILE 20 0.006 3.476 1.342 165 H ALA 21 HN ALA 21 -2.987 1.207 7.141 166 HA ALA 21 HA ALA 21 -2.033 -1.350 8.004 167 HB1 ALA 21 HB1 ALA 21 -4.808 -0.166 8.144 168 HB2 ALA 21 HB2 ALA 21 -3.572 -0.064 9.399 169 HB3 ALA 21 HB3 ALA 21 -4.271 -1.628 8.973 170 H HIS 22 HN HIS 22 -1.608 -2.589 6.212 171 HA HIS 22 HA HIS 22 -3.631 -2.786 4.140 172 HB2 HIS 22 HB2 HIS 22 -1.975 -4.055 2.861 173 HB3 HIS 22 HB1 HIS 22 -1.312 -2.527 3.421 174 HD1 HIS 22 HD1 HIS 22 -1.257 -6.204 4.445 175 HD2 HIS 22 HD2 HIS 22 1.108 -2.778 4.611 176 HE1 HIS 22 HE1 HIS 22 0.961 -6.945 5.380 177 HE2 HIS 22 HE2 HIS 22 2.414 -4.884 5.353 178 H GLU 23 HN GLU 23 -4.502 -4.699 3.413 179 HA GLU 23 HA GLU 23 -5.343 -6.517 5.415 180 HB2 GLU 23 HB2 GLU 23 -5.554 -6.698 2.408 181 HB3 GLU 23 HB1 GLU 23 -6.451 -7.681 3.554 182 HG2 GLU 23 HG2 GLU 23 -6.642 -4.694 3.336 183 HG3 GLU 23 HG1 GLU 23 -7.756 -5.826 2.577 184 H ALA 24 HN ALA 24 -5.416 -8.931 4.219 185 HA ALA 24 HA ALA 24 -2.806 -9.992 4.647 186 HB1 ALA 24 HB1 ALA 24 -5.234 -11.307 3.438 187 HB2 ALA 24 HB2 ALA 24 -4.799 -11.309 5.148 188 HB3 ALA 24 HB3 ALA 24 -3.772 -12.133 3.974 189 H ILE 25 HN ILE 25 -1.228 -9.715 3.281 190 HA ILE 25 HA ILE 25 -1.730 -9.434 0.419 191 HB ILE 25 HB ILE 25 0.873 -9.216 1.951 192 HG12 ILE 25 HG12 ILE 25 -0.939 -7.033 0.892 193 HG13 ILE 25 HG11 ILE 25 -0.727 -7.454 2.589 194 HG21 ILE 25 HG21 ILE 25 0.171 -8.456 -0.885 195 HG22 ILE 25 HG22 ILE 25 1.191 -9.805 -0.388 196 HG23 ILE 25 HG23 ILE 25 1.718 -8.149 -0.093 197 HD11 ILE 25 HD11 ILE 25 1.416 -6.400 0.757 198 HD12 ILE 25 HD12 ILE 25 1.614 -6.801 2.463 199 HD13 ILE 25 HD13 ILE 25 0.553 -5.477 1.986 200 HA PRO 26 HA PRO 26 -0.591 -13.835 0.299 201 HB2 PRO 26 HB2 PRO 26 -1.872 -13.876 -2.307 202 HB3 PRO 26 HB1 PRO 26 -2.360 -14.701 -0.824 203 HG2 PRO 26 HG2 PRO 26 -3.769 -12.647 -1.929 204 HG3 PRO 26 HG1 PRO 26 -3.767 -13.008 -0.194 205 HD2 PRO 26 HD2 PRO 26 -2.236 -10.918 -1.698 206 HD3 PRO 26 HD1 PRO 26 -3.054 -10.803 -0.124 207 H SER 27 HN SER 27 0.183 -11.175 -1.651 208 HA SER 27 HA SER 27 1.881 -12.606 -3.493 209 HB2 SER 27 HB2 SER 27 2.009 -9.637 -3.019 210 HB3 SER 27 HB1 SER 27 2.262 -10.535 -4.516 211 HG SER 27 HG SER 27 -0.003 -11.013 -4.501 212 H ALA 28 HN ALA 28 2.161 -11.136 -0.374 213 HA ALA 28 HA ALA 28 5.079 -11.538 -0.464 214 HB1 ALA 28 HB1 ALA 28 4.536 -9.159 -0.453 215 HB2 ALA 28 HB2 ALA 28 5.355 -9.639 1.033 216 HB3 ALA 28 HB3 ALA 28 3.611 -9.372 1.033 217 H GLN 29 HN GLN 29 2.318 -12.715 0.786 218 HA GLN 29 HA GLN 29 1.789 -14.107 2.489 219 HB2 GLN 29 HB2 GLN 29 4.756 -14.270 2.445 220 HB3 GLN 29 HB1 GLN 29 3.933 -14.921 3.853 221 HG2 GLN 29 HG2 GLN 29 4.466 -16.543 1.993 222 HG3 GLN 29 HG1 GLN 29 2.803 -16.535 2.578 223 HE21 GLN 29 HE21 GLN 29 4.922 -15.648 -0.042 224 HE22 GLN 29 HE22 GLN 29 3.687 -15.426 -1.233 225 H TRP 30 HN TRP 30 1.887 -11.231 2.911 226 HA TRP 30 HA TRP 30 2.520 -11.119 5.784 227 HB2 TRP 30 HB2 TRP 30 2.013 -8.878 3.814 228 HB3 TRP 30 HB1 TRP 30 2.268 -8.645 5.539 229 HD1 TRP 30 HD1 TRP 30 4.671 -11.113 5.238 230 HE1 TRP 30 HE1 TRP 30 6.991 -10.254 4.528 231 HE3 TRP 30 HE3 TRP 30 3.309 -6.555 3.372 232 HZ2 TRP 30 HZ2 TRP 30 8.096 -7.943 3.342 233 HZ3 TRP 30 HZ3 TRP 30 5.058 -5.077 2.473 234 HH2 TRP 30 HH2 TRP 30 7.401 -5.759 2.462 235 H GLY 31 HN GLY 31 0.864 -11.603 7.024 236 HA2 GLY 31 HA2 GLY 31 -1.830 -11.471 5.958 237 HA3 GLY 31 HA1 GLY 31 -1.322 -12.308 7.416 238 H ALA 32 HN ALA 32 -1.546 -9.031 6.117 239 HA ALA 32 HA ALA 32 -2.553 -7.166 6.859 240 HB1 ALA 32 HB1 ALA 32 -4.447 -8.611 7.445 241 HB2 ALA 32 HB2 ALA 32 -4.275 -7.245 8.548 242 HB3 ALA 32 HB3 ALA 32 -3.748 -8.853 9.046 243 H MET 33 HN MET 33 -1.445 -5.589 7.656 244 HA MET 33 HA MET 33 -0.804 -5.306 10.380 245 HB2 MET 33 HB2 MET 33 1.667 -5.300 10.220 246 HB3 MET 33 HB1 MET 33 0.972 -6.895 9.977 247 HG2 MET 33 HG2 MET 33 1.249 -6.661 7.577 248 HG3 MET 33 HG1 MET 33 1.924 -5.052 7.801 249 HE1 MET 33 HE1 MET 33 2.491 -8.337 9.928 250 HE2 MET 33 HE2 MET 33 3.960 -8.965 9.175 251 HE3 MET 33 HE3 MET 33 2.456 -8.901 8.256 252 H THR 34 HN THR 34 -0.128 -3.224 10.874 253 HA THR 34 HA THR 34 -0.602 -1.295 8.773 254 HB THR 34 HB THR 34 0.272 -0.679 11.598 255 HG1 THR 34 HG1 THR 34 -1.521 -2.079 11.715 256 HG21 THR 34 HG21 THR 34 -1.056 1.353 11.249 257 HG22 THR 34 HG22 THR 34 -1.465 0.812 9.621 258 HG23 THR 34 HG23 THR 34 0.206 1.204 10.026 259 H MET 35 HN MET 35 1.044 -1.007 7.381 260 HA MET 35 HA MET 35 3.776 -0.826 8.483 261 HB2 MET 35 HB2 MET 35 2.759 -1.998 5.924 262 HB3 MET 35 HB1 MET 35 4.421 -1.442 6.058 263 HG2 MET 35 HG2 MET 35 4.779 -2.969 7.922 264 HG3 MET 35 HG1 MET 35 3.115 -3.528 7.767 265 HE1 MET 35 HE1 MET 35 6.562 -3.171 5.895 266 HE2 MET 35 HE2 MET 35 5.348 -2.409 4.869 267 HE3 MET 35 HE3 MET 35 6.145 -3.893 4.338 268 H GLU 36 HN GLU 36 5.277 0.414 7.161 269 HA GLU 36 HA GLU 36 3.980 2.851 6.130 270 HB2 GLU 36 HB2 GLU 36 5.467 3.151 8.072 271 HB3 GLU 36 HB1 GLU 36 6.799 2.449 7.165 272 HG2 GLU 36 HG2 GLU 36 6.535 4.319 5.520 273 HG3 GLU 36 HG1 GLU 36 5.377 5.043 6.635 274 H PHE 37 HN PHE 37 4.191 3.359 4.035 275 HA PHE 37 HA PHE 37 6.133 1.798 2.445 276 HB2 PHE 37 HB2 PHE 37 3.426 2.891 1.648 277 HB3 PHE 37 HB1 PHE 37 4.574 2.180 0.517 278 HD1 PHE 37 HD2 PHE 37 5.064 -0.207 0.582 279 HD2 PHE 37 HD1 PHE 37 2.174 1.526 3.179 280 HE1 PHE 37 HE2 PHE 37 4.167 -2.445 1.070 281 HE2 PHE 37 HE1 PHE 37 1.276 -0.709 3.675 282 HZ PHE 37 HZ PHE 37 2.271 -2.697 2.616 283 H ALA 38 HN ALA 38 7.614 2.865 1.314 284 HA ALA 38 HA ALA 38 7.842 5.711 1.696 285 HB1 ALA 38 HB1 ALA 38 9.800 4.265 1.867 286 HB2 ALA 38 HB2 ALA 38 10.008 5.470 0.595 287 HB3 ALA 38 HB3 ALA 38 9.611 3.804 0.176 288 H ALA 39 HN ALA 39 7.719 7.308 0.176 289 HA ALA 39 HA ALA 39 6.006 6.800 -2.056 290 HB1 ALA 39 HB1 ALA 39 6.202 9.201 -2.470 291 HB2 ALA 39 HB2 ALA 39 7.487 9.304 -1.265 292 HB3 ALA 39 HB3 ALA 39 5.850 8.865 -0.775 293 HA PRO 40 HA PRO 40 9.107 6.295 -5.240 294 HB2 PRO 40 HB2 PRO 40 7.568 6.942 -7.385 295 HB3 PRO 40 HB1 PRO 40 7.418 5.399 -6.538 296 HG2 PRO 40 HG2 PRO 40 5.740 7.863 -6.295 297 HG3 PRO 40 HG1 PRO 40 5.232 6.165 -6.370 298 HD2 PRO 40 HD2 PRO 40 5.393 7.557 -4.046 299 HD3 PRO 40 HD1 PRO 40 5.671 5.807 -4.140 300 HA PRO 41 HA PRO 41 10.872 10.237 -6.168 301 HB2 PRO 41 HB2 PRO 41 10.887 9.617 -9.070 302 HB3 PRO 41 HB1 PRO 41 12.230 10.029 -7.998 303 HG2 PRO 41 HG2 PRO 41 11.890 7.528 -8.844 304 HG3 PRO 41 HG1 PRO 41 12.421 7.861 -7.185 305 HD2 PRO 41 HD2 PRO 41 9.709 7.084 -8.191 306 HD3 PRO 41 HD1 PRO 41 10.564 6.548 -6.728 307 H ALA 42 HN ALA 42 7.979 9.334 -7.827 308 HA ALA 42 HA ALA 42 7.496 11.972 -8.924 309 HB1 ALA 42 HB1 ALA 42 5.683 9.563 -8.769 310 HB2 ALA 42 HB2 ALA 42 6.718 9.997 -10.132 311 HB3 ALA 42 HB3 ALA 42 5.366 11.038 -9.683 312 H GLY 43 HN GLY 43 7.137 10.527 -5.907 313 HA2 GLY 43 HA2 GLY 43 6.347 11.567 -3.984 314 HA3 GLY 43 HA1 GLY 43 5.470 12.714 -4.992 315 H LEU 44 HN LEU 44 3.714 12.297 -3.543 316 HA LEU 44 HA LEU 44 2.383 9.719 -3.930 317 HB2 LEU 44 HB2 LEU 44 1.787 11.938 -1.974 318 HB3 LEU 44 HB1 LEU 44 0.836 10.480 -2.129 319 HG LEU 44 HG LEU 44 2.173 10.117 -0.254 320 HD11 LEU 44 HD11 LEU 44 3.666 8.303 -0.870 321 HD12 LEU 44 HD12 LEU 44 3.620 8.824 -2.553 322 HD13 LEU 44 HD13 LEU 44 2.156 8.222 -1.779 323 HD21 LEU 44 HD21 LEU 44 4.518 11.162 -1.830 324 HD22 LEU 44 HD22 LEU 44 4.606 10.477 -0.208 325 HD23 LEU 44 HD23 LEU 44 3.705 11.967 -0.486 326 HA PRO 45 HA PRO 45 -0.737 11.758 -6.423 327 HB2 PRO 45 HB2 PRO 45 -2.414 9.647 -6.628 328 HB3 PRO 45 HB1 PRO 45 -0.930 9.781 -7.578 329 HG2 PRO 45 HG2 PRO 45 -1.535 8.065 -5.251 330 HG3 PRO 45 HG1 PRO 45 -0.384 7.810 -6.572 331 HD2 PRO 45 HD2 PRO 45 0.214 8.700 -3.958 332 HD3 PRO 45 HD1 PRO 45 1.311 8.680 -5.353 333 H GLN 46 HN GLN 46 -3.375 11.141 -6.245 334 HA GLN 46 HA GLN 46 -4.074 11.894 -3.494 335 HB2 GLN 46 HB2 GLN 46 -5.655 12.453 -6.013 336 HB3 GLN 46 HB1 GLN 46 -6.035 13.012 -4.395 337 HG2 GLN 46 HG2 GLN 46 -5.125 14.867 -5.484 338 HG3 GLN 46 HG1 GLN 46 -3.825 14.257 -4.463 339 HE21 GLN 46 HE21 GLN 46 -4.789 12.660 -7.394 340 HE22 GLN 46 HE22 GLN 46 -3.368 13.051 -8.312 341 H GLY 47 HN GLY 47 -6.143 11.095 -2.732 342 HA2 GLY 47 HA2 GLY 47 -7.986 9.608 -2.833 343 HA3 GLY 47 HA1 GLY 47 -7.194 8.766 -4.160 344 H LEU 48 HN LEU 48 -5.308 9.605 -1.417 345 HA LEU 48 HA LEU 48 -5.423 6.849 -0.431 346 HB2 LEU 48 HB2 LEU 48 -2.873 7.228 -0.095 347 HB3 LEU 48 HB1 LEU 48 -3.494 6.720 -1.645 348 HG LEU 48 HG LEU 48 -3.307 9.013 -2.492 349 HD11 LEU 48 HD11 LEU 48 -2.112 10.722 -1.210 350 HD12 LEU 48 HD12 LEU 48 -2.110 9.658 0.197 351 HD13 LEU 48 HD13 LEU 48 -3.634 10.272 -0.442 352 HD21 LEU 48 HD21 LEU 48 -1.452 7.472 -2.759 353 HD22 LEU 48 HD22 LEU 48 -0.786 7.991 -1.210 354 HD23 LEU 48 HD23 LEU 48 -0.878 9.127 -2.556 355 H LYS 49 HN LYS 49 -6.853 8.648 0.967 356 HA LYS 49 HA LYS 49 -5.077 9.931 2.909 357 HB2 LYS 49 HB2 LYS 49 -6.767 11.407 3.401 358 HB3 LYS 49 HB1 LYS 49 -7.154 11.031 1.734 359 HG2 LYS 49 HG2 LYS 49 -8.828 9.417 2.473 360 HG3 LYS 49 HG1 LYS 49 -8.430 9.778 4.153 361 HD2 LYS 49 HD2 LYS 49 -10.261 11.116 3.852 362 HD3 LYS 49 HD1 LYS 49 -8.968 12.236 3.416 363 HE2 LYS 49 HE2 LYS 49 -10.745 12.374 1.784 364 HE3 LYS 49 HE1 LYS 49 -9.313 11.659 1.041 365 HZ1 LYS 49 HZ1 LYS 49 -11.449 10.516 0.501 366 HZ2 LYS 49 HZ2 LYS 49 -11.563 10.057 2.130 367 HZ3 LYS 49 HZ3 LYS 49 -10.270 9.500 1.183 368 H ALA 50 HN ALA 50 -5.581 9.830 5.178 369 HA ALA 50 HA ALA 50 -5.693 7.333 6.321 370 HB1 ALA 50 HB1 ALA 50 -6.191 8.471 8.416 371 HB2 ALA 50 HB2 ALA 50 -6.671 9.919 7.530 372 HB3 ALA 50 HB3 ALA 50 -4.993 9.373 7.488 373 H GLY 51 HN GLY 51 -7.246 5.852 6.085 374 HA2 GLY 51 HA2 GLY 51 -9.364 5.121 6.987 375 HA3 GLY 51 HA1 GLY 51 -10.026 6.695 6.588 376 H ASP 52 HN ASP 52 -8.263 6.203 3.969 377 HA ASP 52 HA ASP 52 -10.472 5.070 2.473 378 HB2 ASP 52 HB2 ASP 52 -7.887 6.367 1.742 379 HB3 ASP 52 HB1 ASP 52 -8.610 5.249 0.588 380 H ARG 53 HN ARG 53 -10.498 3.153 1.409 381 HA ARG 53 HA ARG 53 -8.360 1.265 2.104 382 HB2 ARG 53 HB2 ARG 53 -10.980 0.930 2.496 383 HB3 ARG 53 HB1 ARG 53 -10.881 0.330 0.848 384 HG2 ARG 53 HG2 ARG 53 -9.326 -1.372 1.473 385 HG3 ARG 53 HG1 ARG 53 -9.150 -0.690 3.092 386 HD2 ARG 53 HD2 ARG 53 -11.624 -1.100 3.391 387 HD3 ARG 53 HD1 ARG 53 -11.563 -2.025 1.895 388 HE ARG 53 HE ARG 53 -9.776 -3.372 3.194 389 HH11 ARG 53 HH11 ARG 53 -12.586 -1.840 4.608 390 HH12 ARG 53 HH12 ARG 53 -12.787 -3.050 5.850 391 HH21 ARG 53 HH21 ARG 53 -10.034 -4.990 4.843 392 HH22 ARG 53 HH22 ARG 53 -11.342 -4.822 5.975 393 H VAL 54 HN VAL 54 -6.849 1.327 0.551 394 HA VAL 54 HA VAL 54 -7.723 1.943 -2.199 395 HB VAL 54 HB VAL 54 -5.349 2.732 -2.531 396 HG11 VAL 54 HG11 VAL 54 -5.657 4.825 -1.275 397 HG12 VAL 54 HG12 VAL 54 -6.953 4.066 -0.346 398 HG13 VAL 54 HG13 VAL 54 -7.139 4.313 -2.083 399 HG21 VAL 54 HG21 VAL 54 -4.354 1.421 -0.703 400 HG22 VAL 54 HG22 VAL 54 -5.218 2.416 0.470 401 HG23 VAL 54 HG23 VAL 54 -3.984 3.141 -0.562 402 H ALA 55 HN ALA 55 -6.433 1.019 -3.943 403 HA ALA 55 HA ALA 55 -5.290 -1.613 -3.264 404 HB1 ALA 55 HB1 ALA 55 -6.488 -0.730 -5.898 405 HB2 ALA 55 HB2 ALA 55 -7.313 -1.709 -4.687 406 HB3 ALA 55 HB3 ALA 55 -5.883 -2.342 -5.506 407 H PHE 56 HN PHE 56 -3.121 -1.572 -3.334 408 HA PHE 56 HA PHE 56 -1.849 0.298 -5.206 409 HB2 PHE 56 HB2 PHE 56 -0.207 0.854 -3.398 410 HB3 PHE 56 HB1 PHE 56 -1.834 1.441 -3.132 411 HD1 PHE 56 HD1 PHE 56 -3.310 0.280 -1.485 412 HD2 PHE 56 HD2 PHE 56 0.840 -0.597 -1.857 413 HE1 PHE 56 HE1 PHE 56 -3.333 -0.749 0.747 414 HE2 PHE 56 HE2 PHE 56 0.821 -1.634 0.372 415 HZ PHE 56 HZ PHE 56 -1.264 -1.710 1.677 416 H SER 57 HN SER 57 0.649 -0.026 -5.031 417 HA SER 57 HA SER 57 1.306 -2.884 -4.930 418 HB2 SER 57 HB2 SER 57 2.591 -2.612 -7.045 419 HB3 SER 57 HB1 SER 57 0.858 -2.376 -7.274 420 HG SER 57 HG SER 57 1.205 -0.357 -7.802 421 H PHE 58 HN PHE 58 3.508 -3.310 -4.504 422 HA PHE 58 HA PHE 58 5.270 -1.029 -4.105 423 HB2 PHE 58 HB2 PHE 58 5.882 -1.650 -1.850 424 HB3 PHE 58 HB1 PHE 58 4.143 -1.383 -1.919 425 HD1 PHE 58 HD1 PHE 58 2.596 -3.320 -1.874 426 HD2 PHE 58 HD2 PHE 58 6.785 -3.763 -1.269 427 HE1 PHE 58 HE1 PHE 58 2.219 -5.547 -0.901 428 HE2 PHE 58 HE2 PHE 58 6.413 -5.989 -0.299 429 HZ PHE 58 HZ PHE 58 4.127 -6.885 -0.115 430 H ARG 59 HN ARG 59 7.486 -1.597 -4.011 431 HA ARG 59 HA ARG 59 8.035 -4.331 -4.956 432 HB2 ARG 59 HB2 ARG 59 9.558 -1.782 -5.538 433 HB3 ARG 59 HB1 ARG 59 10.052 -3.390 -6.050 434 HG2 ARG 59 HG2 ARG 59 8.066 -3.601 -7.414 435 HG3 ARG 59 HG1 ARG 59 7.496 -2.027 -6.858 436 HD2 ARG 59 HD2 ARG 59 9.589 -1.040 -7.828 437 HD3 ARG 59 HD1 ARG 59 9.921 -2.619 -8.539 438 HE ARG 59 HE ARG 59 7.495 -2.208 -9.488 439 HH11 ARG 59 HH11 ARG 59 10.191 0.020 -9.255 440 HH12 ARG 59 HH12 ARG 59 9.637 1.018 -10.572 441 HH21 ARG 59 HH21 ARG 59 6.807 -0.974 -11.237 442 HH22 ARG 59 HH22 ARG 59 7.720 0.425 -11.731 443 H LEU 60 HN LEU 60 9.506 -5.514 -3.879 444 HA LEU 60 HA LEU 60 10.657 -4.345 -1.467 445 HB2 LEU 60 HB2 LEU 60 10.269 -7.128 -2.458 446 HB3 LEU 60 HB1 LEU 60 11.553 -6.820 -1.310 447 HG LEU 60 HG LEU 60 8.624 -6.236 -0.851 448 HD11 LEU 60 HD11 LEU 60 8.754 -8.059 0.766 449 HD12 LEU 60 HD12 LEU 60 10.430 -8.354 0.305 450 HD13 LEU 60 HD13 LEU 60 9.134 -8.630 -0.860 451 HD21 LEU 60 HD21 LEU 60 11.022 -5.969 0.965 452 HD22 LEU 60 HD22 LEU 60 9.339 -5.781 1.461 453 HD23 LEU 60 HD23 LEU 60 10.053 -4.647 0.314 454 H ASP 61 HN ASP 61 12.490 -3.340 -1.686 455 HA ASP 61 HA ASP 61 14.226 -3.828 -3.923 456 HB2 ASP 61 HB2 ASP 61 14.716 -2.112 -1.478 457 HB3 ASP 61 HB1 ASP 61 15.596 -2.043 -2.996 458 HA PRO 62 HA PRO 62 16.775 -6.888 -2.332 459 HB2 PRO 62 HB2 PRO 62 19.287 -5.448 -2.848 460 HB3 PRO 62 HB1 PRO 62 18.633 -6.884 -3.643 461 HG2 PRO 62 HG2 PRO 62 18.731 -4.511 -4.895 462 HG3 PRO 62 HG1 PRO 62 17.392 -5.646 -5.155 463 HD2 PRO 62 HD2 PRO 62 17.495 -3.215 -3.397 464 HD3 PRO 62 HD1 PRO 62 16.212 -3.736 -4.511 465 H HIS 63 HN HIS 63 16.694 -4.052 -0.715 466 HA HIS 63 HA HIS 63 18.679 -4.794 1.317 467 HB2 HIS 63 HB2 HIS 63 18.417 -2.433 0.241 468 HB3 HIS 63 HB1 HIS 63 17.047 -2.274 1.329 469 HD1 HIS 63 HD1 HIS 63 17.533 -1.945 3.821 470 HD2 HIS 63 HD2 HIS 63 20.943 -2.489 1.495 471 HE1 HIS 63 HE1 HIS 63 19.472 -1.295 5.291 472 HE2 HIS 63 HE2 HIS 63 21.514 -1.522 3.829 473 H GLY 64 HN GLY 64 15.454 -5.069 0.560 474 HA2 GLY 64 HA2 GLY 64 13.801 -6.100 1.890 475 HA3 GLY 64 HA1 GLY 64 14.734 -5.698 3.326 476 H MET 65 HN MET 65 13.970 -3.442 0.774 477 HA MET 65 HA MET 65 12.628 -1.748 2.745 478 HB2 MET 65 HB2 MET 65 13.586 -1.042 -0.038 479 HB3 MET 65 HB1 MET 65 12.972 0.080 1.167 480 HG2 MET 65 HG2 MET 65 14.881 -0.652 2.631 481 HG3 MET 65 HG1 MET 65 15.538 -1.470 1.222 482 HE1 MET 65 HE1 MET 65 16.223 -0.176 -1.040 483 HE2 MET 65 HE2 MET 65 16.098 1.573 -1.236 484 HE3 MET 65 HE3 MET 65 14.635 0.595 -1.101 485 H ALA 66 HN ALA 66 10.655 -0.671 2.206 486 HA ALA 66 HA ALA 66 9.033 -2.177 0.267 487 HB1 ALA 66 HB1 ALA 66 8.389 -2.664 2.599 488 HB2 ALA 66 HB2 ALA 66 7.104 -1.844 1.713 489 HB3 ALA 66 HB3 ALA 66 8.094 -0.946 2.863 490 H THR 67 HN THR 67 9.116 -0.840 -1.421 491 HA THR 67 HA THR 67 8.598 2.004 -0.939 492 HB THR 67 HB THR 67 9.895 0.857 -3.414 493 HG1 THR 67 HG1 THR 67 11.520 0.422 -2.063 494 HG21 THR 67 HG21 THR 67 10.727 3.132 -3.664 495 HG22 THR 67 HG22 THR 67 9.959 3.592 -2.143 496 HG23 THR 67 HG23 THR 67 8.967 3.143 -3.532 497 H LEU 68 HN LEU 68 6.809 2.867 -1.689 498 HA LEU 68 HA LEU 68 4.799 1.238 -2.879 499 HB2 LEU 68 HB2 LEU 68 4.427 3.124 -1.259 500 HB3 LEU 68 HB1 LEU 68 4.839 4.235 -2.547 501 HG LEU 68 HG LEU 68 2.901 3.365 -3.853 502 HD11 LEU 68 HD11 LEU 68 2.690 1.184 -2.813 503 HD12 LEU 68 HD12 LEU 68 1.187 2.092 -2.638 504 HD13 LEU 68 HD13 LEU 68 2.290 1.936 -1.268 505 HD21 LEU 68 HD21 LEU 68 2.291 4.504 -1.126 506 HD22 LEU 68 HD22 LEU 68 1.219 4.550 -2.527 507 HD23 LEU 68 HD23 LEU 68 2.750 5.426 -2.558 508 H VAL 69 HN VAL 69 4.100 1.151 -4.950 509 HA VAL 69 HA VAL 69 5.745 2.557 -6.943 510 HB VAL 69 HB VAL 69 3.878 0.228 -7.402 511 HG11 VAL 69 HG11 VAL 69 4.329 1.474 -9.413 512 HG12 VAL 69 HG12 VAL 69 5.208 -0.054 -9.472 513 HG13 VAL 69 HG13 VAL 69 6.062 1.441 -9.089 514 HG21 VAL 69 HG21 VAL 69 6.856 0.195 -6.935 515 HG22 VAL 69 HG22 VAL 69 5.875 -1.189 -7.419 516 HG23 VAL 69 HG23 VAL 69 5.622 -0.436 -5.842 517 H THR 70 HN THR 70 2.394 1.406 -6.674 518 HA THR 70 HA THR 70 1.442 4.043 -7.511 519 HB THR 70 HB THR 70 -0.243 2.958 -9.018 520 HG1 THR 70 HG1 THR 70 -0.112 0.830 -9.484 521 HG21 THR 70 HG21 THR 70 1.717 4.002 -10.002 522 HG22 THR 70 HG22 THR 70 1.302 2.541 -10.901 523 HG23 THR 70 HG23 THR 70 2.653 2.526 -9.765 524 H VAL 71 HN VAL 71 -0.733 4.466 -6.836 525 HA VAL 71 HA VAL 71 -2.054 2.367 -5.294 526 HB VAL 71 HB VAL 71 -0.807 3.896 -3.700 527 HG11 VAL 71 HG11 VAL 71 -1.189 5.995 -4.905 528 HG12 VAL 71 HG12 VAL 71 -1.723 6.073 -3.225 529 HG13 VAL 71 HG13 VAL 71 -2.909 5.879 -4.515 530 HG21 VAL 71 HG21 VAL 71 -2.622 2.552 -2.896 531 HG22 VAL 71 HG22 VAL 71 -3.804 3.719 -3.490 532 HG23 VAL 71 HG23 VAL 71 -2.730 4.154 -2.158 533 H ALA 72 HN ALA 72 -4.158 2.238 -5.776 534 HA ALA 72 HA ALA 72 -5.366 4.518 -7.201 535 HB1 ALA 72 HB1 ALA 72 -6.666 2.928 -8.518 536 HB2 ALA 72 HB2 ALA 72 -5.894 1.582 -7.680 537 HB3 ALA 72 HB3 ALA 72 -4.938 2.636 -8.722 538 HA PRO 73 HA PRO 73 -8.307 4.432 -3.903 539 HB2 PRO 73 HB2 PRO 73 -10.350 5.729 -5.139 540 HB3 PRO 73 HB1 PRO 73 -8.946 6.550 -4.440 541 HG2 PRO 73 HG2 PRO 73 -9.508 5.865 -7.295 542 HG3 PRO 73 HG1 PRO 73 -8.752 7.317 -6.614 543 HD2 PRO 73 HD2 PRO 73 -7.320 5.320 -7.764 544 HD3 PRO 73 HD1 PRO 73 -6.685 6.314 -6.439 545 H GLN 74 HN GLN 74 -8.886 2.343 -3.702 546 HA GLN 74 HA GLN 74 -11.128 1.425 -5.347 547 HB2 GLN 74 HB2 GLN 74 -10.575 -0.772 -4.884 548 HB3 GLN 74 HB1 GLN 74 -8.977 -0.038 -4.884 549 HG2 GLN 74 HG2 GLN 74 -8.862 -0.041 -2.543 550 HG3 GLN 74 HG1 GLN 74 -10.584 -0.368 -2.380 551 HE21 GLN 74 HE21 GLN 74 -8.467 -1.779 -1.173 552 HE22 GLN 74 HE22 GLN 74 -8.537 -3.404 -1.754 553 H VAL 75 HN VAL 75 -12.553 -0.064 -3.800 554 HA VAL 75 HA VAL 75 -12.966 1.322 -1.265 555 HB VAL 75 HB VAL 75 -14.618 2.419 -2.493 556 HG11 VAL 75 HG11 VAL 75 -16.121 1.315 -4.106 557 HG12 VAL 75 HG12 VAL 75 -15.213 -0.182 -3.886 558 HG13 VAL 75 HG13 VAL 75 -14.420 1.242 -4.568 559 HG21 VAL 75 HG21 VAL 75 -15.590 1.449 -0.492 560 HG22 VAL 75 HG22 VAL 75 -15.995 -0.021 -1.379 561 HG23 VAL 75 HG23 VAL 75 -16.781 1.502 -1.790 562 H GLN 76 HN GLN 76 -13.566 -0.018 0.382 563 HA GLN 76 HA GLN 76 -12.809 -2.565 0.541 564 HB2 GLN 76 HB2 GLN 76 -14.337 -2.912 2.415 565 HB3 GLN 76 HB1 GLN 76 -13.592 -1.320 2.472 566 HG2 GLN 76 HG2 GLN 76 -15.582 -0.269 1.710 567 HG3 GLN 76 HG1 GLN 76 -16.326 -1.821 1.331 568 HE21 GLN 76 HE21 GLN 76 -17.098 -3.105 3.004 569 HE22 GLN 76 HE22 GLN 76 -17.381 -2.476 4.583 570 H THR 77 HN THR 77 -15.867 -1.619 -0.740 571 HA THR 77 HA THR 77 -17.165 -4.097 -0.756 572 HB THR 77 HB THR 77 -18.622 -3.057 -2.526 573 HG1 THR 77 HG1 THR 77 -18.152 -0.745 -2.839 574 HG21 THR 77 HG21 THR 77 -19.534 -1.331 -1.034 575 HG22 THR 77 HG22 THR 77 -18.060 -1.391 -0.066 576 HG23 THR 77 HG23 THR 77 -19.123 -2.795 -0.143 577 H ALA 78 HN ALA 78 -14.513 -3.178 -2.557 578 HA ALA 78 HA ALA 78 -15.115 -4.579 -4.988 579 HB1 ALA 78 HB1 ALA 78 -12.795 -4.181 -5.578 580 HB2 ALA 78 HB2 ALA 78 -12.442 -3.674 -3.926 581 HB3 ALA 78 HB3 ALA 78 -13.522 -2.707 -4.933 582 H GLY 79 HN GLY 79 -14.076 -5.506 -1.873 583 HA2 GLY 79 HA2 GLY 79 -13.658 -8.245 -2.808 584 HA3 GLY 79 HA1 GLY 79 -12.327 -7.490 -1.945 585 H ALA 80 HN ALA 80 -13.992 -6.006 -0.127 586 HA ALA 80 HA ALA 80 -14.755 -8.211 1.646 587 HB1 ALA 80 HB1 ALA 80 -14.606 -6.525 3.445 588 HB2 ALA 80 HB2 ALA 80 -14.133 -5.319 2.245 589 HB3 ALA 80 HB3 ALA 80 -13.093 -6.710 2.557 590 H LYS 81 HN LYS 81 -16.602 -7.612 3.179 591 HA LYS 81 HA LYS 81 -18.807 -6.597 1.531 592 HB2 LYS 81 HB2 LYS 81 -18.836 -8.359 3.987 593 HB3 LYS 81 HB1 LYS 81 -20.273 -7.788 3.150 594 HG2 LYS 81 HG2 LYS 81 -19.517 -8.965 1.123 595 HG3 LYS 81 HG1 LYS 81 -18.147 -9.600 2.034 596 HD2 LYS 81 HD2 LYS 81 -19.769 -11.310 2.056 597 HD3 LYS 81 HD1 LYS 81 -19.851 -10.561 3.650 598 HE2 LYS 81 HE2 LYS 81 -21.683 -9.798 1.384 599 HE3 LYS 81 HE1 LYS 81 -22.065 -11.081 2.529 600 HZ1 LYS 81 HZ1 LYS 81 -21.888 -9.431 4.326 601 HZ2 LYS 81 HZ2 LYS 81 -23.104 -9.047 3.211 602 HZ3 LYS 81 HZ3 LYS 81 -21.635 -8.211 3.175 603 HA PRO 82 HA PRO 82 -19.145 -3.133 4.353 604 HB2 PRO 82 HB2 PRO 82 -21.470 -2.157 3.332 605 HB3 PRO 82 HB1 PRO 82 -19.895 -1.878 2.579 606 HG2 PRO 82 HG2 PRO 82 -22.028 -3.831 1.846 607 HG3 PRO 82 HG1 PRO 82 -20.972 -2.873 0.795 608 HD2 PRO 82 HD2 PRO 82 -20.561 -5.517 1.349 609 HD3 PRO 82 HD1 PRO 82 -19.259 -4.388 0.931 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 13.947 -7.863 -4.603 2 H2 GLY 1 HT2 GLY 1 13.911 -8.256 -2.955 3 H3 GLY 1 HT3 GLY 1 13.316 -6.758 -3.484 4 HA2 GLY 1 HA1 GLY 1 12.154 -9.402 -4.170 5 HA3 GLY 1 HA2 GLY 1 11.514 -8.298 -2.961 6 HA PRO 2 HA PRO 2 10.311 -7.154 -7.485 7 HB2 PRO 2 HB2 PRO 2 8.202 -9.142 -7.662 8 HB3 PRO 2 HB1 PRO 2 9.574 -8.883 -8.742 9 HG2 PRO 2 HG2 PRO 2 9.320 -11.071 -7.138 10 HG3 PRO 2 HG1 PRO 2 10.882 -10.414 -7.656 11 HD2 PRO 2 HD2 PRO 2 9.457 -10.084 -5.042 12 HD3 PRO 2 HD1 PRO 2 11.189 -10.331 -5.362 13 H GLU 3 HN GLU 3 7.945 -6.640 -8.266 14 HA GLU 3 HA GLU 3 6.683 -5.200 -6.127 15 HB2 GLU 3 HB2 GLU 3 6.808 -4.201 -8.352 16 HB3 GLU 3 HB1 GLU 3 5.898 -5.544 -9.030 17 HG2 GLU 3 HG2 GLU 3 3.997 -4.899 -7.547 18 HG3 GLU 3 HG1 GLU 3 4.908 -3.457 -7.106 19 H HIS 4 HN HIS 4 4.864 -5.708 -5.044 20 HA HIS 4 HA HIS 4 3.303 -8.030 -5.958 21 HB2 HIS 4 HB2 HIS 4 3.740 -7.272 -3.063 22 HB3 HIS 4 HB1 HIS 4 2.921 -8.701 -3.671 23 HD1 HIS 4 HD1 HIS 4 4.427 -10.653 -4.542 24 HD2 HIS 4 HD2 HIS 4 6.522 -7.434 -2.943 25 HE1 HIS 4 HE1 HIS 4 6.770 -11.478 -4.188 26 HE2 HIS 4 HE2 HIS 4 7.974 -9.581 -3.051 27 H ARG 5 HN ARG 5 1.060 -7.787 -5.815 28 HA ARG 5 HA ARG 5 0.123 -5.061 -5.482 29 HB2 ARG 5 HB2 ARG 5 -1.354 -7.596 -6.202 30 HB3 ARG 5 HB1 ARG 5 -2.112 -6.012 -6.077 31 HG2 ARG 5 HG2 ARG 5 0.016 -6.864 -8.036 32 HG3 ARG 5 HG1 ARG 5 -1.679 -6.524 -8.386 33 HD2 ARG 5 HD2 ARG 5 0.356 -4.535 -7.384 34 HD3 ARG 5 HD1 ARG 5 -0.221 -4.670 -9.042 35 HE ARG 5 HE ARG 5 -2.306 -4.230 -7.101 36 HH11 ARG 5 HH11 ARG 5 -0.006 -2.739 -9.282 37 HH12 ARG 5 HH12 ARG 5 -0.809 -1.199 -9.283 38 HH21 ARG 5 HH21 ARG 5 -3.381 -2.225 -7.115 39 HH22 ARG 5 HH22 ARG 5 -2.754 -0.915 -8.069 40 H ALA 6 HN ALA 6 -0.977 -4.267 -3.790 41 HA ALA 6 HA ALA 6 -1.858 -6.144 -1.713 42 HB1 ALA 6 HB1 ALA 6 -0.860 -4.747 0.024 43 HB2 ALA 6 HB2 ALA 6 -0.156 -3.706 -1.213 44 HB3 ALA 6 HB3 ALA 6 0.368 -5.385 -1.069 45 H VAL 7 HN VAL 7 -3.697 -5.558 -0.716 46 HA VAL 7 HA VAL 7 -4.739 -2.861 -1.244 47 HB VAL 7 HB VAL 7 -7.014 -3.769 -0.990 48 HG11 VAL 7 HG11 VAL 7 -6.073 -3.534 -3.216 49 HG12 VAL 7 HG12 VAL 7 -7.127 -4.946 -3.137 50 HG13 VAL 7 HG13 VAL 7 -5.374 -5.149 -3.109 51 HG21 VAL 7 HG21 VAL 7 -5.643 -6.455 -0.908 52 HG22 VAL 7 HG22 VAL 7 -7.381 -6.198 -1.046 53 HG23 VAL 7 HG23 VAL 7 -6.530 -5.696 0.414 54 H GLY 8 HN GLY 8 -5.785 -1.789 0.464 55 HA2 GLY 8 HA2 GLY 8 -6.250 -2.910 3.003 56 HA3 GLY 8 HA1 GLY 8 -4.664 -2.152 3.002 57 H ARG 9 HN ARG 9 -5.505 -0.739 4.613 58 HA ARG 9 HA ARG 9 -7.126 1.441 3.484 59 HB2 ARG 9 HB2 ARG 9 -8.479 0.034 5.026 60 HB3 ARG 9 HB1 ARG 9 -7.319 0.362 6.304 61 HG2 ARG 9 HG2 ARG 9 -7.886 2.683 6.313 62 HG3 ARG 9 HG1 ARG 9 -8.906 2.488 4.886 63 HD2 ARG 9 HD2 ARG 9 -9.361 1.318 7.626 64 HD3 ARG 9 HD1 ARG 9 -10.299 2.594 6.846 65 HE ARG 9 HE ARG 9 -10.300 -0.265 6.130 66 HH11 ARG 9 HH11 ARG 9 -11.644 2.954 5.732 67 HH12 ARG 9 HH12 ARG 9 -13.101 2.384 4.970 68 HH21 ARG 9 HH21 ARG 9 -12.203 -1.002 5.119 69 HH22 ARG 9 HH22 ARG 9 -13.414 0.140 4.615 70 H ILE 10 HN ILE 10 -6.332 3.419 3.793 71 HA ILE 10 HA ILE 10 -3.658 3.748 4.621 72 HB ILE 10 HB ILE 10 -5.710 5.951 4.413 73 HG12 ILE 10 HG12 ILE 10 -5.790 4.608 2.364 74 HG13 ILE 10 HG11 ILE 10 -5.038 6.170 2.051 75 HG21 ILE 10 HG21 ILE 10 -2.723 5.944 3.995 76 HG22 ILE 10 HG22 ILE 10 -3.558 6.538 5.429 77 HG23 ILE 10 HG23 ILE 10 -3.792 7.343 3.877 78 HD11 ILE 10 HD11 ILE 10 -2.836 5.112 2.159 79 HD12 ILE 10 HD12 ILE 10 -3.859 4.409 0.905 80 HD13 ILE 10 HD13 ILE 10 -3.613 3.550 2.428 81 H GLN 11 HN GLN 11 -2.796 4.212 6.541 82 HA GLN 11 HA GLN 11 -4.628 4.501 8.804 83 HB2 GLN 11 HB2 GLN 11 -2.781 2.714 8.681 84 HB3 GLN 11 HB1 GLN 11 -1.654 4.034 8.961 85 HG2 GLN 11 HG2 GLN 11 -2.113 2.949 11.028 86 HG3 GLN 11 HG1 GLN 11 -2.847 4.552 11.060 87 HE21 GLN 11 HE21 GLN 11 -4.157 1.804 9.329 88 HE22 GLN 11 HE22 GLN 11 -5.558 1.597 10.320 89 H SER 12 HN SER 12 -1.766 5.956 7.321 90 HA SER 12 HA SER 12 -2.678 8.580 8.113 91 HB2 SER 12 HB2 SER 12 0.092 7.699 8.946 92 HB3 SER 12 HB1 SER 12 -0.664 9.264 9.237 93 HG SER 12 HG SER 12 -2.305 7.508 10.252 94 H ILE 13 HN ILE 13 -1.265 10.287 7.100 95 HA ILE 13 HA ILE 13 -0.145 9.235 4.586 96 HB ILE 13 HB ILE 13 -1.774 11.722 5.074 97 HG12 ILE 13 HG12 ILE 13 -3.091 9.791 4.579 98 HG13 ILE 13 HG11 ILE 13 -3.023 10.793 3.137 99 HG21 ILE 13 HG21 ILE 13 0.110 12.431 3.710 100 HG22 ILE 13 HG22 ILE 13 -1.363 12.377 2.742 101 HG23 ILE 13 HG23 ILE 13 -0.166 11.087 2.601 102 HD11 ILE 13 HD11 ILE 13 -1.381 9.354 2.141 103 HD12 ILE 13 HD12 ILE 13 -2.795 8.416 2.626 104 HD13 ILE 13 HD13 ILE 13 -1.327 8.368 3.601 105 H GLY 14 HN GLY 14 1.563 10.338 3.641 106 HA2 GLY 14 HA2 GLY 14 2.926 12.419 5.152 107 HA3 GLY 14 HA1 GLY 14 3.810 10.911 4.914 108 H GLU 15 HN GLU 15 4.688 13.351 3.899 109 HA GLU 15 HA GLU 15 3.801 13.745 1.220 110 HB2 GLU 15 HB2 GLU 15 6.412 14.843 1.704 111 HB3 GLU 15 HB1 GLU 15 4.893 15.677 1.433 112 HG2 GLU 15 HG2 GLU 15 5.700 16.454 3.490 113 HG3 GLU 15 HG1 GLU 15 4.407 15.323 3.883 114 H ARG 16 HN ARG 16 6.346 11.927 2.750 115 HA ARG 16 HA ARG 16 7.070 10.846 0.116 116 HB2 ARG 16 HB2 ARG 16 9.432 10.582 1.335 117 HB3 ARG 16 HB1 ARG 16 8.999 11.995 0.388 118 HG2 ARG 16 HG2 ARG 16 10.017 12.727 2.406 119 HG3 ARG 16 HG1 ARG 16 8.299 13.116 2.490 120 HD2 ARG 16 HD2 ARG 16 8.098 10.847 3.722 121 HD3 ARG 16 HD1 ARG 16 9.840 11.004 3.949 122 HE ARG 16 HE ARG 16 8.350 13.346 4.729 123 HH11 ARG 16 HH11 ARG 16 9.576 10.225 5.766 124 HH12 ARG 16 HH12 ARG 16 9.483 10.615 7.461 125 HH21 ARG 16 HH21 ARG 16 8.220 13.851 6.938 126 HH22 ARG 16 HH22 ARG 16 8.727 12.693 8.127 127 H SER 17 HN SER 17 5.897 10.164 3.141 128 HA SER 17 HA SER 17 6.036 7.366 2.590 129 HB2 SER 17 HB2 SER 17 6.899 6.946 5.031 130 HB3 SER 17 HB1 SER 17 8.036 7.203 3.715 131 HG SER 17 HG SER 17 7.815 8.595 5.952 132 H LEU 18 HN LEU 18 4.359 6.278 3.491 133 HA LEU 18 HA LEU 18 2.748 7.668 5.481 134 HB2 LEU 18 HB2 LEU 18 0.704 7.027 3.950 135 HB3 LEU 18 HB1 LEU 18 1.547 8.554 3.781 136 HG LEU 18 HG LEU 18 2.918 7.400 1.951 137 HD11 LEU 18 HD11 LEU 18 0.608 5.471 2.101 138 HD12 LEU 18 HD12 LEU 18 2.301 5.104 2.433 139 HD13 LEU 18 HD13 LEU 18 1.800 5.555 0.803 140 HD21 LEU 18 HD21 LEU 18 -0.023 7.897 1.526 141 HD22 LEU 18 HD22 LEU 18 1.227 7.913 0.282 142 HD23 LEU 18 HD23 LEU 18 1.240 9.130 1.562 143 H ILE 19 HN ILE 19 1.252 6.391 6.573 144 HA ILE 19 HA ILE 19 2.142 3.614 6.708 145 HB ILE 19 HB ILE 19 0.369 5.100 8.653 146 HG12 ILE 19 HG12 ILE 19 3.363 4.678 8.778 147 HG13 ILE 19 HG11 ILE 19 2.575 6.207 8.405 148 HG21 ILE 19 HG21 ILE 19 1.105 3.348 10.224 149 HG22 ILE 19 HG22 ILE 19 1.972 2.558 8.906 150 HG23 ILE 19 HG23 ILE 19 0.214 2.697 8.848 151 HD11 ILE 19 HD11 ILE 19 1.562 6.221 10.627 152 HD12 ILE 19 HD12 ILE 19 3.321 6.141 10.709 153 HD13 ILE 19 HD13 ILE 19 2.361 4.691 10.996 154 H ILE 20 HN ILE 20 0.897 1.961 6.098 155 HA ILE 20 HA ILE 20 -1.973 2.453 5.649 156 HB ILE 20 HB ILE 20 -0.147 0.884 3.816 157 HG12 ILE 20 HG12 ILE 20 -1.652 3.455 3.287 158 HG13 ILE 20 HG11 ILE 20 0.065 3.371 3.665 159 HG21 ILE 20 HG21 ILE 20 -2.123 0.633 2.390 160 HG22 ILE 20 HG22 ILE 20 -3.104 1.458 3.601 161 HG23 ILE 20 HG23 ILE 20 -2.375 -0.105 3.972 162 HD11 ILE 20 HD11 ILE 20 -1.273 2.128 1.270 163 HD12 ILE 20 HD12 ILE 20 0.452 2.073 1.641 164 HD13 ILE 20 HD13 ILE 20 -0.322 3.615 1.273 165 H ALA 21 HN ALA 21 -3.177 1.100 6.777 166 HA ALA 21 HA ALA 21 -2.173 -1.380 7.829 167 HB1 ALA 21 HB1 ALA 21 -4.468 -1.721 8.629 168 HB2 ALA 21 HB2 ALA 21 -4.993 -0.307 7.718 169 HB3 ALA 21 HB3 ALA 21 -3.864 -0.121 9.060 170 H HIS 22 HN HIS 22 -1.567 -2.650 6.124 171 HA HIS 22 HA HIS 22 -3.463 -3.114 3.957 172 HB2 HIS 22 HB2 HIS 22 -1.616 -4.361 2.884 173 HB3 HIS 22 HB1 HIS 22 -1.153 -2.714 3.292 174 HD1 HIS 22 HD1 HIS 22 -0.663 -6.279 4.502 175 HD2 HIS 22 HD2 HIS 22 1.058 -2.509 4.910 176 HE1 HIS 22 HE1 HIS 22 1.489 -6.645 5.748 177 HE2 HIS 22 HE2 HIS 22 2.425 -4.337 6.122 178 H GLU 23 HN GLU 23 -4.167 -5.193 3.379 179 HA GLU 23 HA GLU 23 -4.592 -7.011 5.529 180 HB2 GLU 23 HB2 GLU 23 -5.059 -7.281 2.558 181 HB3 GLU 23 HB1 GLU 23 -5.561 -8.478 3.745 182 HG2 GLU 23 HG2 GLU 23 -6.889 -6.648 4.854 183 HG3 GLU 23 HG1 GLU 23 -6.541 -5.661 3.437 184 H ALA 24 HN ALA 24 -4.223 -9.511 4.282 185 HA ALA 24 HA ALA 24 -1.581 -9.960 5.195 186 HB1 ALA 24 HB1 ALA 24 -3.429 -11.601 5.400 187 HB2 ALA 24 HB2 ALA 24 -1.944 -12.278 4.733 188 HB3 ALA 24 HB3 ALA 24 -3.299 -11.901 3.665 189 H ILE 25 HN ILE 25 -2.876 -9.360 2.057 190 HA ILE 25 HA ILE 25 -1.912 -9.112 0.002 191 HB ILE 25 HB ILE 25 0.745 -9.166 1.450 192 HG12 ILE 25 HG12 ILE 25 -0.955 -6.757 0.760 193 HG13 ILE 25 HG11 ILE 25 -0.825 -7.453 2.372 194 HG21 ILE 25 HG21 ILE 25 -0.050 -7.967 -1.209 195 HG22 ILE 25 HG22 ILE 25 0.889 -9.442 -0.980 196 HG23 ILE 25 HG23 ILE 25 1.550 -7.887 -0.472 197 HD11 ILE 25 HD11 ILE 25 1.544 -6.945 2.422 198 HD12 ILE 25 HD12 ILE 25 0.601 -5.489 2.094 199 HD13 ILE 25 HD13 ILE 25 1.457 -6.303 0.783 200 HA PRO 26 HA PRO 26 -1.201 -13.679 -0.167 201 HB2 PRO 26 HB2 PRO 26 -2.749 -13.337 -2.658 202 HB3 PRO 26 HB1 PRO 26 -3.009 -14.457 -1.318 203 HG2 PRO 26 HG2 PRO 26 -4.622 -12.357 -1.718 204 HG3 PRO 26 HG1 PRO 26 -4.209 -12.912 -0.085 205 HD2 PRO 26 HD2 PRO 26 -3.126 -10.589 -1.631 206 HD3 PRO 26 HD1 PRO 26 -3.546 -10.699 0.091 207 H SER 27 HN SER 27 -0.557 -11.026 -2.247 208 HA SER 27 HA SER 27 0.830 -12.468 -4.290 209 HB2 SER 27 HB2 SER 27 -0.246 -10.216 -4.604 210 HB3 SER 27 HB1 SER 27 1.033 -9.521 -3.606 211 HG SER 27 HG SER 27 1.811 -11.104 -5.773 212 H ALA 28 HN ALA 28 1.642 -11.355 -1.134 213 HA ALA 28 HA ALA 28 4.502 -11.701 -1.751 214 HB1 ALA 28 HB1 ALA 28 5.037 -9.962 -0.154 215 HB2 ALA 28 HB2 ALA 28 3.326 -9.749 0.218 216 HB3 ALA 28 HB3 ALA 28 3.936 -9.343 -1.387 217 H GLN 29 HN GLN 29 1.962 -12.981 -0.070 218 HA GLN 29 HA GLN 29 1.737 -14.455 1.637 219 HB2 GLN 29 HB2 GLN 29 4.675 -14.821 1.094 220 HB3 GLN 29 HB1 GLN 29 3.806 -15.784 2.277 221 HG2 GLN 29 HG2 GLN 29 3.830 -17.108 0.369 222 HG3 GLN 29 HG1 GLN 29 2.225 -16.383 0.365 223 HE21 GLN 29 HE21 GLN 29 1.917 -16.583 -1.813 224 HE22 GLN 29 HE22 GLN 29 2.798 -15.668 -2.984 225 H TRP 30 HN TRP 30 1.893 -11.827 2.342 226 HA TRP 30 HA TRP 30 3.560 -11.659 4.735 227 HB2 TRP 30 HB2 TRP 30 2.016 -9.652 3.119 228 HB3 TRP 30 HB1 TRP 30 2.467 -9.287 4.782 229 HD1 TRP 30 HD1 TRP 30 4.859 -11.185 2.452 230 HE1 TRP 30 HE1 TRP 30 6.910 -9.698 2.000 231 HE3 TRP 30 HE3 TRP 30 3.251 -6.885 4.703 232 HZ2 TRP 30 HZ2 TRP 30 7.737 -7.058 2.536 233 HZ3 TRP 30 HZ3 TRP 30 4.734 -4.919 4.686 234 HH2 TRP 30 HH2 TRP 30 6.931 -5.011 3.624 235 H GLY 31 HN GLY 31 2.418 -10.484 6.600 236 HA2 GLY 31 HA2 GLY 31 -0.226 -11.682 7.022 237 HA3 GLY 31 HA1 GLY 31 0.828 -11.072 8.289 238 H ALA 32 HN ALA 32 -1.761 -10.291 8.278 239 HA ALA 32 HA ALA 32 -2.048 -7.767 6.883 240 HB1 ALA 32 HB1 ALA 32 -3.866 -9.068 8.914 241 HB2 ALA 32 HB2 ALA 32 -3.987 -9.258 7.165 242 HB3 ALA 32 HB3 ALA 32 -4.256 -7.679 7.900 243 H MET 33 HN MET 33 -1.096 -6.010 7.658 244 HA MET 33 HA MET 33 -1.119 -5.365 10.445 245 HB2 MET 33 HB2 MET 33 1.485 -5.202 10.425 246 HB3 MET 33 HB1 MET 33 0.709 -6.740 10.776 247 HG2 MET 33 HG2 MET 33 1.089 -7.507 8.539 248 HG3 MET 33 HG1 MET 33 1.717 -5.937 8.060 249 HE1 MET 33 HE1 MET 33 3.141 -8.802 7.613 250 HE2 MET 33 HE2 MET 33 4.818 -8.375 7.957 251 HE3 MET 33 HE3 MET 33 3.803 -7.281 7.017 252 H THR 34 HN THR 34 -0.083 -3.339 10.920 253 HA THR 34 HA THR 34 -0.547 -1.496 8.713 254 HB THR 34 HB THR 34 -0.079 -0.877 11.633 255 HG1 THR 34 HG1 THR 34 -1.939 -2.251 11.258 256 HG21 THR 34 HG21 THR 34 0.218 1.039 10.159 257 HG22 THR 34 HG22 THR 34 -1.270 1.212 11.092 258 HG23 THR 34 HG23 THR 34 -1.342 0.718 9.400 259 H MET 35 HN MET 35 1.213 -1.231 7.492 260 HA MET 35 HA MET 35 3.740 -0.550 8.849 261 HB2 MET 35 HB2 MET 35 3.240 -2.345 6.525 262 HB3 MET 35 HB1 MET 35 4.717 -1.390 6.536 263 HG2 MET 35 HG2 MET 35 3.869 -3.195 8.772 264 HG3 MET 35 HG1 MET 35 4.944 -3.683 7.467 265 HE1 MET 35 HE1 MET 35 8.058 -1.419 8.049 266 HE2 MET 35 HE2 MET 35 6.695 -1.099 6.976 267 HE3 MET 35 HE3 MET 35 7.360 -2.727 7.098 268 H GLU 36 HN GLU 36 5.208 0.757 7.518 269 HA GLU 36 HA GLU 36 3.649 2.824 6.132 270 HB2 GLU 36 HB2 GLU 36 4.963 3.561 8.079 271 HB3 GLU 36 HB1 GLU 36 6.432 2.980 7.304 272 HG2 GLU 36 HG2 GLU 36 6.228 4.610 5.561 273 HG3 GLU 36 HG1 GLU 36 4.655 5.123 6.165 274 H PHE 37 HN PHE 37 4.132 3.524 4.118 275 HA PHE 37 HA PHE 37 6.044 1.886 2.579 276 HB2 PHE 37 HB2 PHE 37 3.391 3.085 1.743 277 HB3 PHE 37 HB1 PHE 37 4.528 2.346 0.620 278 HD1 PHE 37 HD1 PHE 37 2.356 1.687 3.535 279 HD2 PHE 37 HD2 PHE 37 4.606 -0.001 0.340 280 HE1 PHE 37 HE1 PHE 37 1.332 -0.503 3.976 281 HE2 PHE 37 HE2 PHE 37 3.581 -2.196 0.776 282 HZ PHE 37 HZ PHE 37 1.993 -2.469 2.609 283 H ALA 38 HN ALA 38 7.452 2.905 1.268 284 HA ALA 38 HA ALA 38 7.851 5.732 1.622 285 HB1 ALA 38 HB1 ALA 38 9.824 5.411 0.209 286 HB2 ALA 38 HB2 ALA 38 9.302 3.765 -0.153 287 HB3 ALA 38 HB3 ALA 38 9.758 4.204 1.494 288 H ALA 39 HN ALA 39 7.248 7.328 0.291 289 HA ALA 39 HA ALA 39 5.504 6.599 -1.928 290 HB1 ALA 39 HB1 ALA 39 4.688 8.194 -0.263 291 HB2 ALA 39 HB2 ALA 39 4.792 8.934 -1.862 292 HB3 ALA 39 HB3 ALA 39 6.022 9.281 -0.647 293 HA PRO 40 HA PRO 40 8.270 7.773 -5.218 294 HB2 PRO 40 HB2 PRO 40 5.934 9.235 -6.325 295 HB3 PRO 40 HB1 PRO 40 6.938 7.991 -7.075 296 HG2 PRO 40 HG2 PRO 40 4.463 7.445 -6.238 297 HG3 PRO 40 HG1 PRO 40 5.772 6.259 -6.072 298 HD2 PRO 40 HD2 PRO 40 4.531 8.020 -4.003 299 HD3 PRO 40 HD1 PRO 40 5.117 6.350 -3.864 300 HA PRO 41 HA PRO 41 9.590 11.873 -4.078 301 HB2 PRO 41 HB2 PRO 41 10.713 11.986 -6.819 302 HB3 PRO 41 HB1 PRO 41 11.522 12.182 -5.260 303 HG2 PRO 41 HG2 PRO 41 11.844 9.960 -6.708 304 HG3 PRO 41 HG1 PRO 41 11.741 9.898 -4.938 305 HD2 PRO 41 HD2 PRO 41 9.664 9.230 -6.985 306 HD3 PRO 41 HD1 PRO 41 10.040 8.416 -5.451 307 H ALA 42 HN ALA 42 7.607 11.172 -6.802 308 HA ALA 42 HA ALA 42 7.091 13.957 -7.437 309 HB1 ALA 42 HB1 ALA 42 7.148 12.263 -9.220 310 HB2 ALA 42 HB2 ALA 42 5.601 13.104 -9.147 311 HB3 ALA 42 HB3 ALA 42 5.749 11.473 -8.495 312 H GLY 43 HN GLY 43 6.108 11.877 -5.054 313 HA2 GLY 43 HA2 GLY 43 4.632 12.424 -3.351 314 HA3 GLY 43 HA1 GLY 43 3.892 13.619 -4.399 315 H LEU 44 HN LEU 44 2.159 12.342 -3.078 316 HA LEU 44 HA LEU 44 1.287 9.937 -4.503 317 HB2 LEU 44 HB2 LEU 44 0.207 11.239 -1.997 318 HB3 LEU 44 HB1 LEU 44 -0.415 9.764 -2.709 319 HG LEU 44 HG LEU 44 0.904 9.084 -0.896 320 HD11 LEU 44 HD11 LEU 44 2.581 8.813 -3.381 321 HD12 LEU 44 HD12 LEU 44 1.288 7.735 -2.856 322 HD13 LEU 44 HD13 LEU 44 2.770 7.860 -1.910 323 HD21 LEU 44 HD21 LEU 44 3.063 10.936 -1.889 324 HD22 LEU 44 HD22 LEU 44 3.220 9.818 -0.532 325 HD23 LEU 44 HD23 LEU 44 2.069 11.152 -0.447 326 HA PRO 45 HA PRO 45 -2.112 12.069 -6.520 327 HB2 PRO 45 HB2 PRO 45 -3.746 9.677 -6.123 328 HB3 PRO 45 HB1 PRO 45 -3.155 10.385 -7.629 329 HG2 PRO 45 HG2 PRO 45 -2.217 8.047 -6.668 330 HG3 PRO 45 HG1 PRO 45 -1.206 9.174 -7.592 331 HD2 PRO 45 HD2 PRO 45 -1.331 8.727 -4.633 332 HD3 PRO 45 HD1 PRO 45 0.082 8.991 -5.679 333 H GLN 46 HN GLN 46 -4.750 11.683 -6.101 334 HA GLN 46 HA GLN 46 -5.124 12.451 -3.279 335 HB2 GLN 46 HB2 GLN 46 -6.808 13.287 -5.643 336 HB3 GLN 46 HB1 GLN 46 -6.925 13.887 -3.995 337 HG2 GLN 46 HG2 GLN 46 -5.491 15.493 -4.465 338 HG3 GLN 46 HG1 GLN 46 -4.264 14.290 -4.861 339 HE21 GLN 46 HE21 GLN 46 -5.915 13.228 -7.077 340 HE22 GLN 46 HE22 GLN 46 -5.756 14.384 -8.359 341 H GLY 47 HN GLY 47 -7.156 11.835 -2.301 342 HA2 GLY 47 HA2 GLY 47 -9.173 10.599 -2.235 343 HA3 GLY 47 HA1 GLY 47 -8.698 9.794 -3.724 344 H LEU 48 HN LEU 48 -6.269 10.014 -1.347 345 HA LEU 48 HA LEU 48 -6.789 7.305 -0.403 346 HB2 LEU 48 HB2 LEU 48 -4.240 6.998 -0.836 347 HB3 LEU 48 HB1 LEU 48 -5.397 6.772 -2.127 348 HG LEU 48 HG LEU 48 -4.905 9.232 -2.725 349 HD11 LEU 48 HD11 LEU 48 -2.426 8.609 -1.132 350 HD12 LEU 48 HD12 LEU 48 -3.661 9.789 -0.696 351 HD13 LEU 48 HD13 LEU 48 -2.688 10.026 -2.149 352 HD21 LEU 48 HD21 LEU 48 -3.000 8.550 -4.096 353 HD22 LEU 48 HD22 LEU 48 -4.295 7.353 -4.113 354 HD23 LEU 48 HD23 LEU 48 -2.850 7.076 -3.141 355 H LYS 49 HN LYS 49 -7.295 9.244 1.284 356 HA LYS 49 HA LYS 49 -4.861 9.912 2.773 357 HB2 LYS 49 HB2 LYS 49 -7.704 10.899 3.063 358 HB3 LYS 49 HB1 LYS 49 -6.370 11.400 4.091 359 HG2 LYS 49 HG2 LYS 49 -6.530 11.828 1.120 360 HG3 LYS 49 HG1 LYS 49 -6.889 13.039 2.351 361 HD2 LYS 49 HD2 LYS 49 -4.585 12.842 3.186 362 HD3 LYS 49 HD1 LYS 49 -4.237 11.676 1.905 363 HE2 LYS 49 HE2 LYS 49 -4.828 13.389 0.227 364 HE3 LYS 49 HE1 LYS 49 -5.084 14.547 1.529 365 HZ1 LYS 49 HZ1 LYS 49 -2.925 14.877 0.609 366 HZ2 LYS 49 HZ2 LYS 49 -2.523 13.242 0.783 367 HZ3 LYS 49 HZ3 LYS 49 -2.730 14.217 2.160 368 H ALA 50 HN ALA 50 -5.110 9.879 5.205 369 HA ALA 50 HA ALA 50 -5.348 7.387 6.274 370 HB1 ALA 50 HB1 ALA 50 -5.554 8.487 8.442 371 HB2 ALA 50 HB2 ALA 50 -6.004 9.993 7.640 372 HB3 ALA 50 HB3 ALA 50 -4.389 9.326 7.416 373 H GLY 51 HN GLY 51 -6.989 6.003 6.323 374 HA2 GLY 51 HA2 GLY 51 -9.134 5.452 7.316 375 HA3 GLY 51 HA1 GLY 51 -9.702 7.043 6.837 376 H ASP 52 HN ASP 52 -8.093 6.395 4.202 377 HA ASP 52 HA ASP 52 -10.474 5.449 2.839 378 HB2 ASP 52 HB2 ASP 52 -7.842 6.533 1.874 379 HB3 ASP 52 HB1 ASP 52 -8.971 5.755 0.774 380 H ARG 53 HN ARG 53 -10.480 3.767 1.303 381 HA ARG 53 HA ARG 53 -8.503 1.675 1.835 382 HB2 ARG 53 HB2 ARG 53 -10.880 1.080 2.168 383 HB3 ARG 53 HB1 ARG 53 -11.185 1.446 0.475 384 HG2 ARG 53 HG2 ARG 53 -10.002 -0.385 -0.280 385 HG3 ARG 53 HG1 ARG 53 -9.081 -0.529 1.216 386 HD2 ARG 53 HD2 ARG 53 -11.030 -1.341 2.383 387 HD3 ARG 53 HD1 ARG 53 -12.031 -1.081 0.952 388 HE ARG 53 HE ARG 53 -10.914 -2.892 -0.117 389 HH11 ARG 53 HH11 ARG 53 -10.125 -2.518 3.281 390 HH12 ARG 53 HH12 ARG 53 -9.501 -4.127 3.449 391 HH21 ARG 53 HH21 ARG 53 -10.064 -5.007 0.101 392 HH22 ARG 53 HH22 ARG 53 -9.420 -5.536 1.630 393 H VAL 54 HN VAL 54 -7.033 1.207 0.311 394 HA VAL 54 HA VAL 54 -7.494 2.171 -2.427 395 HB VAL 54 HB VAL 54 -5.040 2.793 -2.509 396 HG11 VAL 54 HG11 VAL 54 -5.363 4.949 -1.422 397 HG12 VAL 54 HG12 VAL 54 -6.755 4.316 -0.543 398 HG13 VAL 54 HG13 VAL 54 -6.817 4.472 -2.299 399 HG21 VAL 54 HG21 VAL 54 -3.920 3.214 -0.378 400 HG22 VAL 54 HG22 VAL 54 -4.323 1.506 -0.559 401 HG23 VAL 54 HG23 VAL 54 -5.299 2.537 0.489 402 H ALA 55 HN ALA 55 -6.238 1.117 -4.054 403 HA ALA 55 HA ALA 55 -5.201 -1.533 -3.267 404 HB1 ALA 55 HB1 ALA 55 -6.442 -0.680 -5.887 405 HB2 ALA 55 HB2 ALA 55 -7.190 -1.712 -4.670 406 HB3 ALA 55 HB3 ALA 55 -5.766 -2.274 -5.547 407 H PHE 56 HN PHE 56 -3.043 -1.741 -3.513 408 HA PHE 56 HA PHE 56 -1.701 0.128 -5.329 409 HB2 PHE 56 HB2 PHE 56 -0.052 0.634 -3.509 410 HB3 PHE 56 HB1 PHE 56 -1.662 1.280 -3.261 411 HD1 PHE 56 HD1 PHE 56 -3.167 0.245 -1.582 412 HD2 PHE 56 HD2 PHE 56 0.909 -0.915 -1.994 413 HE1 PHE 56 HE1 PHE 56 -3.246 -0.822 0.633 414 HE2 PHE 56 HE2 PHE 56 0.835 -1.981 0.221 415 HZ PHE 56 HZ PHE 56 -1.244 -1.855 1.574 416 H SER 57 HN SER 57 0.720 -0.289 -5.337 417 HA SER 57 HA SER 57 1.372 -3.115 -4.912 418 HB2 SER 57 HB2 SER 57 2.561 -3.192 -7.055 419 HB3 SER 57 HB1 SER 57 0.859 -2.813 -7.311 420 HG SER 57 HG SER 57 2.912 -1.467 -8.194 421 H PHE 58 HN PHE 58 3.568 -3.477 -4.395 422 HA PHE 58 HA PHE 58 5.245 -1.098 -4.151 423 HB2 PHE 58 HB2 PHE 58 5.803 -1.559 -1.839 424 HB3 PHE 58 HB1 PHE 58 4.068 -1.326 -1.996 425 HD1 PHE 58 HD1 PHE 58 2.561 -3.340 -1.971 426 HD2 PHE 58 HD2 PHE 58 6.693 -3.558 -0.972 427 HE1 PHE 58 HE1 PHE 58 2.177 -5.491 -0.841 428 HE2 PHE 58 HE2 PHE 58 6.312 -5.710 0.150 429 HZ PHE 58 HZ PHE 58 4.054 -6.678 0.219 430 H ARG 59 HN ARG 59 7.431 -1.483 -4.081 431 HA ARG 59 HA ARG 59 8.273 -4.217 -4.745 432 HB2 ARG 59 HB2 ARG 59 9.578 -1.537 -5.222 433 HB3 ARG 59 HB1 ARG 59 10.401 -3.067 -5.495 434 HG2 ARG 59 HG2 ARG 59 8.744 -3.677 -7.165 435 HG3 ARG 59 HG1 ARG 59 7.876 -2.170 -6.870 436 HD2 ARG 59 HD2 ARG 59 9.298 -2.059 -8.875 437 HD3 ARG 59 HD1 ARG 59 9.764 -0.883 -7.646 438 HE ARG 59 HE ARG 59 11.375 -3.004 -7.123 439 HH11 ARG 59 HH11 ARG 59 10.699 -1.159 -10.031 440 HH12 ARG 59 HH12 ARG 59 12.284 -1.391 -10.692 441 HH21 ARG 59 HH21 ARG 59 13.461 -3.298 -7.986 442 HH22 ARG 59 HH22 ARG 59 13.860 -2.611 -9.536 443 H LEU 60 HN LEU 60 10.041 -5.139 -3.640 444 HA LEU 60 HA LEU 60 10.357 -4.016 -0.946 445 HB2 LEU 60 HB2 LEU 60 10.285 -6.816 -1.980 446 HB3 LEU 60 HB1 LEU 60 11.129 -6.465 -0.484 447 HG LEU 60 HG LEU 60 8.205 -5.926 -1.014 448 HD11 LEU 60 HD11 LEU 60 8.677 -8.299 -0.813 449 HD12 LEU 60 HD12 LEU 60 7.846 -7.716 0.630 450 HD13 LEU 60 HD13 LEU 60 9.585 -8.010 0.671 451 HD21 LEU 60 HD21 LEU 60 8.133 -5.431 1.404 452 HD22 LEU 60 HD22 LEU 60 9.138 -4.291 0.510 453 HD23 LEU 60 HD23 LEU 60 9.892 -5.568 1.464 454 H ASP 61 HN ASP 61 12.252 -3.388 -0.266 455 HA ASP 61 HA ASP 61 14.654 -3.993 -1.795 456 HB2 ASP 61 HB2 ASP 61 14.277 -2.309 0.687 457 HB3 ASP 61 HB1 ASP 61 15.779 -2.470 -0.198 458 HA PRO 62 HA PRO 62 16.100 -7.202 0.806 459 HB2 PRO 62 HB2 PRO 62 18.758 -6.035 1.138 460 HB3 PRO 62 HB1 PRO 62 18.270 -7.444 0.193 461 HG2 PRO 62 HG2 PRO 62 19.073 -5.147 -0.965 462 HG3 PRO 62 HG1 PRO 62 17.840 -6.192 -1.695 463 HD2 PRO 62 HD2 PRO 62 17.482 -3.681 -0.090 464 HD3 PRO 62 HD1 PRO 62 16.669 -4.173 -1.589 465 H HIS 63 HN HIS 63 15.820 -4.152 2.069 466 HA HIS 63 HA HIS 63 16.690 -4.936 4.756 467 HB2 HIS 63 HB2 HIS 63 16.281 -2.388 3.357 468 HB3 HIS 63 HB1 HIS 63 15.634 -2.413 4.991 469 HD1 HIS 63 HD1 HIS 63 17.287 -2.364 6.916 470 HD2 HIS 63 HD2 HIS 63 19.097 -2.677 3.180 471 HE1 HIS 63 HE1 HIS 63 19.740 -1.955 7.308 472 HE2 HIS 63 HE2 HIS 63 20.833 -2.326 5.062 473 H GLY 64 HN GLY 64 14.071 -5.349 2.889 474 HA2 GLY 64 HA2 GLY 64 11.914 -5.993 3.442 475 HA3 GLY 64 HA1 GLY 64 12.260 -5.605 5.125 476 H MET 65 HN MET 65 12.927 -3.317 2.623 477 HA MET 65 HA MET 65 11.014 -1.473 3.805 478 HB2 MET 65 HB2 MET 65 13.127 -1.063 1.679 479 HB3 MET 65 HB1 MET 65 12.069 0.201 2.283 480 HG2 MET 65 HG2 MET 65 13.883 -1.363 4.080 481 HG3 MET 65 HG1 MET 65 14.413 0.089 3.238 482 HE1 MET 65 HE1 MET 65 12.434 -1.393 6.232 483 HE2 MET 65 HE2 MET 65 11.081 -0.973 5.182 484 HE3 MET 65 HE3 MET 65 11.339 -0.087 6.685 485 H ALA 66 HN ALA 66 9.413 -0.398 2.593 486 HA ALA 66 HA ALA 66 8.530 -1.999 0.284 487 HB1 ALA 66 HB1 ALA 66 7.210 -2.483 2.308 488 HB2 ALA 66 HB2 ALA 66 6.240 -1.732 1.041 489 HB3 ALA 66 HB3 ALA 66 6.783 -0.774 2.420 490 H THR 67 HN THR 67 8.807 -0.770 -1.436 491 HA THR 67 HA THR 67 8.391 2.115 -1.189 492 HB THR 67 HB THR 67 9.414 0.906 -3.713 493 HG1 THR 67 HG1 THR 67 10.505 0.380 -1.308 494 HG21 THR 67 HG21 THR 67 10.147 3.324 -2.067 495 HG22 THR 67 HG22 THR 67 9.089 3.320 -3.481 496 HG23 THR 67 HG23 THR 67 10.801 2.927 -3.658 497 H LEU 68 HN LEU 68 6.544 2.951 -1.821 498 HA LEU 68 HA LEU 68 4.528 1.326 -3.017 499 HB2 LEU 68 HB2 LEU 68 4.129 3.108 -1.314 500 HB3 LEU 68 HB1 LEU 68 4.527 4.300 -2.536 501 HG LEU 68 HG LEU 68 2.608 3.615 -3.875 502 HD11 LEU 68 HD11 LEU 68 0.996 2.010 -3.012 503 HD12 LEU 68 HD12 LEU 68 2.028 1.706 -1.616 504 HD13 LEU 68 HD13 LEU 68 2.574 1.254 -3.231 505 HD21 LEU 68 HD21 LEU 68 1.927 4.161 -0.991 506 HD22 LEU 68 HD22 LEU 68 0.844 4.391 -2.365 507 HD23 LEU 68 HD23 LEU 68 2.306 5.369 -2.219 508 H VAL 69 HN VAL 69 4.414 0.885 -5.088 509 HA VAL 69 HA VAL 69 5.803 2.537 -7.026 510 HB VAL 69 HB VAL 69 4.155 0.065 -7.568 511 HG11 VAL 69 HG11 VAL 69 6.398 1.373 -9.102 512 HG12 VAL 69 HG12 VAL 69 4.686 1.407 -9.528 513 HG13 VAL 69 HG13 VAL 69 5.574 -0.118 -9.555 514 HG21 VAL 69 HG21 VAL 69 7.091 0.245 -6.894 515 HG22 VAL 69 HG22 VAL 69 6.249 -1.207 -7.432 516 HG23 VAL 69 HG23 VAL 69 5.833 -0.471 -5.882 517 H THR 70 HN THR 70 2.518 1.217 -6.695 518 HA THR 70 HA THR 70 1.442 3.705 -7.797 519 HB THR 70 HB THR 70 -0.151 2.484 -9.231 520 HG1 THR 70 HG1 THR 70 1.337 0.222 -8.349 521 HG21 THR 70 HG21 THR 70 2.739 1.877 -9.838 522 HG22 THR 70 HG22 THR 70 1.856 3.338 -10.279 523 HG23 THR 70 HG23 THR 70 1.418 1.791 -11.003 524 H VAL 71 HN VAL 71 -0.639 4.206 -7.031 525 HA VAL 71 HA VAL 71 -2.048 2.150 -5.527 526 HB VAL 71 HB VAL 71 -0.692 3.265 -3.801 527 HG11 VAL 71 HG11 VAL 71 -1.063 5.564 -3.184 528 HG12 VAL 71 HG12 VAL 71 -2.216 5.756 -4.502 529 HG13 VAL 71 HG13 VAL 71 -0.508 5.475 -4.856 530 HG21 VAL 71 HG21 VAL 71 -3.639 3.861 -3.637 531 HG22 VAL 71 HG22 VAL 71 -2.526 3.856 -2.270 532 HG23 VAL 71 HG23 VAL 71 -2.839 2.364 -3.159 533 H ALA 72 HN ALA 72 -4.076 2.144 -6.114 534 HA ALA 72 HA ALA 72 -5.248 4.629 -7.176 535 HB1 ALA 72 HB1 ALA 72 -6.011 1.776 -7.801 536 HB2 ALA 72 HB2 ALA 72 -5.060 2.838 -8.841 537 HB3 ALA 72 HB3 ALA 72 -6.745 3.224 -8.490 538 HA PRO 73 HA PRO 73 -7.934 4.718 -3.623 539 HB2 PRO 73 HB2 PRO 73 -9.779 5.938 -5.624 540 HB3 PRO 73 HB1 PRO 73 -9.318 6.518 -4.020 541 HG2 PRO 73 HG2 PRO 73 -8.300 7.637 -6.206 542 HG3 PRO 73 HG1 PRO 73 -7.295 7.376 -4.766 543 HD2 PRO 73 HD2 PRO 73 -7.359 5.864 -7.340 544 HD3 PRO 73 HD1 PRO 73 -5.981 6.247 -6.288 545 H GLN 74 HN GLN 74 -8.821 2.855 -3.040 546 HA GLN 74 HA GLN 74 -10.380 1.251 -4.884 547 HB2 GLN 74 HB2 GLN 74 -8.687 0.678 -2.757 548 HB3 GLN 74 HB1 GLN 74 -10.287 0.341 -2.119 549 HG2 GLN 74 HG2 GLN 74 -10.665 -1.057 -4.190 550 HG3 GLN 74 HG1 GLN 74 -8.939 -0.874 -4.491 551 HE21 GLN 74 HE21 GLN 74 -8.329 -0.904 -1.609 552 HE22 GLN 74 HE22 GLN 74 -8.453 -2.559 -1.133 553 H VAL 75 HN VAL 75 -12.310 0.174 -3.849 554 HA VAL 75 HA VAL 75 -13.815 1.930 -2.081 555 HB VAL 75 HB VAL 75 -15.887 1.420 -3.500 556 HG11 VAL 75 HG11 VAL 75 -15.414 3.294 -5.049 557 HG12 VAL 75 HG12 VAL 75 -13.711 3.202 -4.593 558 HG13 VAL 75 HG13 VAL 75 -14.923 3.636 -3.389 559 HG21 VAL 75 HG21 VAL 75 -13.770 0.859 -5.581 560 HG22 VAL 75 HG22 VAL 75 -15.504 1.003 -5.876 561 HG23 VAL 75 HG23 VAL 75 -14.883 -0.328 -4.901 562 H GLN 76 HN GLN 76 -13.572 0.554 -0.411 563 HA GLN 76 HA GLN 76 -13.583 -1.326 0.842 564 HB2 GLN 76 HB2 GLN 76 -15.692 -2.676 0.788 565 HB3 GLN 76 HB1 GLN 76 -15.939 -0.952 0.995 566 HG2 GLN 76 HG2 GLN 76 -16.848 -0.706 -1.123 567 HG3 GLN 76 HG1 GLN 76 -16.132 -2.204 -1.712 568 HE21 GLN 76 HE21 GLN 76 -17.145 -4.145 -1.302 569 HE22 GLN 76 HE22 GLN 76 -18.773 -4.244 -0.716 570 H THR 77 HN THR 77 -14.749 -3.929 0.183 571 HA THR 77 HA THR 77 -12.623 -4.978 -1.430 572 HB THR 77 HB THR 77 -15.098 -6.501 -0.627 573 HG1 THR 77 HG1 THR 77 -14.068 -6.917 1.361 574 HG21 THR 77 HG21 THR 77 -13.513 -7.617 -2.131 575 HG22 THR 77 HG22 THR 77 -13.528 -8.386 -0.544 576 HG23 THR 77 HG23 THR 77 -12.204 -7.307 -0.989 577 H ALA 78 HN ALA 78 -12.691 -4.433 -3.512 578 HA ALA 78 HA ALA 78 -15.159 -3.858 -4.865 579 HB1 ALA 78 HB1 ALA 78 -12.331 -3.875 -5.906 580 HB2 ALA 78 HB2 ALA 78 -13.164 -2.491 -5.198 581 HB3 ALA 78 HB3 ALA 78 -13.734 -3.179 -6.718 582 H GLY 79 HN GLY 79 -14.432 -6.723 -4.096 583 HA2 GLY 79 HA2 GLY 79 -15.799 -8.238 -5.723 584 HA3 GLY 79 HA1 GLY 79 -14.401 -7.953 -6.753 585 H ALA 80 HN ALA 80 -13.853 -10.116 -6.792 586 HA ALA 80 HA ALA 80 -12.544 -11.078 -4.348 587 HB1 ALA 80 HB1 ALA 80 -14.371 -12.756 -6.068 588 HB2 ALA 80 HB2 ALA 80 -14.736 -12.171 -4.445 589 HB3 ALA 80 HB3 ALA 80 -13.429 -13.329 -4.694 590 H LYS 81 HN LYS 81 -10.746 -12.401 -4.720 591 HA LYS 81 HA LYS 81 -9.747 -12.296 -7.480 592 HB2 LYS 81 HB2 LYS 81 -8.311 -11.147 -5.883 593 HB3 LYS 81 HB1 LYS 81 -8.245 -12.586 -4.871 594 HG2 LYS 81 HG2 LYS 81 -7.191 -13.782 -6.808 595 HG3 LYS 81 HG1 LYS 81 -7.078 -12.219 -7.615 596 HD2 LYS 81 HD2 LYS 81 -5.666 -11.368 -5.849 597 HD3 LYS 81 HD1 LYS 81 -5.852 -12.872 -4.939 598 HE2 LYS 81 HE2 LYS 81 -4.591 -12.606 -7.668 599 HE3 LYS 81 HE1 LYS 81 -3.714 -12.787 -6.150 600 HZ1 LYS 81 HZ1 LYS 81 -4.638 -14.963 -5.860 601 HZ2 LYS 81 HZ2 LYS 81 -3.966 -14.879 -7.415 602 HZ3 LYS 81 HZ3 LYS 81 -5.644 -14.792 -7.216 603 HA PRO 82 HA PRO 82 -10.022 -16.769 -7.683 604 HB2 PRO 82 HB2 PRO 82 -8.064 -16.401 -9.867 605 HB3 PRO 82 HB1 PRO 82 -9.654 -17.172 -9.900 606 HG2 PRO 82 HG2 PRO 82 -9.241 -14.794 -11.047 607 HG3 PRO 82 HG1 PRO 82 -10.765 -15.173 -10.223 608 HD2 PRO 82 HD2 PRO 82 -8.439 -13.549 -9.258 609 HD3 PRO 82 HD1 PRO 82 -10.179 -13.240 -9.077 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 15.257 -5.335 -6.308 2 H2 GLY 1 HT2 GLY 1 13.719 -4.651 -6.485 3 H3 GLY 1 HT3 GLY 1 14.338 -5.666 -7.697 4 HA2 GLY 1 HA1 GLY 1 14.312 -7.541 -6.157 5 HA3 GLY 1 HA2 GLY 1 13.631 -6.477 -4.932 6 HA PRO 2 HA PRO 2 10.242 -8.566 -7.433 7 HB2 PRO 2 HB2 PRO 2 8.944 -9.714 -5.346 8 HB3 PRO 2 HB1 PRO 2 10.285 -10.497 -6.191 9 HG2 PRO 2 HG2 PRO 2 10.294 -8.997 -3.602 10 HG3 PRO 2 HG1 PRO 2 11.113 -10.513 -4.020 11 HD2 PRO 2 HD2 PRO 2 12.388 -8.116 -3.972 12 HD3 PRO 2 HD1 PRO 2 12.851 -9.428 -5.073 13 H GLU 3 HN GLU 3 8.190 -7.812 -7.714 14 HA GLU 3 HA GLU 3 7.340 -5.612 -5.939 15 HB2 GLU 3 HB2 GLU 3 7.972 -5.012 -8.295 16 HB3 GLU 3 HB1 GLU 3 6.667 -6.042 -8.860 17 HG2 GLU 3 HG2 GLU 3 5.062 -4.601 -7.649 18 HG3 GLU 3 HG1 GLU 3 6.402 -3.541 -7.207 19 H HIS 4 HN HIS 4 5.314 -5.709 -5.067 20 HA HIS 4 HA HIS 4 3.607 -7.968 -5.862 21 HB2 HIS 4 HB2 HIS 4 4.329 -7.269 -3.007 22 HB3 HIS 4 HB1 HIS 4 3.254 -8.565 -3.520 23 HD1 HIS 4 HD1 HIS 4 4.596 -10.374 -5.213 24 HD2 HIS 4 HD2 HIS 4 6.831 -8.117 -2.528 25 HE1 HIS 4 HE1 HIS 4 6.754 -11.628 -4.902 26 HE2 HIS 4 HE2 HIS 4 7.954 -10.394 -3.057 27 H ARG 5 HN ARG 5 1.358 -7.732 -5.099 28 HA ARG 5 HA ARG 5 0.658 -4.897 -4.771 29 HB2 ARG 5 HB2 ARG 5 -0.879 -7.200 -5.948 30 HB3 ARG 5 HB1 ARG 5 -1.656 -5.684 -5.499 31 HG2 ARG 5 HG2 ARG 5 -0.006 -4.528 -7.010 32 HG3 ARG 5 HG1 ARG 5 0.474 -6.129 -7.575 33 HD2 ARG 5 HD2 ARG 5 -1.750 -6.573 -8.364 34 HD3 ARG 5 HD1 ARG 5 -2.344 -5.069 -7.661 35 HE ARG 5 HE ARG 5 -0.438 -5.211 -9.916 36 HH11 ARG 5 HH11 ARG 5 -3.117 -3.696 -8.244 37 HH12 ARG 5 HH12 ARG 5 -3.319 -2.433 -9.426 38 HH21 ARG 5 HH21 ARG 5 -0.696 -3.559 -11.487 39 HH22 ARG 5 HH22 ARG 5 -1.938 -2.360 -11.267 40 H ALA 6 HN ALA 6 -1.147 -4.357 -3.420 41 HA ALA 6 HA ALA 6 -2.156 -6.317 -1.557 42 HB1 ALA 6 HB1 ALA 6 -1.358 -5.201 0.457 43 HB2 ALA 6 HB2 ALA 6 -0.451 -4.049 -0.521 44 HB3 ALA 6 HB3 ALA 6 0.001 -5.755 -0.521 45 H VAL 7 HN VAL 7 -3.964 -5.529 -0.383 46 HA VAL 7 HA VAL 7 -4.823 -2.811 -1.139 47 HB VAL 7 HB VAL 7 -7.164 -3.536 -0.812 48 HG11 VAL 7 HG11 VAL 7 -7.355 -4.835 -2.890 49 HG12 VAL 7 HG12 VAL 7 -5.615 -5.117 -2.855 50 HG13 VAL 7 HG13 VAL 7 -6.240 -3.479 -3.044 51 HG21 VAL 7 HG21 VAL 7 -5.998 -6.314 -0.605 52 HG22 VAL 7 HG22 VAL 7 -7.714 -5.923 -0.725 53 HG23 VAL 7 HG23 VAL 7 -6.793 -5.425 0.693 54 H GLY 8 HN GLY 8 -5.798 -1.532 0.487 55 HA2 GLY 8 HA2 GLY 8 -6.012 -2.480 3.179 56 HA3 GLY 8 HA1 GLY 8 -4.518 -1.604 2.918 57 H ARG 9 HN ARG 9 -6.017 -0.614 4.741 58 HA ARG 9 HA ARG 9 -7.388 1.683 3.524 59 HB2 ARG 9 HB2 ARG 9 -8.850 0.447 5.051 60 HB3 ARG 9 HB1 ARG 9 -7.630 0.531 6.315 61 HG2 ARG 9 HG2 ARG 9 -7.849 3.001 6.293 62 HG3 ARG 9 HG1 ARG 9 -9.171 2.833 5.137 63 HD2 ARG 9 HD2 ARG 9 -9.994 3.109 7.426 64 HD3 ARG 9 HD1 ARG 9 -10.447 1.545 6.754 65 HE ARG 9 HE ARG 9 -8.277 0.840 8.050 66 HH11 ARG 9 HH11 ARG 9 -10.762 3.073 9.076 67 HH12 ARG 9 HH12 ARG 9 -10.567 2.719 10.766 68 HH21 ARG 9 HH21 ARG 9 -8.018 0.365 10.281 69 HH22 ARG 9 HH22 ARG 9 -9.029 1.156 11.446 70 H ILE 10 HN ILE 10 -6.480 3.618 3.777 71 HA ILE 10 HA ILE 10 -3.798 3.779 4.588 72 HB ILE 10 HB ILE 10 -5.733 6.075 4.342 73 HG12 ILE 10 HG12 ILE 10 -5.771 4.769 2.301 74 HG13 ILE 10 HG11 ILE 10 -4.862 6.251 2.019 75 HG21 ILE 10 HG21 ILE 10 -3.676 6.676 5.469 76 HG22 ILE 10 HG22 ILE 10 -3.714 7.383 3.854 77 HG23 ILE 10 HG23 ILE 10 -2.728 5.956 4.165 78 HD11 ILE 10 HD11 ILE 10 -3.710 3.523 2.526 79 HD12 ILE 10 HD12 ILE 10 -2.776 5.002 2.282 80 HD13 ILE 10 HD13 ILE 10 -3.780 4.368 0.977 81 H GLN 11 HN GLN 11 -2.862 4.092 6.450 82 HA GLN 11 HA GLN 11 -4.504 4.337 8.832 83 HB2 GLN 11 HB2 GLN 11 -2.685 2.630 8.598 84 HB3 GLN 11 HB1 GLN 11 -1.520 3.939 8.563 85 HG2 GLN 11 HG2 GLN 11 -1.611 2.921 10.737 86 HG3 GLN 11 HG1 GLN 11 -2.170 4.590 10.811 87 HE21 GLN 11 HE21 GLN 11 -4.077 1.926 9.583 88 HE22 GLN 11 HE22 GLN 11 -5.238 1.910 10.866 89 H SER 12 HN SER 12 -1.821 5.979 7.211 90 HA SER 12 HA SER 12 -2.771 8.553 7.916 91 HB2 SER 12 HB2 SER 12 -1.785 7.755 10.114 92 HB3 SER 12 HB1 SER 12 -0.215 7.776 9.312 93 HG SER 12 HG SER 12 -0.142 9.834 9.668 94 H ILE 13 HN ILE 13 -1.408 10.247 7.082 95 HA ILE 13 HA ILE 13 0.409 9.287 4.973 96 HB ILE 13 HB ILE 13 -1.264 11.798 5.174 97 HG12 ILE 13 HG12 ILE 13 -1.200 9.551 3.152 98 HG13 ILE 13 HG11 ILE 13 -2.393 9.743 4.429 99 HG21 ILE 13 HG21 ILE 13 -0.329 12.494 3.027 100 HG22 ILE 13 HG22 ILE 13 0.784 11.127 3.065 101 HG23 ILE 13 HG23 ILE 13 0.918 12.406 4.270 102 HD11 ILE 13 HD11 ILE 13 -3.197 11.778 3.420 103 HD12 ILE 13 HD12 ILE 13 -3.210 10.468 2.236 104 HD13 ILE 13 HD13 ILE 13 -1.939 11.692 2.187 105 H GLY 14 HN GLY 14 2.482 9.938 4.973 106 HA2 GLY 14 HA2 GLY 14 3.336 11.737 7.140 107 HA3 GLY 14 HA1 GLY 14 4.329 10.484 6.422 108 H GLU 15 HN GLU 15 5.935 12.111 6.159 109 HA GLU 15 HA GLU 15 5.477 14.413 4.515 110 HB2 GLU 15 HB2 GLU 15 8.200 13.263 5.018 111 HB3 GLU 15 HB1 GLU 15 7.714 14.948 4.913 112 HG2 GLU 15 HG2 GLU 15 7.073 13.085 7.186 113 HG3 GLU 15 HG1 GLU 15 8.359 14.289 7.179 114 H ARG 16 HN ARG 16 7.044 11.287 4.139 115 HA ARG 16 HA ARG 16 6.765 11.463 1.236 116 HB2 ARG 16 HB2 ARG 16 9.171 10.505 1.111 117 HB3 ARG 16 HB1 ARG 16 8.950 12.231 1.287 118 HG2 ARG 16 HG2 ARG 16 10.689 11.660 2.757 119 HG3 ARG 16 HG1 ARG 16 9.270 11.875 3.779 120 HD2 ARG 16 HD2 ARG 16 10.519 9.905 4.460 121 HD3 ARG 16 HD1 ARG 16 8.944 9.443 3.816 122 HE ARG 16 HE ARG 16 10.575 9.263 1.661 123 HH11 ARG 16 HH11 ARG 16 10.673 7.904 4.886 124 HH12 ARG 16 HH12 ARG 16 11.592 6.511 4.408 125 HH21 ARG 16 HH21 ARG 16 11.742 7.435 1.021 126 HH22 ARG 16 HH22 ARG 16 12.190 6.230 2.196 127 H SER 17 HN SER 17 5.859 9.899 3.712 128 HA SER 17 HA SER 17 5.697 7.379 2.366 129 HB2 SER 17 HB2 SER 17 6.519 6.178 4.520 130 HB3 SER 17 HB1 SER 17 7.706 6.773 3.371 131 HG SER 17 HG SER 17 7.444 7.379 5.947 132 H LEU 18 HN LEU 18 3.963 6.164 3.085 133 HA LEU 18 HA LEU 18 2.383 7.444 5.220 134 HB2 LEU 18 HB2 LEU 18 0.744 6.119 3.216 135 HB3 LEU 18 HB1 LEU 18 0.553 7.681 3.971 136 HG LEU 18 HG LEU 18 2.458 7.200 1.683 137 HD11 LEU 18 HD11 LEU 18 -0.410 8.130 1.608 138 HD12 LEU 18 HD12 LEU 18 0.232 6.637 0.924 139 HD13 LEU 18 HD13 LEU 18 0.715 8.193 0.251 140 HD21 LEU 18 HD21 LEU 18 2.870 9.198 3.054 141 HD22 LEU 18 HD22 LEU 18 1.208 9.719 2.776 142 HD23 LEU 18 HD23 LEU 18 2.336 9.614 1.424 143 H ILE 19 HN ILE 19 1.310 6.102 6.586 144 HA ILE 19 HA ILE 19 2.106 3.302 6.499 145 HB ILE 19 HB ILE 19 0.435 4.636 8.633 146 HG12 ILE 19 HG12 ILE 19 3.452 4.370 8.592 147 HG13 ILE 19 HG11 ILE 19 2.585 5.866 8.263 148 HG21 ILE 19 HG21 ILE 19 2.204 2.183 8.640 149 HG22 ILE 19 HG22 ILE 19 0.439 2.207 8.679 150 HG23 ILE 19 HG23 ILE 19 1.360 2.834 10.047 151 HD11 ILE 19 HD11 ILE 19 1.653 5.815 10.521 152 HD12 ILE 19 HD12 ILE 19 3.417 5.823 10.536 153 HD13 ILE 19 HD13 ILE 19 2.541 4.327 10.848 154 H ILE 20 HN ILE 20 0.774 1.718 5.869 155 HA ILE 20 HA ILE 20 -2.084 2.372 5.537 156 HB ILE 20 HB ILE 20 -0.433 0.674 3.656 157 HG12 ILE 20 HG12 ILE 20 -1.548 3.454 3.224 158 HG13 ILE 20 HG11 ILE 20 0.144 3.093 3.544 159 HG21 ILE 20 HG21 ILE 20 -2.418 0.733 2.230 160 HG22 ILE 20 HG22 ILE 20 -3.277 1.654 3.464 161 HG23 ILE 20 HG23 ILE 20 -2.767 -0.001 3.796 162 HD11 ILE 20 HD11 ILE 20 0.259 1.815 1.467 163 HD12 ILE 20 HD12 ILE 20 -0.245 3.481 1.183 164 HD13 ILE 20 HD13 ILE 20 -1.437 2.182 1.152 165 H ALA 21 HN ALA 21 -3.370 1.033 6.648 166 HA ALA 21 HA ALA 21 -2.431 -1.465 7.709 167 HB1 ALA 21 HB1 ALA 21 -5.222 -0.324 7.577 168 HB2 ALA 21 HB2 ALA 21 -4.107 -0.193 8.940 169 HB3 ALA 21 HB3 ALA 21 -4.751 -1.769 8.471 170 H HIS 22 HN HIS 22 -1.825 -2.709 5.985 171 HA HIS 22 HA HIS 22 -3.788 -3.195 3.880 172 HB2 HIS 22 HB2 HIS 22 -1.932 -4.363 2.710 173 HB3 HIS 22 HB1 HIS 22 -1.562 -2.683 3.080 174 HD1 HIS 22 HD1 HIS 22 -0.848 -6.155 4.474 175 HD2 HIS 22 HD2 HIS 22 0.813 -2.341 4.340 176 HE1 HIS 22 HE1 HIS 22 1.427 -6.366 5.527 177 HE2 HIS 22 HE2 HIS 22 2.478 -4.092 5.262 178 H GLU 23 HN GLU 23 -4.222 -5.345 3.186 179 HA GLU 23 HA GLU 23 -4.797 -7.160 5.246 180 HB2 GLU 23 HB2 GLU 23 -5.276 -8.745 3.325 181 HB3 GLU 23 HB1 GLU 23 -6.210 -7.262 3.419 182 HG2 GLU 23 HG2 GLU 23 -5.692 -7.505 1.205 183 HG3 GLU 23 HG1 GLU 23 -4.580 -6.280 1.782 184 H ALA 24 HN ALA 24 -4.057 -9.673 4.154 185 HA ALA 24 HA ALA 24 -1.702 -10.009 5.643 186 HB1 ALA 24 HB1 ALA 24 -1.788 -12.327 4.979 187 HB2 ALA 24 HB2 ALA 24 -2.913 -11.939 3.677 188 HB3 ALA 24 HB3 ALA 24 -3.412 -11.750 5.357 189 H ILE 25 HN ILE 25 -2.245 -9.693 2.217 190 HA ILE 25 HA ILE 25 -0.876 -9.499 0.438 191 HB ILE 25 HB ILE 25 1.422 -9.236 2.392 192 HG12 ILE 25 HG12 ILE 25 -0.362 -7.167 1.090 193 HG13 ILE 25 HG11 ILE 25 -0.150 -7.463 2.812 194 HG21 ILE 25 HG21 ILE 25 2.133 -9.845 0.135 195 HG22 ILE 25 HG22 ILE 25 2.585 -8.179 0.500 196 HG23 ILE 25 HG23 ILE 25 1.196 -8.509 -0.535 197 HD11 ILE 25 HD11 ILE 25 1.934 -6.375 0.935 198 HD12 ILE 25 HD12 ILE 25 2.156 -6.683 2.656 199 HD13 ILE 25 HD13 ILE 25 1.011 -5.454 2.122 200 HA PRO 26 HA PRO 26 0.040 -13.991 0.720 201 HB2 PRO 26 HB2 PRO 26 -1.306 -14.015 -1.883 202 HB3 PRO 26 HB1 PRO 26 -1.700 -14.918 -0.420 203 HG2 PRO 26 HG2 PRO 26 -3.254 -12.916 -1.333 204 HG3 PRO 26 HG1 PRO 26 -3.069 -13.256 0.397 205 HD2 PRO 26 HD2 PRO 26 -1.757 -11.143 -1.272 206 HD3 PRO 26 HD1 PRO 26 -2.440 -11.021 0.364 207 H SER 27 HN SER 27 0.946 -11.394 -1.111 208 HA SER 27 HA SER 27 2.528 -12.840 -3.062 209 HB2 SER 27 HB2 SER 27 2.398 -9.866 -2.504 210 HB3 SER 27 HB1 SER 27 3.065 -10.640 -3.941 211 HG SER 27 HG SER 27 0.651 -11.573 -3.781 212 H ALA 28 HN ALA 28 2.892 -11.505 0.095 213 HA ALA 28 HA ALA 28 5.822 -11.724 -0.157 214 HB1 ALA 28 HB1 ALA 28 5.146 -9.384 0.026 215 HB2 ALA 28 HB2 ALA 28 6.067 -9.903 1.437 216 HB3 ALA 28 HB3 ALA 28 4.314 -9.741 1.540 217 H GLN 29 HN GLN 29 3.202 -13.142 1.158 218 HA GLN 29 HA GLN 29 2.910 -14.736 2.743 219 HB2 GLN 29 HB2 GLN 29 5.894 -14.605 2.640 220 HB3 GLN 29 HB1 GLN 29 5.117 -15.556 3.893 221 HG2 GLN 29 HG2 GLN 29 5.763 -16.907 1.962 222 HG3 GLN 29 HG1 GLN 29 4.024 -16.925 2.236 223 HE21 GLN 29 HE21 GLN 29 2.663 -15.956 0.763 224 HE22 GLN 29 HE22 GLN 29 3.194 -15.490 -0.821 225 H TRP 30 HN TRP 30 2.753 -11.938 3.435 226 HA TRP 30 HA TRP 30 3.652 -11.914 6.213 227 HB2 TRP 30 HB2 TRP 30 2.430 -9.743 4.498 228 HB3 TRP 30 HB1 TRP 30 2.816 -9.545 6.203 229 HD1 TRP 30 HD1 TRP 30 5.646 -11.397 5.527 230 HE1 TRP 30 HE1 TRP 30 7.646 -10.025 4.655 231 HE3 TRP 30 HE3 TRP 30 3.153 -7.183 4.048 232 HZ2 TRP 30 HZ2 TRP 30 8.097 -7.496 3.500 233 HZ3 TRP 30 HZ3 TRP 30 4.447 -5.333 3.073 234 HH2 TRP 30 HH2 TRP 30 6.869 -5.487 2.806 235 H GLY 31 HN GLY 31 1.934 -10.796 7.731 236 HA2 GLY 31 HA2 GLY 31 -0.591 -12.274 7.302 237 HA3 GLY 31 HA1 GLY 31 0.245 -12.280 8.845 238 H ALA 32 HN ALA 32 -0.302 -9.553 6.673 239 HA ALA 32 HA ALA 32 -1.544 -7.659 6.814 240 HB1 ALA 32 HB1 ALA 32 -3.447 -9.153 7.107 241 HB2 ALA 32 HB2 ALA 32 -3.645 -7.680 8.054 242 HB3 ALA 32 HB3 ALA 32 -3.170 -9.179 8.848 243 H MET 33 HN MET 33 -0.616 -5.922 7.615 244 HA MET 33 HA MET 33 -0.687 -5.305 10.394 245 HB2 MET 33 HB2 MET 33 1.784 -5.065 10.675 246 HB3 MET 33 HB1 MET 33 1.231 -6.729 10.553 247 HG2 MET 33 HG2 MET 33 1.913 -6.773 8.200 248 HG3 MET 33 HG1 MET 33 2.504 -5.120 8.352 249 HE1 MET 33 HE1 MET 33 5.714 -7.480 8.118 250 HE2 MET 33 HE2 MET 33 4.806 -6.205 7.303 251 HE3 MET 33 HE3 MET 33 4.140 -7.835 7.403 252 H THR 34 HN THR 34 0.110 -3.164 10.865 253 HA THR 34 HA THR 34 -0.416 -1.337 8.738 254 HB THR 34 HB THR 34 0.455 0.163 10.830 255 HG1 THR 34 HG1 THR 34 0.646 -1.076 12.516 256 HG21 THR 34 HG21 THR 34 -2.280 -1.066 10.509 257 HG22 THR 34 HG22 THR 34 -1.704 0.406 9.725 258 HG23 THR 34 HG23 THR 34 -1.910 0.361 11.475 259 H MET 35 HN MET 35 1.142 -1.077 7.252 260 HA MET 35 HA MET 35 3.908 -0.713 8.203 261 HB2 MET 35 HB2 MET 35 3.785 -2.797 7.036 262 HB3 MET 35 HB1 MET 35 2.915 -2.064 5.698 263 HG2 MET 35 HG2 MET 35 4.815 -0.986 4.892 264 HG3 MET 35 HG1 MET 35 5.682 -1.176 6.417 265 HE1 MET 35 HE1 MET 35 5.178 -4.094 7.231 266 HE2 MET 35 HE2 MET 35 6.774 -3.345 7.249 267 HE3 MET 35 HE3 MET 35 6.550 -4.924 6.494 268 H GLU 36 HN GLU 36 5.114 0.911 7.376 269 HA GLU 36 HA GLU 36 3.668 3.002 5.937 270 HB2 GLU 36 HB2 GLU 36 4.921 3.463 8.063 271 HB3 GLU 36 HB1 GLU 36 6.410 3.082 7.214 272 HG2 GLU 36 HG2 GLU 36 6.054 4.950 5.708 273 HG3 GLU 36 HG1 GLU 36 4.521 5.312 6.503 274 H PHE 37 HN PHE 37 3.925 3.282 3.826 275 HA PHE 37 HA PHE 37 6.152 1.909 2.460 276 HB2 PHE 37 HB2 PHE 37 3.498 2.933 1.421 277 HB3 PHE 37 HB1 PHE 37 4.742 2.200 0.410 278 HD1 PHE 37 HD1 PHE 37 2.176 1.608 2.942 279 HD2 PHE 37 HD2 PHE 37 5.177 -0.175 0.512 280 HE1 PHE 37 HE1 PHE 37 1.247 -0.614 3.435 281 HE2 PHE 37 HE2 PHE 37 4.252 -2.402 0.997 282 HZ PHE 37 HZ PHE 37 2.285 -2.623 2.461 283 H ALA 38 HN ALA 38 7.595 2.999 1.255 284 HA ALA 38 HA ALA 38 7.834 5.831 1.672 285 HB1 ALA 38 HB1 ALA 38 9.918 5.618 0.398 286 HB2 ALA 38 HB2 ALA 38 9.496 3.954 -0.011 287 HB3 ALA 38 HB3 ALA 38 9.805 4.400 1.667 288 H ALA 39 HN ALA 39 7.484 7.482 0.258 289 HA ALA 39 HA ALA 39 5.665 6.963 -1.886 290 HB1 ALA 39 HB1 ALA 39 5.521 8.967 -0.464 291 HB2 ALA 39 HB2 ALA 39 5.612 9.361 -2.182 292 HB3 ALA 39 HB3 ALA 39 7.037 9.545 -1.156 293 HA PRO 40 HA PRO 40 8.572 6.651 -5.237 294 HB2 PRO 40 HB2 PRO 40 6.844 7.235 -7.261 295 HB3 PRO 40 HB1 PRO 40 6.880 5.665 -6.451 296 HG2 PRO 40 HG2 PRO 40 5.034 7.981 -6.013 297 HG3 PRO 40 HG1 PRO 40 4.659 6.249 -6.098 298 HD2 PRO 40 HD2 PRO 40 4.868 7.570 -3.749 299 HD3 PRO 40 HD1 PRO 40 5.336 5.866 -3.929 300 HA PRO 41 HA PRO 41 10.028 10.743 -6.091 301 HB2 PRO 41 HB2 PRO 41 10.394 9.903 -8.915 302 HB3 PRO 41 HB1 PRO 41 11.575 10.542 -7.768 303 HG2 PRO 41 HG2 PRO 41 11.578 7.961 -8.415 304 HG3 PRO 41 HG1 PRO 41 11.899 8.480 -6.749 305 HD2 PRO 41 HD2 PRO 41 9.396 7.338 -7.935 306 HD3 PRO 41 HD1 PRO 41 10.147 7.013 -6.358 307 H ALA 42 HN ALA 42 7.431 9.402 -7.939 308 HA ALA 42 HA ALA 42 6.820 11.851 -9.344 309 HB1 ALA 42 HB1 ALA 42 4.899 10.654 -10.214 310 HB2 ALA 42 HB2 ALA 42 5.186 9.335 -9.080 311 HB3 ALA 42 HB3 ALA 42 6.356 9.669 -10.355 312 H GLY 43 HN GLY 43 6.166 10.611 -6.236 313 HA2 GLY 43 HA2 GLY 43 5.174 11.943 -4.555 314 HA3 GLY 43 HA1 GLY 43 4.270 12.793 -5.799 315 H LEU 44 HN LEU 44 2.762 12.164 -3.823 316 HA LEU 44 HA LEU 44 1.567 9.531 -4.295 317 HB2 LEU 44 HB2 LEU 44 0.943 11.557 -2.151 318 HB3 LEU 44 HB1 LEU 44 0.175 10.003 -2.308 319 HG LEU 44 HG LEU 44 1.689 9.664 -0.600 320 HD11 LEU 44 HD11 LEU 44 3.445 8.206 -1.475 321 HD12 LEU 44 HD12 LEU 44 3.145 8.831 -3.096 322 HD13 LEU 44 HD13 LEU 44 1.890 7.919 -2.258 323 HD21 LEU 44 HD21 LEU 44 3.973 10.461 -0.525 324 HD22 LEU 44 HD22 LEU 44 2.870 11.808 -0.823 325 HD23 LEU 44 HD23 LEU 44 3.815 11.135 -2.151 326 HA PRO 45 HA PRO 45 -1.911 11.118 -6.646 327 HB2 PRO 45 HB2 PRO 45 -3.206 8.812 -5.286 328 HB3 PRO 45 HB1 PRO 45 -3.171 9.228 -6.999 329 HG2 PRO 45 HG2 PRO 45 -1.677 7.243 -6.070 330 HG3 PRO 45 HG1 PRO 45 -1.031 8.355 -7.293 331 HD2 PRO 45 HD2 PRO 45 -0.500 8.274 -4.343 332 HD3 PRO 45 HD1 PRO 45 0.609 8.598 -5.686 333 H GLN 46 HN GLN 46 -4.328 11.258 -6.161 334 HA GLN 46 HA GLN 46 -4.696 12.289 -3.437 335 HB2 GLN 46 HB2 GLN 46 -6.191 13.152 -5.909 336 HB3 GLN 46 HB1 GLN 46 -6.294 13.862 -4.309 337 HG2 GLN 46 HG2 GLN 46 -3.822 13.858 -6.011 338 HG3 GLN 46 HG1 GLN 46 -4.969 15.187 -5.931 339 HE21 GLN 46 HE21 GLN 46 -3.891 13.233 -3.192 340 HE22 GLN 46 HE22 GLN 46 -3.050 14.508 -2.387 341 H GLY 47 HN GLY 47 -5.813 10.974 -2.312 342 HA2 GLY 47 HA2 GLY 47 -8.258 10.204 -2.144 343 HA3 GLY 47 HA1 GLY 47 -7.846 9.258 -3.568 344 H LEU 48 HN LEU 48 -5.540 9.818 -1.041 345 HA LEU 48 HA LEU 48 -5.877 7.087 -0.070 346 HB2 LEU 48 HB2 LEU 48 -3.294 7.042 -0.121 347 HB3 LEU 48 HB1 LEU 48 -4.194 6.733 -1.583 348 HG LEU 48 HG LEU 48 -3.755 9.040 -2.344 349 HD11 LEU 48 HD11 LEU 48 -2.100 10.423 -1.219 350 HD12 LEU 48 HD12 LEU 48 -2.003 9.255 0.098 351 HD13 LEU 48 HD13 LEU 48 -3.499 10.148 -0.180 352 HD21 LEU 48 HD21 LEU 48 -1.302 7.482 -1.570 353 HD22 LEU 48 HD22 LEU 48 -1.385 8.725 -2.819 354 HD23 LEU 48 HD23 LEU 48 -2.289 7.223 -3.007 355 H LYS 49 HN LYS 49 -6.827 9.124 1.431 356 HA LYS 49 HA LYS 49 -4.696 9.946 3.280 357 HB2 LYS 49 HB2 LYS 49 -6.132 11.614 4.064 358 HB3 LYS 49 HB1 LYS 49 -6.537 11.526 2.355 359 HG2 LYS 49 HG2 LYS 49 -8.446 10.053 2.931 360 HG3 LYS 49 HG1 LYS 49 -8.071 10.295 4.636 361 HD2 LYS 49 HD2 LYS 49 -9.811 11.807 4.084 362 HD3 LYS 49 HD1 LYS 49 -8.330 12.759 4.232 363 HE2 LYS 49 HE2 LYS 49 -9.636 13.425 2.268 364 HE3 LYS 49 HE1 LYS 49 -8.072 12.755 1.811 365 HZ1 LYS 49 HZ1 LYS 49 -9.813 11.892 0.396 366 HZ2 LYS 49 HZ2 LYS 49 -10.669 11.316 1.742 367 HZ3 LYS 49 HZ3 LYS 49 -9.167 10.635 1.338 368 H ALA 50 HN ALA 50 -5.267 9.864 5.654 369 HA ALA 50 HA ALA 50 -5.638 7.330 6.631 370 HB1 ALA 50 HB1 ALA 50 -6.477 9.885 7.995 371 HB2 ALA 50 HB2 ALA 50 -4.832 9.243 7.950 372 HB3 ALA 50 HB3 ALA 50 -6.106 8.350 8.784 373 H GLY 51 HN GLY 51 -7.277 5.981 6.301 374 HA2 GLY 51 HA2 GLY 51 -9.510 5.374 6.999 375 HA3 GLY 51 HA1 GLY 51 -10.014 7.022 6.662 376 H ASP 52 HN ASP 52 -8.164 6.625 4.127 377 HA ASP 52 HA ASP 52 -10.369 5.819 2.427 378 HB2 ASP 52 HB2 ASP 52 -7.581 6.807 1.817 379 HB3 ASP 52 HB1 ASP 52 -8.692 6.278 0.566 380 H ARG 53 HN ARG 53 -10.516 3.961 1.249 381 HA ARG 53 HA ARG 53 -8.481 1.929 1.789 382 HB2 ARG 53 HB2 ARG 53 -11.301 1.895 1.469 383 HB3 ARG 53 HB1 ARG 53 -10.591 0.888 0.212 384 HG2 ARG 53 HG2 ARG 53 -9.289 -0.264 2.032 385 HG3 ARG 53 HG1 ARG 53 -10.283 0.619 3.194 386 HD2 ARG 53 HD2 ARG 53 -12.296 -0.366 2.201 387 HD3 ARG 53 HD1 ARG 53 -11.291 -1.264 1.067 388 HE ARG 53 HE ARG 53 -11.100 -1.668 3.988 389 HH11 ARG 53 HH11 ARG 53 -11.299 -2.923 0.716 390 HH12 ARG 53 HH12 ARG 53 -11.377 -4.586 1.221 391 HH21 ARG 53 HH21 ARG 53 -11.161 -3.844 4.651 392 HH22 ARG 53 HH22 ARG 53 -11.283 -5.115 3.467 393 H VAL 54 HN VAL 54 -6.991 1.456 0.327 394 HA VAL 54 HA VAL 54 -7.481 2.247 -2.463 395 HB VAL 54 HB VAL 54 -5.018 2.842 -2.580 396 HG11 VAL 54 HG11 VAL 54 -5.327 5.055 -1.593 397 HG12 VAL 54 HG12 VAL 54 -6.745 4.475 -0.718 398 HG13 VAL 54 HG13 VAL 54 -6.765 4.551 -2.480 399 HG21 VAL 54 HG21 VAL 54 -5.281 2.810 0.427 400 HG22 VAL 54 HG22 VAL 54 -3.872 3.327 -0.504 401 HG23 VAL 54 HG23 VAL 54 -4.374 1.636 -0.527 402 H ALA 55 HN ALA 55 -6.469 1.021 -4.060 403 HA ALA 55 HA ALA 55 -5.343 -1.556 -3.170 404 HB1 ALA 55 HB1 ALA 55 -7.393 -1.723 -4.539 405 HB2 ALA 55 HB2 ALA 55 -5.997 -2.447 -5.338 406 HB3 ALA 55 HB3 ALA 55 -6.575 -0.857 -5.842 407 H PHE 56 HN PHE 56 -3.203 -1.902 -3.582 408 HA PHE 56 HA PHE 56 -1.866 -0.061 -5.422 409 HB2 PHE 56 HB2 PHE 56 -0.188 0.463 -3.595 410 HB3 PHE 56 HB1 PHE 56 -1.775 1.199 -3.430 411 HD1 PHE 56 HD1 PHE 56 -3.386 0.304 -1.790 412 HD2 PHE 56 HD2 PHE 56 0.649 -1.040 -1.956 413 HE1 PHE 56 HE1 PHE 56 -3.612 -0.619 0.470 414 HE2 PHE 56 HE2 PHE 56 0.433 -1.970 0.314 415 HZ PHE 56 HZ PHE 56 -1.699 -1.760 1.532 416 H SER 57 HN SER 57 0.509 -0.459 -5.500 417 HA SER 57 HA SER 57 1.250 -3.232 -4.893 418 HB2 SER 57 HB2 SER 57 2.653 -3.129 -7.023 419 HB3 SER 57 HB1 SER 57 0.913 -3.274 -7.254 420 HG SER 57 HG SER 57 1.746 -1.675 -8.613 421 H PHE 58 HN PHE 58 3.370 -3.517 -4.236 422 HA PHE 58 HA PHE 58 4.984 -1.082 -3.954 423 HB2 PHE 58 HB2 PHE 58 5.646 -1.711 -1.711 424 HB3 PHE 58 HB1 PHE 58 3.894 -1.574 -1.783 425 HD1 PHE 58 HD1 PHE 58 2.525 -3.681 -1.916 426 HD2 PHE 58 HD2 PHE 58 6.690 -3.700 -1.044 427 HE1 PHE 58 HE1 PHE 58 2.316 -5.948 -0.988 428 HE2 PHE 58 HE2 PHE 58 6.488 -5.966 -0.114 429 HZ PHE 58 HZ PHE 58 4.300 -7.093 -0.084 430 H ARG 59 HN ARG 59 7.209 -1.403 -3.959 431 HA ARG 59 HA ARG 59 8.010 -4.026 -5.025 432 HB2 ARG 59 HB2 ARG 59 8.055 -2.034 -6.593 433 HB3 ARG 59 HB1 ARG 59 9.342 -1.378 -5.594 434 HG2 ARG 59 HG2 ARG 59 10.868 -2.945 -6.283 435 HG3 ARG 59 HG1 ARG 59 9.627 -4.127 -6.699 436 HD2 ARG 59 HD2 ARG 59 10.672 -3.230 -8.704 437 HD3 ARG 59 HD1 ARG 59 8.972 -2.775 -8.624 438 HE ARG 59 HE ARG 59 11.133 -0.916 -7.842 439 HH11 ARG 59 HH11 ARG 59 8.174 -1.643 -9.595 440 HH12 ARG 59 HH12 ARG 59 8.035 -0.042 -10.269 441 HH21 ARG 59 HH21 ARG 59 10.911 1.202 -8.692 442 HH22 ARG 59 HH22 ARG 59 9.577 1.566 -9.742 443 H LEU 60 HN LEU 60 9.273 -5.139 -3.744 444 HA LEU 60 HA LEU 60 10.573 -3.853 -1.475 445 HB2 LEU 60 HB2 LEU 60 9.908 -6.664 -2.235 446 HB3 LEU 60 HB1 LEU 60 11.221 -6.392 -1.110 447 HG LEU 60 HG LEU 60 8.375 -5.468 -0.696 448 HD11 LEU 60 HD11 LEU 60 9.913 -7.734 0.564 449 HD12 LEU 60 HD12 LEU 60 8.628 -7.917 -0.630 450 HD13 LEU 60 HD13 LEU 60 8.265 -7.245 0.960 451 HD21 LEU 60 HD21 LEU 60 9.168 -5.063 1.614 452 HD22 LEU 60 HD22 LEU 60 9.963 -4.027 0.427 453 HD23 LEU 60 HD23 LEU 60 10.810 -5.427 1.086 454 H ASP 61 HN ASP 61 12.746 -3.709 -1.201 455 HA ASP 61 HA ASP 61 14.405 -4.715 -3.410 456 HB2 ASP 61 HB2 ASP 61 16.057 -3.127 -2.861 457 HB3 ASP 61 HB1 ASP 61 14.544 -2.261 -2.750 458 HA PRO 62 HA PRO 62 16.421 -7.800 -1.036 459 HB2 PRO 62 HB2 PRO 62 19.099 -6.639 -1.376 460 HB3 PRO 62 HB1 PRO 62 18.451 -8.161 -1.992 461 HG2 PRO 62 HG2 PRO 62 18.956 -6.061 -3.601 462 HG3 PRO 62 HG1 PRO 62 17.617 -7.184 -3.900 463 HD2 PRO 62 HD2 PRO 62 17.561 -4.431 -2.707 464 HD3 PRO 62 HD1 PRO 62 16.430 -5.206 -3.843 465 H HIS 63 HN HIS 63 16.760 -4.553 -0.140 466 HA HIS 63 HA HIS 63 18.324 -5.037 2.257 467 HB2 HIS 63 HB2 HIS 63 18.368 -2.910 0.774 468 HB3 HIS 63 HB1 HIS 63 16.864 -2.490 1.583 469 HD1 HIS 63 HD1 HIS 63 17.003 -1.844 4.099 470 HD2 HIS 63 HD2 HIS 63 20.658 -2.653 2.284 471 HE1 HIS 63 HE1 HIS 63 18.750 -0.997 5.695 472 HE2 HIS 63 HE2 HIS 63 20.951 -1.685 4.677 473 H GLY 64 HN GLY 64 15.043 -4.712 1.214 474 HA2 GLY 64 HA2 GLY 64 13.285 -5.726 2.491 475 HA3 GLY 64 HA1 GLY 64 14.170 -5.333 3.958 476 H MET 65 HN MET 65 13.745 -3.004 1.366 477 HA MET 65 HA MET 65 11.978 -1.484 3.167 478 HB2 MET 65 HB2 MET 65 12.619 0.511 2.051 479 HB3 MET 65 HB1 MET 65 14.103 -0.391 2.310 480 HG2 MET 65 HG2 MET 65 14.152 -1.076 0.011 481 HG3 MET 65 HG1 MET 65 12.571 -0.353 -0.279 482 HE1 MET 65 HE1 MET 65 12.119 2.236 -0.441 483 HE2 MET 65 HE2 MET 65 13.306 3.457 0.018 484 HE3 MET 65 HE3 MET 65 12.666 2.350 1.230 485 H ALA 66 HN ALA 66 9.981 -0.790 2.485 486 HA ALA 66 HA ALA 66 8.994 -2.171 0.091 487 HB1 ALA 66 HB1 ALA 66 7.466 -1.276 2.544 488 HB2 ALA 66 HB2 ALA 66 7.955 -2.928 2.171 489 HB3 ALA 66 HB3 ALA 66 6.778 -2.105 1.147 490 H THR 67 HN THR 67 9.049 -0.774 -1.518 491 HA THR 67 HA THR 67 8.446 2.037 -1.009 492 HB THR 67 HB THR 67 9.348 1.205 -3.701 493 HG1 THR 67 HG1 THR 67 10.726 -0.124 -2.567 494 HG21 THR 67 HG21 THR 67 9.066 3.550 -3.060 495 HG22 THR 67 HG22 THR 67 10.758 3.199 -3.416 496 HG23 THR 67 HG23 THR 67 10.216 3.333 -1.741 497 H LEU 68 HN LEU 68 6.700 3.019 -1.841 498 HA LEU 68 HA LEU 68 4.612 1.356 -2.890 499 HB2 LEU 68 HB2 LEU 68 4.293 3.283 -1.301 500 HB3 LEU 68 HB1 LEU 68 4.669 4.356 -2.632 501 HG LEU 68 HG LEU 68 2.700 3.579 -3.853 502 HD11 LEU 68 HD11 LEU 68 2.176 1.899 -1.402 503 HD12 LEU 68 HD12 LEU 68 2.614 1.298 -2.999 504 HD13 LEU 68 HD13 LEU 68 1.072 2.117 -2.760 505 HD21 LEU 68 HD21 LEU 68 2.476 5.503 -2.398 506 HD22 LEU 68 HD22 LEU 68 2.161 4.457 -1.016 507 HD23 LEU 68 HD23 LEU 68 1.001 4.539 -2.342 508 H VAL 69 HN VAL 69 4.299 0.900 -4.952 509 HA VAL 69 HA VAL 69 5.815 2.331 -6.983 510 HB VAL 69 HB VAL 69 4.001 -0.070 -7.284 511 HG11 VAL 69 HG11 VAL 69 5.220 -0.422 -9.388 512 HG12 VAL 69 HG12 VAL 69 6.096 1.085 -9.119 513 HG13 VAL 69 HG13 VAL 69 4.351 1.112 -9.372 514 HG21 VAL 69 HG21 VAL 69 6.998 0.031 -6.960 515 HG22 VAL 69 HG22 VAL 69 6.040 -1.415 -7.270 516 HG23 VAL 69 HG23 VAL 69 5.849 -0.538 -5.748 517 H THR 70 HN THR 70 2.479 1.179 -6.676 518 HA THR 70 HA THR 70 1.467 3.717 -7.676 519 HB THR 70 HB THR 70 -0.096 2.460 -9.250 520 HG1 THR 70 HG1 THR 70 1.259 0.369 -8.256 521 HG21 THR 70 HG21 THR 70 1.746 3.828 -10.099 522 HG22 THR 70 HG22 THR 70 1.519 2.391 -11.092 523 HG23 THR 70 HG23 THR 70 2.847 2.457 -9.935 524 H VAL 71 HN VAL 71 -0.610 4.156 -6.982 525 HA VAL 71 HA VAL 71 -2.043 2.079 -5.511 526 HB VAL 71 HB VAL 71 -0.717 3.237 -3.794 527 HG11 VAL 71 HG11 VAL 71 -0.493 5.398 -4.967 528 HG12 VAL 71 HG12 VAL 71 -1.014 5.566 -3.291 529 HG13 VAL 71 HG13 VAL 71 -2.186 5.733 -4.596 530 HG21 VAL 71 HG21 VAL 71 -2.837 2.415 -3.076 531 HG22 VAL 71 HG22 VAL 71 -3.667 3.825 -3.734 532 HG23 VAL 71 HG23 VAL 71 -2.598 4.003 -2.339 533 H ALA 72 HN ALA 72 -4.135 2.117 -5.982 534 HA ALA 72 HA ALA 72 -5.262 4.591 -7.120 535 HB1 ALA 72 HB1 ALA 72 -5.942 1.738 -7.846 536 HB2 ALA 72 HB2 ALA 72 -5.027 2.875 -8.837 537 HB3 ALA 72 HB3 ALA 72 -6.728 3.179 -8.491 538 HA PRO 73 HA PRO 73 -7.983 4.521 -3.577 539 HB2 PRO 73 HB2 PRO 73 -9.715 5.982 -5.519 540 HB3 PRO 73 HB1 PRO 73 -9.279 6.410 -3.861 541 HG2 PRO 73 HG2 PRO 73 -8.145 7.659 -5.915 542 HG3 PRO 73 HG1 PRO 73 -7.195 7.228 -4.479 543 HD2 PRO 73 HD2 PRO 73 -7.257 5.938 -7.173 544 HD3 PRO 73 HD1 PRO 73 -5.891 6.171 -6.062 545 H GLN 74 HN GLN 74 -9.181 2.830 -3.063 546 HA GLN 74 HA GLN 74 -10.736 1.490 -5.172 547 HB2 GLN 74 HB2 GLN 74 -10.363 -0.530 -4.158 548 HB3 GLN 74 HB1 GLN 74 -8.904 0.309 -3.654 549 HG2 GLN 74 HG2 GLN 74 -9.960 0.839 -1.515 550 HG3 GLN 74 HG1 GLN 74 -11.409 -0.009 -2.027 551 HE21 GLN 74 HE21 GLN 74 -8.190 -1.123 -2.762 552 HE22 GLN 74 HE22 GLN 74 -8.265 -2.534 -1.778 553 H VAL 75 HN VAL 75 -12.599 0.216 -4.034 554 HA VAL 75 HA VAL 75 -14.001 2.002 -2.195 555 HB VAL 75 HB VAL 75 -16.127 1.647 -3.526 556 HG11 VAL 75 HG11 VAL 75 -15.597 3.467 -5.102 557 HG12 VAL 75 HG12 VAL 75 -13.877 3.213 -4.791 558 HG13 VAL 75 HG13 VAL 75 -14.933 3.769 -3.493 559 HG21 VAL 75 HG21 VAL 75 -15.866 1.175 -5.931 560 HG22 VAL 75 HG22 VAL 75 -15.392 -0.203 -4.938 561 HG23 VAL 75 HG23 VAL 75 -14.157 0.823 -5.671 562 H GLN 76 HN GLN 76 -13.192 0.302 -0.818 563 HA GLN 76 HA GLN 76 -13.414 -1.552 0.455 564 HB2 GLN 76 HB2 GLN 76 -15.985 -1.858 -1.086 565 HB3 GLN 76 HB1 GLN 76 -15.487 -2.974 0.180 566 HG2 GLN 76 HG2 GLN 76 -15.913 -0.017 0.543 567 HG3 GLN 76 HG1 GLN 76 -17.083 -1.269 0.954 568 HE21 GLN 76 HE21 GLN 76 -15.079 -3.130 1.915 569 HE22 GLN 76 HE22 GLN 76 -14.544 -2.522 3.446 570 H THR 77 HN THR 77 -13.998 -4.162 -0.114 571 HA THR 77 HA THR 77 -11.692 -4.804 -1.632 572 HB THR 77 HB THR 77 -13.872 -6.700 -0.775 573 HG1 THR 77 HG1 THR 77 -13.087 -6.565 1.209 574 HG21 THR 77 HG21 THR 77 -12.059 -8.354 -0.735 575 HG22 THR 77 HG22 THR 77 -10.926 -7.127 -1.298 576 HG23 THR 77 HG23 THR 77 -12.245 -7.654 -2.343 577 H ALA 78 HN ALA 78 -11.799 -4.201 -3.696 578 HA ALA 78 HA ALA 78 -13.754 -5.557 -5.424 579 HB1 ALA 78 HB1 ALA 78 -12.763 -2.710 -5.713 580 HB2 ALA 78 HB2 ALA 78 -14.397 -3.212 -5.274 581 HB3 ALA 78 HB3 ALA 78 -13.771 -3.565 -6.884 582 H GLY 79 HN GLY 79 -12.355 -7.159 -6.050 583 HA2 GLY 79 HA2 GLY 79 -9.663 -6.400 -6.913 584 HA3 GLY 79 HA1 GLY 79 -10.234 -8.032 -6.604 585 H ALA 80 HN ALA 80 -8.771 -7.018 -8.869 586 HA ALA 80 HA ALA 80 -8.646 -7.411 -11.091 587 HB1 ALA 80 HB1 ALA 80 -10.142 -9.053 -12.089 588 HB2 ALA 80 HB2 ALA 80 -11.213 -8.945 -10.691 589 HB3 ALA 80 HB3 ALA 80 -9.584 -9.594 -10.504 590 H LYS 81 HN LYS 81 -10.560 -7.526 -13.100 591 HA LYS 81 HA LYS 81 -11.648 -4.812 -13.020 592 HB2 LYS 81 HB2 LYS 81 -10.821 -6.684 -15.157 593 HB3 LYS 81 HB1 LYS 81 -12.219 -5.682 -15.518 594 HG2 LYS 81 HG2 LYS 81 -10.928 -3.677 -15.071 595 HG3 LYS 81 HG1 LYS 81 -9.525 -4.660 -14.644 596 HD2 LYS 81 HD2 LYS 81 -9.451 -3.744 -16.959 597 HD3 LYS 81 HD1 LYS 81 -9.354 -5.503 -16.881 598 HE2 LYS 81 HE2 LYS 81 -10.836 -4.839 -18.679 599 HE3 LYS 81 HE1 LYS 81 -11.760 -5.634 -17.407 600 HZ1 LYS 81 HZ1 LYS 81 -12.806 -3.599 -18.329 601 HZ2 LYS 81 HZ2 LYS 81 -11.530 -2.687 -17.687 602 HZ3 LYS 81 HZ3 LYS 81 -12.569 -3.541 -16.649 603 HA PRO 82 HA PRO 82 -15.658 -6.740 -12.122 604 HB2 PRO 82 HB2 PRO 82 -16.423 -3.885 -12.066 605 HB3 PRO 82 HB1 PRO 82 -16.675 -5.138 -10.848 606 HG2 PRO 82 HG2 PRO 82 -14.868 -3.209 -10.483 607 HG3 PRO 82 HG1 PRO 82 -14.566 -4.871 -9.941 608 HD2 PRO 82 HD2 PRO 82 -13.531 -3.457 -12.370 609 HD3 PRO 82 HD1 PRO 82 -12.686 -4.557 -11.261 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 14.163 -3.928 -6.343 2 H2 GLY 1 HT2 GLY 1 14.529 -5.562 -6.591 3 H3 GLY 1 HT3 GLY 1 15.239 -4.723 -5.300 4 HA2 GLY 1 HA1 GLY 1 13.512 -6.092 -4.429 5 HA3 GLY 1 HA2 GLY 1 13.027 -4.406 -4.313 6 HA PRO 2 HA PRO 2 10.456 -7.060 -7.523 7 HB2 PRO 2 HB2 PRO 2 9.139 -8.955 -6.072 8 HB3 PRO 2 HB1 PRO 2 10.664 -9.256 -6.911 9 HG2 PRO 2 HG2 PRO 2 10.172 -8.654 -4.023 10 HG3 PRO 2 HG1 PRO 2 11.276 -9.838 -4.747 11 HD2 PRO 2 HD2 PRO 2 12.127 -7.451 -3.802 12 HD3 PRO 2 HD1 PRO 2 12.886 -8.246 -5.198 13 H GLU 3 HN GLU 3 8.486 -6.319 -7.972 14 HA GLU 3 HA GLU 3 7.087 -4.803 -5.904 15 HB2 GLU 3 HB2 GLU 3 7.583 -3.737 -8.080 16 HB3 GLU 3 HB1 GLU 3 6.604 -4.953 -8.890 17 HG2 GLU 3 HG2 GLU 3 4.649 -4.155 -7.556 18 HG3 GLU 3 HG1 GLU 3 5.665 -2.843 -6.960 19 H HIS 4 HN HIS 4 5.180 -5.382 -5.046 20 HA HIS 4 HA HIS 4 3.718 -7.645 -6.240 21 HB2 HIS 4 HB2 HIS 4 4.065 -7.161 -3.272 22 HB3 HIS 4 HB1 HIS 4 3.288 -8.543 -4.034 23 HD1 HIS 4 HD1 HIS 4 5.003 -10.108 -5.498 24 HD2 HIS 4 HD2 HIS 4 6.687 -7.505 -2.718 25 HE1 HIS 4 HE1 HIS 4 7.338 -10.960 -5.086 26 HE2 HIS 4 HE2 HIS 4 8.267 -9.475 -3.270 27 H ARG 5 HN ARG 5 1.409 -7.694 -5.498 28 HA ARG 5 HA ARG 5 0.355 -4.965 -5.379 29 HB2 ARG 5 HB2 ARG 5 -0.977 -7.615 -5.958 30 HB3 ARG 5 HB1 ARG 5 -1.832 -6.080 -5.880 31 HG2 ARG 5 HG2 ARG 5 0.402 -6.716 -7.804 32 HG3 ARG 5 HG1 ARG 5 -1.317 -6.810 -8.187 33 HD2 ARG 5 HD2 ARG 5 0.072 -4.311 -7.236 34 HD3 ARG 5 HD1 ARG 5 -0.200 -4.702 -8.933 35 HE ARG 5 HE ARG 5 -2.612 -4.769 -7.383 36 HH11 ARG 5 HH11 ARG 5 -0.386 -2.623 -9.042 37 HH12 ARG 5 HH12 ARG 5 -1.599 -1.429 -9.389 38 HH21 ARG 5 HH21 ARG 5 -4.206 -3.198 -7.869 39 HH22 ARG 5 HH22 ARG 5 -3.744 -1.744 -8.704 40 H ALA 6 HN ALA 6 -1.092 -4.267 -3.780 41 HA ALA 6 HA ALA 6 -1.933 -6.141 -1.738 42 HB1 ALA 6 HB1 ALA 6 0.289 -5.499 -0.952 43 HB2 ALA 6 HB2 ALA 6 -0.979 -4.911 0.123 44 HB3 ALA 6 HB3 ALA 6 -0.187 -3.802 -0.998 45 H VAL 7 HN VAL 7 -3.698 -5.474 -0.614 46 HA VAL 7 HA VAL 7 -4.703 -2.760 -1.166 47 HB VAL 7 HB VAL 7 -6.984 -3.632 -0.837 48 HG11 VAL 7 HG11 VAL 7 -6.080 -3.438 -3.088 49 HG12 VAL 7 HG12 VAL 7 -7.182 -4.810 -2.965 50 HG13 VAL 7 HG13 VAL 7 -5.439 -5.078 -2.983 51 HG21 VAL 7 HG21 VAL 7 -5.627 -6.324 -0.718 52 HG22 VAL 7 HG22 VAL 7 -7.365 -6.077 -0.874 53 HG23 VAL 7 HG23 VAL 7 -6.527 -5.541 0.580 54 H GLY 8 HN GLY 8 -5.952 -1.767 0.590 55 HA2 GLY 8 HA2 GLY 8 -6.317 -2.849 3.120 56 HA3 GLY 8 HA1 GLY 8 -4.713 -2.134 3.123 57 H ARG 9 HN ARG 9 -5.784 -0.845 4.863 58 HA ARG 9 HA ARG 9 -7.318 1.418 3.753 59 HB2 ARG 9 HB2 ARG 9 -8.404 0.017 5.591 60 HB3 ARG 9 HB1 ARG 9 -7.154 0.627 6.666 61 HG2 ARG 9 HG2 ARG 9 -7.932 2.955 6.019 62 HG3 ARG 9 HG1 ARG 9 -9.330 2.173 5.283 63 HD2 ARG 9 HD2 ARG 9 -10.176 2.609 7.359 64 HD3 ARG 9 HD1 ARG 9 -9.492 1.010 7.648 65 HE ARG 9 HE ARG 9 -7.531 2.929 8.211 66 HH11 ARG 9 HH11 ARG 9 -10.588 1.777 9.475 67 HH12 ARG 9 HH12 ARG 9 -10.259 2.305 11.103 68 HH21 ARG 9 HH21 ARG 9 -7.102 3.647 10.358 69 HH22 ARG 9 HH22 ARG 9 -8.296 3.389 11.594 70 H ILE 10 HN ILE 10 -6.480 3.413 3.921 71 HA ILE 10 HA ILE 10 -3.740 3.698 4.616 72 HB ILE 10 HB ILE 10 -5.749 5.932 4.343 73 HG12 ILE 10 HG12 ILE 10 -5.866 4.533 2.360 74 HG13 ILE 10 HG11 ILE 10 -5.010 6.021 1.971 75 HG21 ILE 10 HG21 ILE 10 -2.757 5.853 3.968 76 HG22 ILE 10 HG22 ILE 10 -3.610 6.571 5.332 77 HG23 ILE 10 HG23 ILE 10 -3.789 7.261 3.718 78 HD11 ILE 10 HD11 ILE 10 -3.766 3.338 2.513 79 HD12 ILE 10 HD12 ILE 10 -2.881 4.830 2.182 80 HD13 ILE 10 HD13 ILE 10 -3.929 4.132 0.946 81 H GLN 11 HN GLN 11 -2.789 4.250 6.483 82 HA GLN 11 HA GLN 11 -4.534 4.615 8.801 83 HB2 GLN 11 HB2 GLN 11 -2.490 2.927 8.542 84 HB3 GLN 11 HB1 GLN 11 -1.574 4.334 9.060 85 HG2 GLN 11 HG2 GLN 11 -2.176 2.859 10.918 86 HG3 GLN 11 HG1 GLN 11 -2.858 4.477 11.091 87 HE21 GLN 11 HE21 GLN 11 -3.555 1.142 10.324 88 HE22 GLN 11 HE22 GLN 11 -5.257 1.229 10.614 89 H SER 12 HN SER 12 -1.610 5.988 7.325 90 HA SER 12 HA SER 12 -2.578 8.663 7.743 91 HB2 SER 12 HB2 SER 12 -0.036 7.783 9.139 92 HB3 SER 12 HB1 SER 12 -0.591 9.450 8.987 93 HG SER 12 HG SER 12 -2.541 7.877 10.000 94 H ILE 13 HN ILE 13 -1.569 10.137 6.373 95 HA ILE 13 HA ILE 13 0.354 8.979 4.470 96 HB ILE 13 HB ILE 13 -1.544 11.315 4.268 97 HG12 ILE 13 HG12 ILE 13 -1.127 8.814 2.621 98 HG13 ILE 13 HG11 ILE 13 -2.476 9.157 3.700 99 HG21 ILE 13 HG21 ILE 13 -0.588 11.834 2.070 100 HG22 ILE 13 HG22 ILE 13 0.701 10.666 2.364 101 HG23 ILE 13 HG23 ILE 13 0.566 12.103 3.378 102 HD11 ILE 13 HD11 ILE 13 -3.174 10.985 2.250 103 HD12 ILE 13 HD12 ILE 13 -3.102 9.457 1.374 104 HD13 ILE 13 HD13 ILE 13 -1.820 10.652 1.173 105 H GLY 14 HN GLY 14 2.369 9.730 4.354 106 HA2 GLY 14 HA2 GLY 14 3.060 12.121 5.932 107 HA3 GLY 14 HA1 GLY 14 4.166 10.792 5.601 108 H GLU 15 HN GLU 15 5.391 12.876 4.965 109 HA GLU 15 HA GLU 15 4.635 13.982 2.403 110 HB2 GLU 15 HB2 GLU 15 7.105 14.452 4.081 111 HB3 GLU 15 HB1 GLU 15 6.660 15.365 2.648 112 HG2 GLU 15 HG2 GLU 15 6.020 16.713 4.430 113 HG3 GLU 15 HG1 GLU 15 4.525 15.959 3.889 114 H ARG 16 HN ARG 16 6.492 11.388 3.528 115 HA ARG 16 HA ARG 16 7.460 10.854 0.840 116 HB2 ARG 16 HB2 ARG 16 9.683 10.133 2.053 117 HB3 ARG 16 HB1 ARG 16 9.437 11.762 1.443 118 HG2 ARG 16 HG2 ARG 16 8.822 12.528 3.660 119 HG3 ARG 16 HG1 ARG 16 8.987 10.881 4.285 120 HD2 ARG 16 HD2 ARG 16 10.969 12.256 4.744 121 HD3 ARG 16 HD1 ARG 16 11.323 10.863 3.723 122 HE ARG 16 HE ARG 16 10.762 13.129 2.124 123 HH11 ARG 16 HH11 ARG 16 13.254 11.817 4.211 124 HH12 ARG 16 HH12 ARG 16 14.556 12.579 3.347 125 HH21 ARG 16 HH21 ARG 16 12.482 14.104 0.967 126 HH22 ARG 16 HH22 ARG 16 14.118 13.870 1.512 127 H SER 17 HN SER 17 6.108 9.791 3.688 128 HA SER 17 HA SER 17 6.073 7.096 2.697 129 HB2 SER 17 HB2 SER 17 6.783 6.145 4.932 130 HB3 SER 17 HB1 SER 17 8.060 6.852 3.956 131 HG SER 17 HG SER 17 7.448 7.434 6.435 132 H LEU 18 HN LEU 18 4.325 5.970 3.357 133 HA LEU 18 HA LEU 18 2.487 7.400 5.175 134 HB2 LEU 18 HB2 LEU 18 1.184 5.698 3.184 135 HB3 LEU 18 HB1 LEU 18 0.762 7.300 3.736 136 HG LEU 18 HG LEU 18 2.918 6.753 1.698 137 HD11 LEU 18 HD11 LEU 18 1.289 7.477 0.033 138 HD12 LEU 18 HD12 LEU 18 0.050 7.588 1.285 139 HD13 LEU 18 HD13 LEU 18 0.745 6.021 0.868 140 HD21 LEU 18 HD21 LEU 18 1.491 9.287 2.502 141 HD22 LEU 18 HD22 LEU 18 2.681 9.138 1.209 142 HD23 LEU 18 HD23 LEU 18 3.161 8.872 2.884 143 H ILE 19 HN ILE 19 1.746 6.207 6.821 144 HA ILE 19 HA ILE 19 2.368 3.384 6.927 145 HB ILE 19 HB ILE 19 0.795 5.045 8.906 146 HG12 ILE 19 HG12 ILE 19 3.727 4.281 8.918 147 HG13 ILE 19 HG11 ILE 19 3.096 5.889 8.582 148 HG21 ILE 19 HG21 ILE 19 1.359 3.221 10.476 149 HG22 ILE 19 HG22 ILE 19 2.089 2.327 9.141 150 HG23 ILE 19 HG23 ILE 19 0.358 2.673 9.130 151 HD11 ILE 19 HD11 ILE 19 2.168 5.976 10.852 152 HD12 ILE 19 HD12 ILE 19 3.919 5.773 10.840 153 HD13 ILE 19 HD13 ILE 19 2.874 4.395 11.183 154 H ILE 20 HN ILE 20 1.045 1.831 6.242 155 HA ILE 20 HA ILE 20 -1.815 2.479 5.936 156 HB ILE 20 HB ILE 20 -0.127 0.918 3.969 157 HG12 ILE 20 HG12 ILE 20 -1.519 3.581 3.603 158 HG13 ILE 20 HG11 ILE 20 0.200 3.405 3.940 159 HG21 ILE 20 HG21 ILE 20 -2.360 0.006 4.114 160 HG22 ILE 20 HG22 ILE 20 -2.177 0.879 2.592 161 HG23 ILE 20 HG23 ILE 20 -3.063 1.613 3.933 162 HD11 ILE 20 HD11 ILE 20 -0.240 3.787 1.572 163 HD12 ILE 20 HD12 ILE 20 -1.226 2.326 1.521 164 HD13 ILE 20 HD13 ILE 20 0.502 2.213 1.849 165 H ALA 21 HN ALA 21 -3.166 1.020 6.776 166 HA ALA 21 HA ALA 21 -2.121 -1.485 7.796 167 HB1 ALA 21 HB1 ALA 21 -4.355 -1.836 8.701 168 HB2 ALA 21 HB2 ALA 21 -4.941 -0.412 7.840 169 HB3 ALA 21 HB3 ALA 21 -3.756 -0.234 9.135 170 H HIS 22 HN HIS 22 -1.562 -2.547 5.933 171 HA HIS 22 HA HIS 22 -3.537 -3.035 3.878 172 HB2 HIS 22 HB2 HIS 22 -1.728 -4.383 2.826 173 HB3 HIS 22 HB1 HIS 22 -1.227 -2.733 3.183 174 HD1 HIS 22 HD1 HIS 22 -0.875 -6.241 4.622 175 HD2 HIS 22 HD2 HIS 22 1.045 -2.546 4.681 176 HE1 HIS 22 HE1 HIS 22 1.266 -6.603 5.895 177 HE2 HIS 22 HE2 HIS 22 2.325 -4.325 6.047 178 H GLU 23 HN GLU 23 -4.256 -5.166 3.302 179 HA GLU 23 HA GLU 23 -4.830 -6.834 5.535 180 HB2 GLU 23 HB2 GLU 23 -5.157 -7.438 2.588 181 HB3 GLU 23 HB1 GLU 23 -5.899 -8.325 3.914 182 HG2 GLU 23 HG2 GLU 23 -7.012 -6.148 4.569 183 HG3 GLU 23 HG1 GLU 23 -6.462 -5.517 3.020 184 H ALA 24 HN ALA 24 -4.471 -9.417 4.200 185 HA ALA 24 HA ALA 24 -2.129 -10.110 5.535 186 HB1 ALA 24 HB1 ALA 24 -3.494 -11.707 3.386 187 HB2 ALA 24 HB2 ALA 24 -3.989 -11.655 5.076 188 HB3 ALA 24 HB3 ALA 24 -2.415 -12.323 4.639 189 H ILE 25 HN ILE 25 -2.659 -9.644 2.090 190 HA ILE 25 HA ILE 25 -1.242 -9.412 0.327 191 HB ILE 25 HB ILE 25 0.977 -9.082 2.363 192 HG12 ILE 25 HG12 ILE 25 -0.864 -7.067 1.053 193 HG13 ILE 25 HG11 ILE 25 -0.665 -7.381 2.773 194 HG21 ILE 25 HG21 ILE 25 1.791 -9.617 0.126 195 HG22 ILE 25 HG22 ILE 25 2.143 -7.931 0.514 196 HG23 ILE 25 HG23 ILE 25 0.804 -8.328 -0.566 197 HD11 ILE 25 HD11 ILE 25 1.419 -6.193 0.957 198 HD12 ILE 25 HD12 ILE 25 1.595 -6.488 2.688 199 HD13 ILE 25 HD13 ILE 25 0.419 -5.309 2.109 200 HA PRO 26 HA PRO 26 -0.195 -13.852 0.546 201 HB2 PRO 26 HB2 PRO 26 -0.730 -14.283 -2.106 202 HB3 PRO 26 HB1 PRO 26 -1.947 -14.362 -0.827 203 HG2 PRO 26 HG2 PRO 26 -1.335 -12.138 -2.729 204 HG3 PRO 26 HG1 PRO 26 -2.908 -12.727 -2.163 205 HD2 PRO 26 HD2 PRO 26 -1.767 -10.491 -1.169 206 HD3 PRO 26 HD1 PRO 26 -2.774 -11.562 -0.173 207 H SER 27 HN SER 27 0.794 -11.444 -1.847 208 HA SER 27 HA SER 27 2.873 -12.964 -2.999 209 HB2 SER 27 HB2 SER 27 2.757 -9.944 -2.914 210 HB3 SER 27 HB1 SER 27 3.487 -10.974 -4.145 211 HG SER 27 HG SER 27 1.492 -11.565 -4.861 212 H ALA 28 HN ALA 28 2.714 -11.055 -0.106 213 HA ALA 28 HA ALA 28 5.637 -11.240 0.199 214 HB1 ALA 28 HB1 ALA 28 5.440 -9.490 1.887 215 HB2 ALA 28 HB2 ALA 28 3.687 -9.473 1.672 216 HB3 ALA 28 HB3 ALA 28 4.743 -8.973 0.351 217 H GLN 29 HN GLN 29 2.899 -12.821 0.994 218 HA GLN 29 HA GLN 29 2.265 -14.351 2.526 219 HB2 GLN 29 HB2 GLN 29 5.239 -14.586 2.925 220 HB3 GLN 29 HB1 GLN 29 4.060 -15.728 3.546 221 HG2 GLN 29 HG2 GLN 29 4.760 -16.773 1.630 222 HG3 GLN 29 HG1 GLN 29 3.328 -15.917 1.063 223 HE21 GLN 29 HE21 GLN 29 4.004 -15.842 -1.054 224 HE22 GLN 29 HE22 GLN 29 5.310 -14.833 -1.579 225 H TRP 30 HN TRP 30 2.159 -11.724 3.421 226 HA TRP 30 HA TRP 30 3.027 -11.853 6.205 227 HB2 TRP 30 HB2 TRP 30 1.879 -9.613 4.543 228 HB3 TRP 30 HB1 TRP 30 2.090 -9.489 6.287 229 HD1 TRP 30 HD1 TRP 30 4.995 -11.196 6.013 230 HE1 TRP 30 HE1 TRP 30 7.053 -9.803 5.347 231 HE3 TRP 30 HE3 TRP 30 2.609 -7.148 4.012 232 HZ2 TRP 30 HZ2 TRP 30 7.587 -7.305 4.136 233 HZ3 TRP 30 HZ3 TRP 30 3.965 -5.297 3.126 234 HH2 TRP 30 HH2 TRP 30 6.402 -5.376 3.187 235 H GLY 31 HN GLY 31 1.307 -10.821 7.737 236 HA2 GLY 31 HA2 GLY 31 -1.252 -12.198 7.207 237 HA3 GLY 31 HA1 GLY 31 -0.439 -12.327 8.759 238 H ALA 32 HN ALA 32 -0.750 -9.476 6.741 239 HA ALA 32 HA ALA 32 -1.807 -7.486 6.969 240 HB1 ALA 32 HB1 ALA 32 -3.521 -8.872 9.028 241 HB2 ALA 32 HB2 ALA 32 -3.863 -8.751 7.302 242 HB3 ALA 32 HB3 ALA 32 -3.842 -7.297 8.301 243 H MET 33 HN MET 33 -0.908 -5.766 7.858 244 HA MET 33 HA MET 33 -0.755 -5.277 10.619 245 HB2 MET 33 HB2 MET 33 1.710 -5.276 10.901 246 HB3 MET 33 HB1 MET 33 1.031 -6.884 10.698 247 HG2 MET 33 HG2 MET 33 1.753 -6.934 8.394 248 HG3 MET 33 HG1 MET 33 2.366 -5.287 8.525 249 HE1 MET 33 HE1 MET 33 4.075 -7.858 7.503 250 HE2 MET 33 HE2 MET 33 5.617 -7.524 8.285 251 HE3 MET 33 HE3 MET 33 4.711 -6.212 7.540 252 H THR 34 HN THR 34 0.103 -3.211 11.119 253 HA THR 34 HA THR 34 -0.163 -1.313 9.026 254 HB THR 34 HB THR 34 0.910 0.027 11.160 255 HG1 THR 34 HG1 THR 34 0.998 -1.633 12.582 256 HG21 THR 34 HG21 THR 34 -1.137 0.624 9.975 257 HG22 THR 34 HG22 THR 34 -1.412 0.612 11.717 258 HG23 THR 34 HG23 THR 34 -1.976 -0.733 10.725 259 H MET 35 HN MET 35 1.417 -1.198 7.536 260 HA MET 35 HA MET 35 4.181 -0.978 8.523 261 HB2 MET 35 HB2 MET 35 3.068 -2.471 6.230 262 HB3 MET 35 HB1 MET 35 4.566 -1.601 5.926 263 HG2 MET 35 HG2 MET 35 4.131 -3.579 8.142 264 HG3 MET 35 HG1 MET 35 4.935 -3.926 6.613 265 HE1 MET 35 HE1 MET 35 7.256 -2.864 5.891 266 HE2 MET 35 HE2 MET 35 8.129 -1.673 6.856 267 HE3 MET 35 HE3 MET 35 6.583 -1.248 6.119 268 H GLU 36 HN GLU 36 5.582 0.405 7.338 269 HA GLU 36 HA GLU 36 4.151 2.753 6.342 270 HB2 GLU 36 HB2 GLU 36 5.691 3.134 8.193 271 HB3 GLU 36 HB1 GLU 36 7.009 2.422 7.273 272 HG2 GLU 36 HG2 GLU 36 6.959 4.226 5.698 273 HG3 GLU 36 HG1 GLU 36 5.516 4.900 6.453 274 H PHE 37 HN PHE 37 4.138 3.246 4.282 275 HA PHE 37 HA PHE 37 5.905 1.754 2.468 276 HB2 PHE 37 HB2 PHE 37 3.239 3.106 1.998 277 HB3 PHE 37 HB1 PHE 37 4.214 2.391 0.718 278 HD1 PHE 37 HD1 PHE 37 2.347 1.630 3.821 279 HD2 PHE 37 HD2 PHE 37 4.150 0.086 0.289 280 HE1 PHE 37 HE1 PHE 37 1.284 -0.549 4.237 281 HE2 PHE 37 HE2 PHE 37 3.089 -2.097 0.700 282 HZ PHE 37 HZ PHE 37 1.656 -2.416 2.677 283 H ALA 38 HN ALA 38 7.381 2.783 1.294 284 HA ALA 38 HA ALA 38 7.831 5.587 1.719 285 HB1 ALA 38 HB1 ALA 38 9.239 3.683 -0.155 286 HB2 ALA 38 HB2 ALA 38 9.694 3.997 1.519 287 HB3 ALA 38 HB3 ALA 38 9.801 5.285 0.320 288 H ALA 39 HN ALA 39 7.557 7.268 0.304 289 HA ALA 39 HA ALA 39 5.712 6.718 -1.908 290 HB1 ALA 39 HB1 ALA 39 6.440 9.321 -0.564 291 HB2 ALA 39 HB2 ALA 39 4.999 8.354 -0.245 292 HB3 ALA 39 HB3 ALA 39 5.219 9.116 -1.821 293 HA PRO 40 HA PRO 40 8.763 7.679 -5.040 294 HB2 PRO 40 HB2 PRO 40 6.453 8.804 -6.508 295 HB3 PRO 40 HB1 PRO 40 7.578 7.533 -6.995 296 HG2 PRO 40 HG2 PRO 40 5.063 6.957 -6.303 297 HG3 PRO 40 HG1 PRO 40 6.406 5.881 -5.874 298 HD2 PRO 40 HD2 PRO 40 4.937 7.850 -4.165 299 HD3 PRO 40 HD1 PRO 40 5.520 6.222 -3.762 300 HA PRO 41 HA PRO 41 9.803 11.863 -4.205 301 HB2 PRO 41 HB2 PRO 41 10.723 12.026 -7.026 302 HB3 PRO 41 HB1 PRO 41 11.611 12.336 -5.530 303 HG2 PRO 41 HG2 PRO 41 12.043 10.112 -6.925 304 HG3 PRO 41 HG1 PRO 41 12.023 10.085 -5.152 305 HD2 PRO 41 HD2 PRO 41 9.919 9.199 -7.087 306 HD3 PRO 41 HD1 PRO 41 10.425 8.459 -5.553 307 H ALA 42 HN ALA 42 7.790 11.098 -6.929 308 HA ALA 42 HA ALA 42 7.135 13.770 -7.672 309 HB1 ALA 42 HB1 ALA 42 5.348 12.764 -8.981 310 HB2 ALA 42 HB2 ALA 42 5.605 11.220 -8.168 311 HB3 ALA 42 HB3 ALA 42 6.863 11.888 -9.209 312 H GLY 43 HN GLY 43 6.057 11.645 -5.169 313 HA2 GLY 43 HA2 GLY 43 4.876 12.462 -3.288 314 HA3 GLY 43 HA1 GLY 43 4.181 13.717 -4.300 315 H LEU 44 HN LEU 44 2.496 12.490 -2.729 316 HA LEU 44 HA LEU 44 1.321 10.186 -4.073 317 HB2 LEU 44 HB2 LEU 44 0.554 11.570 -1.497 318 HB3 LEU 44 HB1 LEU 44 -0.211 10.125 -2.124 319 HG LEU 44 HG LEU 44 1.226 9.352 -0.455 320 HD11 LEU 44 HD11 LEU 44 1.420 8.010 -2.439 321 HD12 LEU 44 HD12 LEU 44 2.988 8.097 -1.633 322 HD13 LEU 44 HD13 LEU 44 2.680 9.070 -3.073 323 HD21 LEU 44 HD21 LEU 44 3.388 11.124 -1.586 324 HD22 LEU 44 HD22 LEU 44 3.582 10.001 -0.239 325 HD23 LEU 44 HD23 LEU 44 2.501 11.387 -0.085 326 HA PRO 45 HA PRO 45 -2.023 12.551 -5.874 327 HB2 PRO 45 HB2 PRO 45 -3.730 10.211 -5.642 328 HB3 PRO 45 HB1 PRO 45 -3.046 10.941 -7.097 329 HG2 PRO 45 HG2 PRO 45 -2.268 8.519 -6.148 330 HG3 PRO 45 HG1 PRO 45 -1.200 9.591 -7.069 331 HD2 PRO 45 HD2 PRO 45 -1.328 9.121 -4.119 332 HD3 PRO 45 HD1 PRO 45 0.085 9.345 -5.168 333 H GLN 46 HN GLN 46 -4.658 12.259 -5.458 334 HA GLN 46 HA GLN 46 -4.970 12.695 -2.562 335 HB2 GLN 46 HB2 GLN 46 -6.525 14.001 -4.801 336 HB3 GLN 46 HB1 GLN 46 -6.777 14.266 -3.085 337 HG2 GLN 46 HG2 GLN 46 -5.388 15.984 -3.260 338 HG3 GLN 46 HG1 GLN 46 -4.092 14.801 -3.445 339 HE21 GLN 46 HE21 GLN 46 -5.286 13.918 -6.037 340 HE22 GLN 46 HE22 GLN 46 -4.790 15.126 -7.177 341 H GLY 47 HN GLY 47 -7.101 12.214 -1.696 342 HA2 GLY 47 HA2 GLY 47 -9.167 11.101 -1.697 343 HA3 GLY 47 HA1 GLY 47 -8.820 10.519 -3.324 344 H LEU 48 HN LEU 48 -6.241 10.124 -1.214 345 HA LEU 48 HA LEU 48 -6.999 7.404 -0.490 346 HB2 LEU 48 HB2 LEU 48 -4.533 6.881 -1.131 347 HB3 LEU 48 HB1 LEU 48 -5.775 6.919 -2.361 348 HG LEU 48 HG LEU 48 -5.011 9.381 -2.707 349 HD11 LEU 48 HD11 LEU 48 -2.654 9.765 -2.260 350 HD12 LEU 48 HD12 LEU 48 -2.541 8.206 -1.442 351 HD13 LEU 48 HD13 LEU 48 -3.537 9.490 -0.758 352 HD21 LEU 48 HD21 LEU 48 -3.331 7.037 -3.569 353 HD22 LEU 48 HD22 LEU 48 -3.361 8.622 -4.340 354 HD23 LEU 48 HD23 LEU 48 -4.804 7.608 -4.351 355 H LYS 49 HN LYS 49 -7.146 9.408 1.272 356 HA LYS 49 HA LYS 49 -4.594 9.663 2.686 357 HB2 LYS 49 HB2 LYS 49 -6.027 11.335 4.060 358 HB3 LYS 49 HB1 LYS 49 -5.567 11.778 2.418 359 HG2 LYS 49 HG2 LYS 49 -7.677 11.564 1.616 360 HG3 LYS 49 HG1 LYS 49 -8.119 10.333 2.795 361 HD2 LYS 49 HD2 LYS 49 -8.080 12.153 4.536 362 HD3 LYS 49 HD1 LYS 49 -7.933 13.305 3.203 363 HE2 LYS 49 HE2 LYS 49 -10.272 12.950 3.972 364 HE3 LYS 49 HE1 LYS 49 -10.012 12.588 2.266 365 HZ1 LYS 49 HZ1 LYS 49 -11.345 10.872 3.285 366 HZ2 LYS 49 HZ2 LYS 49 -10.174 10.608 4.477 367 HZ3 LYS 49 HZ3 LYS 49 -9.835 10.222 2.855 368 H ALA 50 HN ALA 50 -5.144 9.948 5.230 369 HA ALA 50 HA ALA 50 -5.398 7.425 6.279 370 HB1 ALA 50 HB1 ALA 50 -6.129 10.015 7.639 371 HB2 ALA 50 HB2 ALA 50 -4.504 9.338 7.506 372 HB3 ALA 50 HB3 ALA 50 -5.737 8.494 8.444 373 H GLY 51 HN GLY 51 -7.007 6.029 6.311 374 HA2 GLY 51 HA2 GLY 51 -9.182 5.431 7.171 375 HA3 GLY 51 HA1 GLY 51 -9.751 7.028 6.711 376 H ASP 52 HN ASP 52 -8.133 6.603 4.109 377 HA ASP 52 HA ASP 52 -10.435 5.636 2.676 378 HB2 ASP 52 HB2 ASP 52 -7.819 6.839 1.835 379 HB3 ASP 52 HB1 ASP 52 -8.863 6.061 0.656 380 H ARG 53 HN ARG 53 -10.307 4.070 0.994 381 HA ARG 53 HA ARG 53 -8.493 1.858 1.639 382 HB2 ARG 53 HB2 ARG 53 -11.289 2.022 1.325 383 HB3 ARG 53 HB1 ARG 53 -10.688 1.136 -0.065 384 HG2 ARG 53 HG2 ARG 53 -11.312 -0.381 1.700 385 HG3 ARG 53 HG1 ARG 53 -9.570 -0.421 1.434 386 HD2 ARG 53 HD2 ARG 53 -10.394 -0.360 3.847 387 HD3 ARG 53 HD1 ARG 53 -9.112 0.756 3.380 388 HE ARG 53 HE ARG 53 -10.600 2.537 3.560 389 HH11 ARG 53 HH11 ARG 53 -12.228 -0.503 4.222 390 HH12 ARG 53 HH12 ARG 53 -13.599 0.266 4.975 391 HH21 ARG 53 HH21 ARG 53 -12.362 3.521 4.581 392 HH22 ARG 53 HH22 ARG 53 -13.653 2.547 5.222 393 H VAL 54 HN VAL 54 -6.927 1.533 0.182 394 HA VAL 54 HA VAL 54 -7.495 2.208 -2.619 395 HB VAL 54 HB VAL 54 -5.066 2.877 -2.823 396 HG11 VAL 54 HG11 VAL 54 -5.467 5.132 -1.962 397 HG12 VAL 54 HG12 VAL 54 -6.844 4.534 -1.037 398 HG13 VAL 54 HG13 VAL 54 -6.887 4.501 -2.799 399 HG21 VAL 54 HG21 VAL 54 -5.275 3.012 0.186 400 HG22 VAL 54 HG22 VAL 54 -3.912 3.551 -0.800 401 HG23 VAL 54 HG23 VAL 54 -4.318 1.837 -0.720 402 H ALA 55 HN ALA 55 -6.496 0.996 -4.193 403 HA ALA 55 HA ALA 55 -5.285 -1.541 -3.301 404 HB1 ALA 55 HB1 ALA 55 -6.005 -2.478 -5.413 405 HB2 ALA 55 HB2 ALA 55 -6.541 -0.895 -5.972 406 HB3 ALA 55 HB3 ALA 55 -7.386 -1.691 -4.643 407 H PHE 56 HN PHE 56 -3.119 -1.748 -3.646 408 HA PHE 56 HA PHE 56 -1.886 0.083 -5.585 409 HB2 PHE 56 HB2 PHE 56 -0.154 0.637 -3.830 410 HB3 PHE 56 HB1 PHE 56 -1.751 1.321 -3.584 411 HD1 PHE 56 HD1 PHE 56 -3.203 0.508 -1.800 412 HD2 PHE 56 HD2 PHE 56 0.752 -0.991 -2.299 413 HE1 PHE 56 HE1 PHE 56 -3.276 -0.429 0.474 414 HE2 PHE 56 HE2 PHE 56 0.680 -1.928 -0.023 415 HZ PHE 56 HZ PHE 56 -1.332 -1.647 1.362 416 H SER 57 HN SER 57 0.407 -0.299 -5.948 417 HA SER 57 HA SER 57 1.271 -3.037 -5.301 418 HB2 SER 57 HB2 SER 57 2.627 -2.977 -7.379 419 HB3 SER 57 HB1 SER 57 0.899 -2.847 -7.707 420 HG SER 57 HG SER 57 2.684 -1.282 -8.627 421 H PHE 58 HN PHE 58 3.358 -3.276 -4.551 422 HA PHE 58 HA PHE 58 5.005 -0.884 -4.226 423 HB2 PHE 58 HB2 PHE 58 5.196 -1.109 -1.857 424 HB3 PHE 58 HB1 PHE 58 3.473 -1.117 -2.218 425 HD1 PHE 58 HD1 PHE 58 2.305 -3.387 -2.366 426 HD2 PHE 58 HD2 PHE 58 6.161 -2.850 -0.653 427 HE1 PHE 58 HE1 PHE 58 2.081 -5.534 -1.192 428 HE2 PHE 58 HE2 PHE 58 5.943 -4.998 0.527 429 HZ PHE 58 HZ PHE 58 3.900 -6.345 0.251 430 H ARG 59 HN ARG 59 7.231 -1.436 -3.508 431 HA ARG 59 HA ARG 59 7.905 -4.198 -4.305 432 HB2 ARG 59 HB2 ARG 59 9.954 -2.056 -3.882 433 HB3 ARG 59 HB1 ARG 59 10.052 -3.493 -4.880 434 HG2 ARG 59 HG2 ARG 59 8.473 -2.476 -6.462 435 HG3 ARG 59 HG1 ARG 59 8.469 -1.009 -5.469 436 HD2 ARG 59 HD2 ARG 59 10.708 -2.202 -7.064 437 HD3 ARG 59 HD1 ARG 59 10.067 -0.558 -7.108 438 HE ARG 59 HE ARG 59 11.516 -1.587 -4.754 439 HH11 ARG 59 HH11 ARG 59 11.060 0.827 -7.230 440 HH12 ARG 59 HH12 ARG 59 12.245 1.912 -6.565 441 HH21 ARG 59 HH21 ARG 59 13.081 -0.174 -3.867 442 HH22 ARG 59 HH22 ARG 59 13.422 1.328 -4.678 443 H LEU 60 HN LEU 60 9.564 -5.287 -3.079 444 HA LEU 60 HA LEU 60 9.777 -4.346 -0.307 445 HB2 LEU 60 HB2 LEU 60 9.724 -7.060 -1.519 446 HB3 LEU 60 HB1 LEU 60 10.699 -6.826 -0.081 447 HG LEU 60 HG LEU 60 7.742 -6.243 -0.290 448 HD11 LEU 60 HD11 LEU 60 8.232 -8.638 -0.356 449 HD12 LEU 60 HD12 LEU 60 7.459 -8.175 1.159 450 HD13 LEU 60 HD13 LEU 60 9.194 -8.483 1.113 451 HD21 LEU 60 HD21 LEU 60 7.911 -5.978 2.162 452 HD22 LEU 60 HD22 LEU 60 8.834 -4.762 1.280 453 HD23 LEU 60 HD23 LEU 60 9.665 -6.121 2.035 454 H ASP 61 HN ASP 61 11.597 -3.404 0.173 455 HA ASP 61 HA ASP 61 13.916 -3.715 -1.523 456 HB2 ASP 61 HB2 ASP 61 13.460 -2.000 0.927 457 HB3 ASP 61 HB1 ASP 61 14.912 -1.970 -0.061 458 HA PRO 62 HA PRO 62 16.234 -6.676 0.405 459 HB2 PRO 62 HB2 PRO 62 18.277 -4.834 1.542 460 HB3 PRO 62 HB1 PRO 62 18.482 -6.215 0.458 461 HG2 PRO 62 HG2 PRO 62 18.661 -3.741 -0.489 462 HG3 PRO 62 HG1 PRO 62 17.832 -5.005 -1.420 463 HD2 PRO 62 HD2 PRO 62 16.666 -2.803 0.243 464 HD3 PRO 62 HD1 PRO 62 16.134 -3.413 -1.334 465 H HIS 63 HN HIS 63 15.495 -4.087 2.627 466 HA HIS 63 HA HIS 63 16.193 -5.700 4.957 467 HB2 HIS 63 HB2 HIS 63 15.459 -2.863 4.498 468 HB3 HIS 63 HB1 HIS 63 14.981 -3.560 6.040 469 HD1 HIS 63 HD1 HIS 63 16.846 -4.130 7.722 470 HD2 HIS 63 HD2 HIS 63 18.220 -2.536 4.130 471 HE1 HIS 63 HE1 HIS 63 19.256 -3.512 8.124 472 HE2 HIS 63 HE2 HIS 63 20.049 -2.486 5.959 473 H GLY 64 HN GLY 64 13.601 -5.422 2.905 474 HA2 GLY 64 HA2 GLY 64 11.506 -6.506 3.186 475 HA3 GLY 64 HA1 GLY 64 11.726 -6.420 4.932 476 H MET 65 HN MET 65 12.350 -3.745 2.841 477 HA MET 65 HA MET 65 10.397 -2.144 4.272 478 HB2 MET 65 HB2 MET 65 12.433 -1.339 2.184 479 HB3 MET 65 HB1 MET 65 11.473 -0.240 3.167 480 HG2 MET 65 HG2 MET 65 12.565 -1.078 5.171 481 HG3 MET 65 HG1 MET 65 13.526 -2.181 4.194 482 HE1 MET 65 HE1 MET 65 13.886 2.419 3.994 483 HE2 MET 65 HE2 MET 65 12.821 1.574 5.116 484 HE3 MET 65 HE3 MET 65 12.489 1.534 3.384 485 H ALA 66 HN ALA 66 8.757 -0.976 3.256 486 HA ALA 66 HA ALA 66 7.935 -2.138 0.689 487 HB1 ALA 66 HB1 ALA 66 6.470 -2.657 2.579 488 HB2 ALA 66 HB2 ALA 66 5.648 -1.669 1.371 489 HB3 ALA 66 HB3 ALA 66 6.233 -0.932 2.863 490 H THR 67 HN THR 67 8.019 -0.828 -1.006 491 HA THR 67 HA THR 67 7.711 2.067 -0.547 492 HB THR 67 HB THR 67 10.007 1.528 -1.197 493 HG1 THR 67 HG1 THR 67 8.349 3.160 -2.601 494 HG21 THR 67 HG21 THR 67 8.791 0.366 -3.690 495 HG22 THR 67 HG22 THR 67 9.634 -0.526 -2.423 496 HG23 THR 67 HG23 THR 67 10.512 0.633 -3.422 497 H LEU 68 HN LEU 68 6.060 3.004 -1.591 498 HA LEU 68 HA LEU 68 4.279 1.374 -3.112 499 HB2 LEU 68 HB2 LEU 68 4.286 4.307 -2.456 500 HB3 LEU 68 HB1 LEU 68 3.055 3.578 -3.466 501 HG LEU 68 HG LEU 68 3.620 2.863 -0.587 502 HD11 LEU 68 HD11 LEU 68 1.437 3.894 -0.165 503 HD12 LEU 68 HD12 LEU 68 1.341 4.374 -1.859 504 HD13 LEU 68 HD13 LEU 68 2.590 5.056 -0.818 505 HD21 LEU 68 HD21 LEU 68 1.464 1.903 -2.468 506 HD22 LEU 68 HD22 LEU 68 1.606 1.497 -0.757 507 HD23 LEU 68 HD23 LEU 68 2.836 0.954 -1.897 508 H VAL 69 HN VAL 69 3.868 1.373 -5.257 509 HA VAL 69 HA VAL 69 5.715 2.931 -6.941 510 HB VAL 69 HB VAL 69 4.213 0.424 -7.704 511 HG11 VAL 69 HG11 VAL 69 6.525 1.853 -9.012 512 HG12 VAL 69 HG12 VAL 69 4.858 1.824 -9.587 513 HG13 VAL 69 HG13 VAL 69 5.808 0.338 -9.560 514 HG21 VAL 69 HG21 VAL 69 7.073 0.697 -6.776 515 HG22 VAL 69 HG22 VAL 69 6.329 -0.775 -7.402 516 HG23 VAL 69 HG23 VAL 69 5.760 -0.075 -5.883 517 H THR 70 HN THR 70 2.450 1.535 -6.928 518 HA THR 70 HA THR 70 1.360 4.023 -7.970 519 HB THR 70 HB THR 70 -0.059 2.658 -9.618 520 HG1 THR 70 HG1 THR 70 1.391 0.674 -8.603 521 HG21 THR 70 HG21 THR 70 2.890 2.981 -10.162 522 HG22 THR 70 HG22 THR 70 1.651 4.223 -10.362 523 HG23 THR 70 HG23 THR 70 1.636 2.785 -11.385 524 H VAL 71 HN VAL 71 -0.794 4.359 -7.358 525 HA VAL 71 HA VAL 71 -2.128 2.176 -5.941 526 HB VAL 71 HB VAL 71 -0.875 3.361 -4.207 527 HG11 VAL 71 HG11 VAL 71 -0.722 5.553 -5.262 528 HG12 VAL 71 HG12 VAL 71 -1.373 5.667 -3.627 529 HG13 VAL 71 HG13 VAL 71 -2.453 5.792 -5.015 530 HG21 VAL 71 HG21 VAL 71 -2.976 2.379 -3.582 531 HG22 VAL 71 HG22 VAL 71 -3.845 3.825 -4.104 532 HG23 VAL 71 HG23 VAL 71 -2.759 3.901 -2.715 533 H ALA 72 HN ALA 72 -4.253 2.113 -6.268 534 HA ALA 72 HA ALA 72 -5.569 4.498 -7.397 535 HB1 ALA 72 HB1 ALA 72 -6.118 1.617 -8.107 536 HB2 ALA 72 HB2 ALA 72 -5.246 2.774 -9.110 537 HB3 ALA 72 HB3 ALA 72 -6.954 3.028 -8.755 538 HA PRO 73 HA PRO 73 -8.219 4.252 -3.845 539 HB2 PRO 73 HB2 PRO 73 -10.135 5.588 -5.689 540 HB3 PRO 73 HB1 PRO 73 -9.588 6.086 -4.083 541 HG2 PRO 73 HG2 PRO 73 -8.689 7.340 -6.238 542 HG3 PRO 73 HG1 PRO 73 -7.588 6.953 -4.899 543 HD2 PRO 73 HD2 PRO 73 -7.930 5.556 -7.531 544 HD3 PRO 73 HD1 PRO 73 -6.436 5.963 -6.659 545 H GLN 74 HN GLN 74 -9.437 2.619 -3.200 546 HA GLN 74 HA GLN 74 -11.142 1.210 -5.160 547 HB2 GLN 74 HB2 GLN 74 -10.734 -0.847 -3.874 548 HB3 GLN 74 HB1 GLN 74 -9.242 -0.181 -4.517 549 HG2 GLN 74 HG2 GLN 74 -8.388 0.219 -2.492 550 HG3 GLN 74 HG1 GLN 74 -9.937 0.737 -1.831 551 HE21 GLN 74 HE21 GLN 74 -7.831 -1.949 -2.418 552 HE22 GLN 74 HE22 GLN 74 -8.658 -3.073 -1.403 553 H VAL 75 HN VAL 75 -12.734 -0.212 -3.871 554 HA VAL 75 HA VAL 75 -13.815 1.225 -1.564 555 HB VAL 75 HB VAL 75 -16.144 0.940 -2.530 556 HG11 VAL 75 HG11 VAL 75 -15.061 3.108 -2.409 557 HG12 VAL 75 HG12 VAL 75 -15.979 2.980 -3.909 558 HG13 VAL 75 HG13 VAL 75 -14.223 2.799 -3.929 559 HG21 VAL 75 HG21 VAL 75 -15.614 -0.654 -4.306 560 HG22 VAL 75 HG22 VAL 75 -14.595 0.551 -5.095 561 HG23 VAL 75 HG23 VAL 75 -16.336 0.809 -4.978 562 H GLN 76 HN GLN 76 -12.857 -0.567 -0.487 563 HA GLN 76 HA GLN 76 -12.664 -2.638 0.394 564 HB2 GLN 76 HB2 GLN 76 -15.367 -3.080 -0.875 565 HB3 GLN 76 HB1 GLN 76 -14.579 -4.234 0.192 566 HG2 GLN 76 HG2 GLN 76 -15.445 -1.441 0.922 567 HG3 GLN 76 HG1 GLN 76 -16.277 -2.931 1.357 568 HE21 GLN 76 HE21 GLN 76 -13.788 -4.372 1.863 569 HE22 GLN 76 HE22 GLN 76 -13.187 -3.772 3.365 570 H THR 77 HN THR 77 -12.287 -4.967 -0.356 571 HA THR 77 HA THR 77 -10.767 -4.876 -2.706 572 HB THR 77 HB THR 77 -11.802 -7.367 -1.357 573 HG1 THR 77 HG1 THR 77 -10.654 -6.247 0.184 574 HG21 THR 77 HG21 THR 77 -9.782 -8.399 -2.324 575 HG22 THR 77 HG22 THR 77 -9.409 -6.878 -3.138 576 HG23 THR 77 HG23 THR 77 -10.863 -7.778 -3.573 577 H ALA 78 HN ALA 78 -11.739 -4.347 -4.507 578 HA ALA 78 HA ALA 78 -14.261 -5.564 -5.311 579 HB1 ALA 78 HB1 ALA 78 -14.227 -3.876 -7.103 580 HB2 ALA 78 HB2 ALA 78 -12.636 -3.339 -6.562 581 HB3 ALA 78 HB3 ALA 78 -14.038 -3.143 -5.510 582 H GLY 79 HN GLY 79 -11.327 -6.668 -5.365 583 HA2 GLY 79 HA2 GLY 79 -10.398 -8.383 -6.628 584 HA3 GLY 79 HA1 GLY 79 -11.634 -8.112 -7.852 585 H ALA 80 HN ALA 80 -11.419 -6.087 -9.118 586 HA ALA 80 HA ALA 80 -10.274 -4.918 -10.679 587 HB1 ALA 80 HB1 ALA 80 -8.391 -3.584 -9.922 588 HB2 ALA 80 HB2 ALA 80 -8.235 -4.587 -8.478 589 HB3 ALA 80 HB3 ALA 80 -9.670 -3.584 -8.707 590 H LYS 81 HN LYS 81 -10.088 -7.133 -11.608 591 HA LYS 81 HA LYS 81 -7.286 -7.995 -11.810 592 HB2 LYS 81 HB2 LYS 81 -8.110 -10.185 -12.404 593 HB3 LYS 81 HB1 LYS 81 -8.945 -9.667 -10.950 594 HG2 LYS 81 HG2 LYS 81 -10.701 -10.510 -12.122 595 HG3 LYS 81 HG1 LYS 81 -10.746 -8.841 -12.702 596 HD2 LYS 81 HD2 LYS 81 -9.270 -9.599 -14.609 597 HD3 LYS 81 HD1 LYS 81 -9.578 -11.253 -14.079 598 HE2 LYS 81 HE2 LYS 81 -11.958 -10.953 -14.443 599 HE3 LYS 81 HE1 LYS 81 -11.696 -9.265 -14.890 600 HZ1 LYS 81 HZ1 LYS 81 -11.910 -10.546 -16.875 601 HZ2 LYS 81 HZ2 LYS 81 -10.755 -11.671 -16.350 602 HZ3 LYS 81 HZ3 LYS 81 -10.278 -10.088 -16.734 603 HA PRO 82 HA PRO 82 -7.075 -6.820 -16.104 604 HB2 PRO 82 HB2 PRO 82 -6.153 -9.573 -16.722 605 HB3 PRO 82 HB1 PRO 82 -5.365 -8.024 -17.046 606 HG2 PRO 82 HG2 PRO 82 -4.480 -9.635 -15.111 607 HG3 PRO 82 HG1 PRO 82 -4.492 -7.872 -14.904 608 HD2 PRO 82 HD2 PRO 82 -6.367 -9.928 -13.800 609 HD3 PRO 82 HD1 PRO 82 -5.717 -8.465 -13.033 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 13.810 -3.570 -6.788 2 H2 GLY 1 HT2 GLY 1 14.314 -3.226 -5.211 3 H3 GLY 1 HT3 GLY 1 12.770 -2.767 -5.723 4 HA2 GLY 1 HA1 GLY 1 13.741 -5.556 -5.424 5 HA3 GLY 1 HA2 GLY 1 12.654 -4.727 -4.316 6 HA PRO 2 HA PRO 2 10.454 -6.945 -8.024 7 HB2 PRO 2 HB2 PRO 2 9.620 -8.749 -5.809 8 HB3 PRO 2 HB1 PRO 2 10.033 -9.136 -7.484 9 HG2 PRO 2 HG2 PRO 2 11.740 -9.697 -5.538 10 HG3 PRO 2 HG1 PRO 2 12.320 -9.036 -7.080 11 HD2 PRO 2 HD2 PRO 2 11.918 -7.645 -4.456 12 HD3 PRO 2 HD1 PRO 2 13.254 -7.491 -5.620 13 H GLU 3 HN GLU 3 8.394 -6.392 -8.443 14 HA GLU 3 HA GLU 3 7.012 -4.844 -6.414 15 HB2 GLU 3 HB2 GLU 3 7.291 -4.088 -8.815 16 HB3 GLU 3 HB1 GLU 3 6.128 -5.329 -9.259 17 HG2 GLU 3 HG2 GLU 3 4.426 -4.275 -7.907 18 HG3 GLU 3 HG1 GLU 3 5.586 -3.082 -7.330 19 H HIS 4 HN HIS 4 5.308 -5.476 -5.298 20 HA HIS 4 HA HIS 4 3.800 -7.855 -6.169 21 HB2 HIS 4 HB2 HIS 4 4.330 -7.154 -3.270 22 HB3 HIS 4 HB1 HIS 4 3.638 -8.638 -3.909 23 HD1 HIS 4 HD1 HIS 4 5.319 -10.353 -4.999 24 HD2 HIS 4 HD2 HIS 4 7.086 -7.076 -3.134 25 HE1 HIS 4 HE1 HIS 4 7.750 -10.950 -4.730 26 HE2 HIS 4 HE2 HIS 4 8.803 -8.968 -3.566 27 H ARG 5 HN ARG 5 1.511 -7.738 -5.626 28 HA ARG 5 HA ARG 5 0.655 -4.975 -5.193 29 HB2 ARG 5 HB2 ARG 5 -0.627 -7.338 -6.466 30 HB3 ARG 5 HB1 ARG 5 -1.665 -6.118 -5.731 31 HG2 ARG 5 HG2 ARG 5 -0.397 -4.416 -7.125 32 HG3 ARG 5 HG1 ARG 5 0.278 -5.793 -7.999 33 HD2 ARG 5 HD2 ARG 5 -1.717 -4.816 -9.090 34 HD3 ARG 5 HD1 ARG 5 -1.915 -6.514 -8.660 35 HE ARG 5 HE ARG 5 -2.894 -4.834 -6.599 36 HH11 ARG 5 HH11 ARG 5 -3.683 -5.987 -9.804 37 HH12 ARG 5 HH12 ARG 5 -5.407 -5.846 -9.571 38 HH21 ARG 5 HH21 ARG 5 -5.170 -4.657 -6.289 39 HH22 ARG 5 HH22 ARG 5 -6.250 -5.113 -7.566 40 H ALA 6 HN ALA 6 -1.039 -4.439 -3.780 41 HA ALA 6 HA ALA 6 -2.028 -6.386 -1.902 42 HB1 ALA 6 HB1 ALA 6 -1.171 -5.259 0.090 43 HB2 ALA 6 HB2 ALA 6 -0.235 -4.165 -0.930 44 HB3 ALA 6 HB3 ALA 6 0.137 -5.889 -0.908 45 H VAL 7 HN VAL 7 -3.672 -5.516 -0.550 46 HA VAL 7 HA VAL 7 -4.572 -2.803 -1.240 47 HB VAL 7 HB VAL 7 -6.895 -3.554 -0.792 48 HG11 VAL 7 HG11 VAL 7 -6.103 -3.418 -3.080 49 HG12 VAL 7 HG12 VAL 7 -7.210 -4.779 -2.900 50 HG13 VAL 7 HG13 VAL 7 -5.470 -5.061 -2.982 51 HG21 VAL 7 HG21 VAL 7 -7.411 -5.951 -0.749 52 HG22 VAL 7 HG22 VAL 7 -6.420 -5.475 0.629 53 HG23 VAL 7 HG23 VAL 7 -5.686 -6.319 -0.734 54 H GLY 8 HN GLY 8 -5.369 -1.543 0.504 55 HA2 GLY 8 HA2 GLY 8 -5.596 -2.629 3.137 56 HA3 GLY 8 HA1 GLY 8 -4.065 -1.799 2.916 57 H ARG 9 HN ARG 9 -5.407 -0.735 4.816 58 HA ARG 9 HA ARG 9 -6.960 1.505 3.684 59 HB2 ARG 9 HB2 ARG 9 -8.034 -0.113 5.391 60 HB3 ARG 9 HB1 ARG 9 -7.001 0.678 6.577 61 HG2 ARG 9 HG2 ARG 9 -8.051 2.857 5.549 62 HG3 ARG 9 HG1 ARG 9 -9.336 1.743 5.080 63 HD2 ARG 9 HD2 ARG 9 -10.028 2.516 7.154 64 HD3 ARG 9 HD1 ARG 9 -9.263 0.973 7.534 65 HE ARG 9 HE ARG 9 -7.480 3.225 7.706 66 HH11 ARG 9 HH11 ARG 9 -9.730 1.172 9.417 67 HH12 ARG 9 HH12 ARG 9 -9.220 1.706 10.995 68 HH21 ARG 9 HH21 ARG 9 -6.783 3.921 9.769 69 HH22 ARG 9 HH22 ARG 9 -7.557 3.297 11.193 70 H ILE 10 HN ILE 10 -6.300 3.547 4.084 71 HA ILE 10 HA ILE 10 -3.589 3.908 4.887 72 HB ILE 10 HB ILE 10 -5.653 6.071 4.473 73 HG12 ILE 10 HG12 ILE 10 -5.650 4.586 2.527 74 HG13 ILE 10 HG11 ILE 10 -4.913 6.133 2.125 75 HG21 ILE 10 HG21 ILE 10 -3.616 6.858 5.491 76 HG22 ILE 10 HG22 ILE 10 -3.683 7.408 3.816 77 HG23 ILE 10 HG23 ILE 10 -2.648 6.051 4.258 78 HD11 ILE 10 HD11 ILE 10 -3.678 4.317 1.136 79 HD12 ILE 10 HD12 ILE 10 -3.464 3.569 2.719 80 HD13 ILE 10 HD13 ILE 10 -2.698 5.119 2.365 81 H GLN 11 HN GLN 11 -2.761 4.528 6.786 82 HA GLN 11 HA GLN 11 -4.578 5.054 9.020 83 HB2 GLN 11 HB2 GLN 11 -1.594 4.580 8.918 84 HB3 GLN 11 HB1 GLN 11 -2.487 4.931 10.390 85 HG2 GLN 11 HG2 GLN 11 -2.979 2.566 8.608 86 HG3 GLN 11 HG1 GLN 11 -1.993 2.544 10.068 87 HE21 GLN 11 HE21 GLN 11 -4.375 1.034 9.458 88 HE22 GLN 11 HE22 GLN 11 -5.517 1.404 10.703 89 H SER 12 HN SER 12 -1.812 6.456 7.326 90 HA SER 12 HA SER 12 -2.711 9.139 7.842 91 HB2 SER 12 HB2 SER 12 -0.047 8.251 8.970 92 HB3 SER 12 HB1 SER 12 -0.728 9.877 9.030 93 HG SER 12 HG SER 12 -2.485 8.132 10.055 94 H ILE 13 HN ILE 13 -1.390 10.720 6.693 95 HA ILE 13 HA ILE 13 0.141 9.486 4.490 96 HB ILE 13 HB ILE 13 -1.562 11.985 4.478 97 HG12 ILE 13 HG12 ILE 13 -1.732 9.387 2.936 98 HG13 ILE 13 HG11 ILE 13 -2.817 9.915 4.220 99 HG21 ILE 13 HG21 ILE 13 0.435 12.460 3.199 100 HG22 ILE 13 HG22 ILE 13 -0.929 12.235 2.103 101 HG23 ILE 13 HG23 ILE 13 0.260 10.948 2.307 102 HD11 ILE 13 HD11 ILE 13 -3.806 10.209 2.010 103 HD12 ILE 13 HD12 ILE 13 -2.470 11.266 1.551 104 HD13 ILE 13 HD13 ILE 13 -3.585 11.756 2.828 105 H GLY 14 HN GLY 14 2.065 10.322 3.906 106 HA2 GLY 14 HA2 GLY 14 3.037 12.753 5.251 107 HA3 GLY 14 HA1 GLY 14 4.046 11.311 5.177 108 H GLU 15 HN GLU 15 5.219 13.384 4.089 109 HA GLU 15 HA GLU 15 4.524 14.003 1.426 110 HB2 GLU 15 HB2 GLU 15 7.248 14.172 2.723 111 HB3 GLU 15 HB1 GLU 15 6.763 14.972 1.235 112 HG2 GLU 15 HG2 GLU 15 6.454 16.708 2.619 113 HG3 GLU 15 HG1 GLU 15 4.894 15.934 2.880 114 H ARG 16 HN ARG 16 6.913 11.732 2.764 115 HA ARG 16 HA ARG 16 7.014 10.475 0.115 116 HB2 ARG 16 HB2 ARG 16 9.507 10.061 0.615 117 HB3 ARG 16 HB1 ARG 16 9.009 11.642 0.045 118 HG2 ARG 16 HG2 ARG 16 10.560 12.055 1.751 119 HG3 ARG 16 HG1 ARG 16 8.983 12.357 2.482 120 HD2 ARG 16 HD2 ARG 16 10.588 11.067 3.908 121 HD3 ARG 16 HD1 ARG 16 9.035 10.279 3.637 122 HE ARG 16 HE ARG 16 10.865 9.408 1.685 123 HH11 ARG 16 HH11 ARG 16 10.451 9.178 5.163 124 HH12 ARG 16 HH12 ARG 16 10.978 7.516 5.238 125 HH21 ARG 16 HH21 ARG 16 11.584 7.242 1.789 126 HH22 ARG 16 HH22 ARG 16 11.632 6.428 3.323 127 H SER 17 HN SER 17 6.202 10.028 3.209 128 HA SER 17 HA SER 17 6.099 7.186 2.766 129 HB2 SER 17 HB2 SER 17 6.955 6.744 5.148 130 HB3 SER 17 HB1 SER 17 8.147 7.079 3.900 131 HG SER 17 HG SER 17 8.778 8.491 5.365 132 H LEU 18 HN LEU 18 4.458 6.199 3.848 133 HA LEU 18 HA LEU 18 2.914 7.685 5.797 134 HB2 LEU 18 HB2 LEU 18 0.818 7.166 4.290 135 HB3 LEU 18 HB1 LEU 18 1.738 8.646 4.113 136 HG LEU 18 HG LEU 18 3.023 7.390 2.267 137 HD11 LEU 18 HD11 LEU 18 2.176 5.158 2.775 138 HD12 LEU 18 HD12 LEU 18 1.771 5.647 1.130 139 HD13 LEU 18 HD13 LEU 18 0.539 5.688 2.391 140 HD21 LEU 18 HD21 LEU 18 1.324 8.041 0.624 141 HD22 LEU 18 HD22 LEU 18 1.548 9.264 1.875 142 HD23 LEU 18 HD23 LEU 18 0.141 8.199 1.924 143 H ILE 19 HN ILE 19 1.210 6.389 6.766 144 HA ILE 19 HA ILE 19 2.163 3.629 6.925 145 HB ILE 19 HB ILE 19 0.342 5.096 8.837 146 HG12 ILE 19 HG12 ILE 19 3.327 4.604 9.024 147 HG13 ILE 19 HG11 ILE 19 2.573 6.158 8.689 148 HG21 ILE 19 HG21 ILE 19 1.896 2.524 9.127 149 HG22 ILE 19 HG22 ILE 19 0.148 2.671 8.946 150 HG23 ILE 19 HG23 ILE 19 0.939 3.297 10.391 151 HD11 ILE 19 HD11 ILE 19 3.292 5.965 11.011 152 HD12 ILE 19 HD12 ILE 19 2.238 4.567 11.220 153 HD13 ILE 19 HD13 ILE 19 1.542 6.152 10.885 154 H ILE 20 HN ILE 20 0.974 1.965 6.260 155 HA ILE 20 HA ILE 20 -1.895 2.393 5.740 156 HB ILE 20 HB ILE 20 0.022 0.893 3.946 157 HG12 ILE 20 HG12 ILE 20 -1.506 3.450 3.416 158 HG13 ILE 20 HG11 ILE 20 0.206 3.372 3.815 159 HG21 ILE 20 HG21 ILE 20 -2.941 1.393 3.662 160 HG22 ILE 20 HG22 ILE 20 -2.168 -0.156 3.994 161 HG23 ILE 20 HG23 ILE 20 -1.907 0.644 2.444 162 HD11 ILE 20 HD11 ILE 20 -0.121 3.647 1.427 163 HD12 ILE 20 HD12 ILE 20 -1.106 2.186 1.378 164 HD13 ILE 20 HD13 ILE 20 0.608 2.079 1.774 165 H ALA 21 HN ALA 21 -3.142 0.933 6.684 166 HA ALA 21 HA ALA 21 -1.997 -1.523 7.751 167 HB1 ALA 21 HB1 ALA 21 -4.235 -1.915 8.687 168 HB2 ALA 21 HB2 ALA 21 -4.823 -0.466 7.872 169 HB3 ALA 21 HB3 ALA 21 -3.607 -0.330 9.143 170 H HIS 22 HN HIS 22 -1.494 -2.691 5.963 171 HA HIS 22 HA HIS 22 -3.424 -3.034 3.843 172 HB2 HIS 22 HB2 HIS 22 -1.659 -4.419 2.780 173 HB3 HIS 22 HB1 HIS 22 -1.096 -2.808 3.207 174 HD1 HIS 22 HD1 HIS 22 -0.965 -6.352 4.599 175 HD2 HIS 22 HD2 HIS 22 1.200 -2.794 4.650 176 HE1 HIS 22 HE1 HIS 22 1.167 -6.868 5.834 177 HE2 HIS 22 HE2 HIS 22 2.377 -4.666 5.992 178 H GLU 23 HN GLU 23 -4.252 -5.020 3.166 179 HA GLU 23 HA GLU 23 -5.078 -6.823 5.171 180 HB2 GLU 23 HB2 GLU 23 -5.071 -7.083 2.162 181 HB3 GLU 23 HB1 GLU 23 -5.886 -8.196 3.250 182 HG2 GLU 23 HG2 GLU 23 -6.488 -5.271 2.907 183 HG3 GLU 23 HG1 GLU 23 -7.448 -6.618 2.303 184 H ALA 24 HN ALA 24 -4.798 -9.332 4.034 185 HA ALA 24 HA ALA 24 -2.465 -10.214 5.248 186 HB1 ALA 24 HB1 ALA 24 -4.050 -11.651 3.129 187 HB2 ALA 24 HB2 ALA 24 -4.426 -11.628 4.853 188 HB3 ALA 24 HB3 ALA 24 -2.939 -12.387 4.286 189 H ILE 25 HN ILE 25 -3.087 -9.713 1.822 190 HA ILE 25 HA ILE 25 -1.684 -9.321 0.062 191 HB ILE 25 HB ILE 25 0.585 -9.434 2.068 192 HG12 ILE 25 HG12 ILE 25 -0.958 -7.103 0.911 193 HG13 ILE 25 HG11 ILE 25 -0.868 -7.588 2.599 194 HG21 ILE 25 HG21 ILE 25 0.518 -8.467 -0.795 195 HG22 ILE 25 HG22 ILE 25 1.356 -9.895 -0.190 196 HG23 ILE 25 HG23 ILE 25 1.881 -8.287 0.308 197 HD11 ILE 25 HD11 ILE 25 0.506 -5.638 2.176 198 HD12 ILE 25 HD12 ILE 25 1.405 -6.521 0.943 199 HD13 ILE 25 HD13 ILE 25 1.506 -7.017 2.632 200 HA PRO 26 HA PRO 26 -1.015 -13.822 -0.198 201 HB2 PRO 26 HB2 PRO 26 -2.030 -14.096 -2.686 202 HB3 PRO 26 HB1 PRO 26 -3.055 -13.997 -1.251 203 HG2 PRO 26 HG2 PRO 26 -2.371 -11.874 -3.242 204 HG3 PRO 26 HG1 PRO 26 -3.932 -12.238 -2.485 205 HD2 PRO 26 HD2 PRO 26 -2.297 -10.216 -1.657 206 HD3 PRO 26 HD1 PRO 26 -3.421 -11.066 -0.578 207 H SER 27 HN SER 27 0.190 -11.146 -1.894 208 HA SER 27 HA SER 27 1.907 -12.585 -3.692 209 HB2 SER 27 HB2 SER 27 1.908 -9.679 -2.838 210 HB3 SER 27 HB1 SER 27 2.851 -10.345 -4.174 211 HG SER 27 HG SER 27 0.705 -11.086 -4.985 212 H ALA 28 HN ALA 28 2.007 -11.650 -0.397 213 HA ALA 28 HA ALA 28 4.873 -12.324 -0.294 214 HB1 ALA 28 HB1 ALA 28 3.433 -10.343 1.466 215 HB2 ALA 28 HB2 ALA 28 4.526 -9.943 0.141 216 HB3 ALA 28 HB3 ALA 28 5.140 -10.780 1.567 217 H GLN 29 HN GLN 29 1.774 -13.175 0.639 218 HA GLN 29 HA GLN 29 0.898 -14.728 2.021 219 HB2 GLN 29 HB2 GLN 29 3.745 -15.573 1.920 220 HB3 GLN 29 HB1 GLN 29 2.745 -16.258 3.191 221 HG2 GLN 29 HG2 GLN 29 2.679 -17.774 1.386 222 HG3 GLN 29 HG1 GLN 29 1.122 -16.953 1.411 223 HE21 GLN 29 HE21 GLN 29 4.124 -15.603 0.167 224 HE22 GLN 29 HE22 GLN 29 3.615 -15.539 -1.488 225 H TRP 30 HN TRP 30 1.509 -12.118 2.996 226 HA TRP 30 HA TRP 30 2.342 -12.469 5.749 227 HB2 TRP 30 HB2 TRP 30 1.370 -10.035 4.237 228 HB3 TRP 30 HB1 TRP 30 1.782 -10.013 5.947 229 HD1 TRP 30 HD1 TRP 30 4.347 -12.163 4.974 230 HE1 TRP 30 HE1 TRP 30 6.505 -10.953 4.240 231 HE3 TRP 30 HE3 TRP 30 2.419 -7.501 4.142 232 HZ2 TRP 30 HZ2 TRP 30 7.274 -8.372 3.424 233 HZ3 TRP 30 HZ3 TRP 30 3.938 -5.716 3.391 234 HH2 TRP 30 HH2 TRP 30 6.311 -6.145 3.040 235 H GLY 31 HN GLY 31 0.806 -11.250 7.400 236 HA2 GLY 31 HA2 GLY 31 -1.884 -12.401 6.979 237 HA3 GLY 31 HA1 GLY 31 -1.033 -12.524 8.509 238 H ALA 32 HN ALA 32 -1.163 -9.694 6.444 239 HA ALA 32 HA ALA 32 -2.079 -7.631 6.644 240 HB1 ALA 32 HB1 ALA 32 -4.138 -7.302 7.908 241 HB2 ALA 32 HB2 ALA 32 -3.945 -8.891 8.651 242 HB3 ALA 32 HB3 ALA 32 -4.223 -8.758 6.914 243 H MET 33 HN MET 33 -1.279 -5.891 7.602 244 HA MET 33 HA MET 33 -1.059 -5.506 10.376 245 HB2 MET 33 HB2 MET 33 1.445 -5.477 10.548 246 HB3 MET 33 HB1 MET 33 0.737 -7.077 10.408 247 HG2 MET 33 HG2 MET 33 1.333 -7.150 8.056 248 HG3 MET 33 HG1 MET 33 2.009 -5.527 8.166 249 HE1 MET 33 HE1 MET 33 3.513 -8.295 7.126 250 HE2 MET 33 HE2 MET 33 5.125 -7.953 7.758 251 HE3 MET 33 HE3 MET 33 4.182 -6.667 7.004 252 H THR 34 HN THR 34 -0.479 -3.465 10.930 253 HA THR 34 HA THR 34 -0.625 -1.488 8.873 254 HB THR 34 HB THR 34 0.043 -1.098 11.799 255 HG1 THR 34 HG1 THR 34 -1.904 -2.226 11.671 256 HG21 THR 34 HG21 THR 34 -1.223 0.729 9.755 257 HG22 THR 34 HG22 THR 34 0.420 0.856 10.384 258 HG23 THR 34 HG23 THR 34 -0.956 1.111 11.458 259 H MET 35 HN MET 35 1.082 -1.128 7.610 260 HA MET 35 HA MET 35 3.719 -0.854 8.892 261 HB2 MET 35 HB2 MET 35 2.930 -2.488 6.560 262 HB3 MET 35 HB1 MET 35 4.431 -1.589 6.396 263 HG2 MET 35 HG2 MET 35 3.809 -3.451 8.670 264 HG3 MET 35 HG1 MET 35 4.714 -3.899 7.228 265 HE1 MET 35 HE1 MET 35 7.914 -1.683 7.524 266 HE2 MET 35 HE2 MET 35 6.428 -1.227 6.693 267 HE3 MET 35 HE3 MET 35 7.038 -2.876 6.563 268 H GLU 36 HN GLU 36 5.214 0.504 7.796 269 HA GLU 36 HA GLU 36 3.905 2.802 6.572 270 HB2 GLU 36 HB2 GLU 36 5.489 3.178 8.429 271 HB3 GLU 36 HB1 GLU 36 6.773 2.441 7.483 272 HG2 GLU 36 HG2 GLU 36 6.584 4.222 5.828 273 HG3 GLU 36 HG1 GLU 36 5.285 4.958 6.765 274 H PHE 37 HN PHE 37 4.207 3.450 4.510 275 HA PHE 37 HA PHE 37 5.895 1.740 2.803 276 HB2 PHE 37 HB2 PHE 37 3.252 3.084 2.225 277 HB3 PHE 37 HB1 PHE 37 4.307 2.483 0.950 278 HD1 PHE 37 HD1 PHE 37 2.353 1.475 3.920 279 HD2 PHE 37 HD2 PHE 37 4.327 0.199 0.372 280 HE1 PHE 37 HE1 PHE 37 1.355 -0.760 4.173 281 HE2 PHE 37 HE2 PHE 37 3.327 -2.034 0.614 282 HZ PHE 37 HZ PHE 37 1.864 -2.530 2.503 283 H ALA 38 HN ALA 38 7.265 2.697 1.410 284 HA ALA 38 HA ALA 38 7.720 5.555 1.842 285 HB1 ALA 38 HB1 ALA 38 9.512 3.492 0.563 286 HB2 ALA 38 HB2 ALA 38 9.610 4.040 2.236 287 HB3 ALA 38 HB3 ALA 38 9.939 5.166 0.920 288 H ALA 39 HN ALA 39 7.440 7.020 0.288 289 HA ALA 39 HA ALA 39 6.554 6.052 -2.344 290 HB1 ALA 39 HB1 ALA 39 6.079 8.719 -1.008 291 HB2 ALA 39 HB2 ALA 39 4.919 7.394 -1.105 292 HB3 ALA 39 HB3 ALA 39 5.444 8.219 -2.575 293 HA PRO 40 HA PRO 40 10.061 8.038 -4.293 294 HB2 PRO 40 HB2 PRO 40 8.267 8.848 -6.478 295 HB3 PRO 40 HB1 PRO 40 9.647 7.748 -6.519 296 HG2 PRO 40 HG2 PRO 40 7.115 6.867 -6.764 297 HG3 PRO 40 HG1 PRO 40 8.366 5.909 -5.949 298 HD2 PRO 40 HD2 PRO 40 6.194 7.597 -4.767 299 HD3 PRO 40 HD1 PRO 40 6.787 6.001 -4.256 300 HA PRO 41 HA PRO 41 9.895 12.357 -3.363 301 HB2 PRO 41 HB2 PRO 41 11.274 12.875 -5.939 302 HB3 PRO 41 HB1 PRO 41 11.750 13.313 -4.295 303 HG2 PRO 41 HG2 PRO 41 12.978 11.335 -5.592 304 HG3 PRO 41 HG1 PRO 41 12.647 11.224 -3.854 305 HD2 PRO 41 HD2 PRO 41 11.232 9.920 -6.142 306 HD3 PRO 41 HD1 PRO 41 11.606 9.275 -4.530 307 H ALA 42 HN ALA 42 8.634 11.173 -6.335 308 HA ALA 42 HA ALA 42 7.545 13.497 -7.450 309 HB1 ALA 42 HB1 ALA 42 6.004 11.998 -8.620 310 HB2 ALA 42 HB2 ALA 42 6.480 10.676 -7.553 311 HB3 ALA 42 HB3 ALA 42 7.657 11.385 -8.659 312 H GLY 43 HN GLY 43 6.369 11.346 -4.907 313 HA2 GLY 43 HA2 GLY 43 5.047 12.116 -3.116 314 HA3 GLY 43 HA1 GLY 43 4.489 13.440 -4.119 315 H LEU 44 HN LEU 44 2.696 12.085 -2.652 316 HA LEU 44 HA LEU 44 1.461 10.055 -4.349 317 HB2 LEU 44 HB2 LEU 44 0.726 10.998 -1.576 318 HB3 LEU 44 HB1 LEU 44 -0.081 9.712 -2.444 319 HG LEU 44 HG LEU 44 1.313 8.626 -0.918 320 HD11 LEU 44 HD11 LEU 44 1.454 7.675 -3.153 321 HD12 LEU 44 HD12 LEU 44 2.964 7.462 -2.268 322 HD13 LEU 44 HD13 LEU 44 2.840 8.706 -3.512 323 HD21 LEU 44 HD21 LEU 44 3.692 9.134 -0.617 324 HD22 LEU 44 HD22 LEU 44 2.665 10.512 -0.224 325 HD23 LEU 44 HD23 LEU 44 3.543 10.474 -1.754 326 HA PRO 45 HA PRO 45 -1.790 12.877 -5.615 327 HB2 PRO 45 HB2 PRO 45 -3.638 11.064 -6.377 328 HB3 PRO 45 HB1 PRO 45 -2.198 11.410 -7.347 329 HG2 PRO 45 HG2 PRO 45 -2.767 9.109 -5.537 330 HG3 PRO 45 HG1 PRO 45 -1.895 9.135 -7.080 331 HD2 PRO 45 HD2 PRO 45 -0.703 9.071 -4.590 332 HD3 PRO 45 HD1 PRO 45 0.084 9.654 -6.069 333 H GLN 46 HN GLN 46 -4.436 12.529 -5.384 334 HA GLN 46 HA GLN 46 -4.882 12.133 -2.512 335 HB2 GLN 46 HB2 GLN 46 -6.607 13.528 -4.561 336 HB3 GLN 46 HB1 GLN 46 -7.003 13.351 -2.859 337 HG2 GLN 46 HG2 GLN 46 -5.830 15.145 -2.337 338 HG3 GLN 46 HG1 GLN 46 -4.396 14.502 -3.143 339 HE21 GLN 46 HE21 GLN 46 -5.867 14.299 -5.688 340 HE22 GLN 46 HE22 GLN 46 -5.900 15.922 -6.310 341 H GLY 47 HN GLY 47 -7.340 11.422 -2.196 342 HA2 GLY 47 HA2 GLY 47 -8.986 9.819 -2.689 343 HA3 GLY 47 HA1 GLY 47 -8.005 9.286 -4.052 344 H LEU 48 HN LEU 48 -6.169 9.683 -1.285 345 HA LEU 48 HA LEU 48 -6.428 6.926 -0.403 346 HB2 LEU 48 HB2 LEU 48 -3.869 6.846 -0.576 347 HB3 LEU 48 HB1 LEU 48 -4.812 6.628 -2.032 348 HG LEU 48 HG LEU 48 -4.416 9.183 -2.361 349 HD11 LEU 48 HD11 LEU 48 -2.267 9.960 -1.508 350 HD12 LEU 48 HD12 LEU 48 -2.111 8.484 -0.554 351 HD13 LEU 48 HD13 LEU 48 -3.405 9.630 -0.200 352 HD21 LEU 48 HD21 LEU 48 -3.582 7.460 -3.839 353 HD22 LEU 48 HD22 LEU 48 -2.226 7.161 -2.751 354 HD23 LEU 48 HD23 LEU 48 -2.363 8.709 -3.585 355 H LYS 49 HN LYS 49 -7.302 8.949 1.165 356 HA LYS 49 HA LYS 49 -5.042 9.946 2.741 357 HB2 LYS 49 HB2 LYS 49 -6.435 11.638 3.547 358 HB3 LYS 49 HB1 LYS 49 -6.988 11.428 1.892 359 HG2 LYS 49 HG2 LYS 49 -8.861 10.083 2.675 360 HG3 LYS 49 HG1 LYS 49 -8.291 10.245 4.336 361 HD2 LYS 49 HD2 LYS 49 -9.961 11.857 4.160 362 HD3 LYS 49 HD1 LYS 49 -8.468 12.770 3.944 363 HE2 LYS 49 HE2 LYS 49 -10.009 13.529 2.298 364 HE3 LYS 49 HE1 LYS 49 -8.799 12.549 1.471 365 HZ1 LYS 49 HZ1 LYS 49 -10.320 10.719 1.386 366 HZ2 LYS 49 HZ2 LYS 49 -11.099 12.083 0.755 367 HZ3 LYS 49 HZ3 LYS 49 -11.462 11.546 2.323 368 H ALA 50 HN ALA 50 -5.353 10.026 5.145 369 HA ALA 50 HA ALA 50 -5.551 7.557 6.312 370 HB1 ALA 50 HB1 ALA 50 -6.229 10.198 7.599 371 HB2 ALA 50 HB2 ALA 50 -4.609 9.523 7.421 372 HB3 ALA 50 HB3 ALA 50 -5.795 8.713 8.444 373 H GLY 51 HN GLY 51 -7.203 6.196 6.116 374 HA2 GLY 51 HA2 GLY 51 -9.388 5.700 7.197 375 HA3 GLY 51 HA1 GLY 51 -9.929 7.247 6.566 376 H ASP 52 HN ASP 52 -8.300 6.619 4.050 377 HA ASP 52 HA ASP 52 -10.484 5.371 2.638 378 HB2 ASP 52 HB2 ASP 52 -7.882 6.613 1.813 379 HB3 ASP 52 HB1 ASP 52 -8.748 5.586 0.682 380 H ARG 53 HN ARG 53 -10.336 3.484 1.391 381 HA ARG 53 HA ARG 53 -8.099 1.710 2.103 382 HB2 ARG 53 HB2 ARG 53 -10.670 1.154 2.564 383 HB3 ARG 53 HB1 ARG 53 -10.594 0.620 0.889 384 HG2 ARG 53 HG2 ARG 53 -8.894 -0.969 1.391 385 HG3 ARG 53 HG1 ARG 53 -8.690 -0.323 3.021 386 HD2 ARG 53 HD2 ARG 53 -11.176 -0.924 3.325 387 HD3 ARG 53 HD1 ARG 53 -10.952 -1.928 1.893 388 HE ARG 53 HE ARG 53 -9.136 -3.050 3.196 389 HH11 ARG 53 HH11 ARG 53 -11.751 -1.390 4.817 390 HH12 ARG 53 HH12 ARG 53 -11.645 -2.363 6.256 391 HH21 ARG 53 HH21 ARG 53 -8.975 -4.329 5.112 392 HH22 ARG 53 HH22 ARG 53 -10.094 -4.022 6.413 393 H VAL 54 HN VAL 54 -6.698 1.355 0.521 394 HA VAL 54 HA VAL 54 -7.545 1.993 -2.229 395 HB VAL 54 HB VAL 54 -5.106 2.732 -2.557 396 HG11 VAL 54 HG11 VAL 54 -6.908 4.324 -0.725 397 HG12 VAL 54 HG12 VAL 54 -6.984 4.292 -2.486 398 HG13 VAL 54 HG13 VAL 54 -5.573 4.973 -1.676 399 HG21 VAL 54 HG21 VAL 54 -3.915 3.449 -0.574 400 HG22 VAL 54 HG22 VAL 54 -4.271 1.725 -0.457 401 HG23 VAL 54 HG23 VAL 54 -5.231 2.890 0.459 402 H ALA 55 HN ALA 55 -6.473 0.932 -3.929 403 HA ALA 55 HA ALA 55 -5.249 -1.647 -3.188 404 HB1 ALA 55 HB1 ALA 55 -5.974 -2.466 -5.370 405 HB2 ALA 55 HB2 ALA 55 -6.618 -0.874 -5.773 406 HB3 ALA 55 HB3 ALA 55 -7.353 -1.821 -4.478 407 H PHE 56 HN PHE 56 -3.153 -2.053 -3.914 408 HA PHE 56 HA PHE 56 -1.949 -0.084 -5.675 409 HB2 PHE 56 HB2 PHE 56 -0.238 0.550 -3.998 410 HB3 PHE 56 HB1 PHE 56 -1.857 1.067 -3.567 411 HD1 PHE 56 HD2 PHE 56 0.875 -1.227 -2.745 412 HD2 PHE 56 HD1 PHE 56 -2.985 0.188 -1.644 413 HE1 PHE 56 HE2 PHE 56 1.120 -2.286 -0.540 414 HE2 PHE 56 HE1 PHE 56 -2.739 -0.861 0.572 415 HZ PHE 56 HZ PHE 56 -0.686 -2.103 1.123 416 H SER 57 HN SER 57 0.375 -0.453 -5.996 417 HA SER 57 HA SER 57 1.233 -3.192 -5.381 418 HB2 SER 57 HB2 SER 57 2.418 -3.258 -7.547 419 HB3 SER 57 HB1 SER 57 0.680 -3.069 -7.768 420 HG SER 57 HG SER 57 2.548 -1.577 -8.773 421 H PHE 58 HN PHE 58 3.295 -3.379 -4.638 422 HA PHE 58 HA PHE 58 4.895 -0.923 -4.456 423 HB2 PHE 58 HB2 PHE 58 5.339 -1.325 -2.090 424 HB3 PHE 58 HB1 PHE 58 3.607 -1.153 -2.352 425 HD1 PHE 58 HD1 PHE 58 2.205 -3.268 -2.494 426 HD2 PHE 58 HD2 PHE 58 6.211 -3.235 -1.056 427 HE1 PHE 58 HE1 PHE 58 1.829 -5.437 -1.401 428 HE2 PHE 58 HE2 PHE 58 5.833 -5.401 0.046 429 HZ PHE 58 HZ PHE 58 3.643 -6.506 -0.132 430 H ARG 59 HN ARG 59 7.145 -1.300 -4.086 431 HA ARG 59 HA ARG 59 7.960 -3.994 -4.923 432 HB2 ARG 59 HB2 ARG 59 9.337 -1.319 -5.159 433 HB3 ARG 59 HB1 ARG 59 10.170 -2.844 -5.435 434 HG2 ARG 59 HG2 ARG 59 8.546 -3.387 -7.203 435 HG3 ARG 59 HG1 ARG 59 7.786 -1.814 -6.959 436 HD2 ARG 59 HD2 ARG 59 10.667 -2.233 -7.740 437 HD3 ARG 59 HD1 ARG 59 9.363 -1.873 -8.871 438 HE ARG 59 HE ARG 59 10.288 -0.050 -6.745 439 HH11 ARG 59 HH11 ARG 59 8.898 -0.650 -9.909 440 HH12 ARG 59 HH12 ARG 59 8.792 1.035 -10.323 441 HH21 ARG 59 HH21 ARG 59 10.150 2.176 -7.297 442 HH22 ARG 59 HH22 ARG 59 9.494 2.637 -8.848 443 H LEU 60 HN LEU 60 8.874 -5.280 -3.505 444 HA LEU 60 HA LEU 60 9.714 -4.216 -0.930 445 HB2 LEU 60 HB2 LEU 60 9.164 -6.939 -1.996 446 HB3 LEU 60 HB1 LEU 60 10.247 -6.785 -0.631 447 HG LEU 60 HG LEU 60 7.390 -5.816 -0.702 448 HD11 LEU 60 HD11 LEU 60 7.544 -8.246 -0.691 449 HD12 LEU 60 HD12 LEU 60 6.988 -7.650 0.875 450 HD13 LEU 60 HD13 LEU 60 8.660 -8.177 0.674 451 HD21 LEU 60 HD21 LEU 60 7.702 -5.439 1.694 452 HD22 LEU 60 HD22 LEU 60 8.826 -4.461 0.749 453 HD23 LEU 60 HD23 LEU 60 9.392 -5.923 1.556 454 H ASP 61 HN ASP 61 11.665 -3.449 -0.810 455 HA ASP 61 HA ASP 61 13.756 -4.335 -2.576 456 HB2 ASP 61 HB2 ASP 61 13.818 -2.353 -0.289 457 HB3 ASP 61 HB1 ASP 61 15.164 -2.673 -1.371 458 HA PRO 62 HA PRO 62 15.466 -7.545 -0.495 459 HB2 PRO 62 HB2 PRO 62 18.203 -6.495 -0.389 460 HB3 PRO 62 HB1 PRO 62 17.541 -7.815 -1.357 461 HG2 PRO 62 HG2 PRO 62 18.260 -5.462 -2.453 462 HG3 PRO 62 HG1 PRO 62 16.901 -6.419 -3.070 463 HD2 PRO 62 HD2 PRO 62 16.866 -3.994 -1.313 464 HD3 PRO 62 HD1 PRO 62 15.812 -4.411 -2.679 465 H HIS 63 HN HIS 63 15.483 -4.731 1.244 466 HA HIS 63 HA HIS 63 16.739 -5.997 3.583 467 HB2 HIS 63 HB2 HIS 63 16.310 -3.168 2.768 468 HB3 HIS 63 HB1 HIS 63 16.282 -3.542 4.486 469 HD1 HIS 63 HD1 HIS 63 18.477 -3.196 5.529 470 HD2 HIS 63 HD2 HIS 63 18.830 -4.467 1.580 471 HE1 HIS 63 HE1 HIS 63 20.952 -3.337 5.077 472 HE2 HIS 63 HE2 HIS 63 21.144 -4.048 2.663 473 H GLY 64 HN GLY 64 13.801 -5.540 2.167 474 HA2 GLY 64 HA2 GLY 64 11.744 -6.253 3.110 475 HA3 GLY 64 HA1 GLY 64 12.406 -5.961 4.716 476 H MET 65 HN MET 65 12.614 -3.741 2.040 477 HA MET 65 HA MET 65 11.076 -1.778 3.572 478 HB2 MET 65 HB2 MET 65 12.938 -1.482 1.208 479 HB3 MET 65 HB1 MET 65 11.996 -0.158 1.874 480 HG2 MET 65 HG2 MET 65 13.990 -1.757 3.441 481 HG3 MET 65 HG1 MET 65 14.354 -0.233 2.638 482 HE1 MET 65 HE1 MET 65 15.244 0.729 4.957 483 HE2 MET 65 HE2 MET 65 14.848 -0.790 5.762 484 HE3 MET 65 HE3 MET 65 14.292 0.737 6.444 485 H ALA 66 HN ALA 66 9.366 -0.639 2.587 486 HA ALA 66 HA ALA 66 8.129 -2.161 0.394 487 HB1 ALA 66 HB1 ALA 66 6.742 -0.857 2.741 488 HB2 ALA 66 HB2 ALA 66 6.979 -2.589 2.513 489 HB3 ALA 66 HB3 ALA 66 5.946 -1.689 1.404 490 H THR 67 HN THR 67 8.609 -0.874 -1.264 491 HA THR 67 HA THR 67 8.187 1.998 -0.947 492 HB THR 67 HB THR 67 9.543 0.697 -3.300 493 HG1 THR 67 HG1 THR 67 11.147 0.189 -1.981 494 HG21 THR 67 HG21 THR 67 8.926 3.069 -3.457 495 HG22 THR 67 HG22 THR 67 10.679 2.866 -3.395 496 HG23 THR 67 HG23 THR 67 9.797 3.386 -1.956 497 H LEU 68 HN LEU 68 6.399 2.826 -1.648 498 HA LEU 68 HA LEU 68 4.464 1.280 -3.061 499 HB2 LEU 68 HB2 LEU 68 3.937 2.909 -1.277 500 HB3 LEU 68 HB1 LEU 68 4.476 4.200 -2.329 501 HG LEU 68 HG LEU 68 2.654 3.712 -3.888 502 HD11 LEU 68 HD11 LEU 68 1.816 1.657 -1.840 503 HD12 LEU 68 HD12 LEU 68 2.430 1.315 -3.458 504 HD13 LEU 68 HD13 LEU 68 0.885 2.144 -3.258 505 HD21 LEU 68 HD21 LEU 68 0.827 4.490 -2.450 506 HD22 LEU 68 HD22 LEU 68 2.331 5.352 -2.115 507 HD23 LEU 68 HD23 LEU 68 1.783 4.080 -1.024 508 H VAL 69 HN VAL 69 4.238 1.089 -5.169 509 HA VAL 69 HA VAL 69 5.752 2.872 -6.925 510 HB VAL 69 HB VAL 69 4.245 0.356 -7.659 511 HG11 VAL 69 HG11 VAL 69 6.406 1.887 -9.097 512 HG12 VAL 69 HG12 VAL 69 4.698 1.839 -9.531 513 HG13 VAL 69 HG13 VAL 69 5.677 0.376 -9.641 514 HG21 VAL 69 HG21 VAL 69 7.150 0.694 -6.933 515 HG22 VAL 69 HG22 VAL 69 6.430 -0.774 -7.595 516 HG23 VAL 69 HG23 VAL 69 5.933 -0.185 -6.007 517 H THR 70 HN THR 70 2.517 1.427 -6.753 518 HA THR 70 HA THR 70 1.346 3.870 -7.816 519 HB THR 70 HB THR 70 -0.041 2.152 -9.348 520 HG1 THR 70 HG1 THR 70 1.440 0.409 -8.669 521 HG21 THR 70 HG21 THR 70 1.374 2.860 -11.231 522 HG22 THR 70 HG22 THR 70 2.589 3.428 -10.084 523 HG23 THR 70 HG23 THR 70 1.001 4.194 -10.138 524 H VAL 71 HN VAL 71 -0.652 4.251 -7.014 525 HA VAL 71 HA VAL 71 -2.100 2.037 -5.758 526 HB VAL 71 HB VAL 71 -0.858 3.079 -3.938 527 HG11 VAL 71 HG11 VAL 71 -1.249 5.389 -3.278 528 HG12 VAL 71 HG12 VAL 71 -2.255 5.628 -4.705 529 HG13 VAL 71 HG13 VAL 71 -0.530 5.295 -4.887 530 HG21 VAL 71 HG21 VAL 71 -2.777 3.767 -2.495 531 HG22 VAL 71 HG22 VAL 71 -2.994 2.224 -3.327 532 HG23 VAL 71 HG23 VAL 71 -3.807 3.673 -3.924 533 H ALA 72 HN ALA 72 -4.254 2.117 -6.010 534 HA ALA 72 HA ALA 72 -5.401 4.564 -7.182 535 HB1 ALA 72 HB1 ALA 72 -5.150 2.856 -8.903 536 HB2 ALA 72 HB2 ALA 72 -6.854 3.139 -8.553 537 HB3 ALA 72 HB3 ALA 72 -6.049 1.707 -7.911 538 HA PRO 73 HA PRO 73 -8.323 4.358 -3.878 539 HB2 PRO 73 HB2 PRO 73 -10.476 5.538 -5.069 540 HB3 PRO 73 HB1 PRO 73 -9.089 6.436 -4.429 541 HG2 PRO 73 HG2 PRO 73 -9.708 5.662 -7.249 542 HG3 PRO 73 HG1 PRO 73 -9.010 7.168 -6.627 543 HD2 PRO 73 HD2 PRO 73 -7.514 5.231 -7.789 544 HD3 PRO 73 HD1 PRO 73 -6.890 6.278 -6.497 545 H GLN 74 HN GLN 74 -9.088 2.411 -3.385 546 HA GLN 74 HA GLN 74 -11.144 1.257 -5.130 547 HB2 GLN 74 HB2 GLN 74 -10.694 -0.890 -4.250 548 HB3 GLN 74 HB1 GLN 74 -9.124 -0.180 -4.591 549 HG2 GLN 74 HG2 GLN 74 -8.610 0.084 -2.364 550 HG3 GLN 74 HG1 GLN 74 -10.299 0.043 -1.862 551 HE21 GLN 74 HE21 GLN 74 -8.041 -1.490 -0.878 552 HE22 GLN 74 HE22 GLN 74 -8.483 -3.145 -1.084 553 H VAL 75 HN VAL 75 -12.601 -0.228 -3.517 554 HA VAL 75 HA VAL 75 -13.421 1.465 -1.313 555 HB VAL 75 HB VAL 75 -14.816 2.409 -2.947 556 HG11 VAL 75 HG11 VAL 75 -14.429 0.880 -4.760 557 HG12 VAL 75 HG12 VAL 75 -16.166 1.103 -4.539 558 HG13 VAL 75 HG13 VAL 75 -15.389 -0.368 -3.956 559 HG21 VAL 75 HG21 VAL 75 -16.023 1.793 -0.922 560 HG22 VAL 75 HG22 VAL 75 -16.433 0.230 -1.630 561 HG23 VAL 75 HG23 VAL 75 -17.078 1.714 -2.333 562 H GLN 76 HN GLN 76 -12.980 0.051 0.159 563 HA GLN 76 HA GLN 76 -12.954 -1.745 1.442 564 HB2 GLN 76 HB2 GLN 76 -15.357 -1.673 1.447 565 HB3 GLN 76 HB1 GLN 76 -15.411 -2.519 -0.094 566 HG2 GLN 76 HG2 GLN 76 -15.959 -3.985 1.770 567 HG3 GLN 76 HG1 GLN 76 -14.502 -4.502 0.928 568 HE21 GLN 76 HE21 GLN 76 -13.715 -5.657 2.644 569 HE22 GLN 76 HE22 GLN 76 -13.117 -4.912 4.086 570 H THR 77 HN THR 77 -14.232 -3.607 -1.142 571 HA THR 77 HA THR 77 -11.577 -4.753 -1.610 572 HB THR 77 HB THR 77 -14.055 -6.444 -1.322 573 HG1 THR 77 HG1 THR 77 -11.933 -6.266 0.567 574 HG21 THR 77 HG21 THR 77 -12.444 -8.292 -1.204 575 HG22 THR 77 HG22 THR 77 -11.121 -7.147 -1.424 576 HG23 THR 77 HG23 THR 77 -12.293 -7.401 -2.719 577 H ALA 78 HN ALA 78 -11.442 -3.739 -3.567 578 HA ALA 78 HA ALA 78 -13.437 -4.059 -5.603 579 HB1 ALA 78 HB1 ALA 78 -10.552 -3.228 -5.910 580 HB2 ALA 78 HB2 ALA 78 -11.894 -2.140 -5.567 581 HB3 ALA 78 HB3 ALA 78 -11.842 -3.015 -7.096 582 H GLY 79 HN GLY 79 -13.793 -6.288 -5.687 583 HA2 GLY 79 HA2 GLY 79 -11.592 -8.078 -6.268 584 HA3 GLY 79 HA1 GLY 79 -13.284 -8.525 -6.095 585 H ALA 80 HN ALA 80 -11.036 -6.867 -8.260 586 HA ALA 80 HA ALA 80 -12.297 -8.190 -10.529 587 HB1 ALA 80 HB1 ALA 80 -11.920 -5.195 -10.419 588 HB2 ALA 80 HB2 ALA 80 -13.466 -6.039 -10.358 589 HB3 ALA 80 HB3 ALA 80 -12.474 -6.120 -11.815 590 H LYS 81 HN LYS 81 -10.895 -8.485 -12.264 591 HA LYS 81 HA LYS 81 -8.100 -7.746 -11.731 592 HB2 LYS 81 HB2 LYS 81 -9.263 -10.051 -13.305 593 HB3 LYS 81 HB1 LYS 81 -7.560 -9.617 -13.350 594 HG2 LYS 81 HG2 LYS 81 -9.106 -10.475 -10.912 595 HG3 LYS 81 HG1 LYS 81 -7.949 -11.453 -11.817 596 HD2 LYS 81 HD2 LYS 81 -7.333 -8.891 -10.344 597 HD3 LYS 81 HD1 LYS 81 -6.935 -10.518 -9.795 598 HE2 LYS 81 HE2 LYS 81 -5.918 -9.269 -12.345 599 HE3 LYS 81 HE1 LYS 81 -5.027 -9.306 -10.827 600 HZ1 LYS 81 HZ1 LYS 81 -5.089 -11.733 -10.908 601 HZ2 LYS 81 HZ2 LYS 81 -4.316 -11.082 -12.269 602 HZ3 LYS 81 HZ3 LYS 81 -5.899 -11.678 -12.401 603 HA PRO 82 HA PRO 82 -8.359 -5.402 -15.520 604 HB2 PRO 82 HB2 PRO 82 -5.624 -4.680 -15.339 605 HB3 PRO 82 HB1 PRO 82 -7.009 -3.749 -14.767 606 HG2 PRO 82 HG2 PRO 82 -5.042 -4.914 -13.158 607 HG3 PRO 82 HG1 PRO 82 -6.617 -4.319 -12.609 608 HD2 PRO 82 HD2 PRO 82 -5.748 -7.107 -13.218 609 HD3 PRO 82 HD1 PRO 82 -6.875 -6.519 -11.975 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 14.343 -4.415 -5.586 2 H2 GLY 1 HT2 GLY 1 12.804 -4.735 -4.950 3 H3 GLY 1 HT3 GLY 1 12.971 -3.733 -6.309 4 HA2 GLY 1 HA1 GLY 1 13.745 -5.558 -7.640 5 HA3 GLY 1 HA2 GLY 1 13.688 -6.605 -6.229 6 HA PRO 2 HA PRO 2 9.885 -8.028 -7.969 7 HB2 PRO 2 HB2 PRO 2 9.422 -8.953 -5.180 8 HB3 PRO 2 HB1 PRO 2 9.366 -9.862 -6.693 9 HG2 PRO 2 HG2 PRO 2 11.427 -10.141 -5.052 10 HG3 PRO 2 HG1 PRO 2 11.678 -10.064 -6.808 11 HD2 PRO 2 HD2 PRO 2 12.100 -7.941 -4.741 12 HD3 PRO 2 HD1 PRO 2 13.100 -8.358 -6.148 13 H GLU 3 HN GLU 3 7.916 -7.246 -8.201 14 HA GLU 3 HA GLU 3 6.990 -5.188 -6.314 15 HB2 GLU 3 HB2 GLU 3 7.272 -4.611 -8.738 16 HB3 GLU 3 HB1 GLU 3 6.020 -5.783 -9.116 17 HG2 GLU 3 HG2 GLU 3 4.397 -4.500 -7.854 18 HG3 GLU 3 HG1 GLU 3 5.648 -3.344 -7.394 19 H HIS 4 HN HIS 4 5.382 -5.651 -4.970 20 HA HIS 4 HA HIS 4 3.600 -7.913 -5.631 21 HB2 HIS 4 HB2 HIS 4 4.328 -6.985 -2.848 22 HB3 HIS 4 HB1 HIS 4 3.441 -8.438 -3.288 23 HD1 HIS 4 HD1 HIS 4 4.919 -10.335 -4.549 24 HD2 HIS 4 HD2 HIS 4 7.027 -7.288 -2.644 25 HE1 HIS 4 HE1 HIS 4 7.256 -11.209 -4.242 26 HE2 HIS 4 HE2 HIS 4 8.484 -9.410 -2.973 27 H ARG 5 HN ARG 5 1.397 -7.590 -5.297 28 HA ARG 5 HA ARG 5 0.626 -4.800 -4.871 29 HB2 ARG 5 HB2 ARG 5 -0.881 -7.178 -5.952 30 HB3 ARG 5 HB1 ARG 5 -1.662 -5.644 -5.579 31 HG2 ARG 5 HG2 ARG 5 -0.131 -4.530 -7.169 32 HG3 ARG 5 HG1 ARG 5 0.535 -6.110 -7.584 33 HD2 ARG 5 HD2 ARG 5 -1.621 -6.850 -8.384 34 HD3 ARG 5 HD1 ARG 5 -2.363 -5.335 -7.872 35 HE ARG 5 HE ARG 5 -0.205 -4.916 -9.703 36 HH11 ARG 5 HH11 ARG 5 -3.599 -5.806 -9.492 37 HH12 ARG 5 HH12 ARG 5 -3.969 -5.233 -11.091 38 HH21 ARG 5 HH21 ARG 5 -0.700 -4.172 -11.797 39 HH22 ARG 5 HH22 ARG 5 -2.321 -4.305 -12.409 40 H ALA 6 HN ALA 6 -1.121 -4.250 -3.471 41 HA ALA 6 HA ALA 6 -2.129 -6.212 -1.612 42 HB1 ALA 6 HB1 ALA 6 -0.415 -3.963 -0.570 43 HB2 ALA 6 HB2 ALA 6 0.059 -5.661 -0.627 44 HB3 ALA 6 HB3 ALA 6 -1.287 -5.154 0.396 45 H VAL 7 HN VAL 7 -3.912 -5.463 -0.449 46 HA VAL 7 HA VAL 7 -4.743 -2.702 -1.024 47 HB VAL 7 HB VAL 7 -7.092 -3.455 -0.841 48 HG11 VAL 7 HG11 VAL 7 -6.047 -3.231 -3.036 49 HG12 VAL 7 HG12 VAL 7 -7.229 -4.540 -3.021 50 HG13 VAL 7 HG13 VAL 7 -5.504 -4.910 -2.954 51 HG21 VAL 7 HG21 VAL 7 -5.887 -6.217 -0.788 52 HG22 VAL 7 HG22 VAL 7 -7.601 -5.855 -0.984 53 HG23 VAL 7 HG23 VAL 7 -6.778 -5.436 0.518 54 H GLY 8 HN GLY 8 -5.662 -1.531 0.678 55 HA2 GLY 8 HA2 GLY 8 -6.308 -2.633 3.198 56 HA3 GLY 8 HA1 GLY 8 -4.653 -2.035 3.230 57 H ARG 9 HN ARG 9 -5.951 -0.756 4.972 58 HA ARG 9 HA ARG 9 -7.186 1.608 3.731 59 HB2 ARG 9 HB2 ARG 9 -8.589 0.323 5.352 60 HB3 ARG 9 HB1 ARG 9 -7.409 0.697 6.602 61 HG2 ARG 9 HG2 ARG 9 -7.837 3.091 6.269 62 HG3 ARG 9 HG1 ARG 9 -9.052 2.690 5.056 63 HD2 ARG 9 HD2 ARG 9 -10.180 3.126 7.110 64 HD3 ARG 9 HD1 ARG 9 -10.268 1.394 6.801 65 HE ARG 9 HE ARG 9 -8.280 2.543 8.650 66 HH11 ARG 9 HH11 ARG 9 -10.803 0.231 7.907 67 HH12 ARG 9 HH12 ARG 9 -10.691 -0.573 9.448 68 HH21 ARG 9 HH21 ARG 9 -8.106 1.480 10.661 69 HH22 ARG 9 HH22 ARG 9 -9.130 0.109 10.993 70 H ILE 10 HN ILE 10 -6.442 3.598 4.141 71 HA ILE 10 HA ILE 10 -3.699 3.826 4.892 72 HB ILE 10 HB ILE 10 -5.674 6.078 4.525 73 HG12 ILE 10 HG12 ILE 10 -5.796 4.709 2.548 74 HG13 ILE 10 HG11 ILE 10 -4.846 6.142 2.171 75 HG21 ILE 10 HG21 ILE 10 -3.570 6.734 5.548 76 HG22 ILE 10 HG22 ILE 10 -3.689 7.375 3.910 77 HG23 ILE 10 HG23 ILE 10 -2.675 5.969 4.236 78 HD11 ILE 10 HD11 ILE 10 -3.762 3.403 2.768 79 HD12 ILE 10 HD12 ILE 10 -2.796 4.838 2.408 80 HD13 ILE 10 HD13 ILE 10 -3.876 4.168 1.183 81 H GLN 11 HN GLN 11 -2.810 4.371 6.769 82 HA GLN 11 HA GLN 11 -4.535 4.854 9.063 83 HB2 GLN 11 HB2 GLN 11 -1.553 4.416 8.808 84 HB3 GLN 11 HB1 GLN 11 -2.376 4.703 10.334 85 HG2 GLN 11 HG2 GLN 11 -2.948 2.404 8.486 86 HG3 GLN 11 HG1 GLN 11 -1.911 2.328 9.911 87 HE21 GLN 11 HE21 GLN 11 -4.347 0.862 9.337 88 HE22 GLN 11 HE22 GLN 11 -5.445 1.227 10.615 89 H SER 12 HN SER 12 -1.938 6.409 7.250 90 HA SER 12 HA SER 12 -2.961 9.004 7.644 91 HB2 SER 12 HB2 SER 12 -1.981 8.540 9.936 92 HB3 SER 12 HB1 SER 12 -0.400 8.465 9.158 93 HG SER 12 HG SER 12 -0.538 10.542 9.732 94 H ILE 13 HN ILE 13 -1.577 10.633 6.647 95 HA ILE 13 HA ILE 13 0.246 9.438 4.668 96 HB ILE 13 HB ILE 13 -1.346 12.003 4.519 97 HG12 ILE 13 HG12 ILE 13 -1.518 9.468 2.886 98 HG13 ILE 13 HG11 ILE 13 -2.619 9.909 4.183 99 HG21 ILE 13 HG21 ILE 13 0.818 12.292 3.438 100 HG22 ILE 13 HG22 ILE 13 -0.477 12.225 2.242 101 HG23 ILE 13 HG23 ILE 13 0.559 10.821 2.500 102 HD11 ILE 13 HD11 ILE 13 -2.216 11.406 1.604 103 HD12 ILE 13 HD12 ILE 13 -3.298 11.889 2.912 104 HD13 ILE 13 HD13 ILE 13 -3.595 10.390 2.028 105 H GLY 14 HN GLY 14 2.298 10.041 4.636 106 HA2 GLY 14 HA2 GLY 14 3.204 12.083 6.520 107 HA3 GLY 14 HA1 GLY 14 4.211 10.896 5.718 108 H GLU 15 HN GLU 15 5.682 12.241 4.837 109 HA GLU 15 HA GLU 15 4.682 14.243 2.913 110 HB2 GLU 15 HB2 GLU 15 7.443 14.200 4.135 111 HB3 GLU 15 HB1 GLU 15 6.691 15.504 3.230 112 HG2 GLU 15 HG2 GLU 15 5.939 14.559 5.986 113 HG3 GLU 15 HG1 GLU 15 6.772 16.054 5.573 114 H ARG 16 HN ARG 16 6.839 11.576 3.525 115 HA ARG 16 HA ARG 16 7.155 11.208 0.638 116 HB2 ARG 16 HB2 ARG 16 9.566 10.345 1.313 117 HB3 ARG 16 HB1 ARG 16 9.263 12.018 0.892 118 HG2 ARG 16 HG2 ARG 16 10.656 12.001 2.814 119 HG3 ARG 16 HG1 ARG 16 9.053 12.508 3.341 120 HD2 ARG 16 HD2 ARG 16 8.607 10.222 4.129 121 HD3 ARG 16 HD1 ARG 16 10.226 9.743 3.616 122 HE ARG 16 HE ARG 16 10.698 11.837 5.275 123 HH11 ARG 16 HH11 ARG 16 8.846 8.875 5.640 124 HH12 ARG 16 HH12 ARG 16 9.140 8.758 7.352 125 HH21 ARG 16 HH21 ARG 16 11.068 11.676 7.523 126 HH22 ARG 16 HH22 ARG 16 10.391 10.344 8.417 127 H SER 17 HN SER 17 6.095 9.975 3.436 128 HA SER 17 HA SER 17 5.793 7.415 2.179 129 HB2 SER 17 HB2 SER 17 6.555 6.184 4.277 130 HB3 SER 17 HB1 SER 17 7.827 6.854 3.260 131 HG SER 17 HG SER 17 7.415 7.284 5.824 132 H LEU 18 HN LEU 18 4.185 6.076 3.382 133 HA LEU 18 HA LEU 18 2.711 7.496 5.435 134 HB2 LEU 18 HB2 LEU 18 0.540 7.141 4.100 135 HB3 LEU 18 HB1 LEU 18 1.560 8.509 3.723 136 HG LEU 18 HG LEU 18 2.528 6.687 1.976 137 HD11 LEU 18 HD11 LEU 18 -0.425 6.144 2.215 138 HD12 LEU 18 HD12 LEU 18 0.879 5.008 2.561 139 HD13 LEU 18 HD13 LEU 18 0.624 5.581 0.914 140 HD21 LEU 18 HD21 LEU 18 1.265 7.906 0.290 141 HD22 LEU 18 HD22 LEU 18 1.916 8.999 1.512 142 HD23 LEU 18 HD23 LEU 18 0.208 8.557 1.541 143 H ILE 19 HN ILE 19 1.115 6.242 6.493 144 HA ILE 19 HA ILE 19 2.037 3.479 6.629 145 HB ILE 19 HB ILE 19 0.179 4.879 8.552 146 HG12 ILE 19 HG12 ILE 19 3.202 4.727 8.636 147 HG13 ILE 19 HG11 ILE 19 2.258 6.182 8.349 148 HG21 ILE 19 HG21 ILE 19 1.995 2.493 8.847 149 HG22 ILE 19 HG22 ILE 19 0.238 2.457 8.718 150 HG23 ILE 19 HG23 ILE 19 1.003 3.192 10.126 151 HD11 ILE 19 HD11 ILE 19 2.281 4.553 10.878 152 HD12 ILE 19 HD12 ILE 19 1.316 6.002 10.597 153 HD13 ILE 19 HD13 ILE 19 3.076 6.106 10.626 154 H ILE 20 HN ILE 20 0.824 1.779 6.041 155 HA ILE 20 HA ILE 20 -2.054 2.215 5.570 156 HB ILE 20 HB ILE 20 -0.185 0.669 3.758 157 HG12 ILE 20 HG12 ILE 20 -1.725 3.220 3.223 158 HG13 ILE 20 HG11 ILE 20 -0.005 3.158 3.589 159 HG21 ILE 20 HG21 ILE 20 -2.138 0.377 2.317 160 HG22 ILE 20 HG22 ILE 20 -3.144 1.202 3.506 161 HG23 ILE 20 HG23 ILE 20 -2.403 -0.346 3.904 162 HD11 ILE 20 HD11 ILE 20 0.357 1.826 1.558 163 HD12 ILE 20 HD12 ILE 20 -0.375 3.395 1.209 164 HD13 ILE 20 HD13 ILE 20 -1.368 1.935 1.196 165 H ALA 21 HN ALA 21 -3.315 0.764 6.523 166 HA ALA 21 HA ALA 21 -2.185 -1.666 7.655 167 HB1 ALA 21 HB1 ALA 21 -3.838 -0.389 8.944 168 HB2 ALA 21 HB2 ALA 21 -4.385 -2.032 8.609 169 HB3 ALA 21 HB3 ALA 21 -5.033 -0.681 7.679 170 H HIS 22 HN HIS 22 -1.683 -2.993 5.995 171 HA HIS 22 HA HIS 22 -3.612 -3.434 3.851 172 HB2 HIS 22 HB2 HIS 22 -1.775 -4.738 2.792 173 HB3 HIS 22 HB1 HIS 22 -1.312 -3.080 3.162 174 HD1 HIS 22 HD1 HIS 22 -0.928 -6.561 4.663 175 HD2 HIS 22 HD2 HIS 22 0.986 -2.865 4.574 176 HE1 HIS 22 HE1 HIS 22 1.242 -6.888 5.893 177 HE2 HIS 22 HE2 HIS 22 2.283 -4.597 5.984 178 H GLU 23 HN GLU 23 -4.290 -5.538 3.245 179 HA GLU 23 HA GLU 23 -4.957 -7.261 5.396 180 HB2 GLU 23 HB2 GLU 23 -6.042 -8.634 3.771 181 HB3 GLU 23 HB1 GLU 23 -6.284 -6.961 3.298 182 HG2 GLU 23 HG2 GLU 23 -4.820 -7.108 1.510 183 HG3 GLU 23 HG1 GLU 23 -4.065 -8.579 2.126 184 H ALA 24 HN ALA 24 -4.646 -9.821 4.519 185 HA ALA 24 HA ALA 24 -1.920 -10.374 5.210 186 HB1 ALA 24 HB1 ALA 24 -4.020 -12.292 4.259 187 HB2 ALA 24 HB2 ALA 24 -3.817 -11.783 5.938 188 HB3 ALA 24 HB3 ALA 24 -2.534 -12.681 5.120 189 H ILE 25 HN ILE 25 -1.133 -9.171 3.303 190 HA ILE 25 HA ILE 25 -1.205 -9.842 0.671 191 HB ILE 25 HB ILE 25 1.339 -9.243 2.178 192 HG12 ILE 25 HG12 ILE 25 -0.684 -7.297 1.045 193 HG13 ILE 25 HG11 ILE 25 -0.459 -7.642 2.760 194 HG21 ILE 25 HG21 ILE 25 1.663 -9.914 -0.129 195 HG22 ILE 25 HG22 ILE 25 2.005 -8.192 0.052 196 HG23 ILE 25 HG23 ILE 25 0.483 -8.721 -0.668 197 HD11 ILE 25 HD11 ILE 25 1.623 -6.470 0.928 198 HD12 ILE 25 HD12 ILE 25 1.801 -6.766 2.657 199 HD13 ILE 25 HD13 ILE 25 0.643 -5.567 2.083 200 HA PRO 26 HA PRO 26 0.432 -14.096 1.007 201 HB2 PRO 26 HB2 PRO 26 -0.752 -14.369 -1.660 202 HB3 PRO 26 HB1 PRO 26 -1.102 -15.277 -0.186 203 HG2 PRO 26 HG2 PRO 26 -2.867 -13.536 -1.234 204 HG3 PRO 26 HG1 PRO 26 -2.707 -13.772 0.518 205 HD2 PRO 26 HD2 PRO 26 -1.587 -11.582 -1.188 206 HD3 PRO 26 HD1 PRO 26 -2.388 -11.480 0.388 207 H SER 27 HN SER 27 0.761 -11.578 -1.289 208 HA SER 27 HA SER 27 2.653 -12.765 -3.027 209 HB2 SER 27 HB2 SER 27 2.205 -9.835 -2.424 210 HB3 SER 27 HB1 SER 27 2.977 -10.503 -3.864 211 HG SER 27 HG SER 27 0.802 -11.696 -4.010 212 H ALA 28 HN ALA 28 2.957 -10.781 -0.105 213 HA ALA 28 HA ALA 28 5.878 -11.126 -0.242 214 HB1 ALA 28 HB1 ALA 28 6.088 -9.133 1.106 215 HB2 ALA 28 HB2 ALA 28 4.337 -9.028 1.278 216 HB3 ALA 28 HB3 ALA 28 5.082 -8.791 -0.302 217 H GLN 29 HN GLN 29 3.312 -12.495 1.140 218 HA GLN 29 HA GLN 29 2.965 -13.875 2.897 219 HB2 GLN 29 HB2 GLN 29 5.936 -13.544 3.263 220 HB3 GLN 29 HB1 GLN 29 4.960 -14.606 4.258 221 HG2 GLN 29 HG2 GLN 29 5.923 -16.008 2.665 222 HG3 GLN 29 HG1 GLN 29 4.280 -15.748 2.088 223 HE21 GLN 29 HE21 GLN 29 3.947 -14.706 0.173 224 HE22 GLN 29 HE22 GLN 29 5.223 -14.240 -0.896 225 H TRP 30 HN TRP 30 2.684 -10.999 3.136 226 HA TRP 30 HA TRP 30 3.415 -10.454 5.909 227 HB2 TRP 30 HB2 TRP 30 2.281 -8.729 3.710 228 HB3 TRP 30 HB1 TRP 30 2.379 -8.181 5.379 229 HD1 TRP 30 HD1 TRP 30 5.380 -10.177 4.822 230 HE1 TRP 30 HE1 TRP 30 7.403 -8.684 4.263 231 HE3 TRP 30 HE3 TRP 30 2.912 -5.823 3.790 232 HZ2 TRP 30 HZ2 TRP 30 7.881 -6.016 3.492 233 HZ3 TRP 30 HZ3 TRP 30 4.227 -3.847 3.152 234 HH2 TRP 30 HH2 TRP 30 6.656 -3.946 3.009 235 H GLY 31 HN GLY 31 2.074 -11.110 7.421 236 HA2 GLY 31 HA2 GLY 31 -0.618 -11.925 6.708 237 HA3 GLY 31 HA1 GLY 31 0.207 -12.241 8.225 238 H ALA 32 HN ALA 32 -0.989 -9.453 6.385 239 HA ALA 32 HA ALA 32 -2.234 -7.648 6.940 240 HB1 ALA 32 HB1 ALA 32 -3.897 -9.403 7.385 241 HB2 ALA 32 HB2 ALA 32 -4.117 -7.985 8.413 242 HB3 ALA 32 HB3 ALA 32 -3.377 -9.445 9.071 243 H MET 33 HN MET 33 -0.703 -6.205 7.624 244 HA MET 33 HA MET 33 -0.774 -5.569 10.423 245 HB2 MET 33 HB2 MET 33 1.690 -5.472 10.678 246 HB3 MET 33 HB1 MET 33 1.073 -7.105 10.483 247 HG2 MET 33 HG2 MET 33 1.772 -7.132 8.175 248 HG3 MET 33 HG1 MET 33 2.314 -5.459 8.294 249 HE1 MET 33 HE1 MET 33 4.144 -7.881 7.227 250 HE2 MET 33 HE2 MET 33 5.673 -7.510 8.020 251 HE3 MET 33 HE3 MET 33 4.708 -6.215 7.314 252 H THR 34 HN THR 34 -0.152 -3.512 10.916 253 HA THR 34 HA THR 34 -0.492 -1.606 8.819 254 HB THR 34 HB THR 34 0.324 -1.135 11.695 255 HG1 THR 34 HG1 THR 34 -1.640 -1.725 12.200 256 HG21 THR 34 HG21 THR 34 0.552 0.814 10.228 257 HG22 THR 34 HG22 THR 34 -0.760 1.033 11.386 258 HG23 THR 34 HG23 THR 34 -1.122 0.620 9.709 259 H MET 35 HN MET 35 1.114 -1.175 7.455 260 HA MET 35 HA MET 35 3.839 -0.836 8.534 261 HB2 MET 35 HB2 MET 35 3.700 -2.975 7.346 262 HB3 MET 35 HB1 MET 35 3.082 -2.162 5.922 263 HG2 MET 35 HG2 MET 35 5.413 -2.685 5.626 264 HG3 MET 35 HG1 MET 35 5.200 -0.937 5.713 265 HE1 MET 35 HE1 MET 35 6.640 -3.428 9.312 266 HE2 MET 35 HE2 MET 35 6.343 -4.158 7.735 267 HE3 MET 35 HE3 MET 35 5.007 -3.452 8.642 268 H GLU 36 HN GLU 36 5.111 0.769 7.556 269 HA GLU 36 HA GLU 36 3.589 2.786 6.088 270 HB2 GLU 36 HB2 GLU 36 4.900 3.401 8.136 271 HB3 GLU 36 HB1 GLU 36 6.370 2.999 7.261 272 HG2 GLU 36 HG2 GLU 36 5.902 4.750 5.640 273 HG3 GLU 36 HG1 GLU 36 4.399 5.132 6.475 274 H PHE 37 HN PHE 37 3.975 3.316 4.017 275 HA PHE 37 HA PHE 37 6.112 1.834 2.621 276 HB2 PHE 37 HB2 PHE 37 3.447 2.818 1.580 277 HB3 PHE 37 HB1 PHE 37 4.688 2.060 0.587 278 HD1 PHE 37 HD2 PHE 37 5.126 -0.319 0.754 279 HD2 PHE 37 HD1 PHE 37 2.116 1.528 3.124 280 HE1 PHE 37 HE2 PHE 37 4.194 -2.531 1.286 281 HE2 PHE 37 HE1 PHE 37 1.178 -0.683 3.659 282 HZ PHE 37 HZ PHE 37 2.213 -2.714 2.733 283 H ALA 38 HN ALA 38 7.431 2.914 1.185 284 HA ALA 38 HA ALA 38 7.678 5.758 1.627 285 HB1 ALA 38 HB1 ALA 38 9.672 4.348 1.561 286 HB2 ALA 38 HB2 ALA 38 9.722 5.575 0.294 287 HB3 ALA 38 HB3 ALA 38 9.314 3.908 -0.109 288 H ALA 39 HN ALA 39 7.400 7.386 0.143 289 HA ALA 39 HA ALA 39 5.482 6.882 -1.934 290 HB1 ALA 39 HB1 ALA 39 6.934 9.416 -1.178 291 HB2 ALA 39 HB2 ALA 39 5.358 8.901 -0.580 292 HB3 ALA 39 HB3 ALA 39 5.564 9.308 -2.284 293 HA PRO 40 HA PRO 40 8.274 6.416 -5.365 294 HB2 PRO 40 HB2 PRO 40 6.536 7.180 -7.335 295 HB3 PRO 40 HB1 PRO 40 6.510 5.583 -6.578 296 HG2 PRO 40 HG2 PRO 40 4.807 7.976 -6.011 297 HG3 PRO 40 HG1 PRO 40 4.336 6.272 -6.138 298 HD2 PRO 40 HD2 PRO 40 4.663 7.488 -3.758 299 HD3 PRO 40 HD1 PRO 40 5.074 5.776 -4.006 300 HA PRO 41 HA PRO 41 10.005 10.382 -6.113 301 HB2 PRO 41 HB2 PRO 41 10.451 9.649 -8.938 302 HB3 PRO 41 HB1 PRO 41 11.622 10.054 -7.682 303 HG2 PRO 41 HG2 PRO 41 11.335 7.544 -8.556 304 HG3 PRO 41 HG1 PRO 41 11.677 7.900 -6.852 305 HD2 PRO 41 HD2 PRO 41 9.085 7.155 -8.149 306 HD3 PRO 41 HD1 PRO 41 9.759 6.629 -6.592 307 H ALA 42 HN ALA 42 7.339 9.321 -7.984 308 HA ALA 42 HA ALA 42 7.009 11.788 -9.446 309 HB1 ALA 42 HB1 ALA 42 4.999 10.772 -10.343 310 HB2 ALA 42 HB2 ALA 42 5.116 9.456 -9.173 311 HB3 ALA 42 HB3 ALA 42 6.346 9.634 -10.427 312 H GLY 43 HN GLY 43 6.210 10.674 -6.335 313 HA2 GLY 43 HA2 GLY 43 5.358 12.113 -4.670 314 HA3 GLY 43 HA1 GLY 43 4.553 13.045 -5.920 315 H LEU 44 HN LEU 44 3.045 12.546 -3.864 316 HA LEU 44 HA LEU 44 1.586 10.056 -4.274 317 HB2 LEU 44 HB2 LEU 44 1.246 12.186 -2.168 318 HB3 LEU 44 HB1 LEU 44 0.289 10.727 -2.265 319 HG LEU 44 HG LEU 44 1.835 10.278 -0.590 320 HD11 LEU 44 HD11 LEU 44 3.007 9.156 -3.126 321 HD12 LEU 44 HD12 LEU 44 1.699 8.458 -2.172 322 HD13 LEU 44 HD13 LEU 44 3.325 8.560 -1.497 323 HD21 LEU 44 HD21 LEU 44 4.201 10.764 -0.680 324 HD22 LEU 44 HD22 LEU 44 3.275 12.232 -0.996 325 HD23 LEU 44 HD23 LEU 44 4.043 11.371 -2.329 326 HA PRO 45 HA PRO 45 -1.785 12.203 -6.312 327 HB2 PRO 45 HB2 PRO 45 -3.450 10.084 -6.450 328 HB3 PRO 45 HB1 PRO 45 -2.069 10.277 -7.537 329 HG2 PRO 45 HG2 PRO 45 -2.408 8.481 -5.201 330 HG3 PRO 45 HG1 PRO 45 -1.455 8.247 -6.674 331 HD2 PRO 45 HD2 PRO 45 -0.461 9.022 -4.168 332 HD3 PRO 45 HD1 PRO 45 0.402 9.131 -5.711 333 H GLN 46 HN GLN 46 -4.353 11.760 -5.928 334 HA GLN 46 HA GLN 46 -4.793 12.158 -3.056 335 HB2 GLN 46 HB2 GLN 46 -6.833 13.389 -3.693 336 HB3 GLN 46 HB1 GLN 46 -5.375 14.123 -4.337 337 HG2 GLN 46 HG2 GLN 46 -7.145 12.311 -5.956 338 HG3 GLN 46 HG1 GLN 46 -7.378 14.053 -5.870 339 HE21 GLN 46 HE21 GLN 46 -5.583 11.481 -7.254 340 HE22 GLN 46 HE22 GLN 46 -4.536 12.445 -8.247 341 H GLY 47 HN GLY 47 -6.835 11.354 -2.194 342 HA2 GLY 47 HA2 GLY 47 -8.711 9.899 -2.271 343 HA3 GLY 47 HA1 GLY 47 -8.030 9.139 -3.702 344 H LEU 48 HN LEU 48 -5.736 9.643 -1.278 345 HA LEU 48 HA LEU 48 -6.057 6.916 -0.270 346 HB2 LEU 48 HB2 LEU 48 -3.470 6.915 -0.318 347 HB3 LEU 48 HB1 LEU 48 -4.361 6.593 -1.783 348 HG LEU 48 HG LEU 48 -3.925 8.848 -2.596 349 HD11 LEU 48 HD11 LEU 48 -2.422 10.368 -1.438 350 HD12 LEU 48 HD12 LEU 48 -2.346 9.266 -0.062 351 HD13 LEU 48 HD13 LEU 48 -3.867 10.059 -0.475 352 HD21 LEU 48 HD21 LEU 48 -1.459 7.439 -1.605 353 HD22 LEU 48 HD22 LEU 48 -1.503 8.655 -2.883 354 HD23 LEU 48 HD23 LEU 48 -2.328 7.111 -3.107 355 H LYS 49 HN LYS 49 -7.033 8.937 1.238 356 HA LYS 49 HA LYS 49 -4.900 9.885 3.000 357 HB2 LYS 49 HB2 LYS 49 -7.791 10.660 2.714 358 HB3 LYS 49 HB1 LYS 49 -6.797 11.213 4.051 359 HG2 LYS 49 HG2 LYS 49 -5.230 12.177 2.338 360 HG3 LYS 49 HG1 LYS 49 -6.474 11.823 1.132 361 HD2 LYS 49 HD2 LYS 49 -8.082 13.142 2.461 362 HD3 LYS 49 HD1 LYS 49 -6.783 13.548 3.584 363 HE2 LYS 49 HE2 LYS 49 -5.601 14.747 1.889 364 HE3 LYS 49 HE1 LYS 49 -6.699 14.169 0.634 365 HZ1 LYS 49 HZ1 LYS 49 -7.260 16.412 1.214 366 HZ2 LYS 49 HZ2 LYS 49 -7.372 16.017 2.863 367 HZ3 LYS 49 HZ3 LYS 49 -8.495 15.386 1.760 368 H ALA 50 HN ALA 50 -5.495 10.063 5.335 369 HA ALA 50 HA ALA 50 -5.669 7.645 6.611 370 HB1 ALA 50 HB1 ALA 50 -6.274 8.975 8.622 371 HB2 ALA 50 HB2 ALA 50 -6.534 10.373 7.572 372 HB3 ALA 50 HB3 ALA 50 -4.927 9.657 7.710 373 H GLY 51 HN GLY 51 -7.240 6.192 6.307 374 HA2 GLY 51 HA2 GLY 51 -9.403 5.535 7.235 375 HA3 GLY 51 HA1 GLY 51 -10.019 7.100 6.726 376 H ASP 52 HN ASP 52 -8.267 6.599 4.193 377 HA ASP 52 HA ASP 52 -10.445 5.400 2.691 378 HB2 ASP 52 HB2 ASP 52 -7.879 6.776 1.904 379 HB3 ASP 52 HB1 ASP 52 -8.873 5.932 0.723 380 H ARG 53 HN ARG 53 -10.303 3.503 1.521 381 HA ARG 53 HA ARG 53 -7.937 1.868 2.082 382 HB2 ARG 53 HB2 ARG 53 -9.834 0.789 2.966 383 HB3 ARG 53 HB1 ARG 53 -10.807 1.178 1.559 384 HG2 ARG 53 HG2 ARG 53 -9.755 -0.455 0.243 385 HG3 ARG 53 HG1 ARG 53 -8.434 -0.637 1.396 386 HD2 ARG 53 HD2 ARG 53 -9.882 -1.691 2.988 387 HD3 ARG 53 HD1 ARG 53 -11.302 -1.330 2.006 388 HE ARG 53 HE ARG 53 -10.249 -2.856 0.308 389 HH11 ARG 53 HH11 ARG 53 -9.633 -3.225 3.741 390 HH12 ARG 53 HH12 ARG 53 -9.307 -4.927 3.618 391 HH21 ARG 53 HH21 ARG 53 -9.817 -5.079 0.151 392 HH22 ARG 53 HH22 ARG 53 -9.411 -5.990 1.586 393 H VAL 54 HN VAL 54 -6.591 1.600 0.470 394 HA VAL 54 HA VAL 54 -7.553 2.118 -2.264 395 HB VAL 54 HB VAL 54 -5.101 2.827 -2.686 396 HG11 VAL 54 HG11 VAL 54 -6.847 4.512 -0.884 397 HG12 VAL 54 HG12 VAL 54 -6.991 4.387 -2.637 398 HG13 VAL 54 HG13 VAL 54 -5.547 5.100 -1.920 399 HG21 VAL 54 HG21 VAL 54 -5.192 3.098 0.321 400 HG22 VAL 54 HG22 VAL 54 -3.889 3.629 -0.745 401 HG23 VAL 54 HG23 VAL 54 -4.235 1.910 -0.566 402 H ALA 55 HN ALA 55 -6.374 1.078 -3.981 403 HA ALA 55 HA ALA 55 -5.251 -1.536 -3.194 404 HB1 ALA 55 HB1 ALA 55 -6.506 -0.728 -5.826 405 HB2 ALA 55 HB2 ALA 55 -7.318 -1.636 -4.549 406 HB3 ALA 55 HB3 ALA 55 -5.933 -2.341 -5.390 407 H PHE 56 HN PHE 56 -3.088 -1.739 -3.500 408 HA PHE 56 HA PHE 56 -1.813 0.095 -5.405 409 HB2 PHE 56 HB2 PHE 56 -0.108 0.673 -3.682 410 HB3 PHE 56 HB1 PHE 56 -1.719 1.278 -3.329 411 HD1 PHE 56 HD1 PHE 56 -3.070 0.236 -1.537 412 HD2 PHE 56 HD2 PHE 56 0.971 -0.901 -2.251 413 HE1 PHE 56 HE1 PHE 56 -2.979 -0.813 0.686 414 HE2 PHE 56 HE2 PHE 56 1.069 -1.952 -0.029 415 HZ PHE 56 HZ PHE 56 -0.906 -1.912 1.440 416 H SER 57 HN SER 57 0.487 -0.336 -5.744 417 HA SER 57 HA SER 57 1.294 -3.085 -5.092 418 HB2 SER 57 HB2 SER 57 2.456 -3.124 -7.334 419 HB3 SER 57 HB1 SER 57 0.697 -3.138 -7.415 420 HG SER 57 HG SER 57 1.669 -1.645 -8.886 421 H PHE 58 HN PHE 58 3.409 -3.338 -4.482 422 HA PHE 58 HA PHE 58 5.111 -0.955 -4.447 423 HB2 PHE 58 HB2 PHE 58 5.622 -1.289 -2.070 424 HB3 PHE 58 HB1 PHE 58 3.909 -0.958 -2.310 425 HD1 PHE 58 HD1 PHE 58 2.287 -2.894 -2.243 426 HD2 PHE 58 HD2 PHE 58 6.339 -3.240 -1.006 427 HE1 PHE 58 HE1 PHE 58 1.730 -4.945 -1.008 428 HE2 PHE 58 HE2 PHE 58 5.797 -5.296 0.233 429 HZ PHE 58 HZ PHE 58 3.485 -6.151 0.224 430 H ARG 59 HN ARG 59 7.348 -1.402 -4.169 431 HA ARG 59 HA ARG 59 8.016 -4.189 -4.839 432 HB2 ARG 59 HB2 ARG 59 9.461 -1.635 -5.557 433 HB3 ARG 59 HB1 ARG 59 10.111 -3.244 -5.843 434 HG2 ARG 59 HG2 ARG 59 8.084 -3.737 -7.204 435 HG3 ARG 59 HG1 ARG 59 7.627 -2.043 -7.036 436 HD2 ARG 59 HD2 ARG 59 9.686 -1.370 -8.146 437 HD3 ARG 59 HD1 ARG 59 10.178 -3.060 -8.277 438 HE ARG 59 HE ARG 59 7.662 -2.160 -9.523 439 HH11 ARG 59 HH11 ARG 59 10.887 -3.513 -9.818 440 HH12 ARG 59 HH12 ARG 59 10.678 -3.966 -11.483 441 HH21 ARG 59 HH21 ARG 59 7.381 -2.766 -11.689 442 HH22 ARG 59 HH22 ARG 59 8.661 -3.586 -12.537 443 H LEU 60 HN LEU 60 9.499 -5.278 -3.718 444 HA LEU 60 HA LEU 60 10.455 -4.023 -1.240 445 HB2 LEU 60 HB2 LEU 60 9.778 -6.823 -2.028 446 HB3 LEU 60 HB1 LEU 60 10.986 -6.581 -0.784 447 HG LEU 60 HG LEU 60 8.287 -6.823 -0.363 448 HD11 LEU 60 HD11 LEU 60 10.283 -5.376 1.367 449 HD12 LEU 60 HD12 LEU 60 10.062 -7.126 1.287 450 HD13 LEU 60 HD13 LEU 60 8.763 -6.099 1.902 451 HD21 LEU 60 HD21 LEU 60 8.996 -3.904 -0.216 452 HD22 LEU 60 HD22 LEU 60 7.547 -4.643 0.472 453 HD23 LEU 60 HD23 LEU 60 7.795 -4.645 -1.277 454 H ASP 61 HN ASP 61 12.597 -4.058 -0.678 455 HA ASP 61 HA ASP 61 14.465 -4.900 -2.768 456 HB2 ASP 61 HB2 ASP 61 16.105 -3.513 -1.797 457 HB3 ASP 61 HB1 ASP 61 14.630 -2.578 -1.709 458 HA PRO 62 HA PRO 62 15.960 -8.440 -0.677 459 HB2 PRO 62 HB2 PRO 62 18.707 -7.371 -0.494 460 HB3 PRO 62 HB1 PRO 62 18.107 -8.791 -1.358 461 HG2 PRO 62 HG2 PRO 62 18.854 -6.587 -2.669 462 HG3 PRO 62 HG1 PRO 62 17.473 -7.559 -3.207 463 HD2 PRO 62 HD2 PRO 62 17.492 -4.981 -1.682 464 HD3 PRO 62 HD1 PRO 62 16.442 -5.483 -3.022 465 H HIS 63 HN HIS 63 16.403 -5.403 0.841 466 HA HIS 63 HA HIS 63 17.472 -6.509 3.301 467 HB2 HIS 63 HB2 HIS 63 16.581 -3.717 2.566 468 HB3 HIS 63 HB1 HIS 63 17.201 -4.163 4.148 469 HD1 HIS 63 HD1 HIS 63 19.722 -4.462 4.393 470 HD2 HIS 63 HD2 HIS 63 18.514 -3.637 0.500 471 HE1 HIS 63 HE1 HIS 63 21.824 -3.902 3.136 472 HE2 HIS 63 HE2 HIS 63 21.053 -3.246 0.827 473 H GLY 64 HN GLY 64 14.428 -5.653 1.897 474 HA2 GLY 64 HA2 GLY 64 12.409 -6.629 2.807 475 HA3 GLY 64 HA1 GLY 64 13.103 -6.462 4.414 476 H MET 65 HN MET 65 13.413 -3.911 2.101 477 HA MET 65 HA MET 65 11.663 -2.220 3.731 478 HB2 MET 65 HB2 MET 65 13.640 -1.523 1.545 479 HB3 MET 65 HB1 MET 65 12.672 -0.352 2.434 480 HG2 MET 65 HG2 MET 65 14.612 -2.243 3.723 481 HG3 MET 65 HG1 MET 65 15.014 -0.597 3.239 482 HE1 MET 65 HE1 MET 65 14.750 -0.619 7.213 483 HE2 MET 65 HE2 MET 65 15.830 -0.338 5.848 484 HE3 MET 65 HE3 MET 65 15.251 -1.967 6.194 485 H ALA 66 HN ALA 66 10.135 -0.789 2.636 486 HA ALA 66 HA ALA 66 8.943 -2.201 0.348 487 HB1 ALA 66 HB1 ALA 66 7.766 -2.714 2.438 488 HB2 ALA 66 HB2 ALA 66 6.743 -1.815 1.317 489 HB3 ALA 66 HB3 ALA 66 7.477 -0.995 2.695 490 H THR 67 HN THR 67 8.746 -0.951 -1.359 491 HA THR 67 HA THR 67 8.450 1.953 -0.924 492 HB THR 67 HB THR 67 9.677 0.909 -3.435 493 HG1 THR 67 HG1 THR 67 10.671 0.016 -1.335 494 HG21 THR 67 HG21 THR 67 10.914 3.020 -3.256 495 HG22 THR 67 HG22 THR 67 10.145 3.330 -1.700 496 HG23 THR 67 HG23 THR 67 9.172 3.290 -3.170 497 H LEU 68 HN LEU 68 6.686 2.851 -1.770 498 HA LEU 68 HA LEU 68 4.768 1.197 -3.118 499 HB2 LEU 68 HB2 LEU 68 4.121 2.864 -1.441 500 HB3 LEU 68 HB1 LEU 68 4.743 4.143 -2.464 501 HG LEU 68 HG LEU 68 3.019 3.611 -4.150 502 HD11 LEU 68 HD11 LEU 68 2.029 1.675 -2.062 503 HD12 LEU 68 HD12 LEU 68 2.706 1.252 -3.636 504 HD13 LEU 68 HD13 LEU 68 1.173 2.122 -3.539 505 HD21 LEU 68 HD21 LEU 68 1.126 4.503 -2.888 506 HD22 LEU 68 HD22 LEU 68 2.624 5.340 -2.474 507 HD23 LEU 68 HD23 LEU 68 1.957 4.130 -1.377 508 H VAL 69 HN VAL 69 4.252 1.143 -5.223 509 HA VAL 69 HA VAL 69 5.876 2.784 -7.045 510 HB VAL 69 HB VAL 69 4.334 0.267 -7.701 511 HG11 VAL 69 HG11 VAL 69 5.721 0.217 -9.709 512 HG12 VAL 69 HG12 VAL 69 6.504 1.719 -9.213 513 HG13 VAL 69 HG13 VAL 69 4.787 1.710 -9.618 514 HG21 VAL 69 HG21 VAL 69 7.262 0.576 -7.048 515 HG22 VAL 69 HG22 VAL 69 6.491 -0.895 -7.641 516 HG23 VAL 69 HG23 VAL 69 6.053 -0.247 -6.058 517 H THR 70 HN THR 70 2.613 1.402 -6.762 518 HA THR 70 HA THR 70 1.470 3.839 -7.876 519 HB THR 70 HB THR 70 0.003 2.102 -9.304 520 HG1 THR 70 HG1 THR 70 1.442 0.355 -8.561 521 HG21 THR 70 HG21 THR 70 1.094 4.069 -10.219 522 HG22 THR 70 HG22 THR 70 1.410 2.672 -11.249 523 HG23 THR 70 HG23 THR 70 2.658 3.261 -10.151 524 H VAL 71 HN VAL 71 -0.609 4.226 -7.191 525 HA VAL 71 HA VAL 71 -1.981 2.105 -5.709 526 HB VAL 71 HB VAL 71 -0.751 3.460 -4.037 527 HG11 VAL 71 HG11 VAL 71 -0.746 5.585 -5.264 528 HG12 VAL 71 HG12 VAL 71 -1.346 5.760 -3.615 529 HG13 VAL 71 HG13 VAL 71 -2.478 5.737 -4.965 530 HG21 VAL 71 HG21 VAL 71 -3.749 3.758 -3.977 531 HG22 VAL 71 HG22 VAL 71 -2.687 4.007 -2.591 532 HG23 VAL 71 HG23 VAL 71 -2.805 2.412 -3.341 533 H ALA 72 HN ALA 72 -4.137 2.082 -6.013 534 HA ALA 72 HA ALA 72 -5.332 4.366 -7.446 535 HB1 ALA 72 HB1 ALA 72 -6.839 2.764 -8.535 536 HB2 ALA 72 HB2 ALA 72 -6.028 1.435 -7.708 537 HB3 ALA 72 HB3 ALA 72 -5.151 2.403 -8.892 538 HA PRO 73 HA PRO 73 -7.924 4.682 -3.815 539 HB2 PRO 73 HB2 PRO 73 -9.566 6.290 -5.694 540 HB3 PRO 73 HB1 PRO 73 -8.942 6.708 -4.094 541 HG2 PRO 73 HG2 PRO 73 -7.856 7.746 -6.298 542 HG3 PRO 73 HG1 PRO 73 -6.846 7.274 -4.917 543 HD2 PRO 73 HD2 PRO 73 -7.305 5.843 -7.510 544 HD3 PRO 73 HD1 PRO 73 -5.805 6.033 -6.577 545 H GLN 74 HN GLN 74 -8.862 2.756 -3.553 546 HA GLN 74 HA GLN 74 -10.984 1.961 -5.406 547 HB2 GLN 74 HB2 GLN 74 -10.705 -0.285 -4.737 548 HB3 GLN 74 HB1 GLN 74 -9.086 0.353 -4.978 549 HG2 GLN 74 HG2 GLN 74 -8.651 0.439 -2.689 550 HG3 GLN 74 HG1 GLN 74 -10.360 0.301 -2.274 551 HE21 GLN 74 HE21 GLN 74 -8.128 -1.307 -1.368 552 HE22 GLN 74 HE22 GLN 74 -8.511 -2.930 -1.819 553 H VAL 75 HN VAL 75 -12.544 0.380 -3.966 554 HA VAL 75 HA VAL 75 -13.559 2.210 -1.917 555 HB VAL 75 HB VAL 75 -15.896 1.616 -2.798 556 HG11 VAL 75 HG11 VAL 75 -15.817 3.469 -4.397 557 HG12 VAL 75 HG12 VAL 75 -14.058 3.350 -4.448 558 HG13 VAL 75 HG13 VAL 75 -14.867 3.831 -2.957 559 HG21 VAL 75 HG21 VAL 75 -16.012 1.133 -5.204 560 HG22 VAL 75 HG22 VAL 75 -15.225 -0.178 -4.323 561 HG23 VAL 75 HG23 VAL 75 -14.256 0.964 -5.254 562 H GLN 76 HN GLN 76 -12.778 0.892 -0.364 563 HA GLN 76 HA GLN 76 -12.629 -0.841 1.056 564 HB2 GLN 76 HB2 GLN 76 -15.557 -1.078 0.420 565 HB3 GLN 76 HB1 GLN 76 -14.763 -1.743 1.842 566 HG2 GLN 76 HG2 GLN 76 -14.152 0.539 2.533 567 HG3 GLN 76 HG1 GLN 76 -15.024 1.173 1.139 568 HE21 GLN 76 HE21 GLN 76 -16.102 -1.581 2.995 569 HE22 GLN 76 HE22 GLN 76 -17.473 -0.799 3.716 570 H THR 77 HN THR 77 -15.128 -2.752 -0.070 571 HA THR 77 HA THR 77 -13.425 -4.932 -0.569 572 HB THR 77 HB THR 77 -15.465 -5.647 0.208 573 HG1 THR 77 HG1 THR 77 -15.212 -7.057 -1.413 574 HG21 THR 77 HG21 THR 77 -16.853 -3.856 -1.779 575 HG22 THR 77 HG22 THR 77 -16.663 -3.542 -0.055 576 HG23 THR 77 HG23 THR 77 -17.642 -4.903 -0.600 577 H ALA 78 HN ALA 78 -15.314 -2.895 -2.656 578 HA ALA 78 HA ALA 78 -15.177 -2.313 -4.838 579 HB1 ALA 78 HB1 ALA 78 -12.350 -3.343 -4.662 580 HB2 ALA 78 HB2 ALA 78 -12.881 -1.720 -4.224 581 HB3 ALA 78 HB3 ALA 78 -13.003 -2.265 -5.895 582 H GLY 79 HN GLY 79 -15.397 -5.397 -3.933 583 HA2 GLY 79 HA2 GLY 79 -14.858 -6.734 -6.421 584 HA3 GLY 79 HA1 GLY 79 -15.728 -7.404 -5.043 585 H ALA 80 HN ALA 80 -17.944 -6.478 -4.696 586 HA ALA 80 HA ALA 80 -19.251 -5.912 -7.281 587 HB1 ALA 80 HB1 ALA 80 -19.938 -8.050 -6.292 588 HB2 ALA 80 HB2 ALA 80 -21.276 -6.902 -6.337 589 HB3 ALA 80 HB3 ALA 80 -20.430 -7.211 -4.822 590 H LYS 81 HN LYS 81 -19.335 -5.288 -3.810 591 HA LYS 81 HA LYS 81 -20.875 -2.840 -4.217 592 HB2 LYS 81 HB2 LYS 81 -21.648 -4.207 -2.396 593 HB3 LYS 81 HB1 LYS 81 -20.024 -4.367 -1.747 594 HG2 LYS 81 HG2 LYS 81 -20.090 -1.842 -1.408 595 HG3 LYS 81 HG1 LYS 81 -21.823 -1.968 -1.706 596 HD2 LYS 81 HD2 LYS 81 -22.109 -3.413 0.175 597 HD3 LYS 81 HD1 LYS 81 -20.364 -3.554 0.399 598 HE2 LYS 81 HE2 LYS 81 -21.978 -1.020 0.690 599 HE3 LYS 81 HE1 LYS 81 -21.383 -2.013 2.017 600 HZ1 LYS 81 HZ1 LYS 81 -19.103 -1.568 1.194 601 HZ2 LYS 81 HZ2 LYS 81 -19.910 -0.176 1.713 602 HZ3 LYS 81 HZ3 LYS 81 -19.741 -0.488 0.056 603 HA PRO 82 HA PRO 82 -17.182 -0.352 -3.316 604 HB2 PRO 82 HB2 PRO 82 -18.947 1.891 -2.842 605 HB3 PRO 82 HB1 PRO 82 -17.840 1.639 -4.194 606 HG2 PRO 82 HG2 PRO 82 -20.570 1.633 -4.431 607 HG3 PRO 82 HG1 PRO 82 -19.479 0.771 -5.531 608 HD2 PRO 82 HD2 PRO 82 -21.085 -0.278 -3.234 609 HD3 PRO 82 HD1 PRO 82 -20.775 -1.014 -4.823 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 14.900 -4.974 -6.279 2 H2 GLY 1 HT2 GLY 1 13.716 -4.533 -7.409 3 H3 GLY 1 HT3 GLY 1 14.308 -6.121 -7.377 4 HA2 GLY 1 HA1 GLY 1 13.328 -6.523 -5.250 5 HA3 GLY 1 HA2 GLY 1 12.809 -4.846 -5.165 6 HA PRO 2 HA PRO 2 9.983 -7.695 -7.994 7 HB2 PRO 2 HB2 PRO 2 9.101 -9.238 -5.630 8 HB3 PRO 2 HB1 PRO 2 9.472 -9.798 -7.265 9 HG2 PRO 2 HG2 PRO 2 11.127 -10.321 -5.248 10 HG3 PRO 2 HG1 PRO 2 11.744 -9.901 -6.859 11 HD2 PRO 2 HD2 PRO 2 11.502 -8.167 -4.420 12 HD3 PRO 2 HD1 PRO 2 12.858 -8.316 -5.560 13 H GLU 3 HN GLU 3 7.935 -7.044 -8.271 14 HA GLU 3 HA GLU 3 6.807 -5.273 -6.249 15 HB2 GLU 3 HB2 GLU 3 6.864 -4.470 -8.552 16 HB3 GLU 3 HB1 GLU 3 5.935 -5.866 -9.082 17 HG2 GLU 3 HG2 GLU 3 4.153 -5.028 -7.414 18 HG3 GLU 3 HG1 GLU 3 5.039 -3.506 -7.480 19 H HIS 4 HN HIS 4 5.151 -5.779 -4.988 20 HA HIS 4 HA HIS 4 3.604 -8.207 -5.615 21 HB2 HIS 4 HB2 HIS 4 4.162 -7.100 -2.857 22 HB3 HIS 4 HB1 HIS 4 3.350 -8.610 -3.241 23 HD1 HIS 4 HD1 HIS 4 4.881 -10.549 -4.211 24 HD2 HIS 4 HD2 HIS 4 6.909 -7.247 -2.697 25 HE1 HIS 4 HE1 HIS 4 7.266 -11.294 -3.910 26 HE2 HIS 4 HE2 HIS 4 8.418 -9.356 -2.786 27 H ARG 5 HN ARG 5 1.386 -8.061 -5.428 28 HA ARG 5 HA ARG 5 0.246 -5.413 -5.413 29 HB2 ARG 5 HB2 ARG 5 -0.834 -8.173 -5.831 30 HB3 ARG 5 HB1 ARG 5 -1.946 -6.864 -5.462 31 HG2 ARG 5 HG2 ARG 5 -0.025 -6.928 -7.779 32 HG3 ARG 5 HG1 ARG 5 -1.760 -7.245 -7.861 33 HD2 ARG 5 HD2 ARG 5 -1.990 -4.903 -6.778 34 HD3 ARG 5 HD1 ARG 5 -0.330 -4.668 -7.321 35 HE ARG 5 HE ARG 5 -2.269 -5.557 -9.310 36 HH11 ARG 5 HH11 ARG 5 -0.384 -2.924 -7.964 37 HH12 ARG 5 HH12 ARG 5 -0.657 -1.872 -9.320 38 HH21 ARG 5 HH21 ARG 5 -2.657 -4.147 -11.071 39 HH22 ARG 5 HH22 ARG 5 -1.933 -2.563 -11.069 40 H ALA 6 HN ALA 6 -0.974 -4.464 -3.834 41 HA ALA 6 HA ALA 6 -1.609 -5.963 -1.424 42 HB1 ALA 6 HB1 ALA 6 0.691 -5.201 -1.063 43 HB2 ALA 6 HB2 ALA 6 -0.439 -4.433 0.054 44 HB3 ALA 6 HB3 ALA 6 0.176 -3.536 -1.336 45 H VAL 7 HN VAL 7 -3.451 -5.285 -0.542 46 HA VAL 7 HA VAL 7 -4.397 -2.572 -1.188 47 HB VAL 7 HB VAL 7 -6.722 -3.427 -1.003 48 HG11 VAL 7 HG11 VAL 7 -6.800 -4.511 -3.181 49 HG12 VAL 7 HG12 VAL 7 -5.067 -4.833 -3.095 50 HG13 VAL 7 HG13 VAL 7 -5.653 -3.169 -3.191 51 HG21 VAL 7 HG21 VAL 7 -7.129 -5.845 -1.123 52 HG22 VAL 7 HG22 VAL 7 -6.314 -5.390 0.373 53 HG23 VAL 7 HG23 VAL 7 -5.400 -6.138 -0.935 54 H GLY 8 HN GLY 8 -5.579 -1.490 0.515 55 HA2 GLY 8 HA2 GLY 8 -6.052 -2.675 3.025 56 HA3 GLY 8 HA1 GLY 8 -4.489 -1.880 3.063 57 H ARG 9 HN ARG 9 -5.522 -0.671 4.768 58 HA ARG 9 HA ARG 9 -7.273 1.498 3.796 59 HB2 ARG 9 HB2 ARG 9 -8.241 -0.192 5.453 60 HB3 ARG 9 HB1 ARG 9 -7.103 0.450 6.625 61 HG2 ARG 9 HG2 ARG 9 -8.135 2.687 6.313 62 HG3 ARG 9 HG1 ARG 9 -9.356 1.923 5.287 63 HD2 ARG 9 HD2 ARG 9 -9.408 0.306 7.465 64 HD3 ARG 9 HD1 ARG 9 -9.022 1.857 8.207 65 HE ARG 9 HE ARG 9 -11.074 2.698 7.032 66 HH11 ARG 9 HH11 ARG 9 -10.692 -0.662 7.926 67 HH12 ARG 9 HH12 ARG 9 -12.398 -0.977 7.980 68 HH21 ARG 9 HH21 ARG 9 -13.325 2.303 7.135 69 HH22 ARG 9 HH22 ARG 9 -13.895 0.707 7.531 70 H ILE 10 HN ILE 10 -6.484 3.520 4.045 71 HA ILE 10 HA ILE 10 -3.768 3.857 4.772 72 HB ILE 10 HB ILE 10 -5.852 6.020 4.467 73 HG12 ILE 10 HG12 ILE 10 -5.783 4.596 2.474 74 HG13 ILE 10 HG11 ILE 10 -5.096 6.182 2.136 75 HG21 ILE 10 HG21 ILE 10 -2.848 6.083 4.248 76 HG22 ILE 10 HG22 ILE 10 -3.820 6.776 5.547 77 HG23 ILE 10 HG23 ILE 10 -3.928 7.435 3.916 78 HD11 ILE 10 HD11 ILE 10 -3.784 4.441 1.106 79 HD12 ILE 10 HD12 ILE 10 -3.562 3.653 2.668 80 HD13 ILE 10 HD13 ILE 10 -2.851 5.241 2.371 81 H GLN 11 HN GLN 11 -2.851 4.370 6.633 82 HA GLN 11 HA GLN 11 -4.560 4.581 8.984 83 HB2 GLN 11 HB2 GLN 11 -2.416 3.073 8.613 84 HB3 GLN 11 HB1 GLN 11 -1.574 4.533 9.108 85 HG2 GLN 11 HG2 GLN 11 -1.962 2.977 10.958 86 HG3 GLN 11 HG1 GLN 11 -2.736 4.542 11.216 87 HE21 GLN 11 HE21 GLN 11 -3.255 1.186 10.383 88 HE22 GLN 11 HE22 GLN 11 -4.936 1.152 10.775 89 H SER 12 HN SER 12 -1.741 6.228 7.570 90 HA SER 12 HA SER 12 -2.866 8.819 8.086 91 HB2 SER 12 HB2 SER 12 -0.299 8.073 9.521 92 HB3 SER 12 HB1 SER 12 -1.060 9.665 9.499 93 HG SER 12 HG SER 12 -2.910 7.978 10.301 94 H ILE 13 HN ILE 13 -1.753 10.476 6.946 95 HA ILE 13 HA ILE 13 0.002 9.442 4.837 96 HB ILE 13 HB ILE 13 -1.571 12.018 5.013 97 HG12 ILE 13 HG12 ILE 13 -1.893 9.582 3.246 98 HG13 ILE 13 HG11 ILE 13 -2.919 10.002 4.612 99 HG21 ILE 13 HG21 ILE 13 0.493 12.403 3.791 100 HG22 ILE 13 HG22 ILE 13 -0.884 12.415 2.690 101 HG23 ILE 13 HG23 ILE 13 0.167 11.004 2.771 102 HD11 ILE 13 HD11 ILE 13 -3.912 10.555 2.430 103 HD12 ILE 13 HD12 ILE 13 -2.584 11.681 2.142 104 HD13 ILE 13 HD13 ILE 13 -3.706 11.964 3.471 105 H GLY 14 HN GLY 14 1.996 10.271 4.425 106 HA2 GLY 14 HA2 GLY 14 3.166 11.988 6.503 107 HA3 GLY 14 HA1 GLY 14 4.049 10.856 5.512 108 H GLU 15 HN GLU 15 5.483 12.147 4.604 109 HA GLU 15 HA GLU 15 4.560 14.529 3.138 110 HB2 GLU 15 HB2 GLU 15 7.401 13.670 3.710 111 HB3 GLU 15 HB1 GLU 15 6.854 15.246 3.161 112 HG2 GLU 15 HG2 GLU 15 5.897 15.745 5.273 113 HG3 GLU 15 HG1 GLU 15 6.120 14.085 5.831 114 H ARG 16 HN ARG 16 6.447 11.605 2.940 115 HA ARG 16 HA ARG 16 5.909 11.345 0.096 116 HB2 ARG 16 HB2 ARG 16 8.585 10.629 0.172 117 HB3 ARG 16 HB1 ARG 16 7.919 12.071 -0.570 118 HG2 ARG 16 HG2 ARG 16 9.708 12.792 0.770 119 HG3 ARG 16 HG1 ARG 16 8.249 13.215 1.662 120 HD2 ARG 16 HD2 ARG 16 9.856 12.288 3.187 121 HD3 ARG 16 HD1 ARG 16 8.526 11.148 2.999 122 HE ARG 16 HE ARG 16 10.675 10.602 1.203 123 HH11 ARG 16 HH11 ARG 16 9.625 10.224 4.510 124 HH12 ARG 16 HH12 ARG 16 10.561 8.784 4.790 125 HH21 ARG 16 HH21 ARG 16 11.956 8.735 1.554 126 HH22 ARG 16 HH22 ARG 16 11.901 7.943 3.106 127 H SER 17 HN SER 17 5.659 10.133 2.943 128 HA SER 17 HA SER 17 5.412 7.462 1.901 129 HB2 SER 17 HB2 SER 17 6.573 6.447 3.879 130 HB3 SER 17 HB1 SER 17 7.655 7.264 2.764 131 HG SER 17 HG SER 17 7.328 7.692 5.369 132 H LEU 18 HN LEU 18 4.037 6.188 3.280 133 HA LEU 18 HA LEU 18 2.749 7.570 5.469 134 HB2 LEU 18 HB2 LEU 18 0.464 7.102 4.273 135 HB3 LEU 18 HB1 LEU 18 1.342 8.595 4.027 136 HG LEU 18 HG LEU 18 2.346 7.336 1.965 137 HD11 LEU 18 HD11 LEU 18 1.388 5.162 2.454 138 HD12 LEU 18 HD12 LEU 18 0.756 5.796 0.933 139 HD13 LEU 18 HD13 LEU 18 -0.236 5.847 2.390 140 HD21 LEU 18 HD21 LEU 18 -0.455 8.438 2.080 141 HD22 LEU 18 HD22 LEU 18 0.479 8.197 0.605 142 HD23 LEU 18 HD23 LEU 18 1.038 9.345 1.821 143 H ILE 19 HN ILE 19 1.266 6.284 6.638 144 HA ILE 19 HA ILE 19 2.155 3.505 6.599 145 HB ILE 19 HB ILE 19 0.499 4.812 8.750 146 HG12 ILE 19 HG12 ILE 19 3.519 4.725 8.592 147 HG13 ILE 19 HG11 ILE 19 2.548 6.165 8.319 148 HG21 ILE 19 HG21 ILE 19 0.634 2.409 8.860 149 HG22 ILE 19 HG22 ILE 19 1.600 3.106 10.160 150 HG23 ILE 19 HG23 ILE 19 2.391 2.466 8.719 151 HD11 ILE 19 HD11 ILE 19 1.740 6.057 10.619 152 HD12 ILE 19 HD12 ILE 19 3.502 6.146 10.551 153 HD13 ILE 19 HD13 ILE 19 2.709 4.608 10.889 154 H ILE 20 HN ILE 20 0.832 1.845 6.122 155 HA ILE 20 HA ILE 20 -2.049 2.401 5.855 156 HB ILE 20 HB ILE 20 -0.390 0.810 3.893 157 HG12 ILE 20 HG12 ILE 20 -1.778 3.465 3.485 158 HG13 ILE 20 HG11 ILE 20 -0.055 3.290 3.794 159 HG21 ILE 20 HG21 ILE 20 -3.309 1.565 3.837 160 HG22 ILE 20 HG22 ILE 20 -2.667 -0.040 4.184 161 HG23 ILE 20 HG23 ILE 20 -2.444 0.675 2.584 162 HD11 ILE 20 HD11 ILE 20 -0.465 3.596 1.435 163 HD12 ILE 20 HD12 ILE 20 -1.565 2.217 1.421 164 HD13 ILE 20 HD13 ILE 20 0.155 1.971 1.732 165 H ALA 21 HN ALA 21 -3.259 0.983 6.922 166 HA ALA 21 HA ALA 21 -2.216 -1.539 7.848 167 HB1 ALA 21 HB1 ALA 21 -5.035 -0.460 7.833 168 HB2 ALA 21 HB2 ALA 21 -3.901 -0.402 9.184 169 HB3 ALA 21 HB3 ALA 21 -4.522 -1.953 8.616 170 H HIS 22 HN HIS 22 -1.599 -2.635 6.002 171 HA HIS 22 HA HIS 22 -3.519 -3.026 3.869 172 HB2 HIS 22 HB2 HIS 22 -1.695 -4.271 2.749 173 HB3 HIS 22 HB1 HIS 22 -1.212 -2.648 3.222 174 HD1 HIS 22 HD1 HIS 22 -0.876 -6.220 4.523 175 HD2 HIS 22 HD2 HIS 22 1.133 -2.572 4.577 176 HE1 HIS 22 HE1 HIS 22 1.325 -6.671 5.657 177 HE2 HIS 22 HE2 HIS 22 2.589 -4.496 5.511 178 H GLU 23 HN GLU 23 -4.140 -5.086 3.113 179 HA GLU 23 HA GLU 23 -4.972 -6.941 5.048 180 HB2 GLU 23 HB2 GLU 23 -4.670 -7.249 2.060 181 HB3 GLU 23 HB1 GLU 23 -5.500 -8.396 3.100 182 HG2 GLU 23 HG2 GLU 23 -6.275 -5.522 2.692 183 HG3 GLU 23 HG1 GLU 23 -7.047 -6.914 1.938 184 H ALA 24 HN ALA 24 -4.440 -9.439 4.126 185 HA ALA 24 HA ALA 24 -2.082 -10.060 5.472 186 HB1 ALA 24 HB1 ALA 24 -3.547 -11.761 3.469 187 HB2 ALA 24 HB2 ALA 24 -3.921 -11.642 5.188 188 HB3 ALA 24 HB3 ALA 24 -2.385 -12.333 4.667 189 H ILE 25 HN ILE 25 -2.707 -10.002 2.010 190 HA ILE 25 HA ILE 25 -1.331 -9.701 0.220 191 HB ILE 25 HB ILE 25 0.901 -9.225 2.211 192 HG12 ILE 25 HG12 ILE 25 -0.953 -7.301 0.781 193 HG13 ILE 25 HG11 ILE 25 -0.838 -7.571 2.515 194 HG21 ILE 25 HG21 ILE 25 1.726 -9.850 0.003 195 HG22 ILE 25 HG22 ILE 25 2.038 -8.141 0.313 196 HG23 ILE 25 HG23 ILE 25 0.710 -8.619 -0.746 197 HD11 ILE 25 HD11 ILE 25 1.318 -6.398 0.781 198 HD12 ILE 25 HD12 ILE 25 1.406 -6.650 2.525 199 HD13 ILE 25 HD13 ILE 25 0.244 -5.503 1.858 200 HA PRO 26 HA PRO 26 -0.218 -14.130 0.652 201 HB2 PRO 26 HB2 PRO 26 -1.139 -14.120 -2.154 202 HB3 PRO 26 HB1 PRO 26 -1.637 -15.155 -0.812 203 HG2 PRO 26 HG2 PRO 26 -3.249 -13.249 -1.775 204 HG3 PRO 26 HG1 PRO 26 -3.197 -13.632 -0.042 205 HD2 PRO 26 HD2 PRO 26 -1.927 -11.358 -1.524 206 HD3 PRO 26 HD1 PRO 26 -2.751 -11.353 0.050 207 H SER 27 HN SER 27 0.647 -11.666 -1.665 208 HA SER 27 HA SER 27 2.641 -13.245 -2.987 209 HB2 SER 27 HB2 SER 27 1.392 -11.252 -3.976 210 HB3 SER 27 HB1 SER 27 2.446 -10.226 -3.006 211 HG SER 27 HG SER 27 3.400 -12.179 -4.840 212 H ALA 28 HN ALA 28 2.529 -11.645 0.001 213 HA ALA 28 HA ALA 28 5.476 -11.701 0.143 214 HB1 ALA 28 HB1 ALA 28 3.638 -9.818 1.616 215 HB2 ALA 28 HB2 ALA 28 4.634 -9.404 0.219 216 HB3 ALA 28 HB3 ALA 28 5.399 -9.868 1.740 217 H GLN 29 HN GLN 29 2.610 -12.995 1.276 218 HA GLN 29 HA GLN 29 2.121 -14.582 2.814 219 HB2 GLN 29 HB2 GLN 29 4.802 -15.028 2.211 220 HB3 GLN 29 HB1 GLN 29 4.757 -14.993 3.970 221 HG2 GLN 29 HG2 GLN 29 4.457 -17.246 3.245 222 HG3 GLN 29 HG1 GLN 29 2.930 -16.663 3.910 223 HE21 GLN 29 HE21 GLN 29 4.183 -15.797 0.766 224 HE22 GLN 29 HE22 GLN 29 2.970 -16.612 -0.161 225 H TRP 30 HN TRP 30 2.186 -11.766 3.484 226 HA TRP 30 HA TRP 30 2.953 -11.707 6.287 227 HB2 TRP 30 HB2 TRP 30 1.820 -9.590 4.452 228 HB3 TRP 30 HB1 TRP 30 2.077 -9.330 6.174 229 HD1 TRP 30 HD1 TRP 30 4.930 -11.159 5.897 230 HE1 TRP 30 HE1 TRP 30 7.004 -9.857 5.096 231 HE3 TRP 30 HE3 TRP 30 2.588 -7.133 3.797 232 HZ2 TRP 30 HZ2 TRP 30 7.563 -7.434 3.765 233 HZ3 TRP 30 HZ3 TRP 30 3.967 -5.361 2.786 234 HH2 TRP 30 HH2 TRP 30 6.399 -5.512 2.771 235 H GLY 31 HN GLY 31 1.188 -10.494 7.699 236 HA2 GLY 31 HA2 GLY 31 -1.309 -12.019 7.311 237 HA3 GLY 31 HA1 GLY 31 -0.476 -12.004 8.855 238 H ALA 32 HN ALA 32 -1.183 -9.388 6.578 239 HA ALA 32 HA ALA 32 -2.376 -7.471 6.727 240 HB1 ALA 32 HB1 ALA 32 -4.502 -7.521 7.906 241 HB2 ALA 32 HB2 ALA 32 -4.028 -9.006 8.730 242 HB3 ALA 32 HB3 ALA 32 -4.256 -9.001 6.981 243 H MET 33 HN MET 33 -0.842 -6.097 7.563 244 HA MET 33 HA MET 33 -1.248 -5.296 10.321 245 HB2 MET 33 HB2 MET 33 1.182 -5.247 10.795 246 HB3 MET 33 HB1 MET 33 0.554 -6.873 10.578 247 HG2 MET 33 HG2 MET 33 1.451 -6.971 8.351 248 HG3 MET 33 HG1 MET 33 1.993 -5.299 8.462 249 HE1 MET 33 HE1 MET 33 3.787 -7.916 7.684 250 HE2 MET 33 HE2 MET 33 5.288 -7.504 8.512 251 HE3 MET 33 HE3 MET 33 4.397 -6.264 7.630 252 H THR 34 HN THR 34 -0.511 -3.210 10.801 253 HA THR 34 HA THR 34 -0.687 -1.412 8.594 254 HB THR 34 HB THR 34 0.043 -0.751 11.448 255 HG1 THR 34 HG1 THR 34 -1.874 -1.587 11.839 256 HG21 THR 34 HG21 THR 34 -1.327 0.840 9.278 257 HG22 THR 34 HG22 THR 34 0.319 1.085 9.859 258 HG23 THR 34 HG23 THR 34 -1.047 1.387 10.931 259 H MET 35 HN MET 35 0.994 -1.169 7.270 260 HA MET 35 HA MET 35 3.650 -0.721 8.464 261 HB2 MET 35 HB2 MET 35 2.854 -2.587 6.327 262 HB3 MET 35 HB1 MET 35 4.294 -1.636 5.992 263 HG2 MET 35 HG2 MET 35 3.865 -3.335 8.433 264 HG3 MET 35 HG1 MET 35 4.812 -3.795 7.017 265 HE1 MET 35 HE1 MET 35 7.067 -2.661 6.304 266 HE2 MET 35 HE2 MET 35 7.793 -1.290 7.141 267 HE3 MET 35 HE3 MET 35 6.290 -1.078 6.246 268 H GLU 36 HN GLU 36 5.074 0.611 7.223 269 HA GLU 36 HA GLU 36 3.585 2.741 5.876 270 HB2 GLU 36 HB2 GLU 36 5.033 3.277 7.841 271 HB3 GLU 36 HB1 GLU 36 6.427 2.750 6.912 272 HG2 GLU 36 HG2 GLU 36 6.013 4.518 5.280 273 HG3 GLU 36 HG1 GLU 36 4.611 5.045 6.209 274 H PHE 37 HN PHE 37 4.066 3.435 3.826 275 HA PHE 37 HA PHE 37 6.041 1.836 2.326 276 HB2 PHE 37 HB2 PHE 37 3.364 2.894 1.379 277 HB3 PHE 37 HB1 PHE 37 4.562 2.138 0.335 278 HD1 PHE 37 HD1 PHE 37 2.076 1.591 2.953 279 HD2 PHE 37 HD2 PHE 37 4.962 -0.246 0.422 280 HE1 PHE 37 HE1 PHE 37 1.115 -0.615 3.463 281 HE2 PHE 37 HE2 PHE 37 4.002 -2.456 0.923 282 HZ PHE 37 HZ PHE 37 2.105 -2.647 2.473 283 H ALA 38 HN ALA 38 7.534 2.937 1.208 284 HA ALA 38 HA ALA 38 7.480 5.847 1.413 285 HB1 ALA 38 HB1 ALA 38 9.827 5.732 0.718 286 HB2 ALA 38 HB2 ALA 38 9.672 3.988 0.501 287 HB3 ALA 38 HB3 ALA 38 9.507 4.693 2.108 288 H ALA 39 HN ALA 39 7.066 7.166 -0.240 289 HA ALA 39 HA ALA 39 6.604 5.960 -2.875 290 HB1 ALA 39 HB1 ALA 39 5.314 7.981 -3.359 291 HB2 ALA 39 HB2 ALA 39 5.750 8.644 -1.786 292 HB3 ALA 39 HB3 ALA 39 4.741 7.202 -1.885 293 HA PRO 40 HA PRO 40 9.945 8.236 -4.867 294 HB2 PRO 40 HB2 PRO 40 7.939 9.373 -6.735 295 HB3 PRO 40 HB1 PRO 40 9.401 8.444 -7.085 296 HG2 PRO 40 HG2 PRO 40 6.973 7.358 -7.345 297 HG3 PRO 40 HG1 PRO 40 8.347 6.411 -6.748 298 HD2 PRO 40 HD2 PRO 40 6.073 7.623 -5.233 299 HD3 PRO 40 HD1 PRO 40 6.892 6.068 -4.984 300 HA PRO 41 HA PRO 41 9.925 12.277 -3.073 301 HB2 PRO 41 HB2 PRO 41 11.379 13.146 -5.519 302 HB3 PRO 41 HB1 PRO 41 11.826 13.324 -3.819 303 HG2 PRO 41 HG2 PRO 41 13.022 11.511 -5.349 304 HG3 PRO 41 HG1 PRO 41 12.610 11.142 -3.663 305 HD2 PRO 41 HD2 PRO 41 11.254 10.277 -6.183 306 HD3 PRO 41 HD1 PRO 41 11.524 9.374 -4.677 307 H ALA 42 HN ALA 42 8.700 11.760 -6.268 308 HA ALA 42 HA ALA 42 7.621 14.241 -6.911 309 HB1 ALA 42 HB1 ALA 42 5.990 13.014 -8.249 310 HB2 ALA 42 HB2 ALA 42 6.403 11.525 -7.399 311 HB3 ALA 42 HB3 ALA 42 7.600 12.317 -8.423 312 H GLY 43 HN GLY 43 6.380 11.738 -4.742 313 HA2 GLY 43 HA2 GLY 43 5.151 12.449 -2.781 314 HA3 GLY 43 HA1 GLY 43 4.411 13.695 -3.773 315 H LEU 44 HN LEU 44 2.701 12.307 -2.403 316 HA LEU 44 HA LEU 44 1.790 9.983 -3.914 317 HB2 LEU 44 HB2 LEU 44 0.924 11.224 -1.311 318 HB3 LEU 44 HB1 LEU 44 0.007 9.950 -2.080 319 HG LEU 44 HG LEU 44 1.334 8.954 -0.380 320 HD11 LEU 44 HD11 LEU 44 1.150 7.684 -2.434 321 HD12 LEU 44 HD12 LEU 44 2.703 7.388 -1.652 322 HD13 LEU 44 HD13 LEU 44 2.611 8.450 -3.058 323 HD21 LEU 44 HD21 LEU 44 3.718 10.311 -1.632 324 HD22 LEU 44 HD22 LEU 44 3.781 9.139 -0.316 325 HD23 LEU 44 HD23 LEU 44 2.993 10.697 -0.071 326 HA PRO 45 HA PRO 45 -1.593 12.196 -5.868 327 HB2 PRO 45 HB2 PRO 45 -3.372 10.177 -6.115 328 HB3 PRO 45 HB1 PRO 45 -1.944 10.323 -7.148 329 HG2 PRO 45 HG2 PRO 45 -2.411 8.559 -4.788 330 HG3 PRO 45 HG1 PRO 45 -1.559 8.210 -6.302 331 HD2 PRO 45 HD2 PRO 45 -0.307 8.821 -3.944 332 HD3 PRO 45 HD1 PRO 45 0.398 9.115 -5.543 333 H GLN 46 HN GLN 46 -4.213 11.719 -5.591 334 HA GLN 46 HA GLN 46 -4.729 12.328 -2.770 335 HB2 GLN 46 HB2 GLN 46 -6.473 13.850 -3.503 336 HB3 GLN 46 HB1 GLN 46 -4.941 14.295 -4.228 337 HG2 GLN 46 HG2 GLN 46 -7.141 12.773 -5.601 338 HG3 GLN 46 HG1 GLN 46 -6.839 14.495 -5.774 339 HE21 GLN 46 HE21 GLN 46 -5.898 11.314 -6.686 340 HE22 GLN 46 HE22 GLN 46 -4.744 11.771 -7.896 341 H GLY 47 HN GLY 47 -6.635 11.555 -1.851 342 HA2 GLY 47 HA2 GLY 47 -8.760 10.412 -2.013 343 HA3 GLY 47 HA1 GLY 47 -8.161 9.599 -3.454 344 H LEU 48 HN LEU 48 -5.960 9.940 -0.875 345 HA LEU 48 HA LEU 48 -6.439 7.208 0.039 346 HB2 LEU 48 HB2 LEU 48 -3.834 7.090 0.016 347 HB3 LEU 48 HB1 LEU 48 -4.754 6.767 -1.431 348 HG LEU 48 HG LEU 48 -4.281 9.056 -2.234 349 HD11 LEU 48 HD11 LEU 48 -2.445 9.237 0.149 350 HD12 LEU 48 HD12 LEU 48 -3.931 10.160 -0.073 351 HD13 LEU 48 HD13 LEU 48 -2.571 10.405 -1.166 352 HD21 LEU 48 HD21 LEU 48 -2.899 7.199 -2.926 353 HD22 LEU 48 HD22 LEU 48 -1.872 7.415 -1.510 354 HD23 LEU 48 HD23 LEU 48 -1.932 8.663 -2.754 355 H LYS 49 HN LYS 49 -7.372 9.000 1.642 356 HA LYS 49 HA LYS 49 -5.267 10.083 3.370 357 HB2 LYS 49 HB2 LYS 49 -6.859 11.572 4.212 358 HB3 LYS 49 HB1 LYS 49 -7.344 11.399 2.531 359 HG2 LYS 49 HG2 LYS 49 -9.026 9.725 3.227 360 HG3 LYS 49 HG1 LYS 49 -8.574 10.012 4.906 361 HD2 LYS 49 HD2 LYS 49 -10.542 11.288 4.413 362 HD3 LYS 49 HD1 LYS 49 -9.181 12.399 4.604 363 HE2 LYS 49 HE2 LYS 49 -10.591 12.998 2.686 364 HE3 LYS 49 HE1 LYS 49 -8.955 12.565 2.189 365 HZ1 LYS 49 HZ1 LYS 49 -10.573 11.560 0.725 366 HZ2 LYS 49 HZ2 LYS 49 -11.351 10.812 2.033 367 HZ3 LYS 49 HZ3 LYS 49 -9.779 10.346 1.606 368 H ALA 50 HN ALA 50 -5.713 9.982 5.770 369 HA ALA 50 HA ALA 50 -5.758 7.409 6.762 370 HB1 ALA 50 HB1 ALA 50 -6.195 8.425 8.954 371 HB2 ALA 50 HB2 ALA 50 -6.642 9.936 8.160 372 HB3 ALA 50 HB3 ALA 50 -4.988 9.335 8.046 373 H GLY 51 HN GLY 51 -7.320 5.974 6.392 374 HA2 GLY 51 HA2 GLY 51 -9.476 5.219 7.296 375 HA3 GLY 51 HA1 GLY 51 -10.105 6.811 6.908 376 H ASP 52 HN ASP 52 -8.342 6.475 4.315 377 HA ASP 52 HA ASP 52 -10.564 5.508 2.744 378 HB2 ASP 52 HB2 ASP 52 -7.908 6.724 2.060 379 HB3 ASP 52 HB1 ASP 52 -8.837 5.887 0.825 380 H ARG 53 HN ARG 53 -10.441 3.843 1.198 381 HA ARG 53 HA ARG 53 -8.414 1.814 1.811 382 HB2 ARG 53 HB2 ARG 53 -10.879 1.275 2.143 383 HB3 ARG 53 HB1 ARG 53 -11.021 1.326 0.390 384 HG2 ARG 53 HG2 ARG 53 -9.683 -0.542 0.094 385 HG3 ARG 53 HG1 ARG 53 -8.959 -0.393 1.695 386 HD2 ARG 53 HD2 ARG 53 -11.173 -0.951 2.676 387 HD3 ARG 53 HD1 ARG 53 -11.773 -1.243 1.043 388 HE ARG 53 HE ARG 53 -10.480 -3.183 0.922 389 HH11 ARG 53 HH11 ARG 53 -10.036 -1.507 3.961 390 HH12 ARG 53 HH12 ARG 53 -9.243 -2.836 4.745 391 HH21 ARG 53 HH21 ARG 53 -9.476 -4.963 1.945 392 HH22 ARG 53 HH22 ARG 53 -8.912 -4.819 3.590 393 H VAL 54 HN VAL 54 -6.901 1.530 0.361 394 HA VAL 54 HA VAL 54 -7.434 2.332 -2.422 395 HB VAL 54 HB VAL 54 -4.989 3.040 -2.507 396 HG11 VAL 54 HG11 VAL 54 -6.806 4.568 -0.635 397 HG12 VAL 54 HG12 VAL 54 -6.829 4.658 -2.396 398 HG13 VAL 54 HG13 VAL 54 -5.417 5.220 -1.503 399 HG21 VAL 54 HG21 VAL 54 -3.913 3.567 -0.387 400 HG22 VAL 54 HG22 VAL 54 -4.284 1.845 -0.480 401 HG23 VAL 54 HG23 VAL 54 -5.294 2.915 0.495 402 H ALA 55 HN ALA 55 -6.172 1.276 -4.023 403 HA ALA 55 HA ALA 55 -5.057 -1.321 -3.173 404 HB1 ALA 55 HB1 ALA 55 -6.312 -0.585 -5.824 405 HB2 ALA 55 HB2 ALA 55 -7.069 -1.555 -4.560 406 HB3 ALA 55 HB3 ALA 55 -5.640 -2.160 -5.397 407 H PHE 56 HN PHE 56 -2.935 -1.600 -3.531 408 HA PHE 56 HA PHE 56 -1.602 0.109 -5.493 409 HB2 PHE 56 HB2 PHE 56 0.206 0.532 -3.731 410 HB3 PHE 56 HB1 PHE 56 -1.281 1.448 -3.588 411 HD1 PHE 56 HD1 PHE 56 -2.941 0.819 -1.830 412 HD2 PHE 56 HD2 PHE 56 0.920 -0.965 -2.031 413 HE1 PHE 56 HE1 PHE 56 -3.183 0.032 0.489 414 HE2 PHE 56 HE2 PHE 56 0.677 -1.752 0.291 415 HZ PHE 56 HZ PHE 56 -1.351 -1.232 1.557 416 H SER 57 HN SER 57 0.834 -0.477 -5.591 417 HA SER 57 HA SER 57 1.312 -3.188 -4.593 418 HB2 SER 57 HB2 SER 57 2.844 -3.297 -6.759 419 HB3 SER 57 HB1 SER 57 1.146 -3.744 -6.814 420 HG SER 57 HG SER 57 2.193 -2.100 -8.392 421 H PHE 58 HN PHE 58 3.916 -3.480 -4.955 422 HA PHE 58 HA PHE 58 5.480 -1.163 -4.556 423 HB2 PHE 58 HB2 PHE 58 6.022 -1.346 -2.219 424 HB3 PHE 58 HB1 PHE 58 4.274 -1.198 -2.364 425 HD1 PHE 58 HD1 PHE 58 2.862 -3.273 -2.149 426 HD2 PHE 58 HD2 PHE 58 6.995 -3.188 -1.141 427 HE1 PHE 58 HE1 PHE 58 2.573 -5.318 -0.816 428 HE2 PHE 58 HE2 PHE 58 6.715 -5.237 0.193 429 HZ PHE 58 HZ PHE 58 4.502 -6.304 0.355 430 H ARG 59 HN ARG 59 7.717 -1.690 -4.123 431 HA ARG 59 HA ARG 59 8.313 -4.491 -4.814 432 HB2 ARG 59 HB2 ARG 59 10.110 -2.099 -5.220 433 HB3 ARG 59 HB1 ARG 59 10.364 -3.731 -5.822 434 HG2 ARG 59 HG2 ARG 59 8.337 -3.467 -7.227 435 HG3 ARG 59 HG1 ARG 59 8.243 -1.786 -6.696 436 HD2 ARG 59 HD2 ARG 59 10.335 -3.117 -8.385 437 HD3 ARG 59 HD1 ARG 59 9.366 -1.688 -8.748 438 HE ARG 59 HE ARG 59 11.631 -1.792 -6.859 439 HH11 ARG 59 HH11 ARG 59 9.512 0.014 -8.976 440 HH12 ARG 59 HH12 ARG 59 10.368 1.511 -8.770 441 HH21 ARG 59 HH21 ARG 59 12.758 0.152 -6.584 442 HH22 ARG 59 HH22 ARG 59 12.245 1.589 -7.420 443 H LEU 60 HN LEU 60 9.514 -5.667 -3.440 444 HA LEU 60 HA LEU 60 10.536 -4.346 -1.043 445 HB2 LEU 60 HB2 LEU 60 9.902 -7.150 -1.762 446 HB3 LEU 60 HB1 LEU 60 11.198 -6.894 -0.611 447 HG LEU 60 HG LEU 60 8.317 -6.043 -0.308 448 HD11 LEU 60 HD11 LEU 60 8.761 -8.412 0.100 449 HD12 LEU 60 HD12 LEU 60 8.379 -7.568 1.600 450 HD13 LEU 60 HD13 LEU 60 10.051 -7.975 1.218 451 HD21 LEU 60 HD21 LEU 60 9.003 -5.226 1.911 452 HD22 LEU 60 HD22 LEU 60 9.773 -4.318 0.607 453 HD23 LEU 60 HD23 LEU 60 10.689 -5.539 1.491 454 H ASP 61 HN ASP 61 12.491 -3.563 -1.142 455 HA ASP 61 HA ASP 61 14.406 -4.588 -3.056 456 HB2 ASP 61 HB2 ASP 61 14.670 -2.375 -1.013 457 HB3 ASP 61 HB1 ASP 61 15.879 -2.779 -2.215 458 HA PRO 62 HA PRO 62 16.563 -7.336 -0.548 459 HB2 PRO 62 HB2 PRO 62 19.214 -6.247 -1.120 460 HB3 PRO 62 HB1 PRO 62 18.475 -7.741 -1.703 461 HG2 PRO 62 HG2 PRO 62 18.932 -5.624 -3.322 462 HG3 PRO 62 HG1 PRO 62 17.559 -6.724 -3.552 463 HD2 PRO 62 HD2 PRO 62 17.615 -4.011 -2.275 464 HD3 PRO 62 HD1 PRO 62 16.425 -4.695 -3.401 465 H HIS 63 HN HIS 63 16.603 -4.173 0.336 466 HA HIS 63 HA HIS 63 18.299 -4.595 2.697 467 HB2 HIS 63 HB2 HIS 63 17.282 -2.164 1.282 468 HB3 HIS 63 HB1 HIS 63 17.695 -2.063 2.985 469 HD1 HIS 63 HD1 HIS 63 20.193 -2.182 3.611 470 HD2 HIS 63 HD2 HIS 63 19.458 -2.493 -0.472 471 HE1 HIS 63 HE1 HIS 63 22.427 -1.887 2.491 472 HE2 HIS 63 HE2 HIS 63 21.925 -1.882 0.022 473 H GLY 64 HN GLY 64 15.187 -4.944 1.760 474 HA2 GLY 64 HA2 GLY 64 13.352 -5.506 3.093 475 HA3 GLY 64 HA1 GLY 64 14.215 -4.886 4.497 476 H MET 65 HN MET 65 13.794 -3.159 1.499 477 HA MET 65 HA MET 65 12.420 -1.041 2.967 478 HB2 MET 65 HB2 MET 65 13.785 -1.080 0.272 479 HB3 MET 65 HB1 MET 65 12.862 0.293 0.863 480 HG2 MET 65 HG2 MET 65 15.249 -0.880 2.251 481 HG3 MET 65 HG1 MET 65 15.297 0.521 1.181 482 HE1 MET 65 HE1 MET 65 16.450 1.980 3.045 483 HE2 MET 65 HE2 MET 65 16.452 0.594 4.135 484 HE3 MET 65 HE3 MET 65 15.832 2.151 4.687 485 H ALA 66 HN ALA 66 10.441 -0.265 2.356 486 HA ALA 66 HA ALA 66 8.954 -1.989 0.495 487 HB1 ALA 66 HB1 ALA 66 7.887 -0.429 2.854 488 HB2 ALA 66 HB2 ALA 66 8.142 -2.176 2.805 489 HB3 ALA 66 HB3 ALA 66 6.931 -1.430 1.759 490 H THR 67 HN THR 67 9.116 -0.897 -1.355 491 HA THR 67 HA THR 67 8.795 2.010 -1.267 492 HB THR 67 HB THR 67 9.950 0.450 -3.569 493 HG1 THR 67 HG1 THR 67 11.729 0.145 -2.420 494 HG21 THR 67 HG21 THR 67 9.346 2.805 -3.931 495 HG22 THR 67 HG22 THR 67 11.093 2.566 -4.001 496 HG23 THR 67 HG23 THR 67 10.353 3.266 -2.558 497 H LEU 68 HN LEU 68 6.884 2.711 -1.802 498 HA LEU 68 HA LEU 68 4.870 1.120 -2.997 499 HB2 LEU 68 HB2 LEU 68 4.549 3.067 -1.413 500 HB3 LEU 68 HB1 LEU 68 4.920 4.125 -2.760 501 HG LEU 68 HG LEU 68 2.958 3.207 -3.974 502 HD11 LEU 68 HD11 LEU 68 2.418 1.829 -1.351 503 HD12 LEU 68 HD12 LEU 68 2.864 1.041 -2.865 504 HD13 LEU 68 HD13 LEU 68 1.322 1.891 -2.732 505 HD21 LEU 68 HD21 LEU 68 2.380 4.369 -1.251 506 HD22 LEU 68 HD22 LEU 68 1.274 4.362 -2.625 507 HD23 LEU 68 HD23 LEU 68 2.776 5.282 -2.706 508 H VAL 69 HN VAL 69 4.081 1.086 -5.073 509 HA VAL 69 HA VAL 69 5.766 2.451 -7.048 510 HB VAL 69 HB VAL 69 4.914 0.666 -8.614 511 HG11 VAL 69 HG11 VAL 69 7.167 0.626 -7.567 512 HG12 VAL 69 HG12 VAL 69 6.519 -0.986 -7.880 513 HG13 VAL 69 HG13 VAL 69 6.481 -0.323 -6.242 514 HG21 VAL 69 HG21 VAL 69 3.011 -0.064 -7.393 515 HG22 VAL 69 HG22 VAL 69 4.051 -0.612 -6.079 516 HG23 VAL 69 HG23 VAL 69 4.133 -1.398 -7.656 517 H THR 70 HN THR 70 2.421 1.218 -6.777 518 HA THR 70 HA THR 70 1.443 3.807 -7.709 519 HB THR 70 HB THR 70 -0.197 2.433 -9.222 520 HG1 THR 70 HG1 THR 70 0.960 0.412 -8.438 521 HG21 THR 70 HG21 THR 70 1.385 4.132 -10.026 522 HG22 THR 70 HG22 THR 70 1.262 2.773 -11.142 523 HG23 THR 70 HG23 THR 70 2.662 2.916 -10.075 524 H VAL 71 HN VAL 71 -0.360 4.387 -6.656 525 HA VAL 71 HA VAL 71 -1.959 2.288 -5.359 526 HB VAL 71 HB VAL 71 -0.593 3.392 -3.629 527 HG11 VAL 71 HG11 VAL 71 -0.848 5.724 -3.095 528 HG12 VAL 71 HG12 VAL 71 -2.020 5.921 -4.395 529 HG13 VAL 71 HG13 VAL 71 -0.335 5.562 -4.776 530 HG21 VAL 71 HG21 VAL 71 -2.459 4.182 -2.155 531 HG22 VAL 71 HG22 VAL 71 -2.725 2.604 -2.902 532 HG23 VAL 71 HG23 VAL 71 -3.535 4.033 -3.545 533 H ALA 72 HN ALA 72 -4.097 2.455 -5.689 534 HA ALA 72 HA ALA 72 -5.153 4.989 -6.753 535 HB1 ALA 72 HB1 ALA 72 -6.523 3.749 -8.341 536 HB2 ALA 72 HB2 ALA 72 -5.813 2.232 -7.785 537 HB3 ALA 72 HB3 ALA 72 -4.809 3.427 -8.606 538 HA PRO 73 HA PRO 73 -8.177 4.615 -3.490 539 HB2 PRO 73 HB2 PRO 73 -9.848 6.040 -5.509 540 HB3 PRO 73 HB1 PRO 73 -9.557 6.437 -3.810 541 HG2 PRO 73 HG2 PRO 73 -8.362 7.819 -5.737 542 HG3 PRO 73 HG1 PRO 73 -7.487 7.392 -4.255 543 HD2 PRO 73 HD2 PRO 73 -7.296 6.193 -6.982 544 HD3 PRO 73 HD1 PRO 73 -6.021 6.477 -5.780 545 H GLN 74 HN GLN 74 -9.346 2.851 -3.114 546 HA GLN 74 HA GLN 74 -10.908 1.720 -5.331 547 HB2 GLN 74 HB2 GLN 74 -10.379 -0.499 -4.671 548 HB3 GLN 74 HB1 GLN 74 -8.857 0.374 -4.760 549 HG2 GLN 74 HG2 GLN 74 -8.569 0.379 -2.477 550 HG3 GLN 74 HG1 GLN 74 -10.288 0.147 -2.156 551 HE21 GLN 74 HE21 GLN 74 -7.988 -1.334 -1.163 552 HE22 GLN 74 HE22 GLN 74 -8.267 -2.973 -1.621 553 H VAL 75 HN VAL 75 -12.411 -0.103 -4.190 554 HA VAL 75 HA VAL 75 -13.818 1.306 -2.036 555 HB VAL 75 HB VAL 75 -15.210 0.075 -4.431 556 HG11 VAL 75 HG11 VAL 75 -16.503 -0.044 -2.366 557 HG12 VAL 75 HG12 VAL 75 -17.222 1.106 -3.493 558 HG13 VAL 75 HG13 VAL 75 -16.282 1.687 -2.119 559 HG21 VAL 75 HG21 VAL 75 -14.829 2.987 -3.745 560 HG22 VAL 75 HG22 VAL 75 -15.794 2.361 -5.081 561 HG23 VAL 75 HG23 VAL 75 -14.044 2.130 -5.071 562 H GLN 76 HN GLN 76 -13.003 -0.168 -0.601 563 HA GLN 76 HA GLN 76 -12.823 -2.063 0.580 564 HB2 GLN 76 HB2 GLN 76 -15.410 -2.650 -0.804 565 HB3 GLN 76 HB1 GLN 76 -14.711 -3.744 0.381 566 HG2 GLN 76 HG2 GLN 76 -15.444 -0.868 0.881 567 HG3 GLN 76 HG1 GLN 76 -16.415 -2.265 1.341 568 HE21 GLN 76 HE21 GLN 76 -14.153 -3.898 2.112 569 HE22 GLN 76 HE22 GLN 76 -13.564 -3.242 3.603 570 H THR 77 HN THR 77 -14.346 -4.045 -1.714 571 HA THR 77 HA THR 77 -11.748 -5.231 -2.390 572 HB THR 77 HB THR 77 -14.458 -6.462 -2.847 573 HG1 THR 77 HG1 THR 77 -14.305 -7.386 -0.855 574 HG21 THR 77 HG21 THR 77 -12.605 -7.419 -4.144 575 HG22 THR 77 HG22 THR 77 -13.198 -8.558 -2.936 576 HG23 THR 77 HG23 THR 77 -11.697 -7.676 -2.653 577 H ALA 78 HN ALA 78 -11.234 -3.706 -3.972 578 HA ALA 78 HA ALA 78 -12.891 -3.777 -6.402 579 HB1 ALA 78 HB1 ALA 78 -10.691 -1.857 -5.650 580 HB2 ALA 78 HB2 ALA 78 -12.423 -1.546 -5.545 581 HB3 ALA 78 HB3 ALA 78 -11.665 -1.787 -7.118 582 H GLY 79 HN GLY 79 -10.404 -5.419 -5.124 583 HA2 GLY 79 HA2 GLY 79 -8.489 -5.474 -7.215 584 HA3 GLY 79 HA1 GLY 79 -8.695 -6.702 -5.974 585 H ALA 80 HN ALA 80 -8.304 -6.716 -9.016 586 HA ALA 80 HA ALA 80 -10.675 -8.311 -9.712 587 HB1 ALA 80 HB1 ALA 80 -8.699 -6.989 -11.563 588 HB2 ALA 80 HB2 ALA 80 -10.290 -6.356 -11.138 589 HB3 ALA 80 HB3 ALA 80 -10.153 -7.867 -12.039 590 H LYS 81 HN LYS 81 -10.485 -10.388 -10.229 591 HA LYS 81 HA LYS 81 -7.881 -11.658 -9.972 592 HB2 LYS 81 HB2 LYS 81 -9.155 -13.762 -10.023 593 HB3 LYS 81 HB1 LYS 81 -9.800 -12.661 -8.814 594 HG2 LYS 81 HG2 LYS 81 -11.625 -12.061 -10.284 595 HG3 LYS 81 HG1 LYS 81 -10.948 -13.060 -11.569 596 HD2 LYS 81 HD2 LYS 81 -11.254 -15.049 -10.173 597 HD3 LYS 81 HD1 LYS 81 -11.943 -14.043 -8.896 598 HE2 LYS 81 HE2 LYS 81 -13.699 -15.126 -10.192 599 HE3 LYS 81 HE1 LYS 81 -13.753 -13.377 -10.396 600 HZ1 LYS 81 HZ1 LYS 81 -14.057 -14.459 -12.503 601 HZ2 LYS 81 HZ2 LYS 81 -12.621 -15.343 -12.320 602 HZ3 LYS 81 HZ3 LYS 81 -12.562 -13.657 -12.510 603 HA PRO 82 HA PRO 82 -7.151 -12.262 -14.326 604 HB2 PRO 82 HB2 PRO 82 -6.564 -15.108 -13.744 605 HB3 PRO 82 HB1 PRO 82 -5.536 -13.876 -14.482 606 HG2 PRO 82 HG2 PRO 82 -5.091 -14.716 -11.987 607 HG3 PRO 82 HG1 PRO 82 -4.873 -13.013 -12.435 608 HD2 PRO 82 HD2 PRO 82 -7.143 -14.316 -10.978 609 HD3 PRO 82 HD1 PRO 82 -6.353 -12.755 -10.668 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 14.557 -5.303 -7.309 2 H2 GLY 1 HT2 GLY 1 14.567 -6.930 -6.831 3 H3 GLY 1 HT3 GLY 1 15.460 -5.790 -5.954 4 HA2 GLY 1 HA1 GLY 1 13.485 -6.322 -4.739 5 HA3 GLY 1 HA2 GLY 1 13.401 -4.663 -5.319 6 HA PRO 2 HA PRO 2 10.377 -7.623 -7.771 7 HB2 PRO 2 HB2 PRO 2 9.024 -9.250 -6.057 8 HB3 PRO 2 HB1 PRO 2 10.493 -9.744 -6.904 9 HG2 PRO 2 HG2 PRO 2 10.162 -8.766 -4.097 10 HG3 PRO 2 HG1 PRO 2 11.158 -10.102 -4.706 11 HD2 PRO 2 HD2 PRO 2 12.194 -7.680 -4.102 12 HD3 PRO 2 HD1 PRO 2 12.841 -8.689 -5.410 13 H GLU 3 HN GLU 3 8.315 -6.991 -8.162 14 HA GLU 3 HA GLU 3 7.166 -5.045 -6.321 15 HB2 GLU 3 HB2 GLU 3 7.411 -4.528 -8.746 16 HB3 GLU 3 HB1 GLU 3 6.295 -5.836 -9.111 17 HG2 GLU 3 HG2 GLU 3 4.568 -4.645 -7.768 18 HG3 GLU 3 HG1 GLU 3 5.696 -3.297 -7.611 19 H HIS 4 HN HIS 4 5.394 -5.387 -5.144 20 HA HIS 4 HA HIS 4 3.826 -7.844 -5.613 21 HB2 HIS 4 HB2 HIS 4 4.498 -6.713 -2.886 22 HB3 HIS 4 HB1 HIS 4 3.656 -8.216 -3.231 23 HD1 HIS 4 HD1 HIS 4 5.212 -10.097 -4.450 24 HD2 HIS 4 HD2 HIS 4 7.185 -6.968 -2.556 25 HE1 HIS 4 HE1 HIS 4 7.552 -10.917 -4.057 26 HE2 HIS 4 HE2 HIS 4 8.664 -9.091 -2.717 27 H ARG 5 HN ARG 5 1.586 -7.659 -5.069 28 HA ARG 5 HA ARG 5 0.694 -4.876 -4.793 29 HB2 ARG 5 HB2 ARG 5 -0.753 -7.303 -5.852 30 HB3 ARG 5 HB1 ARG 5 -1.535 -5.750 -5.554 31 HG2 ARG 5 HG2 ARG 5 0.067 -4.712 -7.146 32 HG3 ARG 5 HG1 ARG 5 0.703 -6.318 -7.494 33 HD2 ARG 5 HD2 ARG 5 -1.543 -7.008 -8.250 34 HD3 ARG 5 HD1 ARG 5 -2.114 -5.361 -7.968 35 HE ARG 5 HE ARG 5 0.176 -5.653 -9.746 36 HH11 ARG 5 HH11 ARG 5 -3.319 -5.334 -9.499 37 HH12 ARG 5 HH12 ARG 5 -3.479 -4.670 -11.098 38 HH21 ARG 5 HH21 ARG 5 -0.070 -4.803 -11.850 39 HH22 ARG 5 HH22 ARG 5 -1.658 -4.377 -12.423 40 H ALA 6 HN ALA 6 -0.957 -4.339 -3.351 41 HA ALA 6 HA ALA 6 -1.968 -6.323 -1.506 42 HB1 ALA 6 HB1 ALA 6 -0.193 -4.087 -0.518 43 HB2 ALA 6 HB2 ALA 6 0.181 -5.811 -0.475 44 HB3 ALA 6 HB3 ALA 6 -1.141 -5.172 0.501 45 H VAL 7 HN VAL 7 -3.767 -5.557 -0.330 46 HA VAL 7 HA VAL 7 -4.593 -2.809 -1.014 47 HB VAL 7 HB VAL 7 -6.954 -3.535 -0.865 48 HG11 VAL 7 HG11 VAL 7 -7.026 -4.715 -3.027 49 HG12 VAL 7 HG12 VAL 7 -5.284 -4.970 -2.922 50 HG13 VAL 7 HG13 VAL 7 -5.933 -3.332 -3.034 51 HG21 VAL 7 HG21 VAL 7 -7.494 -5.928 -0.982 52 HG22 VAL 7 HG22 VAL 7 -6.703 -5.496 0.533 53 HG23 VAL 7 HG23 VAL 7 -5.790 -6.312 -0.736 54 H GLY 8 HN GLY 8 -5.913 -1.725 0.600 55 HA2 GLY 8 HA2 GLY 8 -6.604 -2.784 3.072 56 HA3 GLY 8 HA1 GLY 8 -4.978 -2.144 3.241 57 H ARG 9 HN ARG 9 -5.450 -0.481 4.587 58 HA ARG 9 HA ARG 9 -7.195 1.643 3.531 59 HB2 ARG 9 HB2 ARG 9 -8.308 0.323 5.373 60 HB3 ARG 9 HB1 ARG 9 -7.015 0.841 6.444 61 HG2 ARG 9 HG2 ARG 9 -7.708 3.228 5.775 62 HG3 ARG 9 HG1 ARG 9 -9.191 2.468 5.198 63 HD2 ARG 9 HD2 ARG 9 -8.090 2.470 8.000 64 HD3 ARG 9 HD1 ARG 9 -9.582 3.211 7.429 65 HE ARG 9 HE ARG 9 -9.422 0.340 7.084 66 HH11 ARG 9 HH11 ARG 9 -10.486 2.992 9.116 67 HH12 ARG 9 HH12 ARG 9 -11.581 2.013 10.032 68 HH21 ARG 9 HH21 ARG 9 -10.865 -0.941 8.276 69 HH22 ARG 9 HH22 ARG 9 -11.808 -0.229 9.544 70 H ILE 10 HN ILE 10 -6.390 3.662 3.707 71 HA ILE 10 HA ILE 10 -3.639 3.968 4.407 72 HB ILE 10 HB ILE 10 -5.704 6.141 4.020 73 HG12 ILE 10 HG12 ILE 10 -5.513 4.726 2.031 74 HG13 ILE 10 HG11 ILE 10 -4.785 6.305 1.736 75 HG21 ILE 10 HG21 ILE 10 -2.691 6.231 3.943 76 HG22 ILE 10 HG22 ILE 10 -3.716 6.884 5.220 77 HG23 ILE 10 HG23 ILE 10 -3.773 7.581 3.601 78 HD11 ILE 10 HD11 ILE 10 -3.420 4.554 0.805 79 HD12 ILE 10 HD12 ILE 10 -3.329 3.752 2.373 80 HD13 ILE 10 HD13 ILE 10 -2.570 5.330 2.141 81 H GLN 11 HN GLN 11 -2.841 4.072 6.366 82 HA GLN 11 HA GLN 11 -4.578 4.566 8.623 83 HB2 GLN 11 HB2 GLN 11 -2.761 2.796 8.547 84 HB3 GLN 11 HB1 GLN 11 -1.594 4.106 8.647 85 HG2 GLN 11 HG2 GLN 11 -1.928 3.160 10.816 86 HG3 GLN 11 HG1 GLN 11 -2.589 4.795 10.788 87 HE21 GLN 11 HE21 GLN 11 -4.133 2.022 9.342 88 HE22 GLN 11 HE22 GLN 11 -5.472 1.941 10.430 89 H SER 12 HN SER 12 -1.630 5.976 7.238 90 HA SER 12 HA SER 12 -2.502 8.645 7.875 91 HB2 SER 12 HB2 SER 12 0.014 7.596 9.191 92 HB3 SER 12 HB1 SER 12 -0.623 9.236 9.298 93 HG SER 12 HG SER 12 -2.564 7.613 10.047 94 H ILE 13 HN ILE 13 -1.544 10.124 6.530 95 HA ILE 13 HA ILE 13 0.504 9.171 4.678 96 HB ILE 13 HB ILE 13 -1.107 11.731 4.815 97 HG12 ILE 13 HG12 ILE 13 -0.959 9.510 2.763 98 HG13 ILE 13 HG11 ILE 13 -2.247 9.735 3.936 99 HG21 ILE 13 HG21 ILE 13 -0.002 12.443 2.755 100 HG22 ILE 13 HG22 ILE 13 1.065 11.040 2.835 101 HG23 ILE 13 HG23 ILE 13 1.154 12.289 4.077 102 HD11 ILE 13 HD11 ILE 13 -1.541 11.637 1.717 103 HD12 ILE 13 HD12 ILE 13 -2.853 11.843 2.879 104 HD13 ILE 13 HD13 ILE 13 -2.895 10.508 1.725 105 H GLY 14 HN GLY 14 2.605 9.754 4.810 106 HA2 GLY 14 HA2 GLY 14 3.374 11.436 7.109 107 HA3 GLY 14 HA1 GLY 14 4.317 10.089 6.505 108 H GLU 15 HN GLU 15 6.059 11.593 6.508 109 HA GLU 15 HA GLU 15 6.059 13.952 4.948 110 HB2 GLU 15 HB2 GLU 15 8.551 13.837 5.331 111 HB3 GLU 15 HB1 GLU 15 7.558 13.811 6.784 112 HG2 GLU 15 HG2 GLU 15 7.790 11.315 6.783 113 HG3 GLU 15 HG1 GLU 15 8.967 11.495 5.481 114 H ARG 16 HN ARG 16 7.245 10.681 4.331 115 HA ARG 16 HA ARG 16 7.341 11.274 1.474 116 HB2 ARG 16 HB2 ARG 16 9.581 9.892 1.481 117 HB3 ARG 16 HB1 ARG 16 9.594 11.623 1.727 118 HG2 ARG 16 HG2 ARG 16 11.097 10.663 3.294 119 HG3 ARG 16 HG1 ARG 16 9.677 11.180 4.199 120 HD2 ARG 16 HD2 ARG 16 8.841 8.891 4.223 121 HD3 ARG 16 HD1 ARG 16 10.224 8.362 3.267 122 HE ARG 16 HE ARG 16 11.372 9.500 5.447 123 HH11 ARG 16 HH11 ARG 16 8.895 7.057 5.052 124 HH12 ARG 16 HH12 ARG 16 9.331 6.192 6.494 125 HH21 ARG 16 HH21 ARG 16 11.936 8.371 7.365 126 HH22 ARG 16 HH22 ARG 16 11.053 6.935 7.801 127 H SER 17 HN SER 17 5.849 9.653 3.490 128 HA SER 17 HA SER 17 5.660 7.217 1.994 129 HB2 SER 17 HB2 SER 17 6.013 5.911 4.231 130 HB3 SER 17 HB1 SER 17 7.432 6.428 3.313 131 HG SER 17 HG SER 17 6.720 7.092 5.818 132 H LEU 18 HN LEU 18 3.822 5.881 2.893 133 HA LEU 18 HA LEU 18 2.221 7.362 4.863 134 HB2 LEU 18 HB2 LEU 18 0.556 5.850 3.028 135 HB3 LEU 18 HB1 LEU 18 0.364 7.476 3.624 136 HG LEU 18 HG LEU 18 2.262 6.844 1.372 137 HD11 LEU 18 HD11 LEU 18 -0.658 7.574 1.169 138 HD12 LEU 18 HD12 LEU 18 0.056 6.025 0.722 139 HD13 LEU 18 HD13 LEU 18 0.478 7.483 -0.176 140 HD21 LEU 18 HD21 LEU 18 0.827 9.347 2.250 141 HD22 LEU 18 HD22 LEU 18 1.853 9.210 0.822 142 HD23 LEU 18 HD23 LEU 18 2.550 9.007 2.432 143 H ILE 19 HN ILE 19 1.539 6.130 6.488 144 HA ILE 19 HA ILE 19 2.256 3.337 6.526 145 HB ILE 19 HB ILE 19 0.690 4.897 8.602 146 HG12 ILE 19 HG12 ILE 19 2.979 4.692 9.834 147 HG13 ILE 19 HG11 ILE 19 3.644 4.469 8.222 148 HG21 ILE 19 HG21 ILE 19 1.419 3.068 10.117 149 HG22 ILE 19 HG22 ILE 19 2.067 2.215 8.714 150 HG23 ILE 19 HG23 ILE 19 0.334 2.533 8.833 151 HD11 ILE 19 HD11 ILE 19 2.087 6.865 9.170 152 HD12 ILE 19 HD12 ILE 19 2.767 6.647 7.557 153 HD13 ILE 19 HD13 ILE 19 3.835 6.776 8.956 154 H ILE 20 HN ILE 20 0.949 1.695 5.959 155 HA ILE 20 HA ILE 20 -1.909 2.309 5.575 156 HB ILE 20 HB ILE 20 -0.161 0.666 3.732 157 HG12 ILE 20 HG12 ILE 20 -1.477 3.353 3.258 158 HG13 ILE 20 HG11 ILE 20 0.236 3.123 3.597 159 HG21 ILE 20 HG21 ILE 20 -2.140 0.585 2.279 160 HG22 ILE 20 HG22 ILE 20 -3.072 1.424 3.517 161 HG23 ILE 20 HG23 ILE 20 -2.435 -0.188 3.837 162 HD11 ILE 20 HD11 ILE 20 -0.160 3.452 1.226 163 HD12 ILE 20 HD12 ILE 20 -1.253 2.068 1.203 164 HD13 ILE 20 HD13 ILE 20 0.463 1.830 1.535 165 H ALA 21 HN ALA 21 -3.155 1.010 6.758 166 HA ALA 21 HA ALA 21 -2.307 -1.514 7.782 167 HB1 ALA 21 HB1 ALA 21 -4.053 -0.238 8.905 168 HB2 ALA 21 HB2 ALA 21 -4.663 -1.818 8.407 169 HB3 ALA 21 HB3 ALA 21 -5.086 -0.377 7.483 170 H HIS 22 HN HIS 22 -1.666 -2.888 6.182 171 HA HIS 22 HA HIS 22 -3.464 -3.298 3.903 172 HB2 HIS 22 HB2 HIS 22 -1.537 -4.392 2.806 173 HB3 HIS 22 HB1 HIS 22 -1.169 -2.741 3.292 174 HD1 HIS 22 HD1 HIS 22 -0.509 -6.323 4.380 175 HD2 HIS 22 HD2 HIS 22 1.008 -2.483 4.926 176 HE1 HIS 22 HE1 HIS 22 1.651 -6.616 5.638 177 HE2 HIS 22 HE2 HIS 22 2.609 -4.294 5.844 178 H GLU 23 HN GLU 23 -3.977 -5.385 3.208 179 HA GLU 23 HA GLU 23 -4.436 -7.299 5.232 180 HB2 GLU 23 HB2 GLU 23 -5.126 -8.744 3.254 181 HB3 GLU 23 HB1 GLU 23 -6.020 -7.267 3.557 182 HG2 GLU 23 HG2 GLU 23 -5.760 -7.272 1.312 183 HG3 GLU 23 HG1 GLU 23 -4.490 -6.193 1.848 184 H ALA 24 HN ALA 24 -3.836 -9.741 3.886 185 HA ALA 24 HA ALA 24 -1.273 -10.081 5.078 186 HB1 ALA 24 HB1 ALA 24 -2.817 -12.107 3.480 187 HB2 ALA 24 HB2 ALA 24 -3.089 -11.756 5.187 188 HB3 ALA 24 HB3 ALA 24 -1.540 -12.413 4.660 189 H ILE 25 HN ILE 25 -2.217 -9.336 1.878 190 HA ILE 25 HA ILE 25 -1.018 -9.002 -0.021 191 HB ILE 25 HB ILE 25 1.457 -9.406 1.674 192 HG12 ILE 25 HG12 ILE 25 -0.052 -6.860 1.025 193 HG13 ILE 25 HG11 ILE 25 0.041 -7.632 2.607 194 HG21 ILE 25 HG21 ILE 25 1.909 -9.544 -0.706 195 HG22 ILE 25 HG22 ILE 25 2.543 -8.028 -0.065 196 HG23 ILE 25 HG23 ILE 25 1.039 -8.035 -0.984 197 HD11 ILE 25 HD11 ILE 25 2.338 -6.427 1.077 198 HD12 ILE 25 HD12 ILE 25 2.454 -7.221 2.648 199 HD13 ILE 25 HD13 ILE 25 1.530 -5.729 2.481 200 HA PRO 26 HA PRO 26 -0.649 -13.553 -0.551 201 HB2 PRO 26 HB2 PRO 26 -1.938 -13.600 -2.951 202 HB3 PRO 26 HB1 PRO 26 -2.781 -13.651 -1.398 203 HG2 PRO 26 HG2 PRO 26 -2.313 -11.329 -3.228 204 HG3 PRO 26 HG1 PRO 26 -3.779 -11.773 -2.334 205 HD2 PRO 26 HD2 PRO 26 -2.094 -9.835 -1.488 206 HD3 PRO 26 HD1 PRO 26 -3.003 -10.866 -0.361 207 H SER 27 HN SER 27 0.497 -10.830 -2.209 208 HA SER 27 HA SER 27 1.905 -12.313 -4.263 209 HB2 SER 27 HB2 SER 27 2.129 -9.380 -3.558 210 HB3 SER 27 HB1 SER 27 2.652 -10.157 -5.052 211 HG SER 27 HG SER 27 0.245 -10.813 -5.067 212 H ALA 28 HN ALA 28 2.497 -11.252 -1.042 213 HA ALA 28 HA ALA 28 5.378 -11.768 -1.425 214 HB1 ALA 28 HB1 ALA 28 5.875 -10.113 0.289 215 HB2 ALA 28 HB2 ALA 28 4.155 -9.768 0.469 216 HB3 ALA 28 HB3 ALA 28 4.976 -9.389 -1.046 217 H GLN 29 HN GLN 29 2.614 -12.873 0.018 218 HA GLN 29 HA GLN 29 2.115 -14.308 1.690 219 HB2 GLN 29 HB2 GLN 29 5.021 -15.024 1.375 220 HB3 GLN 29 HB1 GLN 29 3.921 -15.901 2.422 221 HG2 GLN 29 HG2 GLN 29 3.993 -17.165 0.471 222 HG3 GLN 29 HG1 GLN 29 2.490 -16.256 0.343 223 HE21 GLN 29 HE21 GLN 29 2.391 -16.386 -1.878 224 HE22 GLN 29 HE22 GLN 29 3.483 -15.540 -2.918 225 H TRP 30 HN TRP 30 1.920 -12.141 2.769 226 HA TRP 30 HA TRP 30 3.706 -11.952 5.105 227 HB2 TRP 30 HB2 TRP 30 2.354 -9.836 3.455 228 HB3 TRP 30 HB1 TRP 30 2.742 -9.522 5.143 229 HD1 TRP 30 HD1 TRP 30 5.248 -11.595 3.190 230 HE1 TRP 30 HE1 TRP 30 7.354 -10.183 2.751 231 HE3 TRP 30 HE3 TRP 30 3.497 -7.051 4.741 232 HZ2 TRP 30 HZ2 TRP 30 8.159 -7.490 3.038 233 HZ3 TRP 30 HZ3 TRP 30 4.996 -5.105 4.627 234 HH2 TRP 30 HH2 TRP 30 7.280 -5.320 3.794 235 H GLY 31 HN GLY 31 2.527 -10.749 6.950 236 HA2 GLY 31 HA2 GLY 31 -0.182 -11.843 7.211 237 HA3 GLY 31 HA1 GLY 31 0.818 -11.277 8.539 238 H ALA 32 HN ALA 32 -1.855 -10.480 8.101 239 HA ALA 32 HA ALA 32 -1.974 -7.909 6.876 240 HB1 ALA 32 HB1 ALA 32 -3.829 -9.204 8.876 241 HB2 ALA 32 HB2 ALA 32 -3.975 -9.270 7.120 242 HB3 ALA 32 HB3 ALA 32 -4.172 -7.734 7.964 243 H MET 33 HN MET 33 -1.440 -5.991 7.685 244 HA MET 33 HA MET 33 -1.336 -5.318 10.422 245 HB2 MET 33 HB2 MET 33 1.266 -5.054 10.389 246 HB3 MET 33 HB1 MET 33 0.547 -6.597 10.825 247 HG2 MET 33 HG2 MET 33 1.010 -7.515 8.692 248 HG3 MET 33 HG1 MET 33 1.470 -5.950 8.042 249 HE1 MET 33 HE1 MET 33 3.651 -7.248 7.073 250 HE2 MET 33 HE2 MET 33 3.140 -8.736 7.869 251 HE3 MET 33 HE3 MET 33 4.780 -8.130 8.101 252 H THR 34 HN THR 34 -0.701 -3.206 10.811 253 HA THR 34 HA THR 34 -0.895 -1.462 8.525 254 HB THR 34 HB THR 34 -0.438 -0.731 11.425 255 HG1 THR 34 HG1 THR 34 -2.359 -1.668 11.589 256 HG21 THR 34 HG21 THR 34 -1.635 0.818 9.128 257 HG22 THR 34 HG22 THR 34 -0.034 1.075 9.820 258 HG23 THR 34 HG23 THR 34 -1.474 1.390 10.789 259 H MET 35 HN MET 35 0.887 -1.196 7.333 260 HA MET 35 HA MET 35 3.402 -0.612 8.733 261 HB2 MET 35 HB2 MET 35 3.511 -2.923 7.955 262 HB3 MET 35 HB1 MET 35 3.096 -2.414 6.325 263 HG2 MET 35 HG2 MET 35 5.171 -1.350 6.017 264 HG3 MET 35 HG1 MET 35 5.551 -1.420 7.738 265 HE1 MET 35 HE1 MET 35 6.338 -3.555 9.008 266 HE2 MET 35 HE2 MET 35 6.261 -5.182 8.326 267 HE3 MET 35 HE3 MET 35 4.777 -4.267 8.601 268 H GLU 36 HN GLU 36 4.790 0.798 7.739 269 HA GLU 36 HA GLU 36 3.556 2.783 6.088 270 HB2 GLU 36 HB2 GLU 36 5.032 3.461 7.859 271 HB3 GLU 36 HB1 GLU 36 6.333 2.462 7.228 272 HG2 GLU 36 HG2 GLU 36 6.499 3.883 5.270 273 HG3 GLU 36 HG1 GLU 36 5.164 4.872 5.858 274 H PHE 37 HN PHE 37 3.834 3.198 3.977 275 HA PHE 37 HA PHE 37 5.840 1.622 2.488 276 HB2 PHE 37 HB2 PHE 37 3.119 2.600 1.591 277 HB3 PHE 37 HB1 PHE 37 4.326 1.922 0.500 278 HD1 PHE 37 HD1 PHE 37 1.980 1.198 3.217 279 HD2 PHE 37 HD2 PHE 37 4.812 -0.430 0.494 280 HE1 PHE 37 HE1 PHE 37 1.177 -1.065 3.745 281 HE2 PHE 37 HE2 PHE 37 4.011 -2.696 1.010 282 HZ PHE 37 HZ PHE 37 2.189 -3.017 2.638 283 H ALA 38 HN ALA 38 7.312 2.731 1.390 284 HA ALA 38 HA ALA 38 7.470 5.566 1.838 285 HB1 ALA 38 HB1 ALA 38 9.669 5.404 0.806 286 HB2 ALA 38 HB2 ALA 38 9.319 3.753 0.291 287 HB3 ALA 38 HB3 ALA 38 9.453 4.133 2.009 288 H ALA 39 HN ALA 39 7.489 7.203 0.278 289 HA ALA 39 HA ALA 39 5.905 6.534 -2.078 290 HB1 ALA 39 HB1 ALA 39 5.567 8.936 -2.275 291 HB2 ALA 39 HB2 ALA 39 6.718 9.219 -0.970 292 HB3 ALA 39 HB3 ALA 39 5.198 8.388 -0.641 293 HA PRO 40 HA PRO 40 9.350 7.013 -4.890 294 HB2 PRO 40 HB2 PRO 40 7.959 7.709 -7.119 295 HB3 PRO 40 HB1 PRO 40 8.024 6.050 -6.513 296 HG2 PRO 40 HG2 PRO 40 5.878 8.108 -6.177 297 HG3 PRO 40 HG1 PRO 40 5.725 6.377 -6.529 298 HD2 PRO 40 HD2 PRO 40 5.357 7.405 -4.048 299 HD3 PRO 40 HD1 PRO 40 6.002 5.776 -4.323 300 HA PRO 41 HA PRO 41 10.441 11.285 -4.868 301 HB2 PRO 41 HB2 PRO 41 11.508 11.574 -7.421 302 HB3 PRO 41 HB1 PRO 41 12.384 10.970 -6.012 303 HG2 PRO 41 HG2 PRO 41 11.076 9.459 -8.226 304 HG3 PRO 41 HG1 PRO 41 12.598 9.121 -7.379 305 HD2 PRO 41 HD2 PRO 41 10.364 7.737 -6.847 306 HD3 PRO 41 HD1 PRO 41 11.515 8.161 -5.562 307 H ALA 42 HN ALA 42 8.434 10.059 -7.413 308 HA ALA 42 HA ALA 42 7.729 12.488 -8.652 309 HB1 ALA 42 HB1 ALA 42 7.374 10.274 -9.663 310 HB2 ALA 42 HB2 ALA 42 5.906 11.251 -9.647 311 HB3 ALA 42 HB3 ALA 42 6.112 9.950 -8.473 312 H GLY 43 HN GLY 43 6.318 10.710 -5.927 313 HA2 GLY 43 HA2 GLY 43 5.311 12.084 -4.161 314 HA3 GLY 43 HA1 GLY 43 4.573 13.033 -5.443 315 H LEU 44 HN LEU 44 2.817 12.280 -3.743 316 HA LEU 44 HA LEU 44 1.649 9.730 -4.620 317 HB2 LEU 44 HB2 LEU 44 0.928 11.458 -2.248 318 HB3 LEU 44 HB1 LEU 44 0.142 9.958 -2.670 319 HG LEU 44 HG LEU 44 1.555 9.387 -0.915 320 HD11 LEU 44 HD11 LEU 44 3.072 8.757 -3.437 321 HD12 LEU 44 HD12 LEU 44 1.755 7.818 -2.736 322 HD13 LEU 44 HD13 LEU 44 3.291 7.956 -1.880 323 HD21 LEU 44 HD21 LEU 44 3.775 10.954 -2.223 324 HD22 LEU 44 HD22 LEU 44 3.890 10.053 -0.708 325 HD23 LEU 44 HD23 LEU 44 2.836 11.462 -0.820 326 HA PRO 45 HA PRO 45 -1.666 11.882 -6.740 327 HB2 PRO 45 HB2 PRO 45 -3.347 9.569 -6.129 328 HB3 PRO 45 HB1 PRO 45 -2.780 10.156 -7.694 329 HG2 PRO 45 HG2 PRO 45 -1.870 7.864 -6.586 330 HG3 PRO 45 HG1 PRO 45 -0.862 8.892 -7.622 331 HD2 PRO 45 HD2 PRO 45 -0.896 8.664 -4.636 332 HD3 PRO 45 HD1 PRO 45 0.482 8.828 -5.743 333 H GLN 46 HN GLN 46 -4.315 11.593 -6.230 334 HA GLN 46 HA GLN 46 -4.588 12.597 -3.478 335 HB2 GLN 46 HB2 GLN 46 -6.365 13.233 -5.843 336 HB3 GLN 46 HB1 GLN 46 -6.476 13.927 -4.237 337 HG2 GLN 46 HG2 GLN 46 -5.455 15.588 -5.482 338 HG3 GLN 46 HG1 GLN 46 -4.106 14.803 -4.664 339 HE21 GLN 46 HE21 GLN 46 -5.775 13.321 -7.343 340 HE22 GLN 46 HE22 GLN 46 -4.485 13.492 -8.497 341 H GLY 47 HN GLY 47 -6.498 12.039 -2.331 342 HA2 GLY 47 HA2 GLY 47 -8.533 10.909 -2.012 343 HA3 GLY 47 HA1 GLY 47 -8.282 10.085 -3.546 344 H LEU 48 HN LEU 48 -5.765 10.255 -1.172 345 HA LEU 48 HA LEU 48 -6.282 7.512 -0.320 346 HB2 LEU 48 HB2 LEU 48 -3.733 7.221 -0.667 347 HB3 LEU 48 HB1 LEU 48 -4.818 7.070 -2.030 348 HG LEU 48 HG LEU 48 -4.266 9.583 -2.423 349 HD11 LEU 48 HD11 LEU 48 -1.991 10.195 -1.761 350 HD12 LEU 48 HD12 LEU 48 -1.882 8.720 -0.799 351 HD13 LEU 48 HD13 LEU 48 -3.045 9.972 -0.364 352 HD21 LEU 48 HD21 LEU 48 -2.371 8.931 -3.821 353 HD22 LEU 48 HD22 LEU 48 -3.706 7.785 -3.942 354 HD23 LEU 48 HD23 LEU 48 -2.288 7.385 -2.973 355 H LYS 49 HN LYS 49 -6.797 9.671 1.294 356 HA LYS 49 HA LYS 49 -4.428 9.981 2.999 357 HB2 LYS 49 HB2 LYS 49 -5.729 11.731 4.162 358 HB3 LYS 49 HB1 LYS 49 -5.528 12.062 2.449 359 HG2 LYS 49 HG2 LYS 49 -7.791 11.368 2.005 360 HG3 LYS 49 HG1 LYS 49 -8.003 10.881 3.688 361 HD2 LYS 49 HD2 LYS 49 -9.020 13.068 3.228 362 HD3 LYS 49 HD1 LYS 49 -7.720 13.181 4.416 363 HE2 LYS 49 HE2 LYS 49 -6.201 14.003 2.719 364 HE3 LYS 49 HE1 LYS 49 -7.433 13.798 1.475 365 HZ1 LYS 49 HZ1 LYS 49 -7.744 15.605 3.811 366 HZ2 LYS 49 HZ2 LYS 49 -8.743 15.508 2.441 367 HZ3 LYS 49 HZ3 LYS 49 -7.165 16.109 2.302 368 H ALA 50 HN ALA 50 -5.045 10.089 5.447 369 HA ALA 50 HA ALA 50 -5.529 7.573 6.373 370 HB1 ALA 50 HB1 ALA 50 -6.219 10.143 7.797 371 HB2 ALA 50 HB2 ALA 50 -4.628 9.384 7.739 372 HB3 ALA 50 HB3 ALA 50 -5.960 8.571 8.558 373 H GLY 51 HN GLY 51 -7.188 6.273 6.140 374 HA2 GLY 51 HA2 GLY 51 -9.454 5.811 6.958 375 HA3 GLY 51 HA1 GLY 51 -9.900 7.412 6.390 376 H ASP 52 HN ASP 52 -8.142 6.871 3.934 377 HA ASP 52 HA ASP 52 -10.295 5.798 2.343 378 HB2 ASP 52 HB2 ASP 52 -7.571 6.888 1.678 379 HB3 ASP 52 HB1 ASP 52 -8.535 6.065 0.464 380 H ARG 53 HN ARG 53 -10.433 3.828 1.441 381 HA ARG 53 HA ARG 53 -8.324 1.907 2.020 382 HB2 ARG 53 HB2 ARG 53 -11.147 1.737 1.134 383 HB3 ARG 53 HB1 ARG 53 -10.071 0.414 0.734 384 HG2 ARG 53 HG2 ARG 53 -9.519 0.359 3.230 385 HG3 ARG 53 HG1 ARG 53 -10.942 1.386 3.433 386 HD2 ARG 53 HD2 ARG 53 -12.283 -0.316 2.238 387 HD3 ARG 53 HD1 ARG 53 -10.861 -1.352 2.173 388 HE ARG 53 HE ARG 53 -12.002 -0.469 4.746 389 HH11 ARG 53 HH11 ARG 53 -10.902 -3.009 2.585 390 HH12 ARG 53 HH12 ARG 53 -11.146 -4.285 3.742 391 HH21 ARG 53 HH21 ARG 53 -12.392 -2.149 6.251 392 HH22 ARG 53 HH22 ARG 53 -12.030 -3.800 5.817 393 H VAL 54 HN VAL 54 -6.836 1.432 0.553 394 HA VAL 54 HA VAL 54 -7.346 2.211 -2.236 395 HB VAL 54 HB VAL 54 -4.890 2.809 -2.358 396 HG11 VAL 54 HG11 VAL 54 -6.645 4.514 -2.219 397 HG12 VAL 54 HG12 VAL 54 -5.194 5.013 -1.348 398 HG13 VAL 54 HG13 VAL 54 -6.599 4.423 -0.459 399 HG21 VAL 54 HG21 VAL 54 -4.204 1.583 -0.346 400 HG22 VAL 54 HG22 VAL 54 -5.140 2.705 0.648 401 HG23 VAL 54 HG23 VAL 54 -3.745 3.286 -0.264 402 H ALA 55 HN ALA 55 -6.377 1.017 -3.835 403 HA ALA 55 HA ALA 55 -5.201 -1.566 -3.038 404 HB1 ALA 55 HB1 ALA 55 -7.287 -1.707 -4.356 405 HB2 ALA 55 HB2 ALA 55 -5.908 -2.390 -5.220 406 HB3 ALA 55 HB3 ALA 55 -6.514 -0.789 -5.648 407 H PHE 56 HN PHE 56 -3.055 -1.859 -3.497 408 HA PHE 56 HA PHE 56 -1.821 0.043 -5.343 409 HB2 PHE 56 HB2 PHE 56 -0.139 0.689 -3.649 410 HB3 PHE 56 HB1 PHE 56 -1.768 1.189 -3.227 411 HD1 PHE 56 HD1 PHE 56 -2.933 0.209 -1.348 412 HD2 PHE 56 HD2 PHE 56 1.016 -1.007 -2.364 413 HE1 PHE 56 HE1 PHE 56 -2.699 -0.868 0.856 414 HE2 PHE 56 HE2 PHE 56 1.251 -2.089 -0.171 415 HZ PHE 56 HZ PHE 56 -0.607 -2.018 1.443 416 H SER 57 HN SER 57 0.527 -0.315 -5.593 417 HA SER 57 HA SER 57 1.381 -3.066 -5.022 418 HB2 SER 57 HB2 SER 57 2.536 -3.061 -7.255 419 HB3 SER 57 HB1 SER 57 0.777 -3.076 -7.358 420 HG SER 57 HG SER 57 1.826 -1.559 -8.792 421 H PHE 58 HN PHE 58 3.598 -3.290 -4.575 422 HA PHE 58 HA PHE 58 5.187 -0.837 -4.438 423 HB2 PHE 58 HB2 PHE 58 5.737 -1.175 -2.085 424 HB3 PHE 58 HB1 PHE 58 3.997 -0.995 -2.275 425 HD1 PHE 58 HD1 PHE 58 2.536 -3.008 -2.145 426 HD2 PHE 58 HD2 PHE 58 6.679 -3.138 -1.180 427 HE1 PHE 58 HE1 PHE 58 2.186 -5.123 -0.942 428 HE2 PHE 58 HE2 PHE 58 6.336 -5.256 0.022 429 HZ PHE 58 HZ PHE 58 4.084 -6.251 0.141 430 H ARG 59 HN ARG 59 7.457 -1.232 -4.077 431 HA ARG 59 HA ARG 59 8.267 -3.962 -4.839 432 HB2 ARG 59 HB2 ARG 59 9.738 -1.338 -5.181 433 HB3 ARG 59 HB1 ARG 59 10.392 -2.915 -5.598 434 HG2 ARG 59 HG2 ARG 59 8.635 -3.223 -7.254 435 HG3 ARG 59 HG1 ARG 59 7.953 -1.654 -6.829 436 HD2 ARG 59 HD2 ARG 59 10.687 -2.160 -7.994 437 HD3 ARG 59 HD1 ARG 59 9.297 -1.494 -8.848 438 HE ARG 59 HE ARG 59 10.810 -0.147 -6.707 439 HH11 ARG 59 HH11 ARG 59 8.616 -0.034 -9.448 440 HH12 ARG 59 HH12 ARG 59 8.599 1.706 -9.527 441 HH21 ARG 59 HH21 ARG 59 10.795 2.152 -6.822 442 HH22 ARG 59 HH22 ARG 59 9.837 2.943 -8.043 443 H LEU 60 HN LEU 60 9.727 -5.073 -3.606 444 HA LEU 60 HA LEU 60 10.402 -3.849 -1.019 445 HB2 LEU 60 HB2 LEU 60 9.936 -6.646 -1.916 446 HB3 LEU 60 HB1 LEU 60 11.034 -6.377 -0.580 447 HG LEU 60 HG LEU 60 8.136 -5.544 -0.671 448 HD11 LEU 60 HD11 LEU 60 8.466 -7.956 -0.449 449 HD12 LEU 60 HD12 LEU 60 7.850 -7.248 1.045 450 HD13 LEU 60 HD13 LEU 60 9.555 -7.677 0.912 451 HD21 LEU 60 HD21 LEU 60 9.439 -3.970 0.628 452 HD22 LEU 60 HD22 LEU 60 10.216 -5.291 1.499 453 HD23 LEU 60 HD23 LEU 60 8.489 -4.992 1.708 454 H ASP 61 HN ASP 61 12.402 -3.181 -0.716 455 HA ASP 61 HA ASP 61 14.556 -4.108 -2.414 456 HB2 ASP 61 HB2 ASP 61 14.601 -2.214 -0.058 457 HB3 ASP 61 HB1 ASP 61 15.989 -2.595 -1.050 458 HA PRO 62 HA PRO 62 16.087 -7.263 0.167 459 HB2 PRO 62 HB2 PRO 62 18.863 -6.394 -0.026 460 HB3 PRO 62 HB1 PRO 62 18.073 -7.759 -0.818 461 HG2 PRO 62 HG2 PRO 62 18.920 -5.567 -2.172 462 HG3 PRO 62 HG1 PRO 62 17.516 -6.525 -2.676 463 HD2 PRO 62 HD2 PRO 62 17.593 -3.934 -1.160 464 HD3 PRO 62 HD1 PRO 62 16.526 -4.419 -2.492 465 H HIS 63 HN HIS 63 16.221 -4.161 1.195 466 HA HIS 63 HA HIS 63 17.707 -4.664 3.663 467 HB2 HIS 63 HB2 HIS 63 17.819 -2.511 2.232 468 HB3 HIS 63 HB1 HIS 63 16.264 -2.124 2.944 469 HD1 HIS 63 HD1 HIS 63 16.222 -1.492 5.470 470 HD2 HIS 63 HD2 HIS 63 20.017 -2.284 3.955 471 HE1 HIS 63 HE1 HIS 63 17.835 -0.612 7.184 472 HE2 HIS 63 HE2 HIS 63 20.127 -1.046 6.227 473 H GLY 64 HN GLY 64 14.605 -4.853 2.421 474 HA2 GLY 64 HA2 GLY 64 12.692 -5.561 3.641 475 HA3 GLY 64 HA1 GLY 64 13.420 -4.910 5.106 476 H MET 65 HN MET 65 13.415 -3.124 2.147 477 HA MET 65 HA MET 65 11.708 -1.108 3.406 478 HB2 MET 65 HB2 MET 65 13.691 -0.950 1.137 479 HB3 MET 65 HB1 MET 65 12.580 0.359 1.518 480 HG2 MET 65 HG2 MET 65 14.577 -0.792 3.445 481 HG3 MET 65 HG1 MET 65 14.850 0.646 2.461 482 HE1 MET 65 HE1 MET 65 12.114 3.090 3.866 483 HE2 MET 65 HE2 MET 65 11.910 1.962 2.525 484 HE3 MET 65 HE3 MET 65 13.411 2.874 2.691 485 H ALA 66 HN ALA 66 9.867 -0.391 2.470 486 HA ALA 66 HA ALA 66 8.920 -1.927 0.148 487 HB1 ALA 66 HB1 ALA 66 7.789 -2.656 2.185 488 HB2 ALA 66 HB2 ALA 66 6.665 -1.819 1.113 489 HB3 ALA 66 HB3 ALA 66 7.313 -0.992 2.530 490 H THR 67 HN THR 67 9.035 -0.546 -1.490 491 HA THR 67 HA THR 67 8.271 2.241 -0.993 492 HB THR 67 HB THR 67 9.615 1.394 -3.528 493 HG1 THR 67 HG1 THR 67 11.224 0.655 -2.354 494 HG21 THR 67 HG21 THR 67 10.599 3.634 -3.309 495 HG22 THR 67 HG22 THR 67 9.781 3.834 -1.758 496 HG23 THR 67 HG23 THR 67 8.836 3.698 -3.241 497 H LEU 68 HN LEU 68 6.453 2.948 -1.719 498 HA LEU 68 HA LEU 68 4.594 1.283 -3.062 499 HB2 LEU 68 HB2 LEU 68 3.983 2.943 -1.374 500 HB3 LEU 68 HB1 LEU 68 4.565 4.225 -2.407 501 HG LEU 68 HG LEU 68 2.775 3.731 -4.018 502 HD11 LEU 68 HD11 LEU 68 1.844 1.774 -1.924 503 HD12 LEU 68 HD12 LEU 68 2.491 1.358 -3.511 504 HD13 LEU 68 HD13 LEU 68 0.964 2.233 -3.381 505 HD21 LEU 68 HD21 LEU 68 1.824 4.184 -1.194 506 HD22 LEU 68 HD22 LEU 68 0.976 4.653 -2.669 507 HD23 LEU 68 HD23 LEU 68 2.512 5.416 -2.251 508 H VAL 69 HN VAL 69 4.256 1.036 -5.170 509 HA VAL 69 HA VAL 69 5.762 2.689 -7.045 510 HB VAL 69 HB VAL 69 4.045 0.269 -7.624 511 HG11 VAL 69 HG11 VAL 69 4.436 1.664 -9.569 512 HG12 VAL 69 HG12 VAL 69 5.345 0.157 -9.702 513 HG13 VAL 69 HG13 VAL 69 6.169 1.649 -9.253 514 HG21 VAL 69 HG21 VAL 69 5.839 -0.334 -6.092 515 HG22 VAL 69 HG22 VAL 69 7.021 0.426 -7.160 516 HG23 VAL 69 HG23 VAL 69 6.140 -1.005 -7.696 517 H THR 70 HN THR 70 2.456 1.450 -6.737 518 HA THR 70 HA THR 70 1.375 3.999 -7.626 519 HB THR 70 HB THR 70 -0.190 2.777 -9.230 520 HG1 THR 70 HG1 THR 70 1.342 0.691 -8.411 521 HG21 THR 70 HG21 THR 70 1.562 4.248 -10.052 522 HG22 THR 70 HG22 THR 70 1.415 2.835 -11.097 523 HG23 THR 70 HG23 THR 70 2.739 2.939 -9.938 524 H VAL 71 HN VAL 71 -0.775 4.320 -6.966 525 HA VAL 71 HA VAL 71 -2.090 2.169 -5.513 526 HB VAL 71 HB VAL 71 -0.748 3.260 -3.784 527 HG11 VAL 71 HG11 VAL 71 -2.195 5.779 -4.562 528 HG12 VAL 71 HG12 VAL 71 -0.473 5.449 -4.769 529 HG13 VAL 71 HG13 VAL 71 -1.158 5.585 -3.150 530 HG21 VAL 71 HG21 VAL 71 -2.855 2.399 -3.071 531 HG22 VAL 71 HG22 VAL 71 -3.691 3.854 -3.614 532 HG23 VAL 71 HG23 VAL 71 -2.578 3.936 -2.248 533 H ALA 72 HN ALA 72 -4.249 2.234 -5.727 534 HA ALA 72 HA ALA 72 -5.477 4.721 -6.726 535 HB1 ALA 72 HB1 ALA 72 -5.195 3.129 -8.579 536 HB2 ALA 72 HB2 ALA 72 -6.897 3.415 -8.212 537 HB3 ALA 72 HB3 ALA 72 -6.116 1.927 -7.673 538 HA PRO 73 HA PRO 73 -8.194 4.225 -3.275 539 HB2 PRO 73 HB2 PRO 73 -10.348 5.595 -4.314 540 HB3 PRO 73 HB1 PRO 73 -8.948 6.355 -3.551 541 HG2 PRO 73 HG2 PRO 73 -9.545 5.964 -6.453 542 HG3 PRO 73 HG1 PRO 73 -8.842 7.368 -5.630 543 HD2 PRO 73 HD2 PRO 73 -7.321 5.631 -7.001 544 HD3 PRO 73 HD1 PRO 73 -6.739 6.405 -5.511 545 H GLN 74 HN GLN 74 -9.500 2.648 -2.688 546 HA GLN 74 HA GLN 74 -11.182 1.338 -4.710 547 HB2 GLN 74 HB2 GLN 74 -10.616 -0.825 -3.872 548 HB3 GLN 74 HB1 GLN 74 -9.109 0.020 -4.198 549 HG2 GLN 74 HG2 GLN 74 -8.602 0.255 -1.969 550 HG3 GLN 74 HG1 GLN 74 -10.283 0.094 -1.462 551 HE21 GLN 74 HE21 GLN 74 -7.939 -1.314 -0.514 552 HE22 GLN 74 HE22 GLN 74 -8.266 -2.989 -0.775 553 H VAL 75 HN VAL 75 -12.569 -0.392 -3.295 554 HA VAL 75 HA VAL 75 -13.841 1.156 -1.159 555 HB VAL 75 HB VAL 75 -15.383 -0.170 -3.408 556 HG11 VAL 75 HG11 VAL 75 -16.315 1.525 -1.094 557 HG12 VAL 75 HG12 VAL 75 -16.553 -0.213 -1.278 558 HG13 VAL 75 HG13 VAL 75 -17.335 0.907 -2.393 559 HG21 VAL 75 HG21 VAL 75 -14.279 1.844 -4.219 560 HG22 VAL 75 HG22 VAL 75 -14.950 2.768 -2.875 561 HG23 VAL 75 HG23 VAL 75 -16.020 2.089 -4.102 562 H GLN 76 HN GLN 76 -13.246 -0.195 0.415 563 HA GLN 76 HA GLN 76 -13.083 -2.035 1.694 564 HB2 GLN 76 HB2 GLN 76 -15.227 -3.023 -0.138 565 HB3 GLN 76 HB1 GLN 76 -14.587 -4.016 1.161 566 HG2 GLN 76 HG2 GLN 76 -15.313 -2.290 2.773 567 HG3 GLN 76 HG1 GLN 76 -16.032 -1.393 1.432 568 HE21 GLN 76 HE21 GLN 76 -15.977 -4.871 1.530 569 HE22 GLN 76 HE22 GLN 76 -17.682 -5.083 1.791 570 H THR 77 HN THR 77 -13.887 -4.072 -0.882 571 HA THR 77 HA THR 77 -11.081 -4.840 -1.226 572 HB THR 77 HB THR 77 -12.236 -7.013 -2.138 573 HG1 THR 77 HG1 THR 77 -14.314 -7.142 -1.741 574 HG21 THR 77 HG21 THR 77 -12.136 -6.368 0.812 575 HG22 THR 77 HG22 THR 77 -10.784 -6.933 -0.168 576 HG23 THR 77 HG23 THR 77 -12.170 -7.988 0.113 577 H ALA 78 HN ALA 78 -13.445 -3.141 -2.623 578 HA ALA 78 HA ALA 78 -13.812 -2.268 -4.679 579 HB1 ALA 78 HB1 ALA 78 -11.220 -3.615 -5.425 580 HB2 ALA 78 HB2 ALA 78 -11.393 -1.985 -4.772 581 HB3 ALA 78 HB3 ALA 78 -12.049 -2.371 -6.361 582 H GLY 79 HN GLY 79 -14.404 -5.244 -3.943 583 HA2 GLY 79 HA2 GLY 79 -15.985 -6.615 -5.024 584 HA3 GLY 79 HA1 GLY 79 -15.570 -5.848 -6.549 585 H ALA 80 HN ALA 80 -12.757 -6.588 -4.961 586 HA ALA 80 HA ALA 80 -12.593 -9.245 -6.221 587 HB1 ALA 80 HB1 ALA 80 -10.407 -7.164 -6.155 588 HB2 ALA 80 HB2 ALA 80 -11.372 -7.595 -7.565 589 HB3 ALA 80 HB3 ALA 80 -10.285 -8.784 -6.848 590 H LYS 81 HN LYS 81 -12.142 -10.786 -4.831 591 HA LYS 81 HA LYS 81 -11.412 -10.187 -2.126 592 HB2 LYS 81 HB2 LYS 81 -12.890 -12.023 -2.449 593 HB3 LYS 81 HB1 LYS 81 -11.831 -12.759 -3.644 594 HG2 LYS 81 HG2 LYS 81 -10.188 -13.239 -1.909 595 HG3 LYS 81 HG1 LYS 81 -11.231 -12.475 -0.707 596 HD2 LYS 81 HD2 LYS 81 -12.892 -14.152 -0.958 597 HD3 LYS 81 HD1 LYS 81 -12.108 -14.802 -2.400 598 HE2 LYS 81 HE2 LYS 81 -11.715 -16.200 -0.420 599 HE3 LYS 81 HE1 LYS 81 -10.221 -15.544 -1.082 600 HZ1 LYS 81 HZ1 LYS 81 -10.348 -13.791 0.643 601 HZ2 LYS 81 HZ2 LYS 81 -10.160 -15.353 1.273 602 HZ3 LYS 81 HZ3 LYS 81 -11.676 -14.597 1.326 603 HA PRO 82 HA PRO 82 -7.000 -10.649 -2.814 604 HB2 PRO 82 HB2 PRO 82 -6.583 -10.046 -0.045 605 HB3 PRO 82 HB1 PRO 82 -6.341 -8.983 -1.430 606 HG2 PRO 82 HG2 PRO 82 -8.283 -8.641 0.512 607 HG3 PRO 82 HG1 PRO 82 -8.333 -7.933 -1.111 608 HD2 PRO 82 HD2 PRO 82 -9.725 -10.351 -0.048 609 HD3 PRO 82 HD1 PRO 82 -10.299 -9.135 -1.209 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 14.071 -4.863 -5.805 2 H2 GLY 1 HT2 GLY 1 14.648 -6.184 -6.698 3 H3 GLY 1 HT3 GLY 1 15.227 -5.905 -5.132 4 HA2 GLY 1 HA1 GLY 1 13.659 -7.711 -5.092 5 HA3 GLY 1 HA2 GLY 1 13.022 -6.322 -4.223 6 HA PRO 2 HA PRO 2 10.277 -7.792 -7.898 7 HB2 PRO 2 HB2 PRO 2 8.725 -9.334 -5.940 8 HB3 PRO 2 HB1 PRO 2 9.345 -9.829 -7.516 9 HG2 PRO 2 HG2 PRO 2 10.385 -10.778 -5.230 10 HG3 PRO 2 HG1 PRO 2 11.386 -10.469 -6.661 11 HD2 PRO 2 HD2 PRO 2 11.040 -8.797 -4.198 12 HD3 PRO 2 HD1 PRO 2 12.526 -9.186 -5.091 13 H GLU 3 HN GLU 3 8.082 -7.193 -8.215 14 HA GLU 3 HA GLU 3 7.143 -5.207 -6.260 15 HB2 GLU 3 HB2 GLU 3 7.677 -4.372 -8.531 16 HB3 GLU 3 HB1 GLU 3 6.489 -5.482 -9.204 17 HG2 GLU 3 HG2 GLU 3 4.756 -4.317 -7.823 18 HG3 GLU 3 HG1 GLU 3 5.989 -3.125 -7.409 19 H HIS 4 HN HIS 4 5.478 -5.831 -5.049 20 HA HIS 4 HA HIS 4 3.619 -7.857 -6.135 21 HB2 HIS 4 HB2 HIS 4 4.168 -7.274 -3.213 22 HB3 HIS 4 HB1 HIS 4 3.206 -8.592 -3.866 23 HD1 HIS 4 HD1 HIS 4 4.515 -10.644 -4.861 24 HD2 HIS 4 HD2 HIS 4 6.911 -7.681 -3.188 25 HE1 HIS 4 HE1 HIS 4 6.784 -11.684 -4.569 26 HE2 HIS 4 HE2 HIS 4 8.154 -9.943 -3.361 27 H ARG 5 HN ARG 5 1.357 -7.640 -5.226 28 HA ARG 5 HA ARG 5 0.684 -4.784 -4.974 29 HB2 ARG 5 HB2 ARG 5 -0.963 -7.116 -5.950 30 HB3 ARG 5 HB1 ARG 5 -1.622 -5.510 -5.658 31 HG2 ARG 5 HG2 ARG 5 -0.078 -4.600 -7.341 32 HG3 ARG 5 HG1 ARG 5 0.518 -6.233 -7.652 33 HD2 ARG 5 HD2 ARG 5 -1.746 -6.921 -8.302 34 HD3 ARG 5 HD1 ARG 5 -2.320 -5.280 -8.012 35 HE ARG 5 HE ARG 5 -0.353 -4.879 -9.805 36 HH11 ARG 5 HH11 ARG 5 -3.002 -7.177 -9.753 37 HH12 ARG 5 HH12 ARG 5 -3.197 -7.180 -11.483 38 HH21 ARG 5 HH21 ARG 5 -0.609 -4.877 -12.062 39 HH22 ARG 5 HH22 ARG 5 -1.850 -5.845 -12.801 40 H ALA 6 HN ALA 6 -0.992 -4.171 -3.516 41 HA ALA 6 HA ALA 6 -1.942 -6.114 -1.589 42 HB1 ALA 6 HB1 ALA 6 -0.195 -3.823 -0.698 43 HB2 ALA 6 HB2 ALA 6 0.236 -5.534 -0.650 44 HB3 ALA 6 HB3 ALA 6 -1.076 -4.924 0.361 45 H VAL 7 HN VAL 7 -3.755 -5.425 -0.496 46 HA VAL 7 HA VAL 7 -4.688 -2.694 -1.082 47 HB VAL 7 HB VAL 7 -6.998 -3.524 -0.830 48 HG11 VAL 7 HG11 VAL 7 -5.374 -4.967 -2.919 49 HG12 VAL 7 HG12 VAL 7 -6.066 -3.350 -3.053 50 HG13 VAL 7 HG13 VAL 7 -7.124 -4.756 -2.954 51 HG21 VAL 7 HG21 VAL 7 -6.544 -5.453 0.611 52 HG22 VAL 7 HG22 VAL 7 -5.743 -6.267 -0.733 53 HG23 VAL 7 HG23 VAL 7 -7.469 -5.918 -0.816 54 H GLY 8 HN GLY 8 -5.789 -1.584 0.639 55 HA2 GLY 8 HA2 GLY 8 -6.302 -2.717 3.152 56 HA3 GLY 8 HA1 GLY 8 -4.690 -2.026 3.193 57 H ARG 9 HN ARG 9 -5.405 -0.599 4.799 58 HA ARG 9 HA ARG 9 -7.192 1.559 3.875 59 HB2 ARG 9 HB2 ARG 9 -8.206 0.265 5.710 60 HB3 ARG 9 HB1 ARG 9 -6.769 0.519 6.691 61 HG2 ARG 9 HG2 ARG 9 -7.260 3.019 6.411 62 HG3 ARG 9 HG1 ARG 9 -8.858 2.503 5.873 63 HD2 ARG 9 HD2 ARG 9 -7.563 1.907 8.530 64 HD3 ARG 9 HD1 ARG 9 -8.908 3.010 8.237 65 HE ARG 9 HE ARG 9 -9.048 0.078 7.907 66 HH11 ARG 9 HH11 ARG 9 -10.497 3.164 8.749 67 HH12 ARG 9 HH12 ARG 9 -12.033 2.462 9.168 68 HH21 ARG 9 HH21 ARG 9 -11.055 -0.840 8.460 69 HH22 ARG 9 HH22 ARG 9 -12.356 0.186 9.003 70 H ILE 10 HN ILE 10 -6.366 3.557 3.898 71 HA ILE 10 HA ILE 10 -3.624 3.956 4.560 72 HB ILE 10 HB ILE 10 -5.759 6.051 4.129 73 HG12 ILE 10 HG12 ILE 10 -5.535 4.601 2.182 74 HG13 ILE 10 HG11 ILE 10 -4.827 6.178 1.839 75 HG21 ILE 10 HG21 ILE 10 -3.795 6.906 5.300 76 HG22 ILE 10 HG22 ILE 10 -3.882 7.547 3.658 77 HG23 ILE 10 HG23 ILE 10 -2.749 6.249 4.039 78 HD11 ILE 10 HD11 ILE 10 -3.335 3.664 2.553 79 HD12 ILE 10 HD12 ILE 10 -2.599 5.246 2.280 80 HD13 ILE 10 HD13 ILE 10 -3.431 4.422 0.961 81 H GLN 11 HN GLN 11 -2.757 4.273 6.475 82 HA GLN 11 HA GLN 11 -4.500 4.625 8.770 83 HB2 GLN 11 HB2 GLN 11 -2.381 3.034 8.434 84 HB3 GLN 11 HB1 GLN 11 -1.537 4.454 9.033 85 HG2 GLN 11 HG2 GLN 11 -2.060 2.878 10.810 86 HG3 GLN 11 HG1 GLN 11 -2.868 4.429 11.052 87 HE21 GLN 11 HE21 GLN 11 -3.283 1.086 10.154 88 HE22 GLN 11 HE22 GLN 11 -4.993 1.028 10.406 89 H SER 12 HN SER 12 -1.600 6.169 7.401 90 HA SER 12 HA SER 12 -2.643 8.789 7.932 91 HB2 SER 12 HB2 SER 12 -0.088 7.988 9.354 92 HB3 SER 12 HB1 SER 12 -0.844 9.580 9.360 93 HG SER 12 HG SER 12 -2.674 7.849 10.171 94 H ILE 13 HN ILE 13 -1.529 10.394 6.775 95 HA ILE 13 HA ILE 13 0.351 9.377 4.768 96 HB ILE 13 HB ILE 13 -1.230 11.946 4.977 97 HG12 ILE 13 HG12 ILE 13 -1.235 9.707 2.943 98 HG13 ILE 13 HG11 ILE 13 -2.427 9.930 4.217 99 HG21 ILE 13 HG21 ILE 13 0.935 12.540 4.083 100 HG22 ILE 13 HG22 ILE 13 -0.272 12.580 2.795 101 HG23 ILE 13 HG23 ILE 13 0.846 11.220 2.917 102 HD11 ILE 13 HD11 ILE 13 -3.139 12.014 3.210 103 HD12 ILE 13 HD12 ILE 13 -3.230 10.694 2.044 104 HD13 ILE 13 HD13 ILE 13 -1.900 11.852 1.966 105 H GLY 14 HN GLY 14 2.456 9.825 4.849 106 HA2 GLY 14 HA2 GLY 14 3.448 11.474 7.067 107 HA3 GLY 14 HA1 GLY 14 4.345 10.228 6.231 108 H GLU 15 HN GLU 15 6.082 11.664 6.008 109 HA GLU 15 HA GLU 15 5.793 14.166 4.629 110 HB2 GLU 15 HB2 GLU 15 8.309 12.588 5.201 111 HB3 GLU 15 HB1 GLU 15 8.215 14.292 4.780 112 HG2 GLU 15 HG2 GLU 15 7.132 13.034 7.289 113 HG3 GLU 15 HG1 GLU 15 8.623 13.964 7.155 114 H ARG 16 HN ARG 16 7.123 10.989 3.887 115 HA ARG 16 HA ARG 16 6.582 11.448 1.058 116 HB2 ARG 16 HB2 ARG 16 8.814 10.377 0.496 117 HB3 ARG 16 HB1 ARG 16 8.851 12.041 1.015 118 HG2 ARG 16 HG2 ARG 16 10.676 10.992 2.058 119 HG3 ARG 16 HG1 ARG 16 9.451 11.175 3.314 120 HD2 ARG 16 HD2 ARG 16 8.907 8.894 3.268 121 HD3 ARG 16 HD1 ARG 16 9.703 8.646 1.715 122 HE ARG 16 HE ARG 16 11.830 9.156 3.012 123 HH11 ARG 16 HH11 ARG 16 9.017 7.656 4.488 124 HH12 ARG 16 HH12 ARG 16 9.954 6.805 5.680 125 HH21 ARG 16 HH21 ARG 16 13.045 7.989 4.544 126 HH22 ARG 16 HH22 ARG 16 12.227 6.985 5.700 127 H SER 17 HN SER 17 5.784 9.766 3.484 128 HA SER 17 HA SER 17 5.342 7.351 1.986 129 HB2 SER 17 HB2 SER 17 6.200 5.971 3.988 130 HB3 SER 17 HB1 SER 17 7.395 6.640 2.881 131 HG SER 17 HG SER 17 7.311 6.960 5.467 132 H LEU 18 HN LEU 18 3.630 6.147 2.810 133 HA LEU 18 HA LEU 18 2.197 7.482 5.018 134 HB2 LEU 18 HB2 LEU 18 0.479 6.045 3.155 135 HB3 LEU 18 HB1 LEU 18 0.285 7.624 3.859 136 HG LEU 18 HG LEU 18 2.067 7.094 1.486 137 HD11 LEU 18 HD11 LEU 18 0.260 8.020 0.116 138 HD12 LEU 18 HD12 LEU 18 -0.791 8.061 1.533 139 HD13 LEU 18 HD13 LEU 18 -0.220 6.515 0.900 140 HD21 LEU 18 HD21 LEU 18 0.893 9.645 2.587 141 HD22 LEU 18 HD22 LEU 18 1.928 9.499 1.167 142 HD23 LEU 18 HD23 LEU 18 2.569 9.124 2.766 143 H ILE 19 HN ILE 19 1.407 6.172 6.589 144 HA ILE 19 HA ILE 19 2.198 3.392 6.484 145 HB ILE 19 HB ILE 19 0.591 4.694 8.682 146 HG12 ILE 19 HG12 ILE 19 3.606 4.576 8.385 147 HG13 ILE 19 HG11 ILE 19 2.622 6.032 8.281 148 HG21 ILE 19 HG21 ILE 19 0.666 2.281 8.769 149 HG22 ILE 19 HG22 ILE 19 1.685 2.937 10.052 150 HG23 ILE 19 HG23 ILE 19 2.422 2.291 8.583 151 HD11 ILE 19 HD11 ILE 19 1.965 5.744 10.616 152 HD12 ILE 19 HD12 ILE 19 3.715 5.868 10.437 153 HD13 ILE 19 HD13 ILE 19 2.964 4.296 10.715 154 H ILE 20 HN ILE 20 0.897 1.727 6.043 155 HA ILE 20 HA ILE 20 -1.974 2.269 5.682 156 HB ILE 20 HB ILE 20 -0.246 0.654 3.795 157 HG12 ILE 20 HG12 ILE 20 -1.565 3.344 3.347 158 HG13 ILE 20 HG11 ILE 20 0.152 3.112 3.660 159 HG21 ILE 20 HG21 ILE 20 -2.250 0.529 2.408 160 HG22 ILE 20 HG22 ILE 20 -3.154 1.438 3.620 161 HG23 ILE 20 HG23 ILE 20 -2.540 -0.169 4.003 162 HD11 ILE 20 HD11 ILE 20 -0.280 3.442 1.297 163 HD12 ILE 20 HD12 ILE 20 -1.369 2.054 1.291 164 HD13 ILE 20 HD13 ILE 20 0.351 1.823 1.600 165 H ALA 21 HN ALA 21 -3.197 0.871 6.767 166 HA ALA 21 HA ALA 21 -2.157 -1.611 7.787 167 HB1 ALA 21 HB1 ALA 21 -4.986 -0.564 7.699 168 HB2 ALA 21 HB2 ALA 21 -3.862 -0.416 9.051 169 HB3 ALA 21 HB3 ALA 21 -4.454 -2.005 8.564 170 H HIS 22 HN HIS 22 -1.523 -2.795 6.016 171 HA HIS 22 HA HIS 22 -3.432 -3.279 3.882 172 HB2 HIS 22 HB2 HIS 22 -1.597 -4.502 2.779 173 HB3 HIS 22 HB1 HIS 22 -1.119 -2.871 3.226 174 HD1 HIS 22 HD1 HIS 22 -0.740 -6.428 4.560 175 HD2 HIS 22 HD2 HIS 22 1.224 -2.755 4.586 176 HE1 HIS 22 HE1 HIS 22 1.477 -6.847 5.673 177 HE2 HIS 22 HE2 HIS 22 2.705 -4.650 5.548 178 H GLU 23 HN GLU 23 -4.056 -5.387 3.244 179 HA GLU 23 HA GLU 23 -4.820 -7.077 5.355 180 HB2 GLU 23 HB2 GLU 23 -5.629 -8.588 3.644 181 HB3 GLU 23 HB1 GLU 23 -6.043 -6.927 3.239 182 HG2 GLU 23 HG2 GLU 23 -4.827 -6.945 1.382 183 HG3 GLU 23 HG1 GLU 23 -3.500 -7.831 2.127 184 H ALA 24 HN ALA 24 -4.369 -9.654 4.401 185 HA ALA 24 HA ALA 24 -2.020 -10.300 5.748 186 HB1 ALA 24 HB1 ALA 24 -3.517 -12.009 3.771 187 HB2 ALA 24 HB2 ALA 24 -3.909 -11.845 5.484 188 HB3 ALA 24 HB3 ALA 24 -2.380 -12.575 4.994 189 H ILE 25 HN ILE 25 -2.686 -10.193 2.295 190 HA ILE 25 HA ILE 25 -1.321 -9.896 0.503 191 HB ILE 25 HB ILE 25 0.936 -9.557 2.491 192 HG12 ILE 25 HG12 ILE 25 -0.834 -7.570 1.052 193 HG13 ILE 25 HG11 ILE 25 -0.648 -7.786 2.788 194 HG21 ILE 25 HG21 ILE 25 0.827 -8.965 -0.473 195 HG22 ILE 25 HG22 ILE 25 1.751 -10.252 0.300 196 HG23 ILE 25 HG23 ILE 25 2.165 -8.566 0.604 197 HD11 ILE 25 HD11 ILE 25 1.643 -6.977 2.655 198 HD12 ILE 25 HD12 ILE 25 0.504 -5.793 2.014 199 HD13 ILE 25 HD13 ILE 25 1.475 -6.771 0.911 200 HA PRO 26 HA PRO 26 -0.096 -14.286 0.614 201 HB2 PRO 26 HB2 PRO 26 -1.315 -14.946 -1.696 202 HB3 PRO 26 HB1 PRO 26 -2.201 -14.842 -0.170 203 HG2 PRO 26 HG2 PRO 26 -2.037 -12.862 -2.405 204 HG3 PRO 26 HG1 PRO 26 -3.446 -13.356 -1.448 205 HD2 PRO 26 HD2 PRO 26 -2.027 -11.055 -0.999 206 HD3 PRO 26 HD1 PRO 26 -2.941 -11.913 0.259 207 H SER 27 HN SER 27 0.555 -11.571 -1.169 208 HA SER 27 HA SER 27 2.166 -12.699 -3.247 209 HB2 SER 27 HB2 SER 27 2.247 -9.869 -2.194 210 HB3 SER 27 HB1 SER 27 2.645 -10.429 -3.819 211 HG SER 27 HG SER 27 0.640 -9.964 -4.244 212 H ALA 28 HN ALA 28 2.646 -11.642 0.039 213 HA ALA 28 HA ALA 28 5.525 -12.212 -0.229 214 HB1 ALA 28 HB1 ALA 28 4.251 -10.175 1.591 215 HB2 ALA 28 HB2 ALA 28 5.123 -9.819 0.100 216 HB3 ALA 28 HB3 ALA 28 5.975 -10.532 1.470 217 H GLN 29 HN GLN 29 2.676 -13.230 1.071 218 HA GLN 29 HA GLN 29 2.083 -14.772 2.606 219 HB2 GLN 29 HB2 GLN 29 4.943 -15.344 2.176 220 HB3 GLN 29 HB1 GLN 29 4.272 -15.970 3.674 221 HG2 GLN 29 HG2 GLN 29 4.128 -17.648 1.969 222 HG3 GLN 29 HG1 GLN 29 2.510 -17.101 2.392 223 HE21 GLN 29 HE21 GLN 29 4.774 -15.383 0.320 224 HE22 GLN 29 HE22 GLN 29 3.845 -15.545 -1.127 225 H TRP 30 HN TRP 30 1.977 -12.304 3.514 226 HA TRP 30 HA TRP 30 3.106 -12.395 6.221 227 HB2 TRP 30 HB2 TRP 30 1.957 -10.090 4.638 228 HB3 TRP 30 HB1 TRP 30 2.370 -9.986 6.345 229 HD1 TRP 30 HD1 TRP 30 5.096 -11.906 5.678 230 HE1 TRP 30 HE1 TRP 30 7.157 -10.633 4.802 231 HE3 TRP 30 HE3 TRP 30 2.781 -7.626 4.117 232 HZ2 TRP 30 HZ2 TRP 30 7.713 -8.130 3.614 233 HZ3 TRP 30 HZ3 TRP 30 4.149 -5.841 3.124 234 HH2 TRP 30 HH2 TRP 30 6.562 -6.089 2.879 235 H GLY 31 HN GLY 31 1.492 -11.234 7.828 236 HA2 GLY 31 HA2 GLY 31 -1.103 -12.596 7.466 237 HA3 GLY 31 HA1 GLY 31 -0.235 -12.605 8.993 238 H ALA 32 HN ALA 32 -0.696 -9.878 6.797 239 HA ALA 32 HA ALA 32 -1.895 -7.957 6.917 240 HB1 ALA 32 HB1 ALA 32 -3.837 -9.380 7.378 241 HB2 ALA 32 HB2 ALA 32 -3.930 -7.835 8.224 242 HB3 ALA 32 HB3 ALA 32 -3.480 -9.297 9.103 243 H MET 33 HN MET 33 -0.834 -6.255 7.590 244 HA MET 33 HA MET 33 -0.583 -5.646 10.382 245 HB2 MET 33 HB2 MET 33 1.888 -5.473 10.353 246 HB3 MET 33 HB1 MET 33 1.321 -7.127 10.165 247 HG2 MET 33 HG2 MET 33 1.689 -6.990 7.767 248 HG3 MET 33 HG1 MET 33 2.247 -5.331 7.938 249 HE1 MET 33 HE1 MET 33 2.935 -8.584 10.101 250 HE2 MET 33 HE2 MET 33 4.483 -9.080 9.415 251 HE3 MET 33 HE3 MET 33 3.027 -9.102 8.416 252 H THR 34 HN THR 34 0.053 -3.508 10.772 253 HA THR 34 HA THR 34 -0.450 -1.752 8.520 254 HB THR 34 HB THR 34 -0.031 -1.053 11.434 255 HG1 THR 34 HG1 THR 34 -2.253 -1.159 11.605 256 HG21 THR 34 HG21 THR 34 -1.278 0.516 9.173 257 HG22 THR 34 HG22 THR 34 0.302 0.832 9.893 258 HG23 THR 34 HG23 THR 34 -1.165 1.036 10.855 259 H MET 35 HN MET 35 1.231 -1.348 7.285 260 HA MET 35 HA MET 35 3.832 -0.740 8.544 261 HB2 MET 35 HB2 MET 35 3.207 -2.157 5.967 262 HB3 MET 35 HB1 MET 35 4.784 -1.449 6.288 263 HG2 MET 35 HG2 MET 35 5.142 -2.901 8.134 264 HG3 MET 35 HG1 MET 35 3.485 -3.489 8.049 265 HE1 MET 35 HE1 MET 35 6.510 -4.159 4.657 266 HE2 MET 35 HE2 MET 35 6.924 -3.295 6.140 267 HE3 MET 35 HE3 MET 35 5.716 -2.629 5.037 268 H GLU 36 HN GLU 36 5.210 0.682 7.269 269 HA GLU 36 HA GLU 36 3.611 2.806 6.014 270 HB2 GLU 36 HB2 GLU 36 5.079 3.416 7.919 271 HB3 GLU 36 HB1 GLU 36 6.474 2.890 6.988 272 HG2 GLU 36 HG2 GLU 36 6.012 4.605 5.318 273 HG3 GLU 36 HG1 GLU 36 4.604 5.126 6.241 274 H PHE 37 HN PHE 37 3.819 3.330 3.898 275 HA PHE 37 HA PHE 37 5.860 1.841 2.369 276 HB2 PHE 37 HB2 PHE 37 3.121 2.791 1.490 277 HB3 PHE 37 HB1 PHE 37 4.321 2.086 0.412 278 HD1 PHE 37 HD2 PHE 37 4.858 -0.264 0.510 279 HD2 PHE 37 HD1 PHE 37 1.942 1.424 3.107 280 HE1 PHE 37 HE2 PHE 37 4.050 -2.519 1.063 281 HE2 PHE 37 HE1 PHE 37 1.130 -0.830 3.667 282 HZ PHE 37 HZ PHE 37 2.184 -2.805 2.641 283 H ALA 38 HN ALA 38 7.417 2.997 1.514 284 HA ALA 38 HA ALA 38 7.359 5.865 1.650 285 HB1 ALA 38 HB1 ALA 38 9.404 4.572 2.105 286 HB2 ALA 38 HB2 ALA 38 9.635 5.765 0.827 287 HB3 ALA 38 HB3 ALA 38 9.440 4.060 0.416 288 H ALA 39 HN ALA 39 7.138 7.328 0.012 289 HA ALA 39 HA ALA 39 6.122 6.218 -2.513 290 HB1 ALA 39 HB1 ALA 39 5.814 8.980 -1.325 291 HB2 ALA 39 HB2 ALA 39 4.595 7.703 -1.318 292 HB3 ALA 39 HB3 ALA 39 5.102 8.433 -2.844 293 HA PRO 40 HA PRO 40 9.569 7.907 -4.826 294 HB2 PRO 40 HB2 PRO 40 8.193 8.729 -7.064 295 HB3 PRO 40 HB1 PRO 40 8.710 7.063 -6.783 296 HG2 PRO 40 HG2 PRO 40 6.034 8.319 -6.336 297 HG3 PRO 40 HG1 PRO 40 6.428 6.727 -7.014 298 HD2 PRO 40 HD2 PRO 40 5.592 7.014 -4.477 299 HD3 PRO 40 HD1 PRO 40 6.804 5.796 -4.926 300 HA PRO 41 HA PRO 41 9.552 12.227 -3.830 301 HB2 PRO 41 HB2 PRO 41 11.121 12.606 -6.321 302 HB3 PRO 41 HB1 PRO 41 11.521 13.051 -4.658 303 HG2 PRO 41 HG2 PRO 41 12.702 10.978 -5.836 304 HG3 PRO 41 HG1 PRO 41 12.251 10.918 -4.123 305 HD2 PRO 41 HD2 PRO 41 10.913 9.668 -6.485 306 HD3 PRO 41 HD1 PRO 41 11.146 9.023 -4.847 307 H ALA 42 HN ALA 42 8.358 11.006 -6.774 308 HA ALA 42 HA ALA 42 7.437 13.369 -8.011 309 HB1 ALA 42 HB1 ALA 42 5.983 11.892 -9.293 310 HB2 ALA 42 HB2 ALA 42 6.319 10.574 -8.169 311 HB3 ALA 42 HB3 ALA 42 7.612 11.227 -9.174 312 H GLY 43 HN GLY 43 6.202 11.423 -5.381 313 HA2 GLY 43 HA2 GLY 43 4.873 12.435 -3.700 314 HA3 GLY 43 HA1 GLY 43 4.211 13.515 -4.911 315 H LEU 44 HN LEU 44 2.486 12.433 -3.260 316 HA LEU 44 HA LEU 44 1.349 10.033 -4.497 317 HB2 LEU 44 HB2 LEU 44 0.599 11.505 -1.971 318 HB3 LEU 44 HB1 LEU 44 -0.257 10.113 -2.580 319 HG LEU 44 HG LEU 44 1.104 9.303 -0.856 320 HD11 LEU 44 HD11 LEU 44 2.700 7.821 -1.975 321 HD12 LEU 44 HD12 LEU 44 2.531 8.771 -3.452 322 HD13 LEU 44 HD13 LEU 44 1.145 7.885 -2.807 323 HD21 LEU 44 HD21 LEU 44 3.470 9.756 -0.602 324 HD22 LEU 44 HD22 LEU 44 2.564 11.271 -0.645 325 HD23 LEU 44 HD23 LEU 44 3.462 10.739 -2.068 326 HA PRO 45 HA PRO 45 -2.051 12.321 -6.391 327 HB2 PRO 45 HB2 PRO 45 -3.636 9.904 -6.173 328 HB3 PRO 45 HB1 PRO 45 -2.976 10.665 -7.621 329 HG2 PRO 45 HG2 PRO 45 -2.105 8.275 -6.655 330 HG3 PRO 45 HG1 PRO 45 -1.088 9.383 -7.591 331 HD2 PRO 45 HD2 PRO 45 -1.170 8.923 -4.635 332 HD3 PRO 45 HD1 PRO 45 0.222 9.214 -5.698 333 H GLN 46 HN GLN 46 -4.631 11.888 -5.999 334 HA GLN 46 HA GLN 46 -5.020 12.446 -3.142 335 HB2 GLN 46 HB2 GLN 46 -6.909 13.805 -3.760 336 HB3 GLN 46 HB1 GLN 46 -5.522 14.312 -4.708 337 HG2 GLN 46 HG2 GLN 46 -7.677 12.477 -5.716 338 HG3 GLN 46 HG1 GLN 46 -7.667 14.219 -5.958 339 HE21 GLN 46 HE21 GLN 46 -6.344 11.176 -6.900 340 HE22 GLN 46 HE22 GLN 46 -5.428 11.755 -8.254 341 H GLY 47 HN GLY 47 -6.961 11.650 -2.144 342 HA2 GLY 47 HA2 GLY 47 -8.871 10.231 -2.093 343 HA3 GLY 47 HA1 GLY 47 -8.314 9.473 -3.579 344 H LEU 48 HN LEU 48 -5.990 10.017 -1.130 345 HA LEU 48 HA LEU 48 -6.166 7.263 -0.183 346 HB2 LEU 48 HB2 LEU 48 -3.585 7.326 -0.403 347 HB3 LEU 48 HB1 LEU 48 -4.570 6.968 -1.798 348 HG LEU 48 HG LEU 48 -4.308 9.314 -2.554 349 HD11 LEU 48 HD11 LEU 48 -2.601 10.729 -1.577 350 HD12 LEU 48 HD12 LEU 48 -2.298 9.533 -0.317 351 HD13 LEU 48 HD13 LEU 48 -3.852 10.366 -0.388 352 HD21 LEU 48 HD21 LEU 48 -1.761 7.784 -2.093 353 HD22 LEU 48 HD22 LEU 48 -1.990 9.066 -3.278 354 HD23 LEU 48 HD23 LEU 48 -2.892 7.560 -3.425 355 H LYS 49 HN LYS 49 -7.070 9.277 1.376 356 HA LYS 49 HA LYS 49 -4.853 10.168 3.086 357 HB2 LYS 49 HB2 LYS 49 -6.372 11.742 4.043 358 HB3 LYS 49 HB1 LYS 49 -6.626 11.796 2.305 359 HG2 LYS 49 HG2 LYS 49 -8.629 10.477 2.505 360 HG3 LYS 49 HG1 LYS 49 -8.344 10.245 4.229 361 HD2 LYS 49 HD2 LYS 49 -10.005 11.950 3.959 362 HD3 LYS 49 HD1 LYS 49 -8.518 12.707 4.527 363 HE2 LYS 49 HE2 LYS 49 -9.432 14.088 2.809 364 HE3 LYS 49 HE1 LYS 49 -7.999 13.290 2.160 365 HZ1 LYS 49 HZ1 LYS 49 -10.792 12.384 1.702 366 HZ2 LYS 49 HZ2 LYS 49 -9.396 11.720 1.010 367 HZ3 LYS 49 HZ3 LYS 49 -9.876 13.291 0.601 368 H ALA 50 HN ALA 50 -5.366 10.120 5.510 369 HA ALA 50 HA ALA 50 -5.581 7.526 6.436 370 HB1 ALA 50 HB1 ALA 50 -5.902 8.473 8.649 371 HB2 ALA 50 HB2 ALA 50 -6.339 10.029 7.940 372 HB3 ALA 50 HB3 ALA 50 -4.701 9.405 7.754 373 H GLY 51 HN GLY 51 -7.203 6.147 6.297 374 HA2 GLY 51 HA2 GLY 51 -9.457 5.608 7.112 375 HA3 GLY 51 HA1 GLY 51 -9.955 7.196 6.551 376 H ASP 52 HN ASP 52 -8.183 6.739 4.092 377 HA ASP 52 HA ASP 52 -10.333 5.747 2.482 378 HB2 ASP 52 HB2 ASP 52 -7.596 6.805 1.887 379 HB3 ASP 52 HB1 ASP 52 -8.468 5.920 0.644 380 H ARG 53 HN ARG 53 -10.250 4.016 1.053 381 HA ARG 53 HA ARG 53 -8.442 1.850 1.848 382 HB2 ARG 53 HB2 ARG 53 -11.234 1.981 1.589 383 HB3 ARG 53 HB1 ARG 53 -10.675 1.040 0.215 384 HG2 ARG 53 HG2 ARG 53 -11.232 -0.393 2.084 385 HG3 ARG 53 HG1 ARG 53 -9.510 -0.459 1.713 386 HD2 ARG 53 HD2 ARG 53 -10.157 -0.321 4.167 387 HD3 ARG 53 HD1 ARG 53 -8.928 0.796 3.583 388 HE ARG 53 HE ARG 53 -10.492 2.563 3.731 389 HH11 ARG 53 HH11 ARG 53 -11.802 -0.467 4.892 390 HH12 ARG 53 HH12 ARG 53 -13.021 0.290 5.874 391 HH21 ARG 53 HH21 ARG 53 -12.061 3.563 5.041 392 HH22 ARG 53 HH22 ARG 53 -13.166 2.580 5.952 393 H VAL 54 HN VAL 54 -6.864 1.499 0.414 394 HA VAL 54 HA VAL 54 -7.366 2.268 -2.379 395 HB VAL 54 HB VAL 54 -4.920 2.914 -2.481 396 HG11 VAL 54 HG11 VAL 54 -6.731 4.574 -2.334 397 HG12 VAL 54 HG12 VAL 54 -5.272 5.109 -1.497 398 HG13 VAL 54 HG13 VAL 54 -6.645 4.497 -0.574 399 HG21 VAL 54 HG21 VAL 54 -5.162 2.855 0.529 400 HG22 VAL 54 HG22 VAL 54 -3.766 3.381 -0.411 401 HG23 VAL 54 HG23 VAL 54 -4.255 1.687 -0.434 402 H ALA 55 HN ALA 55 -6.359 1.094 -3.974 403 HA ALA 55 HA ALA 55 -5.202 -1.489 -3.152 404 HB1 ALA 55 HB1 ALA 55 -6.471 -0.753 -5.798 405 HB2 ALA 55 HB2 ALA 55 -7.289 -1.616 -4.496 406 HB3 ALA 55 HB3 ALA 55 -5.906 -2.352 -5.310 407 H PHE 56 HN PHE 56 -3.046 -1.733 -3.528 408 HA PHE 56 HA PHE 56 -1.798 0.102 -5.435 409 HB2 PHE 56 HB2 PHE 56 -0.113 0.773 -3.736 410 HB3 PHE 56 HB1 PHE 56 -1.739 1.327 -3.371 411 HD1 PHE 56 HD1 PHE 56 -2.988 0.380 -1.503 412 HD2 PHE 56 HD2 PHE 56 0.997 -0.844 -2.354 413 HE1 PHE 56 HE1 PHE 56 -2.827 -0.641 0.731 414 HE2 PHE 56 HE2 PHE 56 1.167 -1.864 -0.122 415 HZ PHE 56 HZ PHE 56 -0.760 -1.746 1.430 416 H SER 57 HN SER 57 0.581 -0.257 -5.580 417 HA SER 57 HA SER 57 1.314 -3.074 -5.149 418 HB2 SER 57 HB2 SER 57 2.668 -2.877 -7.252 419 HB3 SER 57 HB1 SER 57 0.930 -2.770 -7.520 420 HG SER 57 HG SER 57 2.352 -1.148 -8.593 421 H PHE 58 HN PHE 58 3.508 -3.431 -4.589 422 HA PHE 58 HA PHE 58 5.178 -1.090 -4.125 423 HB2 PHE 58 HB2 PHE 58 5.490 -1.507 -1.774 424 HB3 PHE 58 HB1 PHE 58 3.765 -1.345 -2.077 425 HD1 PHE 58 HD1 PHE 58 2.371 -3.449 -2.238 426 HD2 PHE 58 HD2 PHE 58 6.365 -3.434 -0.763 427 HE1 PHE 58 HE1 PHE 58 1.973 -5.613 -1.143 428 HE2 PHE 58 HE2 PHE 58 5.970 -5.600 0.331 429 HZ PHE 58 HZ PHE 58 3.792 -6.695 0.139 430 H ARG 59 HN ARG 59 7.387 -1.621 -3.690 431 HA ARG 59 HA ARG 59 8.095 -4.365 -4.486 432 HB2 ARG 59 HB2 ARG 59 9.947 -1.989 -4.331 433 HB3 ARG 59 HB1 ARG 59 10.273 -3.546 -5.072 434 HG2 ARG 59 HG2 ARG 59 8.493 -3.034 -6.739 435 HG3 ARG 59 HG1 ARG 59 8.405 -1.409 -6.051 436 HD2 ARG 59 HD2 ARG 59 10.656 -2.716 -7.532 437 HD3 ARG 59 HD1 ARG 59 9.882 -1.162 -7.833 438 HE ARG 59 HE ARG 59 11.375 -1.466 -5.346 439 HH11 ARG 59 HH11 ARG 59 11.197 -0.161 -8.576 440 HH12 ARG 59 HH12 ARG 59 12.508 0.958 -8.344 441 HH21 ARG 59 HH21 ARG 59 13.117 -0.028 -5.024 442 HH22 ARG 59 HH22 ARG 59 13.632 1.002 -6.325 443 H LEU 60 HN LEU 60 9.876 -5.384 -3.373 444 HA LEU 60 HA LEU 60 10.386 -4.310 -0.683 445 HB2 LEU 60 HB2 LEU 60 9.757 -7.104 -1.531 446 HB3 LEU 60 HB1 LEU 60 10.794 -6.837 -0.146 447 HG LEU 60 HG LEU 60 7.965 -5.822 -0.424 448 HD11 LEU 60 HD11 LEU 60 9.132 -8.057 1.231 449 HD12 LEU 60 HD12 LEU 60 8.067 -8.242 -0.164 450 HD13 LEU 60 HD13 LEU 60 7.465 -7.482 1.311 451 HD21 LEU 60 HD21 LEU 60 9.328 -4.336 0.928 452 HD22 LEU 60 HD22 LEU 60 9.931 -5.703 1.865 453 HD23 LEU 60 HD23 LEU 60 8.228 -5.249 1.960 454 H ASP 61 HN ASP 61 12.402 -3.662 -0.594 455 HA ASP 61 HA ASP 61 14.461 -4.809 -2.265 456 HB2 ASP 61 HB2 ASP 61 14.648 -2.751 -0.053 457 HB3 ASP 61 HB1 ASP 61 15.980 -3.227 -1.089 458 HA PRO 62 HA PRO 62 15.918 -7.953 0.245 459 HB2 PRO 62 HB2 PRO 62 18.705 -7.016 0.309 460 HB3 PRO 62 HB1 PRO 62 18.018 -8.434 -0.487 461 HG2 PRO 62 HG2 PRO 62 18.873 -6.314 -1.890 462 HG3 PRO 62 HG1 PRO 62 17.455 -7.256 -2.393 463 HD2 PRO 62 HD2 PRO 62 17.563 -4.630 -0.948 464 HD3 PRO 62 HD1 PRO 62 16.521 -5.121 -2.298 465 H HIS 63 HN HIS 63 16.031 -4.935 1.559 466 HA HIS 63 HA HIS 63 17.119 -5.874 4.126 467 HB2 HIS 63 HB2 HIS 63 16.798 -3.159 2.902 468 HB3 HIS 63 HB1 HIS 63 16.859 -3.329 4.650 469 HD1 HIS 63 HD1 HIS 63 19.058 -1.805 3.096 470 HD2 HIS 63 HD2 HIS 63 19.279 -5.818 4.186 471 HE1 HIS 63 HE1 HIS 63 21.513 -2.365 3.151 472 HE2 HIS 63 HE2 HIS 63 21.618 -4.831 3.662 473 H GLY 64 HN GLY 64 14.286 -5.484 2.504 474 HA2 GLY 64 HA2 GLY 64 12.136 -5.897 3.419 475 HA3 GLY 64 HA1 GLY 64 12.735 -5.375 4.990 476 H MET 65 HN MET 65 13.280 -3.631 2.028 477 HA MET 65 HA MET 65 11.968 -1.301 3.166 478 HB2 MET 65 HB2 MET 65 13.699 -1.707 0.731 479 HB3 MET 65 HB1 MET 65 12.871 -0.191 1.051 480 HG2 MET 65 HG2 MET 65 14.781 -1.480 2.969 481 HG3 MET 65 HG1 MET 65 15.263 -0.284 1.770 482 HE1 MET 65 HE1 MET 65 12.759 1.662 1.752 483 HE2 MET 65 HE2 MET 65 14.424 2.240 1.786 484 HE3 MET 65 HE3 MET 65 13.250 2.867 2.940 485 H ALA 66 HN ALA 66 10.010 -0.667 2.626 486 HA ALA 66 HA ALA 66 8.664 -2.119 0.454 487 HB1 ALA 66 HB1 ALA 66 7.450 -0.800 2.888 488 HB2 ALA 66 HB2 ALA 66 7.719 -2.530 2.681 489 HB3 ALA 66 HB3 ALA 66 6.572 -1.687 1.642 490 H THR 67 HN THR 67 8.618 -0.915 -1.319 491 HA THR 67 HA THR 67 8.340 1.995 -0.991 492 HB THR 67 HB THR 67 9.242 0.849 -3.583 493 HG1 THR 67 HG1 THR 67 10.404 0.161 -1.284 494 HG21 THR 67 HG21 THR 67 10.142 3.190 -1.899 495 HG22 THR 67 HG22 THR 67 8.982 3.273 -3.225 496 HG23 THR 67 HG23 THR 67 10.661 2.839 -3.550 497 H LEU 68 HN LEU 68 6.491 2.857 -1.560 498 HA LEU 68 HA LEU 68 4.409 1.321 -2.787 499 HB2 LEU 68 HB2 LEU 68 4.507 3.469 -1.096 500 HB3 LEU 68 HB1 LEU 68 4.110 4.250 -2.610 501 HG LEU 68 HG LEU 68 2.516 2.054 -1.288 502 HD11 LEU 68 HD11 LEU 68 0.837 3.817 -0.976 503 HD12 LEU 68 HD12 LEU 68 1.976 4.999 -1.624 504 HD13 LEU 68 HD13 LEU 68 2.335 4.165 -0.113 505 HD21 LEU 68 HD21 LEU 68 0.856 2.483 -3.021 506 HD22 LEU 68 HD22 LEU 68 2.379 1.921 -3.715 507 HD23 LEU 68 HD23 LEU 68 1.952 3.629 -3.792 508 H VAL 69 HN VAL 69 4.233 1.013 -4.912 509 HA VAL 69 HA VAL 69 5.759 2.691 -6.734 510 HB VAL 69 HB VAL 69 4.064 0.277 -7.397 511 HG11 VAL 69 HG11 VAL 69 5.538 0.152 -9.384 512 HG12 VAL 69 HG12 VAL 69 6.274 1.680 -8.897 513 HG13 VAL 69 HG13 VAL 69 4.567 1.623 -9.331 514 HG21 VAL 69 HG21 VAL 69 7.009 0.397 -6.747 515 HG22 VAL 69 HG22 VAL 69 6.137 -1.024 -7.327 516 HG23 VAL 69 HG23 VAL 69 5.752 -0.335 -5.748 517 H THR 70 HN THR 70 2.468 1.338 -6.855 518 HA THR 70 HA THR 70 1.461 3.973 -7.632 519 HB THR 70 HB THR 70 -0.046 2.799 -9.320 520 HG1 THR 70 HG1 THR 70 1.304 0.671 -8.396 521 HG21 THR 70 HG21 THR 70 2.920 2.871 -9.882 522 HG22 THR 70 HG22 THR 70 1.801 4.229 -10.021 523 HG23 THR 70 HG23 THR 70 1.642 2.841 -11.099 524 H VAL 71 HN VAL 71 -0.629 4.389 -6.972 525 HA VAL 71 HA VAL 71 -2.036 2.245 -5.551 526 HB VAL 71 HB VAL 71 -0.829 3.476 -3.820 527 HG11 VAL 71 HG11 VAL 71 -0.536 5.601 -4.941 528 HG12 VAL 71 HG12 VAL 71 -1.310 5.833 -3.372 529 HG13 VAL 71 HG13 VAL 71 -2.271 5.905 -4.848 530 HG21 VAL 71 HG21 VAL 71 -2.940 2.622 -3.138 531 HG22 VAL 71 HG22 VAL 71 -3.795 3.973 -3.881 532 HG23 VAL 71 HG23 VAL 71 -2.790 4.245 -2.456 533 H ALA 72 HN ALA 72 -4.129 2.170 -6.024 534 HA ALA 72 HA ALA 72 -5.347 4.527 -7.317 535 HB1 ALA 72 HB1 ALA 72 -5.030 2.676 -8.892 536 HB2 ALA 72 HB2 ALA 72 -6.741 2.986 -8.602 537 HB3 ALA 72 HB3 ALA 72 -5.952 1.613 -7.828 538 HA PRO 73 HA PRO 73 -8.212 4.541 -3.950 539 HB2 PRO 73 HB2 PRO 73 -10.301 5.780 -5.220 540 HB3 PRO 73 HB1 PRO 73 -8.899 6.629 -4.551 541 HG2 PRO 73 HG2 PRO 73 -9.462 5.829 -7.375 542 HG3 PRO 73 HG1 PRO 73 -8.737 7.324 -6.757 543 HD2 PRO 73 HD2 PRO 73 -7.255 5.344 -7.837 544 HD3 PRO 73 HD1 PRO 73 -6.653 6.357 -6.507 545 H GLN 74 HN GLN 74 -8.883 2.522 -3.531 546 HA GLN 74 HA GLN 74 -10.969 1.381 -5.232 547 HB2 GLN 74 HB2 GLN 74 -10.594 -0.723 -4.230 548 HB3 GLN 74 HB1 GLN 74 -8.993 -0.059 -4.512 549 HG2 GLN 74 HG2 GLN 74 -8.591 0.271 -2.275 550 HG3 GLN 74 HG1 GLN 74 -10.306 0.333 -1.870 551 HE21 GLN 74 HE21 GLN 74 -8.159 -1.255 -0.707 552 HE22 GLN 74 HE22 GLN 74 -8.670 -2.897 -0.853 553 H VAL 75 HN VAL 75 -12.545 0.043 -3.598 554 HA VAL 75 HA VAL 75 -13.380 1.881 -1.516 555 HB VAL 75 HB VAL 75 -14.633 2.821 -3.261 556 HG11 VAL 75 HG11 VAL 75 -15.316 0.024 -4.136 557 HG12 VAL 75 HG12 VAL 75 -14.278 1.185 -4.972 558 HG13 VAL 75 HG13 VAL 75 -16.010 1.495 -4.825 559 HG21 VAL 75 HG21 VAL 75 -15.955 2.391 -1.260 560 HG22 VAL 75 HG22 VAL 75 -16.444 0.825 -1.910 561 HG23 VAL 75 HG23 VAL 75 -16.955 2.312 -2.711 562 H GLN 76 HN GLN 76 -13.026 0.476 0.013 563 HA GLN 76 HA GLN 76 -13.162 -1.286 1.357 564 HB2 GLN 76 HB2 GLN 76 -15.553 -0.685 1.340 565 HB3 GLN 76 HB1 GLN 76 -15.792 -1.799 -0.001 566 HG2 GLN 76 HG2 GLN 76 -16.481 -2.781 2.099 567 HG3 GLN 76 HG1 GLN 76 -15.120 -3.653 1.397 568 HE21 GLN 76 HE21 GLN 76 -14.483 -4.527 3.345 569 HE22 GLN 76 HE22 GLN 76 -13.729 -3.580 4.577 570 H THR 77 HN THR 77 -15.017 -3.129 -0.809 571 HA THR 77 HA THR 77 -12.644 -4.729 -1.475 572 HB THR 77 HB THR 77 -15.498 -5.706 -1.400 573 HG1 THR 77 HG1 THR 77 -13.778 -5.187 0.608 574 HG21 THR 77 HG21 THR 77 -14.420 -7.931 -1.388 575 HG22 THR 77 HG22 THR 77 -12.847 -7.149 -1.559 576 HG23 THR 77 HG23 THR 77 -14.045 -7.016 -2.847 577 H ALA 78 HN ALA 78 -12.028 -3.984 -3.376 578 HA ALA 78 HA ALA 78 -13.624 -2.925 -5.401 579 HB1 ALA 78 HB1 ALA 78 -10.944 -4.266 -5.710 580 HB2 ALA 78 HB2 ALA 78 -11.202 -2.583 -5.252 581 HB3 ALA 78 HB3 ALA 78 -11.693 -3.147 -6.848 582 H GLY 79 HN GLY 79 -12.720 -6.255 -4.747 583 HA2 GLY 79 HA2 GLY 79 -14.843 -7.461 -5.957 584 HA3 GLY 79 HA1 GLY 79 -13.683 -7.252 -7.260 585 H ALA 80 HN ALA 80 -13.355 -9.445 -7.543 586 HA ALA 80 HA ALA 80 -12.439 -11.032 -5.281 587 HB1 ALA 80 HB1 ALA 80 -12.868 -11.817 -8.160 588 HB2 ALA 80 HB2 ALA 80 -14.034 -12.020 -6.852 589 HB3 ALA 80 HB3 ALA 80 -12.515 -12.915 -6.827 590 H LYS 81 HN LYS 81 -10.389 -11.840 -5.042 591 HA LYS 81 HA LYS 81 -8.324 -10.498 -6.602 592 HB2 LYS 81 HB2 LYS 81 -6.786 -11.183 -4.870 593 HB3 LYS 81 HB1 LYS 81 -8.209 -10.485 -4.112 594 HG2 LYS 81 HG2 LYS 81 -9.046 -12.676 -3.555 595 HG3 LYS 81 HG1 LYS 81 -7.726 -13.439 -4.442 596 HD2 LYS 81 HD2 LYS 81 -6.129 -12.339 -2.875 597 HD3 LYS 81 HD1 LYS 81 -7.513 -11.770 -1.939 598 HE2 LYS 81 HE2 LYS 81 -6.586 -13.791 -0.956 599 HE3 LYS 81 HE1 LYS 81 -8.210 -14.093 -1.570 600 HZ1 LYS 81 HZ1 LYS 81 -5.706 -14.772 -3.021 601 HZ2 LYS 81 HZ2 LYS 81 -7.285 -15.164 -3.498 602 HZ3 LYS 81 HZ3 LYS 81 -6.618 -15.874 -2.109 603 HA PRO 82 HA PRO 82 -7.247 -14.280 -8.773 604 HB2 PRO 82 HB2 PRO 82 -4.594 -13.134 -9.188 605 HB3 PRO 82 HB1 PRO 82 -5.860 -13.462 -10.374 606 HG2 PRO 82 HG2 PRO 82 -5.133 -10.949 -9.669 607 HG3 PRO 82 HG1 PRO 82 -6.784 -11.370 -10.164 608 HD2 PRO 82 HD2 PRO 82 -5.674 -10.977 -7.404 609 HD3 PRO 82 HD1 PRO 82 -7.224 -10.432 -8.083 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 14.469 -5.125 -4.794 2 H2 GLY 1 HT2 GLY 1 12.946 -4.383 -4.891 3 H3 GLY 1 HT3 GLY 1 13.806 -4.735 -6.306 4 HA2 GLY 1 HA1 GLY 1 13.629 -7.109 -5.835 5 HA3 GLY 1 HA2 GLY 1 12.681 -6.719 -4.407 6 HA PRO 2 HA PRO 2 10.016 -7.371 -8.283 7 HB2 PRO 2 HB2 PRO 2 8.688 -9.344 -6.528 8 HB3 PRO 2 HB1 PRO 2 9.215 -9.503 -8.207 9 HG2 PRO 2 HG2 PRO 2 10.526 -10.733 -6.231 10 HG3 PRO 2 HG1 PRO 2 11.388 -10.032 -7.614 11 HD2 PRO 2 HD2 PRO 2 11.044 -8.936 -4.843 12 HD3 PRO 2 HD1 PRO 2 12.492 -8.958 -5.873 13 H GLU 3 HN GLU 3 7.900 -6.727 -8.570 14 HA GLU 3 HA GLU 3 6.821 -5.105 -6.398 15 HB2 GLU 3 HB2 GLU 3 7.080 -4.091 -8.609 16 HB3 GLU 3 HB1 GLU 3 6.053 -5.328 -9.317 17 HG2 GLU 3 HG2 GLU 3 4.205 -4.505 -7.849 18 HG3 GLU 3 HG1 GLU 3 5.254 -3.165 -7.391 19 H HIS 4 HN HIS 4 5.052 -5.636 -5.259 20 HA HIS 4 HA HIS 4 3.398 -7.873 -6.245 21 HB2 HIS 4 HB2 HIS 4 4.135 -7.362 -3.359 22 HB3 HIS 4 HB1 HIS 4 3.130 -8.671 -3.957 23 HD1 HIS 4 HD1 HIS 4 4.374 -10.544 -5.384 24 HD2 HIS 4 HD2 HIS 4 6.838 -7.861 -3.367 25 HE1 HIS 4 HE1 HIS 4 6.650 -11.622 -5.318 26 HE2 HIS 4 HE2 HIS 4 8.076 -10.060 -3.939 27 H ARG 5 HN ARG 5 1.237 -7.681 -5.982 28 HA ARG 5 HA ARG 5 0.066 -5.129 -5.627 29 HB2 ARG 5 HB2 ARG 5 -1.285 -7.839 -5.583 30 HB3 ARG 5 HB1 ARG 5 -2.072 -6.291 -5.846 31 HG2 ARG 5 HG2 ARG 5 0.003 -7.478 -7.676 32 HG3 ARG 5 HG1 ARG 5 -1.739 -7.627 -7.904 33 HD2 ARG 5 HD2 ARG 5 -1.956 -5.234 -8.123 34 HD3 ARG 5 HD1 ARG 5 -0.247 -5.012 -7.748 35 HE ARG 5 HE ARG 5 -1.240 -6.360 -10.181 36 HH11 ARG 5 HH11 ARG 5 1.006 -4.243 -8.529 37 HH12 ARG 5 HH12 ARG 5 2.034 -4.018 -9.921 38 HH21 ARG 5 HH21 ARG 5 0.074 -6.046 -12.026 39 HH22 ARG 5 HH22 ARG 5 1.488 -5.036 -11.915 40 H ALA 6 HN ALA 6 -1.103 -4.281 -3.898 41 HA ALA 6 HA ALA 6 -1.656 -5.979 -1.608 42 HB1 ALA 6 HB1 ALA 6 0.090 -3.537 -1.332 43 HB2 ALA 6 HB2 ALA 6 0.622 -5.209 -1.168 44 HB3 ALA 6 HB3 ALA 6 -0.522 -4.532 -0.010 45 H VAL 7 HN VAL 7 -3.493 -5.355 -0.594 46 HA VAL 7 HA VAL 7 -4.501 -2.656 -1.182 47 HB VAL 7 HB VAL 7 -6.790 -3.512 -0.959 48 HG11 VAL 7 HG11 VAL 7 -6.898 -4.755 -3.067 49 HG12 VAL 7 HG12 VAL 7 -5.154 -5.008 -3.002 50 HG13 VAL 7 HG13 VAL 7 -5.802 -3.377 -3.175 51 HG21 VAL 7 HG21 VAL 7 -5.491 -6.227 -0.761 52 HG22 VAL 7 HG22 VAL 7 -7.220 -5.930 -0.944 53 HG23 VAL 7 HG23 VAL 7 -6.381 -5.400 0.515 54 H GLY 8 HN GLY 8 -5.624 -1.594 0.531 55 HA2 GLY 8 HA2 GLY 8 -6.056 -2.709 3.066 56 HA3 GLY 8 HA1 GLY 8 -4.468 -1.958 3.062 57 H ARG 9 HN ARG 9 -5.599 -0.712 4.787 58 HA ARG 9 HA ARG 9 -7.169 1.504 3.643 59 HB2 ARG 9 HB2 ARG 9 -8.283 -0.090 5.341 60 HB3 ARG 9 HB1 ARG 9 -7.238 0.663 6.537 61 HG2 ARG 9 HG2 ARG 9 -8.214 2.850 5.989 62 HG3 ARG 9 HG1 ARG 9 -9.289 2.061 4.834 63 HD2 ARG 9 HD2 ARG 9 -10.110 0.645 6.753 64 HD3 ARG 9 HD1 ARG 9 -9.215 1.721 7.824 65 HE ARG 9 HE ARG 9 -11.500 2.510 6.136 66 HH11 ARG 9 HH11 ARG 9 -9.360 3.113 8.841 67 HH12 ARG 9 HH12 ARG 9 -10.378 4.344 9.527 68 HH21 ARG 9 HH21 ARG 9 -12.843 4.136 7.045 69 HH22 ARG 9 HH22 ARG 9 -12.350 4.925 8.516 70 H ILE 10 HN ILE 10 -6.378 3.497 3.886 71 HA ILE 10 HA ILE 10 -3.685 3.853 4.639 72 HB ILE 10 HB ILE 10 -5.749 6.042 4.425 73 HG12 ILE 10 HG12 ILE 10 -5.894 4.673 2.419 74 HG13 ILE 10 HG11 ILE 10 -5.086 6.190 2.038 75 HG21 ILE 10 HG21 ILE 10 -3.819 7.400 3.739 76 HG22 ILE 10 HG22 ILE 10 -2.765 6.012 4.002 77 HG23 ILE 10 HG23 ILE 10 -3.623 6.738 5.361 78 HD11 ILE 10 HD11 ILE 10 -3.995 4.342 0.938 79 HD12 ILE 10 HD12 ILE 10 -3.754 3.531 2.487 80 HD13 ILE 10 HD13 ILE 10 -2.923 5.051 2.145 81 H GLN 11 HN GLN 11 -2.742 4.480 6.483 82 HA GLN 11 HA GLN 11 -4.466 4.679 8.841 83 HB2 GLN 11 HB2 GLN 11 -2.484 3.015 8.561 84 HB3 GLN 11 HB1 GLN 11 -1.478 4.413 8.909 85 HG2 GLN 11 HG2 GLN 11 -1.857 3.145 10.906 86 HG3 GLN 11 HG1 GLN 11 -2.652 4.714 11.033 87 HE21 GLN 11 HE21 GLN 11 -3.893 2.053 9.136 88 HE22 GLN 11 HE22 GLN 11 -5.269 1.722 10.133 89 H SER 12 HN SER 12 -1.651 6.233 7.325 90 HA SER 12 HA SER 12 -2.637 8.854 7.970 91 HB2 SER 12 HB2 SER 12 0.011 8.005 9.181 92 HB3 SER 12 HB1 SER 12 -0.728 9.603 9.282 93 HG SER 12 HG SER 12 -2.515 7.881 10.185 94 H ILE 13 HN ILE 13 -1.510 10.493 6.767 95 HA ILE 13 HA ILE 13 0.154 9.374 4.617 96 HB ILE 13 HB ILE 13 -1.390 11.965 4.764 97 HG12 ILE 13 HG12 ILE 13 -1.641 9.521 3.001 98 HG13 ILE 13 HG11 ILE 13 -2.747 10.002 4.283 99 HG21 ILE 13 HG21 ILE 13 -0.633 12.396 2.466 100 HG22 ILE 13 HG22 ILE 13 0.439 10.998 2.566 101 HG23 ILE 13 HG23 ILE 13 0.706 12.391 3.616 102 HD11 ILE 13 HD11 ILE 13 -3.358 11.990 3.031 103 HD12 ILE 13 HD12 ILE 13 -3.615 10.534 2.065 104 HD13 ILE 13 HD13 ILE 13 -2.209 11.555 1.764 105 H GLY 14 HN GLY 14 2.190 9.960 4.295 106 HA2 GLY 14 HA2 GLY 14 3.259 12.249 5.818 107 HA3 GLY 14 HA1 GLY 14 4.164 10.751 5.633 108 H GLU 15 HN GLU 15 5.176 13.207 4.844 109 HA GLU 15 HA GLU 15 4.655 13.924 2.188 110 HB2 GLU 15 HB2 GLU 15 7.280 14.313 3.623 111 HB3 GLU 15 HB1 GLU 15 6.644 15.267 2.293 112 HG2 GLU 15 HG2 GLU 15 6.204 16.646 4.054 113 HG3 GLU 15 HG1 GLU 15 4.691 15.747 3.962 114 H ARG 16 HN ARG 16 6.992 11.665 3.533 115 HA ARG 16 HA ARG 16 7.738 10.910 0.787 116 HB2 ARG 16 HB2 ARG 16 9.899 10.089 2.201 117 HB3 ARG 16 HB1 ARG 16 9.784 11.630 1.369 118 HG2 ARG 16 HG2 ARG 16 10.641 12.021 3.561 119 HG3 ARG 16 HG1 ARG 16 8.996 12.654 3.493 120 HD2 ARG 16 HD2 ARG 16 8.365 10.291 4.420 121 HD3 ARG 16 HD1 ARG 16 10.054 10.260 4.931 122 HE ARG 16 HE ARG 16 9.343 12.582 5.944 123 HH11 ARG 16 HH11 ARG 16 7.627 9.527 5.959 124 HH12 ARG 16 HH12 ARG 16 6.691 9.904 7.379 125 HH21 ARG 16 HH21 ARG 16 8.118 13.087 7.822 126 HH22 ARG 16 HH22 ARG 16 6.961 11.935 8.421 127 H SER 17 HN SER 17 6.381 9.887 3.673 128 HA SER 17 HA SER 17 6.118 7.217 2.688 129 HB2 SER 17 HB2 SER 17 6.914 6.342 5.045 130 HB3 SER 17 HB1 SER 17 8.073 6.604 3.746 131 HG SER 17 HG SER 17 8.673 7.520 5.825 132 H LEU 18 HN LEU 18 4.346 6.196 3.518 133 HA LEU 18 HA LEU 18 2.885 7.549 5.655 134 HB2 LEU 18 HB2 LEU 18 0.796 7.149 4.092 135 HB3 LEU 18 HB1 LEU 18 1.737 8.625 4.024 136 HG LEU 18 HG LEU 18 3.047 7.393 2.136 137 HD11 LEU 18 HD11 LEU 18 0.425 5.914 2.068 138 HD12 LEU 18 HD12 LEU 18 1.994 5.213 2.457 139 HD13 LEU 18 HD13 LEU 18 1.691 5.850 0.842 140 HD21 LEU 18 HD21 LEU 18 0.252 8.443 1.740 141 HD22 LEU 18 HD22 LEU 18 1.497 8.315 0.497 142 HD23 LEU 18 HD23 LEU 18 1.722 9.412 1.859 143 H ILE 19 HN ILE 19 1.573 6.254 6.853 144 HA ILE 19 HA ILE 19 2.257 3.444 6.677 145 HB ILE 19 HB ILE 19 0.509 4.706 8.782 146 HG12 ILE 19 HG12 ILE 19 3.529 4.480 8.844 147 HG13 ILE 19 HG11 ILE 19 2.653 5.980 8.557 148 HG21 ILE 19 HG21 ILE 19 0.561 2.273 8.729 149 HG22 ILE 19 HG22 ILE 19 1.395 2.870 10.164 150 HG23 ILE 19 HG23 ILE 19 2.325 2.291 8.780 151 HD11 ILE 19 HD11 ILE 19 3.410 5.826 10.853 152 HD12 ILE 19 HD12 ILE 19 2.529 4.311 11.059 153 HD13 ILE 19 HD13 ILE 19 1.648 5.813 10.775 154 H ILE 20 HN ILE 20 0.950 1.883 5.996 155 HA ILE 20 HA ILE 20 -1.919 2.476 5.683 156 HB ILE 20 HB ILE 20 -0.190 0.976 3.706 157 HG12 ILE 20 HG12 ILE 20 -1.622 3.617 3.373 158 HG13 ILE 20 HG11 ILE 20 0.095 3.462 3.729 159 HG21 ILE 20 HG21 ILE 20 -2.439 0.053 3.854 160 HG22 ILE 20 HG22 ILE 20 -2.208 0.891 2.319 161 HG23 ILE 20 HG23 ILE 20 -3.127 1.659 3.613 162 HD11 ILE 20 HD11 ILE 20 0.417 2.269 1.623 163 HD12 ILE 20 HD12 ILE 20 -0.279 3.870 1.371 164 HD13 ILE 20 HD13 ILE 20 -1.303 2.435 1.269 165 H ALA 21 HN ALA 21 -3.093 1.085 6.821 166 HA ALA 21 HA ALA 21 -2.049 -1.422 7.747 167 HB1 ALA 21 HB1 ALA 21 -4.877 -0.369 7.761 168 HB2 ALA 21 HB2 ALA 21 -3.708 -0.232 9.076 169 HB3 ALA 21 HB3 ALA 21 -4.319 -1.817 8.598 170 H HIS 22 HN HIS 22 -1.467 -2.582 5.949 171 HA HIS 22 HA HIS 22 -3.401 -3.041 3.844 172 HB2 HIS 22 HB2 HIS 22 -1.592 -4.361 2.778 173 HB3 HIS 22 HB1 HIS 22 -1.096 -2.716 3.158 174 HD1 HIS 22 HD1 HIS 22 -0.734 -6.237 4.576 175 HD2 HIS 22 HD2 HIS 22 1.224 -2.562 4.567 176 HE1 HIS 22 HE1 HIS 22 1.466 -6.629 5.731 177 HE2 HIS 22 HE2 HIS 22 2.692 -4.434 5.572 178 H GLU 23 HN GLU 23 -4.074 -5.134 3.206 179 HA GLU 23 HA GLU 23 -4.862 -6.830 5.314 180 HB2 GLU 23 HB2 GLU 23 -5.797 -8.246 3.627 181 HB3 GLU 23 HB1 GLU 23 -6.042 -6.576 3.131 182 HG2 GLU 23 HG2 GLU 23 -4.707 -6.754 1.353 183 HG3 GLU 23 HG1 GLU 23 -3.591 -7.864 2.146 184 H ALA 24 HN ALA 24 -4.462 -9.399 4.406 185 HA ALA 24 HA ALA 24 -1.997 -10.050 5.537 186 HB1 ALA 24 HB1 ALA 24 -3.920 -11.577 5.467 187 HB2 ALA 24 HB2 ALA 24 -2.447 -12.327 4.851 188 HB3 ALA 24 HB3 ALA 24 -3.685 -11.763 3.728 189 H ILE 25 HN ILE 25 -3.002 -9.901 2.167 190 HA ILE 25 HA ILE 25 -1.819 -9.539 0.252 191 HB ILE 25 HB ILE 25 0.643 -9.295 1.997 192 HG12 ILE 25 HG12 ILE 25 -1.201 -7.176 0.862 193 HG13 ILE 25 HG11 ILE 25 -0.987 -7.577 2.561 194 HG21 ILE 25 HG21 ILE 25 0.169 -8.508 -0.885 195 HG22 ILE 25 HG22 ILE 25 1.193 -9.825 -0.316 196 HG23 ILE 25 HG23 ILE 25 1.624 -8.155 0.046 197 HD11 ILE 25 HD11 ILE 25 1.324 -6.819 2.455 198 HD12 ILE 25 HD12 ILE 25 0.199 -5.547 1.986 199 HD13 ILE 25 HD13 ILE 25 1.113 -6.412 0.751 200 HA PRO 26 HA PRO 26 -0.717 -13.959 0.124 201 HB2 PRO 26 HB2 PRO 26 -1.829 -14.396 -2.310 202 HB3 PRO 26 HB1 PRO 26 -2.774 -14.398 -0.817 203 HG2 PRO 26 HG2 PRO 26 -2.456 -12.231 -2.855 204 HG3 PRO 26 HG1 PRO 26 -3.922 -12.768 -2.015 205 HD2 PRO 26 HD2 PRO 26 -2.526 -10.556 -1.280 206 HD3 PRO 26 HD1 PRO 26 -3.432 -11.551 -0.121 207 H SER 27 HN SER 27 -0.067 -11.256 -1.894 208 HA SER 27 HA SER 27 1.635 -12.517 -3.789 209 HB2 SER 27 HB2 SER 27 1.590 -9.606 -2.964 210 HB3 SER 27 HB1 SER 27 2.183 -10.270 -4.488 211 HG SER 27 HG SER 27 -0.128 -11.137 -4.591 212 H ALA 28 HN ALA 28 2.094 -11.171 -0.605 213 HA ALA 28 HA ALA 28 4.991 -11.653 -0.845 214 HB1 ALA 28 HB1 ALA 28 4.451 -9.314 -0.401 215 HB2 ALA 28 HB2 ALA 28 5.302 -10.039 0.963 216 HB3 ALA 28 HB3 ALA 28 3.558 -9.788 1.045 217 H GLN 29 HN GLN 29 2.240 -12.967 0.282 218 HA GLN 29 HA GLN 29 1.679 -14.580 1.755 219 HB2 GLN 29 HB2 GLN 29 4.660 -15.018 1.802 220 HB3 GLN 29 HB1 GLN 29 3.498 -16.099 2.554 221 HG2 GLN 29 HG2 GLN 29 3.841 -17.148 0.553 222 HG3 GLN 29 HG1 GLN 29 2.443 -16.151 0.167 223 HE21 GLN 29 HE21 GLN 29 2.824 -15.989 -1.986 224 HE22 GLN 29 HE22 GLN 29 4.171 -15.147 -2.669 225 H TRP 30 HN TRP 30 1.964 -11.945 2.757 226 HA TRP 30 HA TRP 30 3.117 -12.227 5.410 227 HB2 TRP 30 HB2 TRP 30 1.842 -9.894 3.977 228 HB3 TRP 30 HB1 TRP 30 2.314 -9.829 5.671 229 HD1 TRP 30 HD1 TRP 30 5.005 -11.763 4.584 230 HE1 TRP 30 HE1 TRP 30 7.027 -10.381 3.781 231 HE3 TRP 30 HE3 TRP 30 2.669 -7.273 3.883 232 HZ2 TRP 30 HZ2 TRP 30 7.550 -7.724 2.971 233 HZ3 TRP 30 HZ3 TRP 30 4.000 -5.359 3.095 234 HH2 TRP 30 HH2 TRP 30 6.391 -5.581 2.650 235 H GLY 31 HN GLY 31 1.671 -11.157 7.198 236 HA2 GLY 31 HA2 GLY 31 -0.945 -12.530 7.045 237 HA3 GLY 31 HA1 GLY 31 0.068 -12.571 8.478 238 H ALA 32 HN ALA 32 -0.468 -9.725 6.496 239 HA ALA 32 HA ALA 32 -1.602 -7.783 6.782 240 HB1 ALA 32 HB1 ALA 32 -3.622 -7.708 8.105 241 HB2 ALA 32 HB2 ALA 32 -3.193 -9.227 8.894 242 HB3 ALA 32 HB3 ALA 32 -3.564 -9.204 7.170 243 H MET 33 HN MET 33 -0.930 -5.989 7.688 244 HA MET 33 HA MET 33 -0.619 -5.543 10.443 245 HB2 MET 33 HB2 MET 33 1.890 -5.239 10.454 246 HB3 MET 33 HB1 MET 33 1.330 -6.905 10.423 247 HG2 MET 33 HG2 MET 33 1.759 -6.997 8.015 248 HG3 MET 33 HG1 MET 33 2.338 -5.332 8.061 249 HE1 MET 33 HE1 MET 33 3.846 -8.167 7.053 250 HE2 MET 33 HE2 MET 33 5.497 -7.740 7.508 251 HE3 MET 33 HE3 MET 33 4.459 -6.542 6.737 252 H THR 34 HN THR 34 -0.161 -3.400 10.922 253 HA THR 34 HA THR 34 -0.653 -1.561 8.767 254 HB THR 34 HB THR 34 0.065 -0.842 11.613 255 HG1 THR 34 HG1 THR 34 -1.633 -2.268 11.818 256 HG21 THR 34 HG21 THR 34 -0.043 1.007 10.013 257 HG22 THR 34 HG22 THR 34 -1.367 1.100 11.174 258 HG23 THR 34 HG23 THR 34 -1.667 0.510 9.539 259 H MET 35 HN MET 35 1.022 -1.207 7.413 260 HA MET 35 HA MET 35 3.658 -0.685 8.611 261 HB2 MET 35 HB2 MET 35 3.742 -2.855 7.597 262 HB3 MET 35 HB1 MET 35 2.994 -2.256 6.126 263 HG2 MET 35 HG2 MET 35 4.933 -1.080 5.497 264 HG3 MET 35 HG1 MET 35 5.656 -1.267 7.094 265 HE1 MET 35 HE1 MET 35 6.566 -5.013 7.233 266 HE2 MET 35 HE2 MET 35 5.145 -4.185 7.871 267 HE3 MET 35 HE3 MET 35 6.735 -3.433 8.002 268 H GLU 36 HN GLU 36 4.886 0.904 7.745 269 HA GLU 36 HA GLU 36 3.503 2.923 6.210 270 HB2 GLU 36 HB2 GLU 36 4.862 3.500 8.169 271 HB3 GLU 36 HB1 GLU 36 6.285 2.831 7.390 272 HG2 GLU 36 HG2 GLU 36 6.139 4.549 5.661 273 HG3 GLU 36 HG1 GLU 36 4.718 5.225 6.462 274 H PHE 37 HN PHE 37 3.812 3.397 4.111 275 HA PHE 37 HA PHE 37 5.853 1.874 2.624 276 HB2 PHE 37 HB2 PHE 37 3.192 3.006 1.733 277 HB3 PHE 37 HB1 PHE 37 4.382 2.340 0.621 278 HD1 PHE 37 HD1 PHE 37 2.141 1.526 3.443 279 HD2 PHE 37 HD2 PHE 37 4.574 0.019 0.295 280 HE1 PHE 37 HE1 PHE 37 1.201 -0.718 3.798 281 HE2 PHE 37 HE2 PHE 37 3.638 -2.231 0.643 282 HZ PHE 37 HZ PHE 37 1.949 -2.602 2.397 283 H ALA 38 HN ALA 38 7.152 2.953 1.140 284 HA ALA 38 HA ALA 38 7.534 5.772 1.675 285 HB1 ALA 38 HB1 ALA 38 9.033 3.897 -0.159 286 HB2 ALA 38 HB2 ALA 38 9.483 4.323 1.494 287 HB3 ALA 38 HB3 ALA 38 9.509 5.551 0.227 288 H ALA 39 HN ALA 39 7.262 7.449 0.219 289 HA ALA 39 HA ALA 39 5.143 7.170 -1.631 290 HB1 ALA 39 HB1 ALA 39 5.566 9.510 -2.183 291 HB2 ALA 39 HB2 ALA 39 7.110 9.438 -1.332 292 HB3 ALA 39 HB3 ALA 39 5.602 9.259 -0.436 293 HA PRO 40 HA PRO 40 7.215 5.897 -5.363 294 HB2 PRO 40 HB2 PRO 40 5.245 7.663 -6.709 295 HB3 PRO 40 HB1 PRO 40 5.566 5.944 -6.955 296 HG2 PRO 40 HG2 PRO 40 3.366 6.761 -5.689 297 HG3 PRO 40 HG1 PRO 40 4.234 5.302 -5.177 298 HD2 PRO 40 HD2 PRO 40 4.225 8.029 -3.952 299 HD3 PRO 40 HD1 PRO 40 4.242 6.437 -3.165 300 HA PRO 41 HA PRO 41 10.049 9.122 -6.277 301 HB2 PRO 41 HB2 PRO 41 10.612 8.590 -8.914 302 HB3 PRO 41 HB1 PRO 41 11.296 7.700 -7.550 303 HG2 PRO 41 HG2 PRO 41 8.983 6.989 -9.310 304 HG3 PRO 41 HG1 PRO 41 10.282 5.950 -8.693 305 HD2 PRO 41 HD2 PRO 41 7.838 5.946 -7.589 306 HD3 PRO 41 HD1 PRO 41 9.303 5.756 -6.602 307 H ALA 42 HN ALA 42 7.120 8.838 -8.035 308 HA ALA 42 HA ALA 42 7.496 11.313 -9.517 309 HB1 ALA 42 HB1 ALA 42 6.403 9.425 -10.622 310 HB2 ALA 42 HB2 ALA 42 5.320 10.812 -10.505 311 HB3 ALA 42 HB3 ALA 42 5.128 9.447 -9.404 312 H GLY 43 HN GLY 43 6.286 10.304 -6.504 313 HA2 GLY 43 HA2 GLY 43 5.750 12.053 -4.905 314 HA3 GLY 43 HA1 GLY 43 4.876 12.866 -6.195 315 H LEU 44 HN LEU 44 3.285 12.774 -4.346 316 HA LEU 44 HA LEU 44 1.812 10.231 -4.384 317 HB2 LEU 44 HB2 LEU 44 1.697 12.478 -2.382 318 HB3 LEU 44 HB1 LEU 44 0.713 11.035 -2.324 319 HG LEU 44 HG LEU 44 3.724 10.972 -2.194 320 HD11 LEU 44 HD11 LEU 44 3.445 10.622 0.221 321 HD12 LEU 44 HD12 LEU 44 1.715 10.934 0.059 322 HD13 LEU 44 HD13 LEU 44 2.878 12.215 -0.282 323 HD21 LEU 44 HD21 LEU 44 2.639 8.913 -2.952 324 HD22 LEU 44 HD22 LEU 44 1.603 8.929 -1.526 325 HD23 LEU 44 HD23 LEU 44 3.344 8.708 -1.349 326 HA PRO 45 HA PRO 45 -1.546 12.431 -6.379 327 HB2 PRO 45 HB2 PRO 45 -3.195 10.333 -6.585 328 HB3 PRO 45 HB1 PRO 45 -1.753 10.474 -7.596 329 HG2 PRO 45 HG2 PRO 45 -2.252 8.746 -5.233 330 HG3 PRO 45 HG1 PRO 45 -1.254 8.440 -6.662 331 HD2 PRO 45 HD2 PRO 45 -0.337 9.291 -4.139 332 HD3 PRO 45 HD1 PRO 45 0.593 9.276 -5.650 333 H GLN 46 HN GLN 46 -4.109 11.925 -5.993 334 HA GLN 46 HA GLN 46 -4.545 12.377 -3.129 335 HB2 GLN 46 HB2 GLN 46 -6.324 13.894 -3.692 336 HB3 GLN 46 HB1 GLN 46 -4.876 14.389 -4.549 337 HG2 GLN 46 HG2 GLN 46 -7.116 12.802 -5.772 338 HG3 GLN 46 HG1 GLN 46 -6.955 14.551 -5.877 339 HE21 GLN 46 HE21 GLN 46 -5.807 11.486 -6.991 340 HE22 GLN 46 HE22 GLN 46 -4.824 12.099 -8.288 341 H GLY 47 HN GLY 47 -6.339 11.436 -2.180 342 HA2 GLY 47 HA2 GLY 47 -8.473 10.261 -2.428 343 HA3 GLY 47 HA1 GLY 47 -7.795 9.476 -3.849 344 H LEU 48 HN LEU 48 -5.646 9.878 -1.247 345 HA LEU 48 HA LEU 48 -6.042 7.117 -0.370 346 HB2 LEU 48 HB2 LEU 48 -3.441 7.088 -0.380 347 HB3 LEU 48 HB1 LEU 48 -4.332 6.771 -1.848 348 HG LEU 48 HG LEU 48 -3.898 9.062 -2.621 349 HD11 LEU 48 HD11 LEU 48 -2.287 10.487 -1.453 350 HD12 LEU 48 HD12 LEU 48 -2.261 9.350 -0.105 351 HD13 LEU 48 HD13 LEU 48 -3.742 10.227 -0.492 352 HD21 LEU 48 HD21 LEU 48 -2.359 7.272 -3.204 353 HD22 LEU 48 HD22 LEU 48 -1.419 7.598 -1.750 354 HD23 LEU 48 HD23 LEU 48 -1.514 8.809 -3.027 355 H LYS 49 HN LYS 49 -6.938 9.200 1.188 356 HA LYS 49 HA LYS 49 -4.746 9.878 2.999 357 HB2 LYS 49 HB2 LYS 49 -6.251 11.517 4.000 358 HB3 LYS 49 HB1 LYS 49 -6.124 11.747 2.263 359 HG2 LYS 49 HG2 LYS 49 -8.284 10.890 1.891 360 HG3 LYS 49 HG1 LYS 49 -8.389 10.239 3.530 361 HD2 LYS 49 HD2 LYS 49 -9.709 12.290 3.295 362 HD3 LYS 49 HD1 LYS 49 -8.389 12.497 4.445 363 HE2 LYS 49 HE2 LYS 49 -7.062 13.608 2.693 364 HE3 LYS 49 HE1 LYS 49 -8.410 13.428 1.572 365 HZ1 LYS 49 HZ1 LYS 49 -8.360 15.639 2.551 366 HZ2 LYS 49 HZ2 LYS 49 -8.458 14.980 4.107 367 HZ3 LYS 49 HZ3 LYS 49 -9.759 14.811 3.032 368 H ALA 50 HN ALA 50 -5.233 9.903 5.349 369 HA ALA 50 HA ALA 50 -5.557 7.364 6.324 370 HB1 ALA 50 HB1 ALA 50 -6.128 9.949 7.764 371 HB2 ALA 50 HB2 ALA 50 -4.550 9.177 7.586 372 HB3 ALA 50 HB3 ALA 50 -5.816 8.389 8.531 373 H GLY 51 HN GLY 51 -7.253 6.067 6.098 374 HA2 GLY 51 HA2 GLY 51 -9.419 5.571 7.159 375 HA3 GLY 51 HA1 GLY 51 -9.920 7.189 6.691 376 H ASP 52 HN ASP 52 -8.236 6.406 4.093 377 HA ASP 52 HA ASP 52 -10.586 5.336 2.725 378 HB2 ASP 52 HB2 ASP 52 -8.044 6.601 1.741 379 HB3 ASP 52 HB1 ASP 52 -9.084 5.684 0.659 380 H ARG 53 HN ARG 53 -10.442 3.594 1.263 381 HA ARG 53 HA ARG 53 -8.230 1.753 1.816 382 HB2 ARG 53 HB2 ARG 53 -10.459 0.878 2.355 383 HB3 ARG 53 HB1 ARG 53 -10.981 1.176 0.705 384 HG2 ARG 53 HG2 ARG 53 -9.584 -0.499 -0.163 385 HG3 ARG 53 HG1 ARG 53 -8.661 -0.602 1.335 386 HD2 ARG 53 HD2 ARG 53 -10.426 -1.680 2.466 387 HD3 ARG 53 HD1 ARG 53 -11.584 -1.281 1.197 388 HE ARG 53 HE ARG 53 -10.347 -2.865 -0.236 389 HH11 ARG 53 HH11 ARG 53 -10.021 -3.141 3.247 390 HH12 ARG 53 HH12 ARG 53 -9.620 -4.834 3.195 391 HH21 ARG 53 HH21 ARG 53 -9.820 -5.080 -0.301 392 HH22 ARG 53 HH22 ARG 53 -9.482 -5.934 1.174 393 H VAL 54 HN VAL 54 -6.847 1.346 0.214 394 HA VAL 54 HA VAL 54 -7.563 2.150 -2.518 395 HB VAL 54 HB VAL 54 -5.146 2.916 -2.774 396 HG11 VAL 54 HG11 VAL 54 -5.577 5.115 -1.755 397 HG12 VAL 54 HG12 VAL 54 -6.936 4.427 -0.864 398 HG13 VAL 54 HG13 VAL 54 -6.984 4.504 -2.626 399 HG21 VAL 54 HG21 VAL 54 -3.958 3.540 -0.742 400 HG22 VAL 54 HG22 VAL 54 -4.281 1.806 -0.762 401 HG23 VAL 54 HG23 VAL 54 -5.262 2.875 0.244 402 H ALA 55 HN ALA 55 -6.436 1.057 -4.184 403 HA ALA 55 HA ALA 55 -5.212 -1.484 -3.328 404 HB1 ALA 55 HB1 ALA 55 -6.460 -0.800 -5.995 405 HB2 ALA 55 HB2 ALA 55 -7.237 -1.727 -4.710 406 HB3 ALA 55 HB3 ALA 55 -5.804 -2.366 -5.518 407 H PHE 56 HN PHE 56 -3.091 -1.703 -3.665 408 HA PHE 56 HA PHE 56 -1.775 0.036 -5.607 409 HB2 PHE 56 HB2 PHE 56 -0.148 0.771 -3.874 410 HB3 PHE 56 HB1 PHE 56 -1.781 1.337 -3.586 411 HD1 PHE 56 HD1 PHE 56 -3.102 0.482 -1.729 412 HD2 PHE 56 HD2 PHE 56 0.912 -0.784 -2.370 413 HE1 PHE 56 HE1 PHE 56 -3.019 -0.411 0.564 414 HE2 PHE 56 HE2 PHE 56 0.995 -1.681 -0.080 415 HZ PHE 56 HZ PHE 56 -0.971 -1.494 1.387 416 H SER 57 HN SER 57 0.765 -0.476 -5.464 417 HA SER 57 HA SER 57 1.165 -3.182 -4.416 418 HB2 SER 57 HB2 SER 57 2.190 -2.224 -7.092 419 HB3 SER 57 HB1 SER 57 2.498 -3.790 -6.370 420 HG SER 57 HG SER 57 -0.152 -3.207 -6.462 421 H PHE 58 HN PHE 58 3.769 -3.515 -4.723 422 HA PHE 58 HA PHE 58 5.283 -1.150 -4.219 423 HB2 PHE 58 HB2 PHE 58 5.938 -1.648 -1.928 424 HB3 PHE 58 HB1 PHE 58 4.193 -1.428 -2.014 425 HD1 PHE 58 HD1 PHE 58 2.703 -3.440 -1.961 426 HD2 PHE 58 HD2 PHE 58 6.877 -3.672 -1.163 427 HE1 PHE 58 HE1 PHE 58 2.372 -5.617 -0.868 428 HE2 PHE 58 HE2 PHE 58 6.548 -5.850 -0.068 429 HZ PHE 58 HZ PHE 58 4.302 -6.843 0.041 430 H ARG 59 HN ARG 59 7.533 -1.584 -4.003 431 HA ARG 59 HA ARG 59 8.292 -4.315 -4.793 432 HB2 ARG 59 HB2 ARG 59 9.924 -1.769 -4.943 433 HB3 ARG 59 HB1 ARG 59 10.435 -3.354 -5.501 434 HG2 ARG 59 HG2 ARG 59 8.599 -3.321 -7.153 435 HG3 ARG 59 HG1 ARG 59 8.207 -1.680 -6.631 436 HD2 ARG 59 HD2 ARG 59 10.743 -2.648 -7.939 437 HD3 ARG 59 HD1 ARG 59 9.567 -1.501 -8.582 438 HE ARG 59 HE ARG 59 10.845 -0.709 -6.100 439 HH11 ARG 59 HH11 ARG 59 10.877 -0.522 -9.606 440 HH12 ARG 59 HH12 ARG 59 11.911 0.873 -9.635 441 HH21 ARG 59 HH21 ARG 59 12.204 1.114 -6.155 442 HH22 ARG 59 HH22 ARG 59 12.651 1.810 -7.684 443 H LEU 60 HN LEU 60 9.653 -5.485 -3.504 444 HA LEU 60 HA LEU 60 10.063 -4.425 -0.828 445 HB2 LEU 60 HB2 LEU 60 10.079 -7.125 -2.036 446 HB3 LEU 60 HB1 LEU 60 11.125 -6.875 -0.654 447 HG LEU 60 HG LEU 60 8.145 -6.393 -0.693 448 HD11 LEU 60 HD11 LEU 60 8.729 -8.769 -0.784 449 HD12 LEU 60 HD12 LEU 60 8.035 -8.332 0.778 450 HD13 LEU 60 HD13 LEU 60 9.777 -8.560 0.620 451 HD21 LEU 60 HD21 LEU 60 10.165 -6.237 1.543 452 HD22 LEU 60 HD22 LEU 60 8.416 -6.092 1.729 453 HD23 LEU 60 HD23 LEU 60 9.309 -4.876 0.815 454 H ASP 61 HN ASP 61 11.797 -3.373 -0.366 455 HA ASP 61 HA ASP 61 14.215 -3.682 -1.933 456 HB2 ASP 61 HB2 ASP 61 13.445 -1.781 0.283 457 HB3 ASP 61 HB1 ASP 61 15.048 -1.816 -0.424 458 HA PRO 62 HA PRO 62 16.447 -6.451 0.264 459 HB2 PRO 62 HB2 PRO 62 18.598 -4.585 1.083 460 HB3 PRO 62 HB1 PRO 62 18.680 -6.025 0.063 461 HG2 PRO 62 HG2 PRO 62 18.845 -3.594 -1.010 462 HG3 PRO 62 HG1 PRO 62 17.947 -4.892 -1.825 463 HD2 PRO 62 HD2 PRO 62 16.901 -2.603 -0.194 464 HD3 PRO 62 HD1 PRO 62 16.287 -3.264 -1.721 465 H HIS 63 HN HIS 63 15.756 -3.672 2.202 466 HA HIS 63 HA HIS 63 16.623 -4.971 4.673 467 HB2 HIS 63 HB2 HIS 63 15.704 -2.244 3.926 468 HB3 HIS 63 HB1 HIS 63 15.416 -2.781 5.572 469 HD1 HIS 63 HD1 HIS 63 17.462 -3.004 7.124 470 HD2 HIS 63 HD2 HIS 63 18.399 -1.832 3.246 471 HE1 HIS 63 HE1 HIS 63 19.840 -2.211 7.211 472 HE2 HIS 63 HE2 HIS 63 20.452 -1.722 4.817 473 H GLY 64 HN GLY 64 14.031 -5.264 2.765 474 HA2 GLY 64 HA2 GLY 64 11.937 -6.228 3.234 475 HA3 GLY 64 HA1 GLY 64 12.203 -5.906 4.948 476 H MET 65 HN MET 65 12.762 -3.572 2.483 477 HA MET 65 HA MET 65 10.953 -1.705 3.755 478 HB2 MET 65 HB2 MET 65 12.843 -1.393 1.408 479 HB3 MET 65 HB1 MET 65 11.928 -0.084 2.143 480 HG2 MET 65 HG2 MET 65 13.231 -0.032 4.021 481 HG3 MET 65 HG1 MET 65 13.716 -1.719 3.868 482 HE1 MET 65 HE1 MET 65 13.780 1.011 1.022 483 HE2 MET 65 HE2 MET 65 15.406 1.665 1.211 484 HE3 MET 65 HE3 MET 65 14.200 1.928 2.470 485 H ALA 66 HN ALA 66 9.216 -0.702 2.702 486 HA ALA 66 HA ALA 66 8.210 -2.225 0.402 487 HB1 ALA 66 HB1 ALA 66 6.602 -1.156 2.722 488 HB2 ALA 66 HB2 ALA 66 7.008 -2.849 2.438 489 HB3 ALA 66 HB3 ALA 66 5.954 -1.993 1.312 490 H THR 67 HN THR 67 8.649 -0.842 -1.178 491 HA THR 67 HA THR 67 8.070 1.990 -0.765 492 HB THR 67 HB THR 67 9.461 0.850 -3.181 493 HG1 THR 67 HG1 THR 67 10.961 0.177 -1.797 494 HG21 THR 67 HG21 THR 67 8.781 3.217 -3.184 495 HG22 THR 67 HG22 THR 67 10.537 3.045 -3.166 496 HG23 THR 67 HG23 THR 67 9.677 3.463 -1.682 497 H LEU 68 HN LEU 68 6.259 2.814 -1.495 498 HA LEU 68 HA LEU 68 4.315 1.303 -2.859 499 HB2 LEU 68 HB2 LEU 68 3.851 3.195 -1.316 500 HB3 LEU 68 HB1 LEU 68 4.485 4.292 -2.523 501 HG LEU 68 HG LEU 68 2.669 3.658 -4.053 502 HD11 LEU 68 HD11 LEU 68 1.646 2.055 -1.718 503 HD12 LEU 68 HD12 LEU 68 2.284 1.397 -3.225 504 HD13 LEU 68 HD13 LEU 68 0.794 2.342 -3.236 505 HD21 LEU 68 HD21 LEU 68 2.428 5.596 -2.603 506 HD22 LEU 68 HD22 LEU 68 1.772 4.576 -1.325 507 HD23 LEU 68 HD23 LEU 68 0.875 4.791 -2.827 508 H VAL 69 HN VAL 69 3.980 0.978 -4.945 509 HA VAL 69 HA VAL 69 5.696 2.378 -6.842 510 HB VAL 69 HB VAL 69 4.918 0.576 -8.412 511 HG11 VAL 69 HG11 VAL 69 7.071 0.466 -7.253 512 HG12 VAL 69 HG12 VAL 69 6.365 -1.139 -7.448 513 HG13 VAL 69 HG13 VAL 69 6.280 -0.323 -5.883 514 HG21 VAL 69 HG21 VAL 69 3.769 -0.613 -5.936 515 HG22 VAL 69 HG22 VAL 69 3.966 -1.438 -7.483 516 HG23 VAL 69 HG23 VAL 69 2.874 -0.060 -7.349 517 H THR 70 HN THR 70 2.344 1.252 -6.697 518 HA THR 70 HA THR 70 1.404 3.736 -7.882 519 HB THR 70 HB THR 70 -0.088 2.283 -9.429 520 HG1 THR 70 HG1 THR 70 2.066 0.497 -9.558 521 HG21 THR 70 HG21 THR 70 1.597 3.816 -10.285 522 HG22 THR 70 HG22 THR 70 1.594 2.320 -11.220 523 HG23 THR 70 HG23 THR 70 2.852 2.605 -10.018 524 H VAL 71 HN VAL 71 -0.636 4.256 -7.181 525 HA VAL 71 HA VAL 71 -2.120 2.202 -5.691 526 HB VAL 71 HB VAL 71 -0.812 3.592 -4.084 527 HG11 VAL 71 HG11 VAL 71 -0.825 5.689 -5.325 528 HG12 VAL 71 HG12 VAL 71 -1.456 5.900 -3.691 529 HG13 VAL 71 HG13 VAL 71 -2.565 5.833 -5.058 530 HG21 VAL 71 HG21 VAL 71 -2.847 2.540 -3.334 531 HG22 VAL 71 HG22 VAL 71 -3.806 3.887 -3.948 532 HG23 VAL 71 HG23 VAL 71 -2.700 4.138 -2.596 533 H ALA 72 HN ALA 72 -4.303 2.296 -5.917 534 HA ALA 72 HA ALA 72 -5.467 4.668 -7.211 535 HB1 ALA 72 HB1 ALA 72 -6.855 3.238 -8.620 536 HB2 ALA 72 HB2 ALA 72 -6.090 1.801 -7.942 537 HB3 ALA 72 HB3 ALA 72 -5.144 2.927 -8.916 538 HA PRO 73 HA PRO 73 -8.323 4.639 -3.829 539 HB2 PRO 73 HB2 PRO 73 -10.234 5.496 -5.954 540 HB3 PRO 73 HB1 PRO 73 -9.905 6.226 -4.379 541 HG2 PRO 73 HG2 PRO 73 -8.939 7.332 -6.586 542 HG3 PRO 73 HG1 PRO 73 -7.940 7.240 -5.122 543 HD2 PRO 73 HD2 PRO 73 -7.825 5.582 -7.606 544 HD3 PRO 73 HD1 PRO 73 -6.500 6.184 -6.587 545 H GLN 74 HN GLN 74 -8.975 2.699 -3.127 546 HA GLN 74 HA GLN 74 -10.434 0.870 -4.847 547 HB2 GLN 74 HB2 GLN 74 -8.616 0.535 -2.800 548 HB3 GLN 74 HB1 GLN 74 -10.147 0.179 -2.013 549 HG2 GLN 74 HG2 GLN 74 -10.604 -1.403 -3.926 550 HG3 GLN 74 HG1 GLN 74 -8.917 -1.155 -4.374 551 HE21 GLN 74 HE21 GLN 74 -7.978 -0.935 -1.660 552 HE22 GLN 74 HE22 GLN 74 -8.020 -2.524 -0.993 553 H VAL 75 HN VAL 75 -12.320 -0.283 -3.724 554 HA VAL 75 HA VAL 75 -13.853 1.511 -1.982 555 HB VAL 75 HB VAL 75 -15.183 -0.013 -4.225 556 HG11 VAL 75 HG11 VAL 75 -16.157 2.198 -2.416 557 HG12 VAL 75 HG12 VAL 75 -16.585 0.490 -2.296 558 HG13 VAL 75 HG13 VAL 75 -17.091 1.429 -3.702 559 HG21 VAL 75 HG21 VAL 75 -15.449 2.141 -5.382 560 HG22 VAL 75 HG22 VAL 75 -13.757 1.661 -5.246 561 HG23 VAL 75 HG23 VAL 75 -14.410 2.901 -4.175 562 H GLN 76 HN GLN 76 -13.000 0.065 -0.406 563 HA GLN 76 HA GLN 76 -12.764 -1.834 0.795 564 HB2 GLN 76 HB2 GLN 76 -14.999 -2.777 1.561 565 HB3 GLN 76 HB1 GLN 76 -14.639 -1.098 1.912 566 HG2 GLN 76 HG2 GLN 76 -15.990 -0.516 -0.139 567 HG3 GLN 76 HG1 GLN 76 -16.513 -2.199 -0.158 568 HE21 GLN 76 HE21 GLN 76 -17.870 -2.958 1.485 569 HE22 GLN 76 HE22 GLN 76 -18.733 -1.871 2.522 570 H THR 77 HN THR 77 -15.519 -3.372 -0.534 571 HA THR 77 HA THR 77 -13.890 -5.706 -0.988 572 HB THR 77 HB THR 77 -16.864 -5.493 -1.430 573 HG1 THR 77 HG1 THR 77 -17.103 -5.300 0.670 574 HG21 THR 77 HG21 THR 77 -15.087 -7.778 -0.555 575 HG22 THR 77 HG22 THR 77 -15.797 -7.585 -2.158 576 HG23 THR 77 HG23 THR 77 -16.836 -7.852 -0.757 577 H ALA 78 HN ALA 78 -14.621 -3.155 -2.917 578 HA ALA 78 HA ALA 78 -15.258 -4.477 -5.368 579 HB1 ALA 78 HB1 ALA 78 -14.067 -1.735 -4.967 580 HB2 ALA 78 HB2 ALA 78 -15.790 -2.108 -4.984 581 HB3 ALA 78 HB3 ALA 78 -14.824 -2.346 -6.439 582 H GLY 79 HN GLY 79 -13.888 -5.975 -6.082 583 HA2 GLY 79 HA2 GLY 79 -11.705 -5.861 -7.475 584 HA3 GLY 79 HA1 GLY 79 -10.994 -5.468 -5.913 585 H ALA 80 HN ALA 80 -13.195 -7.300 -4.788 586 HA ALA 80 HA ALA 80 -12.183 -9.914 -5.629 587 HB1 ALA 80 HB1 ALA 80 -12.286 -9.026 -2.742 588 HB2 ALA 80 HB2 ALA 80 -10.818 -9.267 -3.691 589 HB3 ALA 80 HB3 ALA 80 -11.864 -10.639 -3.319 590 H LYS 81 HN LYS 81 -13.569 -11.686 -4.504 591 HA LYS 81 HA LYS 81 -16.345 -10.785 -4.605 592 HB2 LYS 81 HB2 LYS 81 -16.956 -13.135 -4.827 593 HB3 LYS 81 HB1 LYS 81 -15.761 -12.691 -6.036 594 HG2 LYS 81 HG2 LYS 81 -14.061 -13.895 -4.962 595 HG3 LYS 81 HG1 LYS 81 -14.977 -14.009 -3.457 596 HD2 LYS 81 HD2 LYS 81 -16.619 -15.447 -4.585 597 HD3 LYS 81 HD1 LYS 81 -15.667 -15.356 -6.067 598 HE2 LYS 81 HE2 LYS 81 -13.844 -16.515 -5.054 599 HE3 LYS 81 HE1 LYS 81 -14.587 -16.401 -3.457 600 HZ1 LYS 81 HZ1 LYS 81 -16.304 -17.886 -4.116 601 HZ2 LYS 81 HZ2 LYS 81 -14.829 -18.609 -4.546 602 HZ3 LYS 81 HZ3 LYS 81 -15.794 -17.875 -5.732 603 HA PRO 82 HA PRO 82 -16.579 -11.298 -0.182 604 HB2 PRO 82 HB2 PRO 82 -19.155 -10.566 0.108 605 HB3 PRO 82 HB1 PRO 82 -17.881 -9.394 -0.240 606 HG2 PRO 82 HG2 PRO 82 -19.915 -10.577 -2.064 607 HG3 PRO 82 HG1 PRO 82 -19.253 -8.935 -2.034 608 HD2 PRO 82 HD2 PRO 82 -18.462 -10.950 -3.771 609 HD3 PRO 82 HD1 PRO 82 -17.519 -9.499 -3.389 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 15.062 -6.249 -7.130 2 H2 GLY 1 HT2 GLY 1 13.809 -6.342 -8.269 3 H3 GLY 1 HT3 GLY 1 14.097 -7.640 -7.224 4 HA2 GLY 1 HA1 GLY 1 13.406 -6.377 -5.331 5 HA3 GLY 1 HA2 GLY 1 13.250 -4.942 -6.330 6 HA PRO 2 HA PRO 2 9.809 -8.312 -7.355 7 HB2 PRO 2 HB2 PRO 2 9.257 -9.071 -4.543 8 HB3 PRO 2 HB1 PRO 2 9.343 -10.082 -5.990 9 HG2 PRO 2 HG2 PRO 2 11.304 -10.159 -4.211 10 HG3 PRO 2 HG1 PRO 2 11.664 -10.166 -5.950 11 HD2 PRO 2 HD2 PRO 2 11.772 -7.864 -4.019 12 HD3 PRO 2 HD1 PRO 2 12.972 -8.355 -5.237 13 H GLU 3 HN GLU 3 8.098 -7.220 -7.837 14 HA GLU 3 HA GLU 3 6.985 -5.273 -5.952 15 HB2 GLU 3 HB2 GLU 3 7.525 -4.535 -8.260 16 HB3 GLU 3 HB1 GLU 3 6.390 -5.722 -8.892 17 HG2 GLU 3 HG2 GLU 3 4.578 -4.557 -7.659 18 HG3 GLU 3 HG1 GLU 3 5.746 -3.317 -7.204 19 H HIS 4 HN HIS 4 5.216 -5.726 -4.825 20 HA HIS 4 HA HIS 4 3.509 -7.958 -5.732 21 HB2 HIS 4 HB2 HIS 4 4.051 -7.289 -2.833 22 HB3 HIS 4 HB1 HIS 4 3.210 -8.692 -3.471 23 HD1 HIS 4 HD1 HIS 4 4.790 -10.466 -4.773 24 HD2 HIS 4 HD2 HIS 4 6.704 -7.620 -2.421 25 HE1 HIS 4 HE1 HIS 4 7.072 -11.400 -4.301 26 HE2 HIS 4 HE2 HIS 4 8.086 -9.800 -2.639 27 H ARG 5 HN ARG 5 1.438 -7.370 -6.011 28 HA ARG 5 HA ARG 5 0.546 -4.779 -5.185 29 HB2 ARG 5 HB2 ARG 5 -0.793 -7.064 -6.588 30 HB3 ARG 5 HB1 ARG 5 -1.733 -5.699 -5.992 31 HG2 ARG 5 HG2 ARG 5 -0.207 -4.206 -7.302 32 HG3 ARG 5 HG1 ARG 5 0.480 -5.661 -8.024 33 HD2 ARG 5 HD2 ARG 5 -1.636 -6.253 -8.983 34 HD3 ARG 5 HD1 ARG 5 -2.443 -4.941 -8.121 35 HE ARG 5 HE ARG 5 -0.308 -4.061 -9.845 36 HH11 ARG 5 HH11 ARG 5 -3.719 -4.867 -9.676 37 HH12 ARG 5 HH12 ARG 5 -4.144 -3.873 -11.035 38 HH21 ARG 5 HH21 ARG 5 -0.887 -2.735 -11.620 39 HH22 ARG 5 HH22 ARG 5 -2.543 -2.676 -12.142 40 H ALA 6 HN ALA 6 -0.890 -4.218 -3.641 41 HA ALA 6 HA ALA 6 -1.930 -6.262 -1.853 42 HB1 ALA 6 HB1 ALA 6 -0.132 -4.046 -0.878 43 HB2 ALA 6 HB2 ALA 6 0.293 -5.756 -0.963 44 HB3 ALA 6 HB3 ALA 6 -0.981 -5.218 0.131 45 H VAL 7 HN VAL 7 -3.741 -5.627 -0.776 46 HA VAL 7 HA VAL 7 -4.687 -2.894 -1.311 47 HB VAL 7 HB VAL 7 -6.982 -3.789 -0.906 48 HG11 VAL 7 HG11 VAL 7 -6.186 -3.444 -3.155 49 HG12 VAL 7 HG12 VAL 7 -7.170 -4.909 -3.093 50 HG13 VAL 7 HG13 VAL 7 -5.411 -5.028 -3.157 51 HG21 VAL 7 HG21 VAL 7 -6.446 -5.766 0.388 52 HG22 VAL 7 HG22 VAL 7 -5.569 -6.456 -0.978 53 HG23 VAL 7 HG23 VAL 7 -7.316 -6.232 -1.073 54 H GLY 8 HN GLY 8 -5.762 -1.759 0.371 55 HA2 GLY 8 HA2 GLY 8 -6.203 -2.777 2.947 56 HA3 GLY 8 HA1 GLY 8 -4.605 -2.047 2.914 57 H ARG 9 HN ARG 9 -5.627 -0.656 4.567 58 HA ARG 9 HA ARG 9 -7.111 1.562 3.307 59 HB2 ARG 9 HB2 ARG 9 -8.435 0.118 4.946 60 HB3 ARG 9 HB1 ARG 9 -7.370 0.735 6.201 61 HG2 ARG 9 HG2 ARG 9 -8.105 3.010 5.719 62 HG3 ARG 9 HG1 ARG 9 -9.162 2.399 4.444 63 HD2 ARG 9 HD2 ARG 9 -10.283 0.992 6.200 64 HD3 ARG 9 HD1 ARG 9 -9.352 1.885 7.404 65 HE ARG 9 HE ARG 9 -10.812 3.612 5.641 66 HH11 ARG 9 HH11 ARG 9 -11.017 1.662 8.534 67 HH12 ARG 9 HH12 ARG 9 -12.407 2.489 9.155 68 HH21 ARG 9 HH21 ARG 9 -12.650 4.722 6.457 69 HH22 ARG 9 HH22 ARG 9 -13.328 4.230 7.976 70 H ILE 10 HN ILE 10 -6.317 3.601 3.720 71 HA ILE 10 HA ILE 10 -3.612 3.764 4.568 72 HB ILE 10 HB ILE 10 -5.523 6.073 4.246 73 HG12 ILE 10 HG12 ILE 10 -5.586 4.669 2.236 74 HG13 ILE 10 HG11 ILE 10 -4.773 6.196 1.911 75 HG21 ILE 10 HG21 ILE 10 -2.525 5.863 4.024 76 HG22 ILE 10 HG22 ILE 10 -3.432 6.633 5.327 77 HG23 ILE 10 HG23 ILE 10 -3.474 7.314 3.701 78 HD11 ILE 10 HD11 ILE 10 -2.610 5.050 2.140 79 HD12 ILE 10 HD12 ILE 10 -3.610 4.403 0.840 80 HD13 ILE 10 HD13 ILE 10 -3.474 3.525 2.364 81 H GLN 11 HN GLN 11 -2.759 4.289 6.475 82 HA GLN 11 HA GLN 11 -4.597 4.515 8.729 83 HB2 GLN 11 HB2 GLN 11 -2.462 2.942 8.465 84 HB3 GLN 11 HB1 GLN 11 -1.637 4.369 9.078 85 HG2 GLN 11 HG2 GLN 11 -2.225 2.774 10.839 86 HG3 GLN 11 HG1 GLN 11 -2.982 4.349 11.072 87 HE21 GLN 11 HE21 GLN 11 -3.504 1.039 10.084 88 HE22 GLN 11 HE22 GLN 11 -5.213 1.039 10.321 89 H SER 12 HN SER 12 -1.703 6.104 7.413 90 HA SER 12 HA SER 12 -2.725 8.717 8.024 91 HB2 SER 12 HB2 SER 12 -0.225 7.789 9.465 92 HB3 SER 12 HB1 SER 12 -0.885 9.423 9.483 93 HG SER 12 HG SER 12 -2.786 7.653 10.197 94 H ILE 13 HN ILE 13 -1.480 10.378 7.014 95 HA ILE 13 HA ILE 13 0.342 9.366 4.942 96 HB ILE 13 HB ILE 13 -1.256 11.915 5.196 97 HG12 ILE 13 HG12 ILE 13 -1.159 9.733 3.105 98 HG13 ILE 13 HG11 ILE 13 -2.417 9.957 4.315 99 HG21 ILE 13 HG21 ILE 13 0.928 12.580 4.387 100 HG22 ILE 13 HG22 ILE 13 -0.257 12.676 3.085 101 HG23 ILE 13 HG23 ILE 13 0.878 11.327 3.148 102 HD11 ILE 13 HD11 ILE 13 -3.039 12.073 3.295 103 HD12 ILE 13 HD12 ILE 13 -3.111 10.759 2.119 104 HD13 ILE 13 HD13 ILE 13 -1.755 11.887 2.101 105 H GLY 14 HN GLY 14 2.451 9.911 4.915 106 HA2 GLY 14 HA2 GLY 14 3.463 11.594 7.100 107 HA3 GLY 14 HA1 GLY 14 4.390 10.388 6.222 108 H GLU 15 HN GLU 15 6.035 11.827 5.735 109 HA GLU 15 HA GLU 15 5.330 14.167 4.108 110 HB2 GLU 15 HB2 GLU 15 8.043 13.475 5.235 111 HB3 GLU 15 HB1 GLU 15 7.488 15.037 4.644 112 HG2 GLU 15 HG2 GLU 15 6.569 13.627 7.140 113 HG3 GLU 15 HG1 GLU 15 7.604 15.049 7.050 114 H ARG 16 HN ARG 16 7.212 11.222 4.158 115 HA ARG 16 HA ARG 16 7.380 11.324 1.228 116 HB2 ARG 16 HB2 ARG 16 9.699 10.129 1.609 117 HB3 ARG 16 HB1 ARG 16 9.577 11.875 1.570 118 HG2 ARG 16 HG2 ARG 16 10.972 11.370 3.391 119 HG3 ARG 16 HG1 ARG 16 9.411 11.791 4.096 120 HD2 ARG 16 HD2 ARG 16 10.198 9.872 5.254 121 HD3 ARG 16 HD1 ARG 16 8.909 9.325 4.184 122 HE ARG 16 HE ARG 16 11.391 9.072 2.872 123 HH11 ARG 16 HH11 ARG 16 9.541 7.607 5.474 124 HH12 ARG 16 HH12 ARG 16 10.313 6.055 5.321 125 HH21 ARG 16 HH21 ARG 16 12.413 7.046 2.687 126 HH22 ARG 16 HH22 ARG 16 11.976 5.748 3.759 127 H SER 17 HN SER 17 6.213 9.815 3.781 128 HA SER 17 HA SER 17 5.842 7.347 2.345 129 HB2 SER 17 HB2 SER 17 6.512 6.030 4.442 130 HB3 SER 17 HB1 SER 17 7.813 6.673 3.449 131 HG SER 17 HG SER 17 7.115 7.263 6.033 132 H LEU 18 HN LEU 18 4.035 6.213 3.079 133 HA LEU 18 HA LEU 18 2.494 7.590 5.190 134 HB2 LEU 18 HB2 LEU 18 0.919 6.201 3.129 135 HB3 LEU 18 HB1 LEU 18 0.596 7.696 3.966 136 HG LEU 18 HG LEU 18 2.559 7.459 1.683 137 HD11 LEU 18 HD11 LEU 18 0.316 6.906 0.907 138 HD12 LEU 18 HD12 LEU 18 0.818 8.486 0.305 139 HD13 LEU 18 HD13 LEU 18 -0.315 8.376 1.652 140 HD21 LEU 18 HD21 LEU 18 1.262 9.851 2.987 141 HD22 LEU 18 HD22 LEU 18 2.359 9.888 1.605 142 HD23 LEU 18 HD23 LEU 18 2.944 9.353 3.181 143 H ILE 19 HN ILE 19 1.258 6.271 6.526 144 HA ILE 19 HA ILE 19 2.134 3.485 6.553 145 HB ILE 19 HB ILE 19 0.437 4.843 8.649 146 HG12 ILE 19 HG12 ILE 19 3.460 4.631 8.604 147 HG13 ILE 19 HG11 ILE 19 2.561 6.105 8.252 148 HG21 ILE 19 HG21 ILE 19 1.465 3.096 10.095 149 HG22 ILE 19 HG22 ILE 19 2.222 2.405 8.656 150 HG23 ILE 19 HG23 ILE 19 0.463 2.446 8.798 151 HD11 ILE 19 HD11 ILE 19 2.552 4.607 10.862 152 HD12 ILE 19 HD12 ILE 19 1.635 6.073 10.512 153 HD13 ILE 19 HD13 ILE 19 3.397 6.117 10.522 154 H ILE 20 HN ILE 20 0.833 1.840 6.043 155 HA ILE 20 HA ILE 20 -2.026 2.400 5.603 156 HB ILE 20 HB ILE 20 -0.290 0.716 3.789 157 HG12 ILE 20 HG12 ILE 20 -1.464 3.460 3.267 158 HG13 ILE 20 HG11 ILE 20 0.231 3.151 3.631 159 HG21 ILE 20 HG21 ILE 20 -2.250 0.657 2.343 160 HG22 ILE 20 HG22 ILE 20 -3.145 1.644 3.500 161 HG23 ILE 20 HG23 ILE 20 -2.636 0.013 3.943 162 HD11 ILE 20 HD11 ILE 20 -1.272 2.112 1.239 163 HD12 ILE 20 HD12 ILE 20 0.433 1.834 1.594 164 HD13 ILE 20 HD13 ILE 20 -0.141 3.465 1.247 165 H ALA 21 HN ALA 21 -3.310 1.003 6.629 166 HA ALA 21 HA ALA 21 -2.319 -1.468 7.729 167 HB1 ALA 21 HB1 ALA 21 -4.083 -0.201 8.876 168 HB2 ALA 21 HB2 ALA 21 -4.619 -1.830 8.460 169 HB3 ALA 21 HB3 ALA 21 -5.154 -0.454 7.497 170 H HIS 22 HN HIS 22 -1.660 -2.792 6.085 171 HA HIS 22 HA HIS 22 -3.486 -3.218 3.844 172 HB2 HIS 22 HB2 HIS 22 -1.599 -4.394 2.767 173 HB3 HIS 22 HB1 HIS 22 -1.199 -2.740 3.204 174 HD1 HIS 22 HD1 HIS 22 -0.683 -6.265 4.566 175 HD2 HIS 22 HD2 HIS 22 1.110 -2.506 4.621 176 HE1 HIS 22 HE1 HIS 22 1.527 -6.579 5.735 177 HE2 HIS 22 HE2 HIS 22 2.654 -4.330 5.623 178 H GLU 23 HN GLU 23 -4.087 -5.263 3.151 179 HA GLU 23 HA GLU 23 -4.762 -7.169 5.100 180 HB2 GLU 23 HB2 GLU 23 -4.611 -7.336 2.092 181 HB3 GLU 23 HB1 GLU 23 -5.251 -8.628 3.098 182 HG2 GLU 23 HG2 GLU 23 -6.325 -5.822 3.009 183 HG3 GLU 23 HG1 GLU 23 -6.992 -7.192 2.126 184 H ALA 24 HN ALA 24 -4.163 -9.637 4.093 185 HA ALA 24 HA ALA 24 -1.671 -10.116 5.302 186 HB1 ALA 24 HB1 ALA 24 -3.486 -11.758 5.280 187 HB2 ALA 24 HB2 ALA 24 -1.981 -12.433 4.650 188 HB3 ALA 24 HB3 ALA 24 -3.269 -11.960 3.540 189 H ILE 25 HN ILE 25 -2.609 -9.659 1.985 190 HA ILE 25 HA ILE 25 -1.380 -9.353 0.086 191 HB ILE 25 HB ILE 25 1.037 -9.349 1.921 192 HG12 ILE 25 HG12 ILE 25 -0.610 -7.049 0.834 193 HG13 ILE 25 HG11 ILE 25 -0.553 -7.583 2.511 194 HG21 ILE 25 HG21 ILE 25 2.150 -8.155 0.075 195 HG22 ILE 25 HG22 ILE 25 0.709 -8.363 -0.921 196 HG23 ILE 25 HG23 ILE 25 1.635 -9.773 -0.405 197 HD11 ILE 25 HD11 ILE 25 0.800 -5.603 2.190 198 HD12 ILE 25 HD12 ILE 25 1.738 -6.421 0.940 199 HD13 ILE 25 HD13 ILE 25 1.818 -6.982 2.611 200 HA PRO 26 HA PRO 26 -0.613 -13.882 0.071 201 HB2 PRO 26 HB2 PRO 26 -2.038 -13.821 -2.479 202 HB3 PRO 26 HB1 PRO 26 -2.453 -14.681 -0.995 203 HG2 PRO 26 HG2 PRO 26 -3.881 -12.576 -1.909 204 HG3 PRO 26 HG1 PRO 26 -3.711 -12.942 -0.183 205 HD2 PRO 26 HD2 PRO 26 -2.269 -10.900 -1.839 206 HD3 PRO 26 HD1 PRO 26 -2.929 -10.755 -0.195 207 H SER 27 HN SER 27 0.380 -11.310 -1.821 208 HA SER 27 HA SER 27 1.832 -12.920 -3.749 209 HB2 SER 27 HB2 SER 27 2.626 -10.571 -4.470 210 HB3 SER 27 HB1 SER 27 0.923 -10.970 -4.707 211 HG SER 27 HG SER 27 0.663 -9.156 -3.634 212 H ALA 28 HN ALA 28 2.319 -11.424 -0.691 213 HA ALA 28 HA ALA 28 5.225 -11.862 -0.935 214 HB1 ALA 28 HB1 ALA 28 3.785 -9.902 0.846 215 HB2 ALA 28 HB2 ALA 28 4.674 -9.510 -0.627 216 HB3 ALA 28 HB3 ALA 28 5.531 -10.146 0.778 217 H GLN 29 HN GLN 29 2.432 -13.006 0.448 218 HA GLN 29 HA GLN 29 1.946 -14.533 2.040 219 HB2 GLN 29 HB2 GLN 29 4.847 -15.025 1.601 220 HB3 GLN 29 HB1 GLN 29 4.077 -15.789 2.983 221 HG2 GLN 29 HG2 GLN 29 4.004 -17.354 1.236 222 HG3 GLN 29 HG1 GLN 29 2.373 -16.713 1.386 223 HE21 GLN 29 HE21 GLN 29 5.050 -15.052 -0.158 224 HE22 GLN 29 HE22 GLN 29 4.411 -15.120 -1.762 225 H TRP 30 HN TRP 30 2.154 -11.898 2.884 226 HA TRP 30 HA TRP 30 3.381 -12.030 5.528 227 HB2 TRP 30 HB2 TRP 30 2.008 -9.785 4.039 228 HB3 TRP 30 HB1 TRP 30 2.534 -9.649 5.714 229 HD1 TRP 30 HD1 TRP 30 5.170 -11.619 4.333 230 HE1 TRP 30 HE1 TRP 30 7.155 -10.191 3.531 231 HE3 TRP 30 HE3 TRP 30 2.878 -7.049 4.177 232 HZ2 TRP 30 HZ2 TRP 30 7.680 -7.498 2.905 233 HZ3 TRP 30 HZ3 TRP 30 4.198 -5.096 3.460 234 HH2 TRP 30 HH2 TRP 30 6.547 -5.319 2.840 235 H GLY 31 HN GLY 31 1.850 -10.947 7.290 236 HA2 GLY 31 HA2 GLY 31 -0.625 -12.564 7.159 237 HA3 GLY 31 HA1 GLY 31 0.330 -12.370 8.617 238 H ALA 32 HN ALA 32 -0.315 -9.704 6.467 239 HA ALA 32 HA ALA 32 -1.573 -7.818 6.611 240 HB1 ALA 32 HB1 ALA 32 -3.709 -7.842 7.771 241 HB2 ALA 32 HB2 ALA 32 -3.274 -9.353 8.572 242 HB3 ALA 32 HB3 ALA 32 -3.495 -9.313 6.823 243 H MET 33 HN MET 33 -0.987 -5.998 7.528 244 HA MET 33 HA MET 33 -0.954 -5.478 10.287 245 HB2 MET 33 HB2 MET 33 1.531 -5.205 10.567 246 HB3 MET 33 HB1 MET 33 0.970 -6.868 10.484 247 HG2 MET 33 HG2 MET 33 1.624 -6.887 8.076 248 HG3 MET 33 HG1 MET 33 2.331 -5.290 8.312 249 HE1 MET 33 HE1 MET 33 4.564 -6.518 7.245 250 HE2 MET 33 HE2 MET 33 3.774 -8.095 7.271 251 HE3 MET 33 HE3 MET 33 5.356 -7.887 8.023 252 H THR 34 HN THR 34 -0.352 -3.336 10.792 253 HA THR 34 HA THR 34 -0.695 -1.549 8.552 254 HB THR 34 HB THR 34 -0.319 -0.914 11.490 255 HG1 THR 34 HG1 THR 34 -2.324 -2.151 10.359 256 HG21 THR 34 HG21 THR 34 -1.411 1.217 10.901 257 HG22 THR 34 HG22 THR 34 -1.391 0.743 9.202 258 HG23 THR 34 HG23 THR 34 0.126 1.004 10.063 259 H MET 35 HN MET 35 1.057 -1.179 7.342 260 HA MET 35 HA MET 35 3.627 -0.647 8.699 261 HB2 MET 35 HB2 MET 35 3.038 -2.090 6.139 262 HB3 MET 35 HB1 MET 35 4.619 -1.390 6.451 263 HG2 MET 35 HG2 MET 35 4.869 -2.776 8.414 264 HG3 MET 35 HG1 MET 35 3.257 -3.437 8.161 265 HE1 MET 35 HE1 MET 35 5.815 -2.494 5.387 266 HE2 MET 35 HE2 MET 35 6.729 -3.992 5.197 267 HE3 MET 35 HE3 MET 35 6.850 -3.067 6.695 268 H GLU 36 HN GLU 36 5.125 0.661 7.434 269 HA GLU 36 HA GLU 36 3.695 2.880 6.136 270 HB2 GLU 36 HB2 GLU 36 5.023 3.494 8.085 271 HB3 GLU 36 HB1 GLU 36 6.445 2.738 7.383 272 HG2 GLU 36 HG2 GLU 36 6.350 4.385 5.538 273 HG3 GLU 36 HG1 GLU 36 5.017 5.179 6.371 274 H PHE 37 HN PHE 37 3.988 3.337 4.037 275 HA PHE 37 HA PHE 37 6.133 1.904 2.596 276 HB2 PHE 37 HB2 PHE 37 3.398 2.752 1.621 277 HB3 PHE 37 HB1 PHE 37 4.660 2.098 0.581 278 HD1 PHE 37 HD2 PHE 37 5.375 -0.250 0.835 279 HD2 PHE 37 HD1 PHE 37 2.091 1.347 3.022 280 HE1 PHE 37 HE2 PHE 37 4.608 -2.532 1.342 281 HE2 PHE 37 HE1 PHE 37 1.320 -0.933 3.536 282 HZ PHE 37 HZ PHE 37 2.579 -2.875 2.692 283 H ALA 38 HN ALA 38 7.390 3.037 1.167 284 HA ALA 38 HA ALA 38 7.526 5.886 1.659 285 HB1 ALA 38 HB1 ALA 38 9.630 5.791 0.429 286 HB2 ALA 38 HB2 ALA 38 9.303 4.121 -0.027 287 HB3 ALA 38 HB3 ALA 38 9.569 4.537 1.666 288 H ALA 39 HN ALA 39 7.468 7.510 0.072 289 HA ALA 39 HA ALA 39 5.467 7.181 -1.897 290 HB1 ALA 39 HB1 ALA 39 5.899 9.316 -0.796 291 HB2 ALA 39 HB2 ALA 39 6.003 9.473 -2.551 292 HB3 ALA 39 HB3 ALA 39 7.475 9.407 -1.581 293 HA PRO 40 HA PRO 40 7.764 5.568 -5.359 294 HB2 PRO 40 HB2 PRO 40 6.015 6.498 -7.282 295 HB3 PRO 40 HB1 PRO 40 5.796 4.998 -6.374 296 HG2 PRO 40 HG2 PRO 40 4.578 7.689 -5.910 297 HG3 PRO 40 HG1 PRO 40 3.832 6.084 -5.792 298 HD2 PRO 40 HD2 PRO 40 4.587 7.435 -3.607 299 HD3 PRO 40 HD1 PRO 40 4.755 5.669 -3.709 300 HA PRO 41 HA PRO 41 10.173 8.932 -6.864 301 HB2 PRO 41 HB2 PRO 41 10.711 8.111 -9.422 302 HB3 PRO 41 HB1 PRO 41 11.522 7.477 -7.988 303 HG2 PRO 41 HG2 PRO 41 9.250 6.314 -9.547 304 HG3 PRO 41 HG1 PRO 41 10.668 5.504 -8.854 305 HD2 PRO 41 HD2 PRO 41 8.257 5.410 -7.664 306 HD3 PRO 41 HD1 PRO 41 9.763 5.466 -6.727 307 H ALA 42 HN ALA 42 7.155 8.201 -8.230 308 HA ALA 42 HA ALA 42 7.204 10.426 -10.109 309 HB1 ALA 42 HB1 ALA 42 4.985 8.481 -9.493 310 HB2 ALA 42 HB2 ALA 42 6.167 8.307 -10.790 311 HB3 ALA 42 HB3 ALA 42 5.019 9.646 -10.817 312 H GLY 43 HN GLY 43 6.364 9.834 -6.870 313 HA2 GLY 43 HA2 GLY 43 5.760 11.638 -5.422 314 HA3 GLY 43 HA1 GLY 43 4.906 12.379 -6.769 315 H LEU 44 HN LEU 44 3.496 12.279 -4.572 316 HA LEU 44 HA LEU 44 1.849 9.849 -4.689 317 HB2 LEU 44 HB2 LEU 44 1.949 11.992 -2.581 318 HB3 LEU 44 HB1 LEU 44 0.931 10.574 -2.529 319 HG LEU 44 HG LEU 44 3.942 10.442 -2.588 320 HD11 LEU 44 HD11 LEU 44 2.058 10.339 -0.238 321 HD12 LEU 44 HD12 LEU 44 3.255 11.589 -0.570 322 HD13 LEU 44 HD13 LEU 44 3.777 9.950 -0.184 323 HD21 LEU 44 HD21 LEU 44 3.583 8.154 -1.840 324 HD22 LEU 44 HD22 LEU 44 2.763 8.441 -3.375 325 HD23 LEU 44 HD23 LEU 44 1.838 8.402 -1.872 326 HA PRO 45 HA PRO 45 -1.428 12.314 -6.471 327 HB2 PRO 45 HB2 PRO 45 -3.207 10.322 -6.703 328 HB3 PRO 45 HB1 PRO 45 -1.786 10.415 -7.753 329 HG2 PRO 45 HG2 PRO 45 -2.283 8.687 -5.376 330 HG3 PRO 45 HG1 PRO 45 -1.440 8.301 -6.884 331 HD2 PRO 45 HD2 PRO 45 -0.203 8.983 -4.487 332 HD3 PRO 45 HD1 PRO 45 0.550 9.076 -6.088 333 H GLN 46 HN GLN 46 -3.952 12.267 -6.003 334 HA GLN 46 HA GLN 46 -4.309 12.344 -3.115 335 HB2 GLN 46 HB2 GLN 46 -6.547 13.438 -3.786 336 HB3 GLN 46 HB1 GLN 46 -5.063 14.354 -3.963 337 HG2 GLN 46 HG2 GLN 46 -6.504 14.730 -5.850 338 HG3 GLN 46 HG1 GLN 46 -5.047 13.885 -6.355 339 HE21 GLN 46 HE21 GLN 46 -5.215 11.945 -7.332 340 HE22 GLN 46 HE22 GLN 46 -6.712 11.141 -7.653 341 H GLY 47 HN GLY 47 -6.226 11.432 -2.154 342 HA2 GLY 47 HA2 GLY 47 -8.143 9.983 -2.265 343 HA3 GLY 47 HA1 GLY 47 -7.466 9.270 -3.724 344 H LEU 48 HN LEU 48 -5.179 9.835 -1.317 345 HA LEU 48 HA LEU 48 -5.371 7.083 -0.322 346 HB2 LEU 48 HB2 LEU 48 -2.783 7.315 -0.230 347 HB3 LEU 48 HB1 LEU 48 -3.572 6.881 -1.727 348 HG LEU 48 HG LEU 48 -3.333 9.180 -2.542 349 HD11 LEU 48 HD11 LEU 48 -2.004 10.820 -1.360 350 HD12 LEU 48 HD12 LEU 48 -1.802 9.715 -0.001 351 HD13 LEU 48 HD13 LEU 48 -3.399 10.360 -0.385 352 HD21 LEU 48 HD21 LEU 48 -1.598 7.593 -3.049 353 HD22 LEU 48 HD22 LEU 48 -0.793 7.941 -1.520 354 HD23 LEU 48 HD23 LEU 48 -0.887 9.184 -2.767 355 H LYS 49 HN LYS 49 -6.560 9.014 1.161 356 HA LYS 49 HA LYS 49 -4.550 10.111 3.001 357 HB2 LYS 49 HB2 LYS 49 -6.098 11.705 3.638 358 HB3 LYS 49 HB1 LYS 49 -6.572 11.430 1.970 359 HG2 LYS 49 HG2 LYS 49 -8.312 9.864 2.755 360 HG3 LYS 49 HG1 LYS 49 -7.864 10.248 4.417 361 HD2 LYS 49 HD2 LYS 49 -9.761 11.562 3.886 362 HD3 LYS 49 HD1 LYS 49 -8.368 12.645 3.886 363 HE2 LYS 49 HE2 LYS 49 -9.803 13.109 1.976 364 HE3 LYS 49 HE1 LYS 49 -8.250 12.473 1.439 365 HZ1 LYS 49 HZ1 LYS 49 -10.765 10.907 1.680 366 HZ2 LYS 49 HZ2 LYS 49 -9.272 10.294 1.151 367 HZ3 LYS 49 HZ3 LYS 49 -10.085 11.470 0.238 368 H ALA 50 HN ALA 50 -5.046 10.061 5.319 369 HA ALA 50 HA ALA 50 -5.344 7.509 6.370 370 HB1 ALA 50 HB1 ALA 50 -5.647 8.643 8.531 371 HB2 ALA 50 HB2 ALA 50 -5.909 10.169 7.680 372 HB3 ALA 50 HB3 ALA 50 -4.341 9.365 7.590 373 H GLY 51 HN GLY 51 -7.080 6.299 5.919 374 HA2 GLY 51 HA2 GLY 51 -9.328 5.885 6.931 375 HA3 GLY 51 HA1 GLY 51 -9.743 7.495 6.361 376 H ASP 52 HN ASP 52 -8.026 6.828 3.872 377 HA ASP 52 HA ASP 52 -10.267 5.837 2.341 378 HB2 ASP 52 HB2 ASP 52 -7.489 6.705 1.546 379 HB3 ASP 52 HB1 ASP 52 -8.640 6.022 0.407 380 H ARG 53 HN ARG 53 -10.389 3.920 1.240 381 HA ARG 53 HA ARG 53 -8.341 1.931 1.873 382 HB2 ARG 53 HB2 ARG 53 -10.796 1.535 2.319 383 HB3 ARG 53 HB1 ARG 53 -11.000 1.444 0.577 384 HG2 ARG 53 HG2 ARG 53 -9.599 -0.458 0.415 385 HG3 ARG 53 HG1 ARG 53 -9.075 -0.286 2.092 386 HD2 ARG 53 HD2 ARG 53 -11.946 -0.706 1.361 387 HD3 ARG 53 HD1 ARG 53 -10.834 -2.060 1.560 388 HE ARG 53 HE ARG 53 -10.568 -1.435 3.870 389 HH11 ARG 53 HH11 ARG 53 -13.131 0.243 2.153 390 HH12 ARG 53 HH12 ARG 53 -14.035 0.599 3.596 391 HH21 ARG 53 HH21 ARG 53 -11.741 -0.967 5.757 392 HH22 ARG 53 HH22 ARG 53 -13.235 -0.075 5.659 393 H VAL 54 HN VAL 54 -6.919 1.355 0.367 394 HA VAL 54 HA VAL 54 -7.467 2.174 -2.400 395 HB VAL 54 HB VAL 54 -5.044 2.831 -2.560 396 HG11 VAL 54 HG11 VAL 54 -5.353 4.999 -1.451 397 HG12 VAL 54 HG12 VAL 54 -6.755 4.353 -0.596 398 HG13 VAL 54 HG13 VAL 54 -6.790 4.510 -2.352 399 HG21 VAL 54 HG21 VAL 54 -4.264 1.579 -0.595 400 HG22 VAL 54 HG22 VAL 54 -5.188 2.661 0.452 401 HG23 VAL 54 HG23 VAL 54 -3.838 3.288 -0.497 402 H ALA 55 HN ALA 55 -6.418 1.032 -4.017 403 HA ALA 55 HA ALA 55 -5.258 -1.561 -3.235 404 HB1 ALA 55 HB1 ALA 55 -6.520 -0.746 -5.858 405 HB2 ALA 55 HB2 ALA 55 -7.294 -1.718 -4.608 406 HB3 ALA 55 HB3 ALA 55 -5.885 -2.343 -5.463 407 H PHE 56 HN PHE 56 -3.113 -1.724 -3.508 408 HA PHE 56 HA PHE 56 -1.812 0.043 -5.450 409 HB2 PHE 56 HB2 PHE 56 -0.150 0.708 -3.733 410 HB3 PHE 56 HB1 PHE 56 -1.773 1.264 -3.359 411 HD1 PHE 56 HD1 PHE 56 -3.012 0.337 -1.477 412 HD2 PHE 56 HD2 PHE 56 0.946 -0.956 -2.365 413 HE1 PHE 56 HE1 PHE 56 -2.855 -0.704 0.745 414 HE2 PHE 56 HE2 PHE 56 1.104 -1.999 -0.141 415 HZ PHE 56 HZ PHE 56 -0.785 -1.830 1.432 416 H SER 57 HN SER 57 0.686 -0.463 -5.408 417 HA SER 57 HA SER 57 1.175 -3.220 -4.545 418 HB2 SER 57 HB2 SER 57 0.852 -3.198 -7.020 419 HB3 SER 57 HB1 SER 57 2.151 -2.018 -7.158 420 HG SER 57 HG SER 57 2.523 -4.488 -7.367 421 H PHE 58 HN PHE 58 3.794 -3.418 -4.853 422 HA PHE 58 HA PHE 58 5.302 -1.101 -4.319 423 HB2 PHE 58 HB2 PHE 58 5.775 -1.334 -1.977 424 HB3 PHE 58 HB1 PHE 58 4.028 -1.225 -2.163 425 HD1 PHE 58 HD1 PHE 58 2.664 -3.336 -2.043 426 HD2 PHE 58 HD2 PHE 58 6.768 -3.185 -0.932 427 HE1 PHE 58 HE1 PHE 58 2.390 -5.421 -0.766 428 HE2 PHE 58 HE2 PHE 58 6.504 -5.266 0.350 429 HZ PHE 58 HZ PHE 58 4.321 -6.418 0.388 430 H ARG 59 HN ARG 59 7.542 -1.605 -3.935 431 HA ARG 59 HA ARG 59 8.166 -4.392 -4.666 432 HB2 ARG 59 HB2 ARG 59 10.089 -2.091 -4.868 433 HB3 ARG 59 HB1 ARG 59 10.159 -3.648 -5.673 434 HG2 ARG 59 HG2 ARG 59 8.377 -3.038 -7.145 435 HG3 ARG 59 HG1 ARG 59 8.101 -1.536 -6.258 436 HD2 ARG 59 HD2 ARG 59 10.412 -2.297 -8.007 437 HD3 ARG 59 HD1 ARG 59 9.379 -0.869 -8.097 438 HE ARG 59 HE ARG 59 11.321 -1.315 -5.909 439 HH11 ARG 59 HH11 ARG 59 9.820 0.780 -8.275 440 HH12 ARG 59 HH12 ARG 59 10.652 2.197 -7.731 441 HH21 ARG 59 HH21 ARG 59 12.414 0.535 -5.175 442 HH22 ARG 59 HH22 ARG 59 12.143 2.066 -5.979 443 H LEU 60 HN LEU 60 9.679 -5.528 -3.473 444 HA LEU 60 HA LEU 60 10.674 -4.236 -1.052 445 HB2 LEU 60 HB2 LEU 60 10.438 -7.046 -1.957 446 HB3 LEU 60 HB1 LEU 60 11.785 -6.663 -0.908 447 HG LEU 60 HG LEU 60 8.862 -6.277 -0.270 448 HD11 LEU 60 HD11 LEU 60 9.299 -7.964 1.450 449 HD12 LEU 60 HD12 LEU 60 10.953 -8.130 0.859 450 HD13 LEU 60 HD13 LEU 60 9.597 -8.596 -0.169 451 HD21 LEU 60 HD21 LEU 60 10.189 -4.479 0.689 452 HD22 LEU 60 HD22 LEU 60 11.321 -5.649 1.364 453 HD23 LEU 60 HD23 LEU 60 9.657 -5.590 1.950 454 H ASP 61 HN ASP 61 12.327 -3.001 -1.420 455 HA ASP 61 HA ASP 61 14.184 -3.508 -3.557 456 HB2 ASP 61 HB2 ASP 61 14.368 -1.433 -1.362 457 HB3 ASP 61 HB1 ASP 61 15.287 -1.454 -2.858 458 HA PRO 62 HA PRO 62 17.045 -6.011 -1.650 459 HB2 PRO 62 HB2 PRO 62 19.358 -4.332 -2.351 460 HB3 PRO 62 HB1 PRO 62 18.903 -5.930 -2.951 461 HG2 PRO 62 HG2 PRO 62 18.688 -3.746 -4.492 462 HG3 PRO 62 HG1 PRO 62 17.509 -5.069 -4.583 463 HD2 PRO 62 HD2 PRO 62 17.289 -2.433 -3.166 464 HD3 PRO 62 HD1 PRO 62 16.084 -3.271 -4.166 465 H HIS 63 HN HIS 63 16.699 -3.013 -0.295 466 HA HIS 63 HA HIS 63 18.658 -3.531 1.830 467 HB2 HIS 63 HB2 HIS 63 17.332 -1.125 0.751 468 HB3 HIS 63 HB1 HIS 63 17.528 -1.170 2.494 469 HD1 HIS 63 HD1 HIS 63 19.747 -0.443 3.367 470 HD2 HIS 63 HD2 HIS 63 19.877 -1.436 -0.672 471 HE1 HIS 63 HE1 HIS 63 22.055 0.181 2.583 472 HE2 HIS 63 HE2 HIS 63 22.063 -0.300 0.111 473 H GLY 64 HN GLY 64 15.664 -4.441 1.130 474 HA2 GLY 64 HA2 GLY 64 13.983 -5.312 2.481 475 HA3 GLY 64 HA1 GLY 64 14.844 -4.702 3.893 476 H MET 65 HN MET 65 13.979 -2.852 1.069 477 HA MET 65 HA MET 65 12.522 -0.980 2.777 478 HB2 MET 65 HB2 MET 65 13.636 -0.711 -0.021 479 HB3 MET 65 HB1 MET 65 12.710 0.543 0.792 480 HG2 MET 65 HG2 MET 65 15.276 -0.604 1.843 481 HG3 MET 65 HG1 MET 65 15.170 0.860 0.867 482 HE1 MET 65 HE1 MET 65 12.478 2.175 1.939 483 HE2 MET 65 HE2 MET 65 13.970 3.066 1.638 484 HE3 MET 65 HE3 MET 65 13.127 3.249 3.177 485 H ALA 66 HN ALA 66 10.474 -0.234 2.239 486 HA ALA 66 HA ALA 66 9.008 -1.935 0.330 487 HB1 ALA 66 HB1 ALA 66 7.989 -0.798 2.940 488 HB2 ALA 66 HB2 ALA 66 8.374 -2.491 2.627 489 HB3 ALA 66 HB3 ALA 66 7.037 -1.720 1.775 490 H THR 67 HN THR 67 8.944 -0.613 -1.375 491 HA THR 67 HA THR 67 8.255 2.198 -0.883 492 HB THR 67 HB THR 67 9.627 1.138 -3.352 493 HG1 THR 67 HG1 THR 67 11.282 0.812 -2.036 494 HG21 THR 67 HG21 THR 67 10.354 3.470 -3.563 495 HG22 THR 67 HG22 THR 67 9.497 3.875 -2.077 496 HG23 THR 67 HG23 THR 67 8.594 3.366 -3.504 497 H LEU 68 HN LEU 68 6.398 2.912 -1.566 498 HA LEU 68 HA LEU 68 4.474 1.269 -2.828 499 HB2 LEU 68 HB2 LEU 68 3.938 3.094 -1.264 500 HB3 LEU 68 HB1 LEU 68 4.551 4.259 -2.415 501 HG LEU 68 HG LEU 68 2.738 3.606 -3.983 502 HD11 LEU 68 HD11 LEU 68 2.334 1.352 -3.138 503 HD12 LEU 68 HD12 LEU 68 0.856 2.317 -3.119 504 HD13 LEU 68 HD13 LEU 68 1.739 2.022 -1.620 505 HD21 LEU 68 HD21 LEU 68 1.859 4.532 -1.248 506 HD22 LEU 68 HD22 LEU 68 0.982 4.782 -2.760 507 HD23 LEU 68 HD23 LEU 68 2.550 5.550 -2.511 508 H VAL 69 HN VAL 69 3.856 1.130 -4.941 509 HA VAL 69 HA VAL 69 5.555 2.544 -6.857 510 HB VAL 69 HB VAL 69 4.733 0.775 -8.444 511 HG11 VAL 69 HG11 VAL 69 6.215 -0.185 -6.003 512 HG12 VAL 69 HG12 VAL 69 6.943 0.688 -7.356 513 HG13 VAL 69 HG13 VAL 69 6.270 -0.924 -7.607 514 HG21 VAL 69 HG21 VAL 69 2.754 0.097 -7.274 515 HG22 VAL 69 HG22 VAL 69 3.748 -0.520 -5.954 516 HG23 VAL 69 HG23 VAL 69 3.841 -1.264 -7.550 517 H THR 70 HN THR 70 2.220 1.408 -6.582 518 HA THR 70 HA THR 70 1.226 3.866 -7.790 519 HB THR 70 HB THR 70 -0.332 2.428 -9.233 520 HG1 THR 70 HG1 THR 70 1.555 0.451 -9.480 521 HG21 THR 70 HG21 THR 70 2.604 2.443 -9.940 522 HG22 THR 70 HG22 THR 70 1.474 3.772 -10.200 523 HG23 THR 70 HG23 THR 70 1.266 2.253 -11.074 524 H VAL 71 HN VAL 71 -0.916 4.317 -7.133 525 HA VAL 71 HA VAL 71 -2.232 2.339 -5.440 526 HB VAL 71 HB VAL 71 -0.795 3.801 -3.977 527 HG11 VAL 71 HG11 VAL 71 -1.046 5.894 -5.197 528 HG12 VAL 71 HG12 VAL 71 -1.540 6.071 -3.511 529 HG13 VAL 71 HG13 VAL 71 -2.762 5.934 -4.775 530 HG21 VAL 71 HG21 VAL 71 -3.777 3.868 -3.565 531 HG22 VAL 71 HG22 VAL 71 -2.587 4.257 -2.322 532 HG23 VAL 71 HG23 VAL 71 -2.649 2.631 -3.009 533 H ALA 72 HN ALA 72 -4.415 2.404 -5.566 534 HA ALA 72 HA ALA 72 -5.681 4.750 -6.792 535 HB1 ALA 72 HB1 ALA 72 -7.030 3.331 -8.248 536 HB2 ALA 72 HB2 ALA 72 -6.199 1.897 -7.641 537 HB3 ALA 72 HB3 ALA 72 -5.311 3.103 -8.575 538 HA PRO 73 HA PRO 73 -8.521 4.259 -3.408 539 HB2 PRO 73 HB2 PRO 73 -10.664 5.544 -4.561 540 HB3 PRO 73 HB1 PRO 73 -9.309 6.369 -3.781 541 HG2 PRO 73 HG2 PRO 73 -9.791 5.857 -6.690 542 HG3 PRO 73 HG1 PRO 73 -9.174 7.317 -5.895 543 HD2 PRO 73 HD2 PRO 73 -7.534 5.601 -7.141 544 HD3 PRO 73 HD1 PRO 73 -7.045 6.440 -5.654 545 H GLN 74 HN GLN 74 -9.678 2.521 -2.901 546 HA GLN 74 HA GLN 74 -11.270 1.215 -5.001 547 HB2 GLN 74 HB2 GLN 74 -10.564 -0.956 -4.185 548 HB3 GLN 74 HB1 GLN 74 -9.165 0.001 -4.657 549 HG2 GLN 74 HG2 GLN 74 -8.297 -0.108 -2.627 550 HG3 GLN 74 HG1 GLN 74 -9.810 0.396 -1.881 551 HE21 GLN 74 HE21 GLN 74 -7.861 -1.559 -1.040 552 HE22 GLN 74 HE22 GLN 74 -8.725 -3.051 -0.845 553 H VAL 75 HN VAL 75 -12.602 -0.621 -3.862 554 HA VAL 75 HA VAL 75 -13.821 0.524 -1.461 555 HB VAL 75 HB VAL 75 -16.076 -0.156 -2.416 556 HG11 VAL 75 HG11 VAL 75 -16.291 1.924 -3.714 557 HG12 VAL 75 HG12 VAL 75 -14.533 2.058 -3.766 558 HG13 VAL 75 HG13 VAL 75 -15.381 2.168 -2.224 559 HG21 VAL 75 HG21 VAL 75 -15.239 -1.569 -4.249 560 HG22 VAL 75 HG22 VAL 75 -14.524 -0.146 -5.011 561 HG23 VAL 75 HG23 VAL 75 -16.276 -0.272 -4.846 562 H GLN 76 HN GLN 76 -12.406 -1.145 -0.597 563 HA GLN 76 HA GLN 76 -12.059 -3.043 0.508 564 HB2 GLN 76 HB2 GLN 76 -13.894 -4.178 1.551 565 HB3 GLN 76 HB1 GLN 76 -14.173 -2.446 1.556 566 HG2 GLN 76 HG2 GLN 76 -15.644 -2.799 -0.457 567 HG3 GLN 76 HG1 GLN 76 -15.502 -4.530 -0.147 568 HE21 GLN 76 HE21 GLN 76 -16.475 -5.404 1.690 569 HE22 GLN 76 HE22 GLN 76 -17.692 -4.540 2.566 570 H THR 77 HN THR 77 -14.412 -3.989 -1.906 571 HA THR 77 HA THR 77 -13.264 -6.649 -2.019 572 HB THR 77 HB THR 77 -15.148 -6.983 -3.727 573 HG1 THR 77 HG1 THR 77 -15.803 -4.984 -4.278 574 HG21 THR 77 HG21 THR 77 -16.847 -7.138 -1.935 575 HG22 THR 77 HG22 THR 77 -15.780 -6.220 -0.871 576 HG23 THR 77 HG23 THR 77 -15.293 -7.814 -1.448 577 H ALA 78 HN ALA 78 -11.835 -4.235 -3.200 578 HA ALA 78 HA ALA 78 -11.796 -4.882 -6.035 579 HB1 ALA 78 HB1 ALA 78 -11.636 -2.541 -5.336 580 HB2 ALA 78 HB2 ALA 78 -10.223 -3.047 -6.262 581 HB3 ALA 78 HB3 ALA 78 -10.121 -2.897 -4.508 582 H GLY 79 HN GLY 79 -10.890 -6.781 -3.913 583 HA2 GLY 79 HA2 GLY 79 -8.462 -7.597 -5.295 584 HA3 GLY 79 HA1 GLY 79 -8.308 -7.308 -3.568 585 H ALA 80 HN ALA 80 -9.901 -8.472 -2.186 586 HA ALA 80 HA ALA 80 -10.942 -10.952 -3.282 587 HB1 ALA 80 HB1 ALA 80 -8.631 -11.533 -2.701 588 HB2 ALA 80 HB2 ALA 80 -9.785 -12.359 -1.656 589 HB3 ALA 80 HB3 ALA 80 -8.901 -10.956 -1.053 590 H LYS 81 HN LYS 81 -11.826 -12.253 -1.175 591 HA LYS 81 HA LYS 81 -13.423 -10.267 0.279 592 HB2 LYS 81 HB2 LYS 81 -14.747 -11.966 -0.846 593 HB3 LYS 81 HB1 LYS 81 -13.822 -13.245 -0.066 594 HG2 LYS 81 HG2 LYS 81 -14.619 -12.272 2.138 595 HG3 LYS 81 HG1 LYS 81 -15.755 -11.320 1.187 596 HD2 LYS 81 HD2 LYS 81 -16.775 -13.331 0.324 597 HD3 LYS 81 HD1 LYS 81 -15.563 -14.327 1.135 598 HE2 LYS 81 HE2 LYS 81 -17.541 -12.510 2.508 599 HE3 LYS 81 HE1 LYS 81 -17.691 -14.261 2.370 600 HZ1 LYS 81 HZ1 LYS 81 -16.757 -13.393 4.524 601 HZ2 LYS 81 HZ2 LYS 81 -15.355 -12.964 3.668 602 HZ3 LYS 81 HZ3 LYS 81 -15.832 -14.588 3.755 603 HA PRO 82 HA PRO 82 -11.204 -11.623 3.938 604 HB2 PRO 82 HB2 PRO 82 -11.654 -9.318 5.329 605 HB3 PRO 82 HB1 PRO 82 -10.362 -9.495 4.141 606 HG2 PRO 82 HG2 PRO 82 -12.783 -7.894 3.983 607 HG3 PRO 82 HG1 PRO 82 -11.374 -7.887 2.912 608 HD2 PRO 82 HD2 PRO 82 -13.959 -9.202 2.558 609 HD3 PRO 82 HD1 PRO 82 -12.673 -8.913 1.368 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 13.220 -3.644 -6.946 2 H2 GLY 1 HT2 GLY 1 14.339 -4.250 -5.827 3 H3 GLY 1 HT3 GLY 1 12.704 -4.130 -5.407 4 HA2 GLY 1 HA1 GLY 1 13.877 -5.929 -7.450 5 HA3 GLY 1 HA2 GLY 1 13.245 -6.411 -5.881 6 HA PRO 2 HA PRO 2 9.894 -7.178 -8.920 7 HB2 PRO 2 HB2 PRO 2 8.675 -9.096 -7.394 8 HB3 PRO 2 HB1 PRO 2 9.995 -9.422 -8.521 9 HG2 PRO 2 HG2 PRO 2 10.080 -9.063 -5.552 10 HG3 PRO 2 HG1 PRO 2 10.945 -10.232 -6.567 11 HD2 PRO 2 HD2 PRO 2 12.134 -8.013 -5.602 12 HD3 PRO 2 HD1 PRO 2 12.553 -8.694 -7.187 13 H GLU 3 HN GLU 3 7.779 -6.567 -8.964 14 HA GLU 3 HA GLU 3 6.861 -5.003 -6.658 15 HB2 GLU 3 HB2 GLU 3 7.104 -3.912 -8.897 16 HB3 GLU 3 HB1 GLU 3 5.861 -4.991 -9.514 17 HG2 GLU 3 HG2 GLU 3 4.255 -4.039 -7.939 18 HG3 GLU 3 HG1 GLU 3 5.503 -2.952 -7.330 19 H HIS 4 HN HIS 4 5.018 -5.516 -5.574 20 HA HIS 4 HA HIS 4 3.428 -7.788 -6.586 21 HB2 HIS 4 HB2 HIS 4 4.143 -7.255 -3.691 22 HB3 HIS 4 HB1 HIS 4 3.188 -8.603 -4.294 23 HD1 HIS 4 HD1 HIS 4 4.489 -10.496 -5.571 24 HD2 HIS 4 HD2 HIS 4 6.889 -7.571 -3.838 25 HE1 HIS 4 HE1 HIS 4 6.814 -11.449 -5.547 26 HE2 HIS 4 HE2 HIS 4 8.199 -9.756 -4.284 27 H ARG 5 HN ARG 5 1.195 -7.738 -6.120 28 HA ARG 5 HA ARG 5 0.106 -5.084 -5.735 29 HB2 ARG 5 HB2 ARG 5 -1.263 -7.761 -6.063 30 HB3 ARG 5 HB1 ARG 5 -2.093 -6.216 -6.008 31 HG2 ARG 5 HG2 ARG 5 -0.087 -7.035 -8.098 32 HG3 ARG 5 HG1 ARG 5 -1.838 -7.097 -8.284 33 HD2 ARG 5 HD2 ARG 5 -1.824 -4.605 -7.766 34 HD3 ARG 5 HD1 ARG 5 -0.075 -4.678 -7.993 35 HE ARG 5 HE ARG 5 -1.785 -5.701 -10.139 36 HH11 ARG 5 HH11 ARG 5 0.308 -3.137 -8.968 37 HH12 ARG 5 HH12 ARG 5 0.561 -2.459 -10.544 38 HH21 ARG 5 HH21 ARG 5 -1.487 -4.777 -12.188 39 HH22 ARG 5 HH22 ARG 5 -0.478 -3.375 -12.372 40 H ALA 6 HN ALA 6 -1.069 -4.338 -3.984 41 HA ALA 6 HA ALA 6 -1.713 -6.160 -1.811 42 HB1 ALA 6 HB1 ALA 6 0.586 -5.519 -1.300 43 HB2 ALA 6 HB2 ALA 6 -0.541 -4.850 -0.119 44 HB3 ALA 6 HB3 ALA 6 0.132 -3.817 -1.380 45 H VAL 7 HN VAL 7 -3.474 -5.487 -0.693 46 HA VAL 7 HA VAL 7 -4.456 -2.769 -1.249 47 HB VAL 7 HB VAL 7 -6.750 -3.620 -0.865 48 HG11 VAL 7 HG11 VAL 7 -6.980 -4.818 -2.992 49 HG12 VAL 7 HG12 VAL 7 -5.231 -5.042 -3.042 50 HG13 VAL 7 HG13 VAL 7 -5.914 -3.419 -3.132 51 HG21 VAL 7 HG21 VAL 7 -6.223 -5.548 0.529 52 HG22 VAL 7 HG22 VAL 7 -5.429 -6.332 -0.837 53 HG23 VAL 7 HG23 VAL 7 -7.167 -6.035 -0.879 54 H GLY 8 HN GLY 8 -5.372 -1.591 0.481 55 HA2 GLY 8 HA2 GLY 8 -5.755 -2.712 3.064 56 HA3 GLY 8 HA1 GLY 8 -4.215 -1.876 2.983 57 H ARG 9 HN ARG 9 -5.235 -0.584 4.691 58 HA ARG 9 HA ARG 9 -6.968 1.529 3.580 59 HB2 ARG 9 HB2 ARG 9 -8.231 0.193 5.162 60 HB3 ARG 9 HB1 ARG 9 -6.958 0.343 6.363 61 HG2 ARG 9 HG2 ARG 9 -7.385 2.721 6.557 62 HG3 ARG 9 HG1 ARG 9 -8.621 2.618 5.299 63 HD2 ARG 9 HD2 ARG 9 -9.959 1.160 6.685 64 HD3 ARG 9 HD1 ARG 9 -8.699 1.125 7.916 65 HE ARG 9 HE ARG 9 -9.160 3.678 7.963 66 HH11 ARG 9 HH11 ARG 9 -11.535 1.147 7.500 67 HH12 ARG 9 HH12 ARG 9 -12.822 2.035 8.265 68 HH21 ARG 9 HH21 ARG 9 -10.840 4.852 8.957 69 HH22 ARG 9 HH22 ARG 9 -12.430 4.155 9.085 70 H ILE 10 HN ILE 10 -6.544 3.650 4.242 71 HA ILE 10 HA ILE 10 -3.759 4.124 4.863 72 HB ILE 10 HB ILE 10 -5.944 6.164 4.440 73 HG12 ILE 10 HG12 ILE 10 -5.783 4.653 2.506 74 HG13 ILE 10 HG11 ILE 10 -5.207 6.266 2.105 75 HG21 ILE 10 HG21 ILE 10 -3.983 7.075 5.496 76 HG22 ILE 10 HG22 ILE 10 -4.063 7.634 3.824 77 HG23 ILE 10 HG23 ILE 10 -2.944 6.346 4.272 78 HD11 ILE 10 HD11 ILE 10 -3.517 3.855 2.701 79 HD12 ILE 10 HD12 ILE 10 -2.897 5.475 2.384 80 HD13 ILE 10 HD13 ILE 10 -3.776 4.604 1.126 81 H GLN 11 HN GLN 11 -2.959 4.584 6.817 82 HA GLN 11 HA GLN 11 -4.771 5.250 9.006 83 HB2 GLN 11 HB2 GLN 11 -1.977 4.268 8.790 84 HB3 GLN 11 HB1 GLN 11 -2.349 5.279 10.177 85 HG2 GLN 11 HG2 GLN 11 -2.568 2.925 10.707 86 HG3 GLN 11 HG1 GLN 11 -4.118 3.756 10.840 87 HE21 GLN 11 HE21 GLN 11 -5.312 1.904 10.581 88 HE22 GLN 11 HE22 GLN 11 -5.422 1.069 9.074 89 H SER 12 HN SER 12 -1.840 6.540 7.495 90 HA SER 12 HA SER 12 -2.830 9.225 7.672 91 HB2 SER 12 HB2 SER 12 -0.360 8.487 9.267 92 HB3 SER 12 HB1 SER 12 -0.950 10.124 8.980 93 HG SER 12 HG SER 12 -2.930 8.596 9.980 94 H ILE 13 HN ILE 13 -1.619 10.676 6.401 95 HA ILE 13 HA ILE 13 0.092 9.332 4.435 96 HB ILE 13 HB ILE 13 -1.276 12.027 4.327 97 HG12 ILE 13 HG12 ILE 13 -1.913 9.455 2.876 98 HG13 ILE 13 HG11 ILE 13 -2.803 10.083 4.258 99 HG21 ILE 13 HG21 ILE 13 0.249 10.541 2.189 100 HG22 ILE 13 HG22 ILE 13 0.753 12.031 2.986 101 HG23 ILE 13 HG23 ILE 13 -0.672 12.025 1.946 102 HD11 ILE 13 HD11 ILE 13 -2.533 11.404 1.572 103 HD12 ILE 13 HD12 ILE 13 -3.403 12.064 2.956 104 HD13 ILE 13 HD13 ILE 13 -3.960 10.575 2.193 105 H GLY 14 HN GLY 14 2.131 10.030 3.964 106 HA2 GLY 14 HA2 GLY 14 3.177 12.297 5.530 107 HA3 GLY 14 HA1 GLY 14 4.095 10.804 5.339 108 H GLU 15 HN GLU 15 5.083 13.283 4.566 109 HA GLU 15 HA GLU 15 4.581 13.878 1.836 110 HB2 GLU 15 HB2 GLU 15 7.090 14.575 3.362 111 HB3 GLU 15 HB1 GLU 15 6.402 15.421 1.985 112 HG2 GLU 15 HG2 GLU 15 5.320 15.301 4.783 113 HG3 GLU 15 HG1 GLU 15 5.978 16.703 3.941 114 H ARG 16 HN ARG 16 6.846 11.784 3.472 115 HA ARG 16 HA ARG 16 8.050 11.089 0.872 116 HB2 ARG 16 HB2 ARG 16 9.458 10.364 3.391 117 HB3 ARG 16 HB1 ARG 16 10.119 10.811 1.826 118 HG2 ARG 16 HG2 ARG 16 10.715 12.625 3.071 119 HG3 ARG 16 HG1 ARG 16 9.158 13.172 2.448 120 HD2 ARG 16 HD2 ARG 16 8.138 12.236 4.567 121 HD3 ARG 16 HD1 ARG 16 9.785 12.065 5.173 122 HE ARG 16 HE ARG 16 9.136 14.708 4.213 123 HH11 ARG 16 HH11 ARG 16 9.240 12.554 6.973 124 HH12 ARG 16 HH12 ARG 16 9.099 13.840 8.142 125 HH21 ARG 16 HH21 ARG 16 8.967 16.391 5.724 126 HH22 ARG 16 HH22 ARG 16 8.972 16.031 7.433 127 H SER 17 HN SER 17 6.404 9.960 3.677 128 HA SER 17 HA SER 17 6.034 7.374 2.528 129 HB2 SER 17 HB2 SER 17 6.904 6.175 4.586 130 HB3 SER 17 HB1 SER 17 8.128 6.857 3.522 131 HG SER 17 HG SER 17 7.693 7.353 6.116 132 H LEU 18 HN LEU 18 4.378 6.207 3.542 133 HA LEU 18 HA LEU 18 2.924 7.607 5.656 134 HB2 LEU 18 HB2 LEU 18 0.801 7.126 4.222 135 HB3 LEU 18 HB1 LEU 18 1.745 8.577 3.960 136 HG LEU 18 HG LEU 18 2.945 7.075 2.157 137 HD11 LEU 18 HD11 LEU 18 1.418 5.548 1.057 138 HD12 LEU 18 HD12 LEU 18 0.205 5.837 2.305 139 HD13 LEU 18 HD13 LEU 18 1.721 5.036 2.717 140 HD21 LEU 18 HD21 LEU 18 1.403 7.982 0.500 141 HD22 LEU 18 HD22 LEU 18 1.794 9.171 1.746 142 HD23 LEU 18 HD23 LEU 18 0.238 8.335 1.777 143 H ILE 19 HN ILE 19 1.105 6.289 6.516 144 HA ILE 19 HA ILE 19 2.080 3.523 6.662 145 HB ILE 19 HB ILE 19 0.246 4.788 8.679 146 HG12 ILE 19 HG12 ILE 19 3.275 4.837 8.701 147 HG13 ILE 19 HG11 ILE 19 2.238 6.237 8.461 148 HG21 ILE 19 HG21 ILE 19 2.187 2.475 8.720 149 HG22 ILE 19 HG22 ILE 19 0.424 2.399 8.814 150 HG23 ILE 19 HG23 ILE 19 1.350 3.091 10.145 151 HD11 ILE 19 HD11 ILE 19 1.344 5.963 10.710 152 HD12 ILE 19 HD12 ILE 19 3.099 6.141 10.730 153 HD13 ILE 19 HD13 ILE 19 2.370 4.550 10.948 154 H ILE 20 HN ILE 20 0.851 1.882 6.128 155 HA ILE 20 HA ILE 20 -2.015 2.299 5.640 156 HB ILE 20 HB ILE 20 -0.083 0.907 3.773 157 HG12 ILE 20 HG12 ILE 20 -1.829 3.338 3.322 158 HG13 ILE 20 HG11 ILE 20 -0.100 3.387 3.649 159 HG21 ILE 20 HG21 ILE 20 -2.034 0.507 2.337 160 HG22 ILE 20 HG22 ILE 20 -3.084 1.176 3.587 161 HG23 ILE 20 HG23 ILE 20 -2.185 -0.311 3.893 162 HD11 ILE 20 HD11 ILE 20 -0.555 3.646 1.278 163 HD12 ILE 20 HD12 ILE 20 -1.417 2.107 1.263 164 HD13 ILE 20 HD13 ILE 20 0.317 2.144 1.583 165 H ALA 21 HN ALA 21 -3.090 0.915 6.875 166 HA ALA 21 HA ALA 21 -2.010 -1.567 7.799 167 HB1 ALA 21 HB1 ALA 21 -4.269 -2.036 8.608 168 HB2 ALA 21 HB2 ALA 21 -4.881 -0.640 7.721 169 HB3 ALA 21 HB3 ALA 21 -3.757 -0.409 9.060 170 H HIS 22 HN HIS 22 -1.336 -2.704 6.038 171 HA HIS 22 HA HIS 22 -3.141 -3.199 3.839 172 HB2 HIS 22 HB2 HIS 22 -1.273 -4.512 2.889 173 HB3 HIS 22 HB1 HIS 22 -0.790 -2.875 3.313 174 HD1 HIS 22 HD1 HIS 22 -0.525 -6.422 4.671 175 HD2 HIS 22 HD2 HIS 22 1.401 -2.739 4.932 176 HE1 HIS 22 HE1 HIS 22 1.577 -6.846 5.983 177 HE2 HIS 22 HE2 HIS 22 2.788 -4.637 6.025 178 H GLU 23 HN GLU 23 -3.835 -5.239 3.189 179 HA GLU 23 HA GLU 23 -4.693 -7.022 5.189 180 HB2 GLU 23 HB2 GLU 23 -4.362 -7.525 2.222 181 HB3 GLU 23 HB1 GLU 23 -5.348 -8.473 3.327 182 HG2 GLU 23 HG2 GLU 23 -5.799 -5.556 2.910 183 HG3 GLU 23 HG1 GLU 23 -6.522 -6.763 1.854 184 H ALA 24 HN ALA 24 -4.157 -9.541 4.368 185 HA ALA 24 HA ALA 24 -1.678 -10.047 5.602 186 HB1 ALA 24 HB1 ALA 24 -3.501 -11.665 5.633 187 HB2 ALA 24 HB2 ALA 24 -2.025 -12.383 4.989 188 HB3 ALA 24 HB3 ALA 24 -3.324 -11.906 3.896 189 H ILE 25 HN ILE 25 -2.649 -10.079 2.238 190 HA ILE 25 HA ILE 25 -1.464 -9.766 0.316 191 HB ILE 25 HB ILE 25 0.955 -9.284 2.070 192 HG12 ILE 25 HG12 ILE 25 -0.982 -7.314 0.830 193 HG13 ILE 25 HG11 ILE 25 -0.849 -7.687 2.545 194 HG21 ILE 25 HG21 ILE 25 1.543 -9.855 -0.225 195 HG22 ILE 25 HG22 ILE 25 1.875 -8.153 0.098 196 HG23 ILE 25 HG23 ILE 25 0.447 -8.613 -0.829 197 HD11 ILE 25 HD11 ILE 25 1.416 -6.788 2.569 198 HD12 ILE 25 HD12 ILE 25 0.250 -5.592 2.003 199 HD13 ILE 25 HD13 ILE 25 1.292 -6.422 0.849 200 HA PRO 26 HA PRO 26 -0.098 -14.142 0.447 201 HB2 PRO 26 HB2 PRO 26 -1.143 -14.690 -2.025 202 HB3 PRO 26 HB1 PRO 26 -2.059 -14.830 -0.520 203 HG2 PRO 26 HG2 PRO 26 -2.046 -12.624 -2.536 204 HG3 PRO 26 HG1 PRO 26 -3.411 -13.324 -1.645 205 HD2 PRO 26 HD2 PRO 26 -2.277 -10.970 -0.945 206 HD3 PRO 26 HD1 PRO 26 -2.978 -12.082 0.247 207 H SER 27 HN SER 27 0.315 -11.477 -1.677 208 HA SER 27 HA SER 27 2.063 -12.499 -3.593 209 HB2 SER 27 HB2 SER 27 2.212 -9.702 -2.469 210 HB3 SER 27 HB1 SER 27 2.525 -10.232 -4.124 211 HG SER 27 HG SER 27 0.367 -9.193 -3.469 212 H ALA 28 HN ALA 28 2.612 -11.504 -0.290 213 HA ALA 28 HA ALA 28 5.486 -12.052 -0.648 214 HB1 ALA 28 HB1 ALA 28 5.991 -10.376 1.020 215 HB2 ALA 28 HB2 ALA 28 4.275 -10.044 1.246 216 HB3 ALA 28 HB3 ALA 28 5.053 -9.657 -0.289 217 H GLN 29 HN GLN 29 2.770 -13.296 0.594 218 HA GLN 29 HA GLN 29 2.237 -14.789 2.218 219 HB2 GLN 29 HB2 GLN 29 5.170 -15.167 1.902 220 HB3 GLN 29 HB1 GLN 29 4.396 -15.921 3.288 221 HG2 GLN 29 HG2 GLN 29 4.481 -17.530 1.550 222 HG3 GLN 29 HG1 GLN 29 2.806 -17.018 1.717 223 HE21 GLN 29 HE21 GLN 29 5.270 -15.127 0.100 224 HE22 GLN 29 HE22 GLN 29 4.627 -15.303 -1.497 225 H TRP 30 HN TRP 30 2.384 -12.100 2.953 226 HA TRP 30 HA TRP 30 3.630 -12.026 5.590 227 HB2 TRP 30 HB2 TRP 30 2.466 -9.925 3.787 228 HB3 TRP 30 HB1 TRP 30 2.738 -9.596 5.497 229 HD1 TRP 30 HD1 TRP 30 5.491 -11.750 4.715 230 HE1 TRP 30 HE1 TRP 30 7.608 -10.445 4.056 231 HE3 TRP 30 HE3 TRP 30 3.381 -7.177 3.803 232 HZ2 TRP 30 HZ2 TRP 30 8.294 -7.824 3.265 233 HZ3 TRP 30 HZ3 TRP 30 4.843 -5.328 3.101 234 HH2 TRP 30 HH2 TRP 30 7.247 -5.647 2.837 235 H GLY 31 HN GLY 31 2.317 -10.777 7.257 236 HA2 GLY 31 HA2 GLY 31 -0.448 -11.776 7.280 237 HA3 GLY 31 HA1 GLY 31 0.472 -11.297 8.704 238 H ALA 32 HN ALA 32 -2.014 -10.293 8.359 239 HA ALA 32 HA ALA 32 -2.007 -7.756 7.032 240 HB1 ALA 32 HB1 ALA 32 -4.073 -9.052 7.294 241 HB2 ALA 32 HB2 ALA 32 -4.215 -7.456 8.031 242 HB3 ALA 32 HB3 ALA 32 -3.960 -8.876 9.045 243 H MET 33 HN MET 33 -1.154 -5.935 7.804 244 HA MET 33 HA MET 33 -1.213 -5.232 10.564 245 HB2 MET 33 HB2 MET 33 1.401 -5.065 10.605 246 HB3 MET 33 HB1 MET 33 0.597 -6.568 11.031 247 HG2 MET 33 HG2 MET 33 1.103 -7.541 8.943 248 HG3 MET 33 HG1 MET 33 1.608 -6.002 8.265 249 HE1 MET 33 HE1 MET 33 3.849 -7.113 7.352 250 HE2 MET 33 HE2 MET 33 3.309 -8.660 8.004 251 HE3 MET 33 HE3 MET 33 4.935 -8.078 8.356 252 H THR 34 HN THR 34 -0.469 -3.173 11.018 253 HA THR 34 HA THR 34 -0.704 -1.347 8.808 254 HB THR 34 HB THR 34 0.035 -0.599 11.634 255 HG1 THR 34 HG1 THR 34 -1.731 -1.905 11.933 256 HG21 THR 34 HG21 THR 34 -1.652 0.753 9.523 257 HG22 THR 34 HG22 THR 34 0.002 1.186 9.955 258 HG23 THR 34 HG23 THR 34 -1.298 1.392 11.128 259 H MET 35 HN MET 35 1.001 -1.050 7.528 260 HA MET 35 HA MET 35 3.642 -0.675 8.787 261 HB2 MET 35 HB2 MET 35 2.926 -2.211 6.318 262 HB3 MET 35 HB1 MET 35 4.535 -1.537 6.526 263 HG2 MET 35 HG2 MET 35 4.825 -2.815 8.562 264 HG3 MET 35 HG1 MET 35 3.199 -3.464 8.392 265 HE1 MET 35 HE1 MET 35 6.490 -4.176 5.265 266 HE2 MET 35 HE2 MET 35 6.771 -3.258 6.743 267 HE3 MET 35 HE3 MET 35 5.634 -2.653 5.536 268 H GLU 36 HN GLU 36 5.185 0.507 7.443 269 HA GLU 36 HA GLU 36 3.845 2.758 6.118 270 HB2 GLU 36 HB2 GLU 36 5.296 3.375 7.981 271 HB3 GLU 36 HB1 GLU 36 6.645 2.525 7.238 272 HG2 GLU 36 HG2 GLU 36 6.411 4.090 5.288 273 HG3 GLU 36 HG1 GLU 36 5.280 5.016 6.269 274 H PHE 37 HN PHE 37 4.209 3.256 4.030 275 HA PHE 37 HA PHE 37 6.185 1.635 2.549 276 HB2 PHE 37 HB2 PHE 37 3.523 2.743 1.607 277 HB3 PHE 37 HB1 PHE 37 4.713 1.993 0.549 278 HD1 PHE 37 HD1 PHE 37 2.282 1.406 3.242 279 HD2 PHE 37 HD2 PHE 37 5.024 -0.381 0.523 280 HE1 PHE 37 HE1 PHE 37 1.313 -0.803 3.720 281 HE2 PHE 37 HE2 PHE 37 4.055 -2.591 0.992 282 HZ PHE 37 HZ PHE 37 2.198 -2.805 2.592 283 H ALA 38 HN ALA 38 7.728 2.726 1.504 284 HA ALA 38 HA ALA 38 7.947 5.552 1.786 285 HB1 ALA 38 HB1 ALA 38 9.553 3.647 0.082 286 HB2 ALA 38 HB2 ALA 38 9.924 4.125 1.739 287 HB3 ALA 38 HB3 ALA 38 9.985 5.320 0.442 288 H ALA 39 HN ALA 39 7.379 7.138 0.416 289 HA ALA 39 HA ALA 39 5.618 6.452 -1.756 290 HB1 ALA 39 HB1 ALA 39 5.235 8.857 -1.917 291 HB2 ALA 39 HB2 ALA 39 6.564 9.151 -0.794 292 HB3 ALA 39 HB3 ALA 39 5.114 8.313 -0.242 293 HA PRO 40 HA PRO 40 8.532 6.769 -5.111 294 HB2 PRO 40 HB2 PRO 40 6.804 7.789 -7.003 295 HB3 PRO 40 HB1 PRO 40 6.927 6.075 -6.593 296 HG2 PRO 40 HG2 PRO 40 4.940 8.107 -5.673 297 HG3 PRO 40 HG1 PRO 40 4.684 6.410 -6.123 298 HD2 PRO 40 HD2 PRO 40 4.780 7.202 -3.554 299 HD3 PRO 40 HD1 PRO 40 5.413 5.627 -4.069 300 HA PRO 41 HA PRO 41 10.031 10.910 -4.937 301 HB2 PRO 41 HB2 PRO 41 11.088 11.169 -7.470 302 HB3 PRO 41 HB1 PRO 41 11.890 10.343 -6.129 303 HG2 PRO 41 HG2 PRO 41 10.292 9.191 -8.382 304 HG3 PRO 41 HG1 PRO 41 11.803 8.602 -7.660 305 HD2 PRO 41 HD2 PRO 41 9.449 7.478 -7.063 306 HD3 PRO 41 HD1 PRO 41 10.716 7.674 -5.834 307 H ALA 42 HN ALA 42 7.738 9.968 -7.330 308 HA ALA 42 HA ALA 42 7.266 12.545 -8.451 309 HB1 ALA 42 HB1 ALA 42 5.263 11.523 -9.416 310 HB2 ALA 42 HB2 ALA 42 5.500 10.099 -8.403 311 HB3 ALA 42 HB3 ALA 42 6.682 10.504 -9.649 312 H GLY 43 HN GLY 43 6.145 10.843 -5.634 313 HA2 GLY 43 HA2 GLY 43 5.263 12.129 -3.793 314 HA3 GLY 43 HA1 GLY 43 4.450 13.149 -4.971 315 H LEU 44 HN LEU 44 2.742 12.458 -3.283 316 HA LEU 44 HA LEU 44 1.525 9.901 -4.029 317 HB2 LEU 44 HB2 LEU 44 0.926 11.759 -1.735 318 HB3 LEU 44 HB1 LEU 44 0.029 10.297 -2.075 319 HG LEU 44 HG LEU 44 1.468 9.686 -0.356 320 HD11 LEU 44 HD11 LEU 44 3.059 8.118 -1.334 321 HD12 LEU 44 HD12 LEU 44 2.875 8.910 -2.898 322 HD13 LEU 44 HD13 LEU 44 1.504 8.075 -2.168 323 HD21 LEU 44 HD21 LEU 44 3.821 10.228 -0.213 324 HD22 LEU 44 HD22 LEU 44 2.874 11.705 -0.409 325 HD23 LEU 44 HD23 LEU 44 3.755 11.034 -1.781 326 HA PRO 45 HA PRO 45 -1.706 12.062 -6.242 327 HB2 PRO 45 HB2 PRO 45 -3.384 9.969 -6.538 328 HB3 PRO 45 HB1 PRO 45 -1.906 10.142 -7.494 329 HG2 PRO 45 HG2 PRO 45 -2.460 8.389 -5.158 330 HG3 PRO 45 HG1 PRO 45 -1.456 8.079 -6.581 331 HD2 PRO 45 HD2 PRO 45 -0.500 8.812 -4.089 332 HD3 PRO 45 HD1 PRO 45 0.389 9.006 -5.611 333 H GLN 46 HN GLN 46 -4.298 11.653 -6.095 334 HA GLN 46 HA GLN 46 -4.944 12.203 -3.288 335 HB2 GLN 46 HB2 GLN 46 -6.828 13.510 -4.104 336 HB3 GLN 46 HB1 GLN 46 -5.330 14.089 -4.811 337 HG2 GLN 46 HG2 GLN 46 -7.222 12.230 -6.218 338 HG3 GLN 46 HG1 GLN 46 -7.297 13.982 -6.354 339 HE21 GLN 46 HE21 GLN 46 -5.686 11.093 -7.296 340 HE22 GLN 46 HE22 GLN 46 -4.610 11.813 -8.452 341 H GLY 47 HN GLY 47 -6.887 11.367 -2.421 342 HA2 GLY 47 HA2 GLY 47 -8.846 9.990 -2.572 343 HA3 GLY 47 HA1 GLY 47 -8.114 9.159 -3.935 344 H LEU 48 HN LEU 48 -5.994 9.777 -1.354 345 HA LEU 48 HA LEU 48 -6.359 7.086 -0.277 346 HB2 LEU 48 HB2 LEU 48 -3.769 7.069 -0.237 347 HB3 LEU 48 HB1 LEU 48 -4.621 6.681 -1.708 348 HG LEU 48 HG LEU 48 -4.162 8.910 -2.604 349 HD11 LEU 48 HD11 LEU 48 -4.113 10.171 -0.499 350 HD12 LEU 48 HD12 LEU 48 -2.676 10.459 -1.479 351 HD13 LEU 48 HD13 LEU 48 -2.587 9.390 -0.078 352 HD21 LEU 48 HD21 LEU 48 -1.715 7.530 -1.526 353 HD22 LEU 48 HD22 LEU 48 -1.756 8.663 -2.878 354 HD23 LEU 48 HD23 LEU 48 -2.584 7.111 -3.002 355 H LYS 49 HN LYS 49 -7.412 8.992 1.181 356 HA LYS 49 HA LYS 49 -5.408 10.194 2.947 357 HB2 LYS 49 HB2 LYS 49 -8.402 10.556 2.729 358 HB3 LYS 49 HB1 LYS 49 -7.408 11.354 3.936 359 HG2 LYS 49 HG2 LYS 49 -6.985 11.663 0.984 360 HG3 LYS 49 HG1 LYS 49 -8.012 12.731 1.943 361 HD2 LYS 49 HD2 LYS 49 -6.012 13.134 3.417 362 HD3 LYS 49 HD1 LYS 49 -5.049 12.286 2.204 363 HE2 LYS 49 HE2 LYS 49 -4.897 14.648 1.791 364 HE3 LYS 49 HE1 LYS 49 -5.852 13.907 0.506 365 HZ1 LYS 49 HZ1 LYS 49 -7.868 14.617 1.699 366 HZ2 LYS 49 HZ2 LYS 49 -6.900 15.923 1.222 367 HZ3 LYS 49 HZ3 LYS 49 -6.897 15.413 2.843 368 H ALA 50 HN ALA 50 -5.711 10.093 5.279 369 HA ALA 50 HA ALA 50 -5.934 7.633 6.431 370 HB1 ALA 50 HB1 ALA 50 -5.129 9.610 7.607 371 HB2 ALA 50 HB2 ALA 50 -6.370 8.779 8.546 372 HB3 ALA 50 HB3 ALA 50 -6.770 10.254 7.663 373 H GLY 51 HN GLY 51 -7.530 6.197 6.307 374 HA2 GLY 51 HA2 GLY 51 -9.726 5.595 7.153 375 HA3 GLY 51 HA1 GLY 51 -10.294 7.178 6.646 376 H ASP 52 HN ASP 52 -8.449 6.520 4.144 377 HA ASP 52 HA ASP 52 -10.657 5.432 2.600 378 HB2 ASP 52 HB2 ASP 52 -7.979 6.577 1.844 379 HB3 ASP 52 HB1 ASP 52 -8.944 5.681 0.681 380 H ARG 53 HN ARG 53 -10.504 3.614 1.280 381 HA ARG 53 HA ARG 53 -8.372 1.752 2.000 382 HB2 ARG 53 HB2 ARG 53 -10.764 1.047 2.333 383 HB3 ARG 53 HB1 ARG 53 -10.956 1.109 0.587 384 HG2 ARG 53 HG2 ARG 53 -9.525 -0.685 0.237 385 HG3 ARG 53 HG1 ARG 53 -8.796 -0.532 1.835 386 HD2 ARG 53 HD2 ARG 53 -10.774 -1.361 2.890 387 HD3 ARG 53 HD1 ARG 53 -11.663 -1.318 1.367 388 HE ARG 53 HE ARG 53 -10.317 -3.148 0.594 389 HH11 ARG 53 HH11 ARG 53 -10.029 -2.418 4.012 390 HH12 ARG 53 HH12 ARG 53 -9.413 -3.997 4.434 391 HH21 ARG 53 HH21 ARG 53 -9.526 -5.228 1.142 392 HH22 ARG 53 HH22 ARG 53 -9.138 -5.606 2.793 393 H VAL 54 HN VAL 54 -6.879 1.263 0.508 394 HA VAL 54 HA VAL 54 -7.349 2.183 -2.243 395 HB VAL 54 HB VAL 54 -4.903 2.870 -2.285 396 HG11 VAL 54 HG11 VAL 54 -6.778 4.346 -0.435 397 HG12 VAL 54 HG12 VAL 54 -6.702 4.504 -2.190 398 HG13 VAL 54 HG13 VAL 54 -5.342 5.029 -1.197 399 HG21 VAL 54 HG21 VAL 54 -5.241 2.689 0.714 400 HG22 VAL 54 HG22 VAL 54 -3.853 3.365 -0.140 401 HG23 VAL 54 HG23 VAL 54 -4.213 1.643 -0.271 402 H ALA 55 HN ALA 55 -6.450 1.009 -3.873 403 HA ALA 55 HA ALA 55 -5.219 -1.561 -3.124 404 HB1 ALA 55 HB1 ALA 55 -7.283 -1.761 -4.422 405 HB2 ALA 55 HB2 ALA 55 -5.899 -2.328 -5.360 406 HB3 ALA 55 HB3 ALA 55 -6.598 -0.740 -5.686 407 H PHE 56 HN PHE 56 -3.079 -1.775 -3.532 408 HA PHE 56 HA PHE 56 -1.884 0.037 -5.489 409 HB2 PHE 56 HB2 PHE 56 -0.112 0.649 -3.852 410 HB3 PHE 56 HB1 PHE 56 -1.708 1.242 -3.433 411 HD1 PHE 56 HD1 PHE 56 -2.945 0.286 -1.542 412 HD2 PHE 56 HD2 PHE 56 1.032 -0.928 -2.462 413 HE1 PHE 56 HE1 PHE 56 -2.727 -0.696 0.704 414 HE2 PHE 56 HE2 PHE 56 1.248 -1.916 -0.219 415 HZ PHE 56 HZ PHE 56 -0.630 -1.800 1.365 416 H SER 57 HN SER 57 0.568 -0.398 -5.570 417 HA SER 57 HA SER 57 1.224 -3.181 -4.969 418 HB2 SER 57 HB2 SER 57 2.491 -3.223 -7.186 419 HB3 SER 57 HB1 SER 57 0.735 -3.322 -7.284 420 HG SER 57 HG SER 57 2.317 -1.576 -8.454 421 H PHE 58 HN PHE 58 3.343 -3.516 -4.402 422 HA PHE 58 HA PHE 58 5.036 -1.121 -4.194 423 HB2 PHE 58 HB2 PHE 58 5.643 -1.696 -1.921 424 HB3 PHE 58 HB1 PHE 58 3.888 -1.578 -2.021 425 HD1 PHE 58 HD1 PHE 58 2.545 -3.698 -2.183 426 HD2 PHE 58 HD2 PHE 58 6.682 -3.668 -1.189 427 HE1 PHE 58 HE1 PHE 58 2.325 -5.945 -1.209 428 HE2 PHE 58 HE2 PHE 58 6.470 -5.918 -0.221 429 HZ PHE 58 HZ PHE 58 4.321 -7.088 -0.302 430 H ARG 59 HN ARG 59 7.307 -1.583 -4.028 431 HA ARG 59 HA ARG 59 7.972 -4.222 -5.137 432 HB2 ARG 59 HB2 ARG 59 9.422 -1.583 -5.341 433 HB3 ARG 59 HB1 ARG 59 10.112 -3.115 -5.869 434 HG2 ARG 59 HG2 ARG 59 8.255 -3.400 -7.433 435 HG3 ARG 59 HG1 ARG 59 7.591 -1.852 -6.915 436 HD2 ARG 59 HD2 ARG 59 9.648 -0.743 -7.679 437 HD3 ARG 59 HD1 ARG 59 10.254 -2.301 -8.244 438 HE ARG 59 HE ARG 59 8.111 -2.273 -9.657 439 HH11 ARG 59 HH11 ARG 59 9.944 0.592 -8.791 440 HH12 ARG 59 HH12 ARG 59 9.490 1.458 -10.233 441 HH21 ARG 59 HH21 ARG 59 7.545 -1.151 -11.549 442 HH22 ARG 59 HH22 ARG 59 8.128 0.469 -11.791 443 H LEU 60 HN LEU 60 9.382 -5.519 -4.162 444 HA LEU 60 HA LEU 60 10.366 -4.683 -1.529 445 HB2 LEU 60 HB2 LEU 60 9.606 -7.319 -2.711 446 HB3 LEU 60 HB1 LEU 60 10.804 -7.286 -1.433 447 HG LEU 60 HG LEU 60 8.008 -6.177 -1.197 448 HD11 LEU 60 HD11 LEU 60 7.979 -8.600 -1.408 449 HD12 LEU 60 HD12 LEU 60 7.591 -8.113 0.242 450 HD13 LEU 60 HD13 LEU 60 9.196 -8.737 -0.138 451 HD21 LEU 60 HD21 LEU 60 9.590 -5.035 0.239 452 HD22 LEU 60 HD22 LEU 60 10.199 -6.578 0.836 453 HD23 LEU 60 HD23 LEU 60 8.545 -6.081 1.199 454 H ASP 61 HN ASP 61 12.452 -4.306 -1.277 455 HA ASP 61 HA ASP 61 14.335 -5.288 -3.287 456 HB2 ASP 61 HB2 ASP 61 14.620 -3.354 -1.002 457 HB3 ASP 61 HB1 ASP 61 16.018 -4.002 -1.829 458 HA PRO 62 HA PRO 62 15.836 -8.692 -1.076 459 HB2 PRO 62 HB2 PRO 62 18.644 -7.848 -1.114 460 HB3 PRO 62 HB1 PRO 62 17.862 -9.162 -1.995 461 HG2 PRO 62 HG2 PRO 62 18.742 -6.929 -3.230 462 HG3 PRO 62 HG1 PRO 62 17.306 -7.814 -3.779 463 HD2 PRO 62 HD2 PRO 62 17.471 -5.307 -2.137 464 HD3 PRO 62 HD1 PRO 62 16.373 -5.700 -3.475 465 H HIS 63 HN HIS 63 16.271 -5.664 0.221 466 HA HIS 63 HA HIS 63 17.506 -6.506 2.715 467 HB2 HIS 63 HB2 HIS 63 16.465 -3.869 1.687 468 HB3 HIS 63 HB1 HIS 63 17.007 -4.091 3.340 469 HD1 HIS 63 HD1 HIS 63 19.554 -4.277 3.739 470 HD2 HIS 63 HD2 HIS 63 18.491 -3.805 -0.253 471 HE1 HIS 63 HE1 HIS 63 21.689 -3.718 2.529 472 HE2 HIS 63 HE2 HIS 63 20.984 -3.254 0.148 473 H GLY 64 HN GLY 64 14.490 -6.443 1.318 474 HA2 GLY 64 HA2 GLY 64 12.439 -7.065 2.234 475 HA3 GLY 64 HA1 GLY 64 13.130 -6.893 3.845 476 H MET 65 HN MET 65 13.313 -4.485 1.324 477 HA MET 65 HA MET 65 11.928 -2.591 3.073 478 HB2 MET 65 HB2 MET 65 13.430 -2.026 0.506 479 HB3 MET 65 HB1 MET 65 12.890 -0.851 1.698 480 HG2 MET 65 HG2 MET 65 14.410 -1.920 3.343 481 HG3 MET 65 HG1 MET 65 15.023 -2.936 2.044 482 HE1 MET 65 HE1 MET 65 16.224 -1.897 -0.172 483 HE2 MET 65 HE2 MET 65 16.522 -0.168 -0.372 484 HE3 MET 65 HE3 MET 65 14.870 -0.784 -0.380 485 H ALA 66 HN ALA 66 10.125 -1.410 2.365 486 HA ALA 66 HA ALA 66 8.791 -2.622 0.043 487 HB1 ALA 66 HB1 ALA 66 6.657 -2.373 1.243 488 HB2 ALA 66 HB2 ALA 66 7.528 -1.775 2.655 489 HB3 ALA 66 HB3 ALA 66 7.773 -3.432 2.103 490 H THR 67 HN THR 67 8.844 -1.138 -1.482 491 HA THR 67 HA THR 67 8.406 1.666 -0.724 492 HB THR 67 HB THR 67 9.532 0.857 -3.384 493 HG1 THR 67 HG1 THR 67 10.643 -0.023 -1.267 494 HG21 THR 67 HG21 THR 67 10.687 3.004 -3.137 495 HG22 THR 67 HG22 THR 67 9.977 3.196 -1.533 496 HG23 THR 67 HG23 THR 67 8.942 3.198 -2.963 497 H LEU 68 HN LEU 68 6.626 2.659 -1.410 498 HA LEU 68 HA LEU 68 4.601 1.150 -2.757 499 HB2 LEU 68 HB2 LEU 68 4.673 3.324 -1.030 500 HB3 LEU 68 HB1 LEU 68 4.138 4.019 -2.543 501 HG LEU 68 HG LEU 68 2.805 1.761 -1.049 502 HD11 LEU 68 HD11 LEU 68 2.497 3.935 -0.009 503 HD12 LEU 68 HD12 LEU 68 0.995 3.363 -0.734 504 HD13 LEU 68 HD13 LEU 68 1.947 4.606 -1.545 505 HD21 LEU 68 HD21 LEU 68 2.591 1.477 -3.466 506 HD22 LEU 68 HD22 LEU 68 1.969 3.122 -3.605 507 HD23 LEU 68 HD23 LEU 68 1.051 1.901 -2.722 508 H VAL 69 HN VAL 69 4.089 1.179 -4.887 509 HA VAL 69 HA VAL 69 5.684 2.966 -6.593 510 HB VAL 69 HB VAL 69 4.250 0.471 -7.486 511 HG11 VAL 69 HG11 VAL 69 4.832 2.030 -9.254 512 HG12 VAL 69 HG12 VAL 69 5.827 0.577 -9.361 513 HG13 VAL 69 HG13 VAL 69 6.506 2.063 -8.698 514 HG21 VAL 69 HG21 VAL 69 5.844 -0.135 -5.736 515 HG22 VAL 69 HG22 VAL 69 7.124 0.723 -6.598 516 HG23 VAL 69 HG23 VAL 69 6.381 -0.709 -7.314 517 H THR 70 HN THR 70 2.559 1.279 -6.870 518 HA THR 70 HA THR 70 1.370 3.814 -7.748 519 HB THR 70 HB THR 70 -0.017 2.350 -9.363 520 HG1 THR 70 HG1 THR 70 0.969 0.352 -8.443 521 HG21 THR 70 HG21 THR 70 2.910 2.872 -9.895 522 HG22 THR 70 HG22 THR 70 1.590 4.022 -10.113 523 HG23 THR 70 HG23 THR 70 1.681 2.583 -11.129 524 H VAL 71 HN VAL 71 -0.521 4.275 -6.825 525 HA VAL 71 HA VAL 71 -2.025 2.110 -5.526 526 HB VAL 71 HB VAL 71 -0.791 3.258 -3.762 527 HG11 VAL 71 HG11 VAL 71 -1.168 5.614 -3.262 528 HG12 VAL 71 HG12 VAL 71 -2.154 5.764 -4.713 529 HG13 VAL 71 HG13 VAL 71 -0.432 5.400 -4.853 530 HG21 VAL 71 HG21 VAL 71 -2.948 2.472 -3.105 531 HG22 VAL 71 HG22 VAL 71 -3.734 3.889 -3.800 532 HG23 VAL 71 HG23 VAL 71 -2.711 4.064 -2.373 533 H ALA 72 HN ALA 72 -4.148 2.135 -5.906 534 HA ALA 72 HA ALA 72 -5.334 4.561 -7.096 535 HB1 ALA 72 HB1 ALA 72 -6.745 3.104 -8.467 536 HB2 ALA 72 HB2 ALA 72 -5.937 1.688 -7.796 537 HB3 ALA 72 HB3 ALA 72 -5.034 2.827 -8.794 538 HA PRO 73 HA PRO 73 -8.232 4.573 -3.767 539 HB2 PRO 73 HB2 PRO 73 -10.155 5.310 -5.923 540 HB3 PRO 73 HB1 PRO 73 -9.845 6.107 -4.376 541 HG2 PRO 73 HG2 PRO 73 -8.902 7.162 -6.613 542 HG3 PRO 73 HG1 PRO 73 -7.893 7.125 -5.153 543 HD2 PRO 73 HD2 PRO 73 -7.782 5.377 -7.581 544 HD3 PRO 73 HD1 PRO 73 -6.451 6.053 -6.616 545 H GLN 74 HN GLN 74 -8.732 2.574 -3.072 546 HA GLN 74 HA GLN 74 -10.201 0.680 -4.656 547 HB2 GLN 74 HB2 GLN 74 -8.459 0.460 -2.581 548 HB3 GLN 74 HB1 GLN 74 -9.990 0.291 -1.739 549 HG2 GLN 74 HG2 GLN 74 -10.573 -1.505 -3.393 550 HG3 GLN 74 HG1 GLN 74 -8.904 -1.393 -3.951 551 HE21 GLN 74 HE21 GLN 74 -7.923 -0.822 -1.259 552 HE22 GLN 74 HE22 GLN 74 -7.939 -2.329 -0.420 553 H VAL 75 HN VAL 75 -12.110 -0.388 -3.459 554 HA VAL 75 HA VAL 75 -13.763 1.547 -2.054 555 HB VAL 75 HB VAL 75 -15.745 0.830 -3.506 556 HG11 VAL 75 HG11 VAL 75 -14.802 3.064 -3.603 557 HG12 VAL 75 HG12 VAL 75 -15.217 2.524 -5.232 558 HG13 VAL 75 HG13 VAL 75 -13.535 2.504 -4.696 559 HG21 VAL 75 HG21 VAL 75 -14.666 -1.056 -4.641 560 HG22 VAL 75 HG22 VAL 75 -13.505 0.048 -5.379 561 HG23 VAL 75 HG23 VAL 75 -15.214 0.153 -5.804 562 H GLN 76 HN GLN 76 -13.305 0.252 -0.266 563 HA GLN 76 HA GLN 76 -13.740 -1.364 1.259 564 HB2 GLN 76 HB2 GLN 76 -15.862 -2.113 -0.742 565 HB3 GLN 76 HB1 GLN 76 -15.647 -2.980 0.774 566 HG2 GLN 76 HG2 GLN 76 -16.195 -0.032 0.559 567 HG3 GLN 76 HG1 GLN 76 -17.431 -1.261 0.824 568 HE21 GLN 76 HE21 GLN 76 -15.760 -2.900 2.525 569 HE22 GLN 76 HE22 GLN 76 -15.649 -2.075 4.042 570 H THR 77 HN THR 77 -14.414 -4.145 0.725 571 HA THR 77 HA THR 77 -11.800 -5.072 0.110 572 HB THR 77 HB THR 77 -14.311 -6.735 0.202 573 HG1 THR 77 HG1 THR 77 -14.364 -5.864 2.177 574 HG21 THR 77 HG21 THR 77 -11.417 -7.389 0.768 575 HG22 THR 77 HG22 THR 77 -12.346 -7.911 -0.638 576 HG23 THR 77 HG23 THR 77 -12.770 -8.501 0.970 577 H ALA 78 HN ALA 78 -11.138 -4.614 -1.920 578 HA ALA 78 HA ALA 78 -12.662 -5.837 -4.121 579 HB1 ALA 78 HB1 ALA 78 -12.734 -3.417 -4.322 580 HB2 ALA 78 HB2 ALA 78 -11.745 -4.104 -5.611 581 HB3 ALA 78 HB3 ALA 78 -10.976 -3.336 -4.221 582 H GLY 79 HN GLY 79 -11.565 -7.762 -3.997 583 HA2 GLY 79 HA2 GLY 79 -9.064 -7.859 -5.386 584 HA3 GLY 79 HA1 GLY 79 -8.894 -8.272 -3.683 585 H ALA 80 HN ALA 80 -11.182 -8.942 -6.305 586 HA ALA 80 HA ALA 80 -12.194 -10.825 -7.039 587 HB1 ALA 80 HB1 ALA 80 -11.158 -13.008 -6.702 588 HB2 ALA 80 HB2 ALA 80 -10.060 -12.316 -5.508 589 HB3 ALA 80 HB3 ALA 80 -9.959 -11.813 -7.195 590 H LYS 81 HN LYS 81 -13.451 -12.775 -6.201 591 HA LYS 81 HA LYS 81 -14.322 -12.191 -3.451 592 HB2 LYS 81 HB2 LYS 81 -16.494 -13.093 -4.001 593 HB3 LYS 81 HB1 LYS 81 -16.067 -11.869 -5.185 594 HG2 LYS 81 HG2 LYS 81 -15.630 -13.495 -6.849 595 HG3 LYS 81 HG1 LYS 81 -15.688 -14.811 -5.673 596 HD2 LYS 81 HD2 LYS 81 -18.089 -14.170 -5.248 597 HD3 LYS 81 HD1 LYS 81 -17.967 -13.095 -6.642 598 HE2 LYS 81 HE2 LYS 81 -17.357 -16.041 -6.771 599 HE3 LYS 81 HE1 LYS 81 -18.959 -15.376 -7.077 600 HZ1 LYS 81 HZ1 LYS 81 -16.603 -14.394 -8.564 601 HZ2 LYS 81 HZ2 LYS 81 -18.246 -14.322 -8.995 602 HZ3 LYS 81 HZ3 LYS 81 -17.416 -15.798 -9.050 603 HA PRO 82 HA PRO 82 -12.863 -16.286 -2.532 604 HB2 PRO 82 HB2 PRO 82 -13.496 -16.001 0.190 605 HB3 PRO 82 HB1 PRO 82 -11.964 -15.586 -0.574 606 HG2 PRO 82 HG2 PRO 82 -13.802 -13.796 0.585 607 HG3 PRO 82 HG1 PRO 82 -12.399 -13.376 -0.409 608 HD2 PRO 82 HD2 PRO 82 -15.270 -13.562 -1.168 609 HD3 PRO 82 HD1 PRO 82 -13.992 -12.507 -1.813 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 12.584 -3.368 -5.669 2 H2 GLY 1 HT2 GLY 1 13.492 -3.592 -7.078 3 H3 GLY 1 HT3 GLY 1 14.231 -3.743 -5.558 4 HA2 GLY 1 HA1 GLY 1 13.823 -5.913 -6.564 5 HA3 GLY 1 HA2 GLY 1 12.941 -5.697 -5.058 6 HA PRO 2 HA PRO 2 10.018 -7.186 -8.421 7 HB2 PRO 2 HB2 PRO 2 8.810 -9.044 -6.804 8 HB3 PRO 2 HB1 PRO 2 10.186 -9.383 -7.859 9 HG2 PRO 2 HG2 PRO 2 10.137 -8.829 -4.922 10 HG3 PRO 2 HG1 PRO 2 11.103 -10.010 -5.827 11 HD2 PRO 2 HD2 PRO 2 12.137 -7.679 -4.962 12 HD3 PRO 2 HD1 PRO 2 12.648 -8.434 -6.484 13 H GLU 3 HN GLU 3 7.916 -6.648 -8.646 14 HA GLU 3 HA GLU 3 6.834 -4.826 -6.639 15 HB2 GLU 3 HB2 GLU 3 7.007 -4.197 -9.046 16 HB3 GLU 3 HB1 GLU 3 5.871 -5.478 -9.436 17 HG2 GLU 3 HG2 GLU 3 4.174 -4.336 -8.047 18 HG3 GLU 3 HG1 GLU 3 5.326 -3.026 -7.785 19 H HIS 4 HN HIS 4 5.339 -5.472 -5.198 20 HA HIS 4 HA HIS 4 3.635 -7.781 -5.907 21 HB2 HIS 4 HB2 HIS 4 4.276 -6.983 -3.068 22 HB3 HIS 4 HB1 HIS 4 3.654 -8.515 -3.662 23 HD1 HIS 4 HD1 HIS 4 5.418 -10.110 -4.878 24 HD2 HIS 4 HD2 HIS 4 7.017 -6.802 -2.915 25 HE1 HIS 4 HE1 HIS 4 7.866 -10.610 -4.576 26 HE2 HIS 4 HE2 HIS 4 8.775 -8.686 -3.225 27 H ARG 5 HN ARG 5 1.507 -7.324 -6.019 28 HA ARG 5 HA ARG 5 0.523 -4.757 -5.207 29 HB2 ARG 5 HB2 ARG 5 -0.744 -7.162 -6.463 30 HB3 ARG 5 HB1 ARG 5 -1.751 -5.877 -5.800 31 HG2 ARG 5 HG2 ARG 5 -0.454 -4.273 -7.227 32 HG3 ARG 5 HG1 ARG 5 0.276 -5.678 -8.006 33 HD2 ARG 5 HD2 ARG 5 -1.804 -6.397 -8.864 34 HD3 ARG 5 HD1 ARG 5 -2.697 -5.280 -7.829 35 HE ARG 5 HE ARG 5 -0.856 -4.015 -9.656 36 HH11 ARG 5 HH11 ARG 5 -4.111 -5.285 -9.326 37 HH12 ARG 5 HH12 ARG 5 -4.809 -4.134 -10.427 38 HH21 ARG 5 HH21 ARG 5 -1.752 -2.514 -11.110 39 HH22 ARG 5 HH22 ARG 5 -3.450 -2.566 -11.468 40 H ALA 6 HN ALA 6 -1.055 -4.285 -3.687 41 HA ALA 6 HA ALA 6 -1.984 -6.324 -1.871 42 HB1 ALA 6 HB1 ALA 6 0.251 -5.854 -0.966 43 HB2 ALA 6 HB2 ALA 6 -1.031 -5.365 0.141 44 HB3 ALA 6 HB3 ALA 6 -0.180 -4.149 -0.813 45 H VAL 7 HN VAL 7 -3.722 -5.626 -0.612 46 HA VAL 7 HA VAL 7 -4.651 -2.887 -1.153 47 HB VAL 7 HB VAL 7 -6.952 -3.705 -0.720 48 HG11 VAL 7 HG11 VAL 7 -7.219 -4.892 -2.857 49 HG12 VAL 7 HG12 VAL 7 -5.472 -5.111 -2.939 50 HG13 VAL 7 HG13 VAL 7 -6.162 -3.488 -2.998 51 HG21 VAL 7 HG21 VAL 7 -6.418 -5.656 0.651 52 HG22 VAL 7 HG22 VAL 7 -5.676 -6.441 -0.742 53 HG23 VAL 7 HG23 VAL 7 -7.407 -6.113 -0.737 54 H GLY 8 HN GLY 8 -5.623 -1.726 0.557 55 HA2 GLY 8 HA2 GLY 8 -5.912 -2.780 3.166 56 HA3 GLY 8 HA1 GLY 8 -4.371 -1.947 3.030 57 H ARG 9 HN ARG 9 -5.618 -0.766 4.803 58 HA ARG 9 HA ARG 9 -7.210 1.410 3.611 59 HB2 ARG 9 HB2 ARG 9 -8.449 -0.044 5.239 60 HB3 ARG 9 HB1 ARG 9 -7.302 0.450 6.478 61 HG2 ARG 9 HG2 ARG 9 -7.987 2.812 6.059 62 HG3 ARG 9 HG1 ARG 9 -9.252 2.195 4.996 63 HD2 ARG 9 HD2 ARG 9 -10.162 2.634 7.185 64 HD3 ARG 9 HD1 ARG 9 -10.161 0.899 6.877 65 HE ARG 9 HE ARG 9 -8.285 0.684 8.360 66 HH11 ARG 9 HH11 ARG 9 -9.955 3.764 8.431 67 HH12 ARG 9 HH12 ARG 9 -9.266 4.249 9.951 68 HH21 ARG 9 HH21 ARG 9 -7.418 1.293 10.387 69 HH22 ARG 9 HH22 ARG 9 -7.850 2.828 11.083 70 H ILE 10 HN ILE 10 -6.442 3.406 3.835 71 HA ILE 10 HA ILE 10 -3.749 3.747 4.630 72 HB ILE 10 HB ILE 10 -5.823 5.902 4.226 73 HG12 ILE 10 HG12 ILE 10 -5.637 4.494 2.254 74 HG13 ILE 10 HG11 ILE 10 -4.867 6.047 1.943 75 HG21 ILE 10 HG21 ILE 10 -3.863 7.330 3.758 76 HG22 ILE 10 HG22 ILE 10 -2.808 5.993 4.223 77 HG23 ILE 10 HG23 ILE 10 -3.887 6.723 5.413 78 HD11 ILE 10 HD11 ILE 10 -2.681 5.035 2.331 79 HD12 ILE 10 HD12 ILE 10 -3.565 4.217 1.042 80 HD13 ILE 10 HD13 ILE 10 -3.461 3.482 2.643 81 H GLN 11 HN GLN 11 -2.866 4.144 6.522 82 HA GLN 11 HA GLN 11 -4.585 4.517 8.837 83 HB2 GLN 11 HB2 GLN 11 -2.624 2.867 8.684 84 HB3 GLN 11 HB1 GLN 11 -1.580 4.273 8.827 85 HG2 GLN 11 HG2 GLN 11 -1.799 3.301 10.970 86 HG3 GLN 11 HG1 GLN 11 -2.715 4.807 10.975 87 HE21 GLN 11 HE21 GLN 11 -3.796 1.845 9.470 88 HE22 GLN 11 HE22 GLN 11 -5.100 1.533 10.560 89 H SER 12 HN SER 12 -1.692 6.058 7.427 90 HA SER 12 HA SER 12 -2.770 8.680 7.885 91 HB2 SER 12 HB2 SER 12 -0.247 7.910 9.376 92 HB3 SER 12 HB1 SER 12 -0.987 9.509 9.322 93 HG SER 12 HG SER 12 -2.852 7.806 10.108 94 H ILE 13 HN ILE 13 -1.682 10.269 6.692 95 HA ILE 13 HA ILE 13 0.223 9.231 4.711 96 HB ILE 13 HB ILE 13 -1.309 11.839 4.762 97 HG12 ILE 13 HG12 ILE 13 -1.650 9.389 3.025 98 HG13 ILE 13 HG11 ILE 13 -2.681 9.820 4.384 99 HG21 ILE 13 HG21 ILE 13 -0.513 12.164 2.480 100 HG22 ILE 13 HG22 ILE 13 0.436 10.682 2.589 101 HG23 ILE 13 HG23 ILE 13 0.840 12.063 3.606 102 HD11 ILE 13 HD11 ILE 13 -3.385 11.834 3.240 103 HD12 ILE 13 HD12 ILE 13 -3.674 10.417 2.231 104 HD13 ILE 13 HD13 ILE 13 -2.299 11.472 1.900 105 H GLY 14 HN GLY 14 2.276 9.794 4.682 106 HA2 GLY 14 HA2 GLY 14 3.277 11.691 6.678 107 HA3 GLY 14 HA1 GLY 14 4.232 10.515 5.797 108 H GLU 15 HN GLU 15 5.744 12.036 5.150 109 HA GLU 15 HA GLU 15 4.770 14.110 3.308 110 HB2 GLU 15 HB2 GLU 15 6.832 15.302 3.709 111 HB3 GLU 15 HB1 GLU 15 6.101 14.900 5.252 112 HG2 GLU 15 HG2 GLU 15 8.399 13.427 3.973 113 HG3 GLU 15 HG1 GLU 15 8.534 14.625 5.256 114 H ARG 16 HN ARG 16 7.070 11.500 3.728 115 HA ARG 16 HA ARG 16 7.506 11.445 0.798 116 HB2 ARG 16 HB2 ARG 16 9.368 10.599 3.019 117 HB3 ARG 16 HB1 ARG 16 9.672 10.349 1.308 118 HG2 ARG 16 HG2 ARG 16 9.808 12.711 0.934 119 HG3 ARG 16 HG1 ARG 16 9.337 13.033 2.609 120 HD2 ARG 16 HD2 ARG 16 11.319 12.023 3.439 121 HD3 ARG 16 HD1 ARG 16 11.759 11.435 1.838 122 HE ARG 16 HE ARG 16 11.567 14.210 1.675 123 HH11 ARG 16 HH11 ARG 16 13.488 11.861 3.409 124 HH12 ARG 16 HH12 ARG 16 14.926 12.841 3.400 125 HH21 ARG 16 HH21 ARG 16 13.450 15.506 1.640 126 HH22 ARG 16 HH22 ARG 16 14.893 14.932 2.434 127 H SER 17 HN SER 17 5.974 10.002 3.258 128 HA SER 17 HA SER 17 5.791 7.455 1.935 129 HB2 SER 17 HB2 SER 17 7.858 7.491 3.547 130 HB3 SER 17 HB1 SER 17 6.647 7.420 4.819 131 HG SER 17 HG SER 17 7.190 5.352 4.369 132 H LEU 18 HN LEU 18 4.364 6.036 3.598 133 HA LEU 18 HA LEU 18 2.694 7.513 5.369 134 HB2 LEU 18 HB2 LEU 18 0.547 6.976 4.084 135 HB3 LEU 18 HB1 LEU 18 1.492 8.352 3.578 136 HG LEU 18 HG LEU 18 2.258 6.008 2.119 137 HD11 LEU 18 HD11 LEU 18 -0.061 5.331 2.518 138 HD12 LEU 18 HD12 LEU 18 0.208 5.748 0.827 139 HD13 LEU 18 HD13 LEU 18 -0.613 6.885 1.895 140 HD21 LEU 18 HD21 LEU 18 1.826 7.519 0.228 141 HD22 LEU 18 HD22 LEU 18 2.823 8.271 1.471 142 HD23 LEU 18 HD23 LEU 18 1.112 8.679 1.349 143 H ILE 19 HN ILE 19 1.359 6.216 6.606 144 HA ILE 19 HA ILE 19 2.205 3.425 6.579 145 HB ILE 19 HB ILE 19 0.589 4.778 8.734 146 HG12 ILE 19 HG12 ILE 19 3.605 4.598 8.508 147 HG13 ILE 19 HG11 ILE 19 2.660 6.070 8.329 148 HG21 ILE 19 HG21 ILE 19 1.635 3.024 10.140 149 HG22 ILE 19 HG22 ILE 19 2.392 2.357 8.691 150 HG23 ILE 19 HG23 ILE 19 0.633 2.364 8.847 151 HD11 ILE 19 HD11 ILE 19 3.695 5.939 10.520 152 HD12 ILE 19 HD12 ILE 19 2.878 4.405 10.824 153 HD13 ILE 19 HD13 ILE 19 1.939 5.887 10.650 154 H ILE 20 HN ILE 20 0.892 1.830 6.016 155 HA ILE 20 HA ILE 20 -1.978 2.415 5.680 156 HB ILE 20 HB ILE 20 -0.354 0.661 3.832 157 HG12 ILE 20 HG12 ILE 20 -1.229 3.529 3.379 158 HG13 ILE 20 HG11 ILE 20 0.425 2.993 3.649 159 HG21 ILE 20 HG21 ILE 20 -3.136 1.805 3.614 160 HG22 ILE 20 HG22 ILE 20 -2.708 0.119 3.907 161 HG23 ILE 20 HG23 ILE 20 -2.319 0.872 2.360 162 HD11 ILE 20 HD11 ILE 20 0.362 1.714 1.580 163 HD12 ILE 20 HD12 ILE 20 -0.010 3.415 1.291 164 HD13 ILE 20 HD13 ILE 20 -1.307 2.221 1.314 165 H ALA 21 HN ALA 21 -3.148 1.092 6.936 166 HA ALA 21 HA ALA 21 -2.172 -1.401 7.943 167 HB1 ALA 21 HB1 ALA 21 -3.839 -0.123 9.192 168 HB2 ALA 21 HB2 ALA 21 -4.453 -1.726 8.783 169 HB3 ALA 21 HB3 ALA 21 -4.989 -0.318 7.868 170 H HIS 22 HN HIS 22 -1.620 -2.745 6.278 171 HA HIS 22 HA HIS 22 -3.533 -3.165 4.118 172 HB2 HIS 22 HB2 HIS 22 -1.715 -4.415 3.007 173 HB3 HIS 22 HB1 HIS 22 -1.230 -2.780 3.430 174 HD1 HIS 22 HD1 HIS 22 -0.830 -6.334 4.730 175 HD2 HIS 22 HD2 HIS 22 1.094 -2.641 4.869 176 HE1 HIS 22 HE1 HIS 22 1.351 -6.741 5.923 177 HE2 HIS 22 HE2 HIS 22 2.537 -4.518 5.911 178 H GLU 23 HN GLU 23 -4.255 -5.183 3.500 179 HA GLU 23 HA GLU 23 -4.849 -7.035 5.578 180 HB2 GLU 23 HB2 GLU 23 -5.176 -7.164 2.582 181 HB3 GLU 23 HB1 GLU 23 -5.749 -8.416 3.671 182 HG2 GLU 23 HG2 GLU 23 -6.602 -5.574 4.042 183 HG3 GLU 23 HG1 GLU 23 -7.393 -6.609 2.860 184 H ALA 24 HN ALA 24 -4.629 -9.493 4.404 185 HA ALA 24 HA ALA 24 -1.916 -10.190 4.861 186 HB1 ALA 24 HB1 ALA 24 -3.776 -11.714 5.370 187 HB2 ALA 24 HB2 ALA 24 -2.579 -12.451 4.305 188 HB3 ALA 24 HB3 ALA 24 -4.108 -11.866 3.644 189 H ILE 25 HN ILE 25 -0.364 -9.850 3.535 190 HA ILE 25 HA ILE 25 -0.803 -9.795 0.640 191 HB ILE 25 HB ILE 25 1.659 -9.025 2.219 192 HG12 ILE 25 HG12 ILE 25 -0.473 -7.250 1.005 193 HG13 ILE 25 HG11 ILE 25 -0.284 -7.580 2.725 194 HG21 ILE 25 HG21 ILE 25 2.336 -7.901 0.128 195 HG22 ILE 25 HG22 ILE 25 0.911 -8.566 -0.670 196 HG23 ILE 25 HG23 ILE 25 2.168 -9.646 -0.070 197 HD11 ILE 25 HD11 ILE 25 1.901 -6.520 2.694 198 HD12 ILE 25 HD12 ILE 25 0.646 -5.422 2.119 199 HD13 ILE 25 HD13 ILE 25 1.732 -6.203 0.967 200 HA PRO 26 HA PRO 26 0.926 -13.987 1.038 201 HB2 PRO 26 HB2 PRO 26 -0.097 -14.358 -1.676 202 HB3 PRO 26 HB1 PRO 26 -0.548 -15.201 -0.193 203 HG2 PRO 26 HG2 PRO 26 -2.216 -13.481 -1.448 204 HG3 PRO 26 HG1 PRO 26 -2.217 -13.696 0.312 205 HD2 PRO 26 HD2 PRO 26 -0.968 -11.517 -1.330 206 HD3 PRO 26 HD1 PRO 26 -1.867 -11.400 0.199 207 H SER 27 HN SER 27 1.555 -11.458 -1.161 208 HA SER 27 HA SER 27 3.459 -12.812 -2.802 209 HB2 SER 27 HB2 SER 27 3.390 -9.836 -2.388 210 HB3 SER 27 HB1 SER 27 3.745 -10.748 -3.856 211 HG SER 27 HG SER 27 1.715 -10.691 -4.332 212 H ALA 28 HN ALA 28 3.587 -10.875 0.128 213 HA ALA 28 HA ALA 28 6.495 -11.348 0.248 214 HB1 ALA 28 HB1 ALA 28 4.955 -9.040 1.433 215 HB2 ALA 28 HB2 ALA 28 5.944 -8.977 -0.025 216 HB3 ALA 28 HB3 ALA 28 6.696 -9.292 1.537 217 H GLN 29 HN GLN 29 3.770 -12.531 1.380 218 HA GLN 29 HA GLN 29 3.116 -13.733 3.169 219 HB2 GLN 29 HB2 GLN 29 6.073 -13.761 3.439 220 HB3 GLN 29 HB1 GLN 29 5.138 -14.273 4.836 221 HG2 GLN 29 HG2 GLN 29 5.722 -16.196 3.537 222 HG3 GLN 29 HG1 GLN 29 3.986 -15.931 3.420 223 HE21 GLN 29 HE21 GLN 29 6.440 -14.130 1.662 224 HE22 GLN 29 HE22 GLN 29 5.995 -14.704 0.094 225 H TRP 30 HN TRP 30 3.090 -10.823 3.256 226 HA TRP 30 HA TRP 30 3.562 -10.169 6.051 227 HB2 TRP 30 HB2 TRP 30 2.476 -8.560 3.727 228 HB3 TRP 30 HB1 TRP 30 2.538 -7.939 5.371 229 HD1 TRP 30 HD1 TRP 30 5.576 -9.911 4.935 230 HE1 TRP 30 HE1 TRP 30 7.586 -8.412 4.343 231 HE3 TRP 30 HE3 TRP 30 3.066 -5.629 3.723 232 HZ2 TRP 30 HZ2 TRP 30 8.039 -5.768 3.483 233 HZ3 TRP 30 HZ3 TRP 30 4.362 -3.660 3.026 234 HH2 TRP 30 HH2 TRP 30 6.799 -3.729 2.909 235 H GLY 31 HN GLY 31 2.134 -10.839 7.494 236 HA2 GLY 31 HA2 GLY 31 -0.514 -11.630 6.573 237 HA3 GLY 31 HA1 GLY 31 0.225 -12.062 8.105 238 H ALA 32 HN ALA 32 -0.943 -9.220 6.352 239 HA ALA 32 HA ALA 32 -2.214 -7.452 6.935 240 HB1 ALA 32 HB1 ALA 32 -3.869 -9.203 7.254 241 HB2 ALA 32 HB2 ALA 32 -4.117 -7.873 8.388 242 HB3 ALA 32 HB3 ALA 32 -3.372 -9.377 8.938 243 H MET 33 HN MET 33 -1.014 -5.850 7.730 244 HA MET 33 HA MET 33 -1.109 -5.259 10.488 245 HB2 MET 33 HB2 MET 33 1.371 -5.207 10.875 246 HB3 MET 33 HB1 MET 33 0.670 -6.814 10.780 247 HG2 MET 33 HG2 MET 33 1.423 -6.922 8.406 248 HG3 MET 33 HG1 MET 33 2.273 -5.399 8.670 249 HE1 MET 33 HE1 MET 33 5.154 -8.093 8.596 250 HE2 MET 33 HE2 MET 33 4.512 -6.633 7.842 251 HE3 MET 33 HE3 MET 33 3.657 -8.166 7.667 252 H THR 34 HN THR 34 -0.393 -3.176 10.972 253 HA THR 34 HA THR 34 -0.654 -1.406 8.730 254 HB THR 34 HB THR 34 -0.131 -0.722 11.631 255 HG1 THR 34 HG1 THR 34 -2.184 -1.143 11.985 256 HG21 THR 34 HG21 THR 34 -1.400 0.876 9.404 257 HG22 THR 34 HG22 THR 34 0.222 1.130 10.052 258 HG23 THR 34 HG23 THR 34 -1.191 1.401 11.074 259 H MET 35 HN MET 35 1.065 -1.090 7.469 260 HA MET 35 HA MET 35 3.635 -0.467 8.760 261 HB2 MET 35 HB2 MET 35 3.144 -2.228 6.375 262 HB3 MET 35 HB1 MET 35 4.716 -1.514 6.712 263 HG2 MET 35 HG2 MET 35 4.814 -2.654 8.831 264 HG3 MET 35 HG1 MET 35 3.203 -3.308 8.571 265 HE1 MET 35 HE1 MET 35 6.110 -2.798 6.019 266 HE2 MET 35 HE2 MET 35 6.911 -4.369 6.069 267 HE3 MET 35 HE3 MET 35 6.931 -3.321 7.489 268 H GLU 36 HN GLU 36 5.120 0.688 7.358 269 HA GLU 36 HA GLU 36 3.639 2.797 5.965 270 HB2 GLU 36 HB2 GLU 36 5.227 3.305 7.862 271 HB3 GLU 36 HB1 GLU 36 6.538 2.805 6.804 272 HG2 GLU 36 HG2 GLU 36 5.947 4.566 5.232 273 HG3 GLU 36 HG1 GLU 36 4.621 5.063 6.280 274 H PHE 37 HN PHE 37 4.250 3.545 3.902 275 HA PHE 37 HA PHE 37 5.996 1.750 2.346 276 HB2 PHE 37 HB2 PHE 37 3.226 2.695 1.576 277 HB3 PHE 37 HB1 PHE 37 4.355 1.948 0.450 278 HD1 PHE 37 HD2 PHE 37 4.866 -0.418 0.591 279 HD2 PHE 37 HD1 PHE 37 2.118 1.406 3.278 280 HE1 PHE 37 HE2 PHE 37 4.049 -2.640 1.254 281 HE2 PHE 37 HE1 PHE 37 1.296 -0.812 3.949 282 HZ PHE 37 HZ PHE 37 2.269 -2.845 2.925 283 H ALA 38 HN ALA 38 7.578 2.919 1.560 284 HA ALA 38 HA ALA 38 7.695 5.710 1.555 285 HB1 ALA 38 HB1 ALA 38 9.379 3.775 -0.030 286 HB2 ALA 38 HB2 ALA 38 9.678 4.279 1.631 287 HB3 ALA 38 HB3 ALA 38 9.779 5.455 0.321 288 H ALA 39 HN ALA 39 7.204 7.234 0.099 289 HA ALA 39 HA ALA 39 5.416 6.582 -2.011 290 HB1 ALA 39 HB1 ALA 39 5.363 8.967 -2.446 291 HB2 ALA 39 HB2 ALA 39 6.785 9.200 -1.426 292 HB3 ALA 39 HB3 ALA 39 5.268 8.658 -0.710 293 HA PRO 40 HA PRO 40 8.219 6.174 -5.460 294 HB2 PRO 40 HB2 PRO 40 6.523 7.103 -7.409 295 HB3 PRO 40 HB1 PRO 40 6.483 5.455 -6.776 296 HG2 PRO 40 HG2 PRO 40 4.763 7.798 -6.078 297 HG3 PRO 40 HG1 PRO 40 4.306 6.098 -6.296 298 HD2 PRO 40 HD2 PRO 40 4.602 7.197 -3.854 299 HD3 PRO 40 HD1 PRO 40 5.026 5.504 -4.182 300 HA PRO 41 HA PRO 41 10.087 10.149 -5.852 301 HB2 PRO 41 HB2 PRO 41 11.034 9.988 -8.444 302 HB3 PRO 41 HB1 PRO 41 11.831 9.281 -7.036 303 HG2 PRO 41 HG2 PRO 41 10.043 7.990 -9.055 304 HG3 PRO 41 HG1 PRO 41 11.525 7.364 -8.305 305 HD2 PRO 41 HD2 PRO 41 9.102 6.551 -7.498 306 HD3 PRO 41 HD1 PRO 41 10.431 6.780 -6.343 307 H ALA 42 HN ALA 42 7.550 9.184 -7.946 308 HA ALA 42 HA ALA 42 7.295 11.633 -9.402 309 HB1 ALA 42 HB1 ALA 42 6.442 9.511 -10.279 310 HB2 ALA 42 HB2 ALA 42 5.168 10.724 -10.167 311 HB3 ALA 42 HB3 ALA 42 5.271 9.439 -8.964 312 H GLY 43 HN GLY 43 6.117 10.422 -6.341 313 HA2 GLY 43 HA2 GLY 43 5.514 12.044 -4.657 314 HA3 GLY 43 HA1 GLY 43 4.751 12.992 -5.922 315 H LEU 44 HN LEU 44 3.151 12.716 -3.975 316 HA LEU 44 HA LEU 44 1.527 10.292 -4.377 317 HB2 LEU 44 HB2 LEU 44 1.457 12.285 -2.109 318 HB3 LEU 44 HB1 LEU 44 0.405 10.897 -2.258 319 HG LEU 44 HG LEU 44 2.015 10.269 -0.687 320 HD11 LEU 44 HD11 LEU 44 2.890 9.177 -3.352 321 HD12 LEU 44 HD12 LEU 44 1.634 8.524 -2.298 322 HD13 LEU 44 HD13 LEU 44 3.320 8.498 -1.782 323 HD21 LEU 44 HD21 LEU 44 4.110 11.382 -2.545 324 HD22 LEU 44 HD22 LEU 44 4.441 10.516 -1.044 325 HD23 LEU 44 HD23 LEU 44 3.597 12.063 -1.000 326 HA PRO 45 HA PRO 45 -1.778 12.927 -5.925 327 HB2 PRO 45 HB2 PRO 45 -3.584 11.001 -6.318 328 HB3 PRO 45 HB1 PRO 45 -2.152 11.121 -7.352 329 HG2 PRO 45 HG2 PRO 45 -2.724 9.245 -5.105 330 HG3 PRO 45 HG1 PRO 45 -1.873 8.945 -6.631 331 HD2 PRO 45 HD2 PRO 45 -0.669 9.451 -4.156 332 HD3 PRO 45 HD1 PRO 45 0.125 9.557 -5.739 333 H GLN 46 HN GLN 46 -4.300 12.816 -5.401 334 HA GLN 46 HA GLN 46 -4.574 12.593 -2.488 335 HB2 GLN 46 HB2 GLN 46 -6.386 14.218 -2.639 336 HB3 GLN 46 HB1 GLN 46 -4.912 14.870 -3.331 337 HG2 GLN 46 HG2 GLN 46 -7.100 13.655 -4.989 338 HG3 GLN 46 HG1 GLN 46 -7.048 15.363 -4.564 339 HE21 GLN 46 HE21 GLN 46 -5.744 12.861 -6.544 340 HE22 GLN 46 HE22 GLN 46 -4.740 13.877 -7.529 341 H GLY 47 HN GLY 47 -6.445 11.645 -1.632 342 HA2 GLY 47 HA2 GLY 47 -8.611 10.552 -2.040 343 HA3 GLY 47 HA1 GLY 47 -7.931 9.940 -3.543 344 H LEU 48 HN LEU 48 -5.683 9.983 -1.068 345 HA LEU 48 HA LEU 48 -6.184 7.187 -0.352 346 HB2 LEU 48 HB2 LEU 48 -3.581 7.089 -0.361 347 HB3 LEU 48 HB1 LEU 48 -4.475 6.897 -1.849 348 HG LEU 48 HG LEU 48 -3.993 9.244 -2.441 349 HD11 LEU 48 HD11 LEU 48 -3.745 10.165 -0.186 350 HD12 LEU 48 HD12 LEU 48 -2.348 10.522 -1.203 351 HD13 LEU 48 HD13 LEU 48 -2.248 9.249 0.014 352 HD21 LEU 48 HD21 LEU 48 -1.556 7.615 -1.760 353 HD22 LEU 48 HD22 LEU 48 -1.638 8.927 -2.938 354 HD23 LEU 48 HD23 LEU 48 -2.549 7.441 -3.209 355 H LYS 49 HN LYS 49 -7.095 9.031 1.328 356 HA LYS 49 HA LYS 49 -4.933 9.908 3.096 357 HB2 LYS 49 HB2 LYS 49 -6.373 11.562 3.893 358 HB3 LYS 49 HB1 LYS 49 -6.813 11.445 2.196 359 HG2 LYS 49 HG2 LYS 49 -8.675 9.920 2.872 360 HG3 LYS 49 HG1 LYS 49 -8.285 10.294 4.551 361 HD2 LYS 49 HD2 LYS 49 -10.075 11.719 3.881 362 HD3 LYS 49 HD1 LYS 49 -8.616 12.708 4.003 363 HE2 LYS 49 HE2 LYS 49 -9.900 13.247 1.984 364 HE3 LYS 49 HE1 LYS 49 -8.314 12.587 1.587 365 HZ1 LYS 49 HZ1 LYS 49 -10.893 11.111 1.526 366 HZ2 LYS 49 HZ2 LYS 49 -9.379 10.417 1.224 367 HZ3 LYS 49 HZ3 LYS 49 -9.993 11.612 0.181 368 H ALA 50 HN ALA 50 -5.511 9.919 5.479 369 HA ALA 50 HA ALA 50 -5.774 7.378 6.513 370 HB1 ALA 50 HB1 ALA 50 -6.196 8.468 8.657 371 HB2 ALA 50 HB2 ALA 50 -6.558 9.981 7.825 372 HB3 ALA 50 HB3 ALA 50 -4.928 9.308 7.763 373 H GLY 51 HN GLY 51 -7.403 6.012 6.315 374 HA2 GLY 51 HA2 GLY 51 -9.605 5.378 7.044 375 HA3 GLY 51 HA1 GLY 51 -10.132 7.029 6.754 376 H ASP 52 HN ASP 52 -8.236 6.426 4.188 377 HA ASP 52 HA ASP 52 -10.494 5.639 2.531 378 HB2 ASP 52 HB2 ASP 52 -7.765 6.725 1.960 379 HB3 ASP 52 HB1 ASP 52 -8.603 5.823 0.706 380 H ARG 53 HN ARG 53 -10.455 3.887 1.118 381 HA ARG 53 HA ARG 53 -8.535 1.786 1.842 382 HB2 ARG 53 HB2 ARG 53 -11.089 1.414 1.960 383 HB3 ARG 53 HB1 ARG 53 -11.010 1.362 0.202 384 HG2 ARG 53 HG2 ARG 53 -10.835 -0.869 0.814 385 HG3 ARG 53 HG1 ARG 53 -9.163 -0.363 0.531 386 HD2 ARG 53 HD2 ARG 53 -9.233 -1.663 2.536 387 HD3 ARG 53 HD1 ARG 53 -8.900 0.018 2.945 388 HE ARG 53 HE ARG 53 -11.288 0.183 3.600 389 HH11 ARG 53 HH11 ARG 53 -9.781 -2.963 3.366 390 HH12 ARG 53 HH12 ARG 53 -10.797 -3.696 4.574 391 HH21 ARG 53 HH21 ARG 53 -12.660 -0.774 5.184 392 HH22 ARG 53 HH22 ARG 53 -12.438 -2.441 5.607 393 H VAL 54 HN VAL 54 -6.934 1.431 0.417 394 HA VAL 54 HA VAL 54 -7.397 2.269 -2.366 395 HB VAL 54 HB VAL 54 -4.961 2.903 -2.451 396 HG11 VAL 54 HG11 VAL 54 -6.733 4.582 -2.263 397 HG12 VAL 54 HG12 VAL 54 -5.288 5.072 -1.378 398 HG13 VAL 54 HG13 VAL 54 -6.685 4.441 -0.505 399 HG21 VAL 54 HG21 VAL 54 -3.801 3.316 -0.361 400 HG22 VAL 54 HG22 VAL 54 -4.271 1.618 -0.465 401 HG23 VAL 54 HG23 VAL 54 -5.190 2.730 0.556 402 H ALA 55 HN ALA 55 -6.329 1.117 -3.969 403 HA ALA 55 HA ALA 55 -5.254 -1.498 -3.132 404 HB1 ALA 55 HB1 ALA 55 -7.277 -1.642 -4.524 405 HB2 ALA 55 HB2 ALA 55 -5.870 -2.305 -5.356 406 HB3 ALA 55 HB3 ALA 55 -6.472 -0.706 -5.783 407 H PHE 56 HN PHE 56 -3.101 -1.727 -3.389 408 HA PHE 56 HA PHE 56 -1.773 0.117 -5.238 409 HB2 PHE 56 HB2 PHE 56 -0.074 0.608 -3.494 410 HB3 PHE 56 HB1 PHE 56 -1.672 1.222 -3.118 411 HD1 PHE 56 HD1 PHE 56 -2.966 0.293 -1.285 412 HD2 PHE 56 HD2 PHE 56 0.926 -1.176 -2.200 413 HE1 PHE 56 HE1 PHE 56 -2.888 -0.851 0.892 414 HE2 PHE 56 HE2 PHE 56 1.011 -2.315 -0.021 415 HZ PHE 56 HZ PHE 56 -0.872 -2.102 1.552 416 H SER 57 HN SER 57 0.631 -0.349 -5.325 417 HA SER 57 HA SER 57 1.311 -3.133 -4.781 418 HB2 SER 57 HB2 SER 57 0.500 -2.801 -7.214 419 HB3 SER 57 HB1 SER 57 2.001 -1.916 -7.445 420 HG SER 57 HG SER 57 2.239 -4.380 -6.222 421 H PHE 58 HN PHE 58 3.455 -3.410 -4.287 422 HA PHE 58 HA PHE 58 5.138 -1.006 -4.270 423 HB2 PHE 58 HB2 PHE 58 5.725 -1.431 -1.917 424 HB3 PHE 58 HB1 PHE 58 3.996 -1.149 -2.092 425 HD1 PHE 58 HD1 PHE 58 2.457 -3.111 -2.102 426 HD2 PHE 58 HD2 PHE 58 6.537 -3.439 -0.980 427 HE1 PHE 58 HE1 PHE 58 1.944 -5.211 -0.929 428 HE2 PHE 58 HE2 PHE 58 6.046 -5.541 0.199 429 HZ PHE 58 HZ PHE 58 3.857 -6.511 0.107 430 H ARG 59 HN ARG 59 7.390 -1.435 -4.170 431 HA ARG 59 HA ARG 59 8.076 -4.181 -4.960 432 HB2 ARG 59 HB2 ARG 59 9.508 -1.570 -5.426 433 HB3 ARG 59 HB1 ARG 59 10.214 -3.140 -5.785 434 HG2 ARG 59 HG2 ARG 59 8.350 -3.578 -7.341 435 HG3 ARG 59 HG1 ARG 59 7.747 -1.949 -7.027 436 HD2 ARG 59 HD2 ARG 59 10.424 -2.671 -8.215 437 HD3 ARG 59 HD1 ARG 59 9.046 -1.994 -9.079 438 HE ARG 59 HE ARG 59 10.578 -0.558 -7.001 439 HH11 ARG 59 HH11 ARG 59 8.661 -0.603 -9.936 440 HH12 ARG 59 HH12 ARG 59 8.824 1.110 -10.217 441 HH21 ARG 59 HH21 ARG 59 10.802 1.677 -7.363 442 HH22 ARG 59 HH22 ARG 59 10.048 2.409 -8.753 443 H LEU 60 HN LEU 60 9.424 -5.381 -3.799 444 HA LEU 60 HA LEU 60 10.533 -4.184 -1.343 445 HB2 LEU 60 HB2 LEU 60 9.280 -6.795 -1.930 446 HB3 LEU 60 HB1 LEU 60 10.692 -6.849 -0.893 447 HG LEU 60 HG LEU 60 8.134 -6.499 -0.021 448 HD11 LEU 60 HD11 LEU 60 10.632 -5.450 1.288 449 HD12 LEU 60 HD12 LEU 60 10.092 -7.129 1.305 450 HD13 LEU 60 HD13 LEU 60 9.123 -5.883 2.091 451 HD21 LEU 60 HD21 LEU 60 8.116 -4.230 -1.047 452 HD22 LEU 60 HD22 LEU 60 9.412 -3.779 0.061 453 HD23 LEU 60 HD23 LEU 60 7.834 -4.248 0.693 454 H ASP 61 HN ASP 61 12.639 -4.098 -1.116 455 HA ASP 61 HA ASP 61 14.306 -5.650 -2.967 456 HB2 ASP 61 HB2 ASP 61 15.045 -3.372 -1.125 457 HB3 ASP 61 HB1 ASP 61 16.172 -4.212 -2.169 458 HA PRO 62 HA PRO 62 15.691 -8.538 -0.002 459 HB2 PRO 62 HB2 PRO 62 18.533 -8.004 -0.546 460 HB3 PRO 62 HB1 PRO 62 17.578 -9.448 -0.899 461 HG2 PRO 62 HG2 PRO 62 18.414 -7.810 -2.858 462 HG3 PRO 62 HG1 PRO 62 16.838 -8.622 -2.936 463 HD2 PRO 62 HD2 PRO 62 17.474 -5.799 -2.130 464 HD3 PRO 62 HD1 PRO 62 16.181 -6.386 -3.195 465 H HIS 63 HN HIS 63 16.584 -5.325 0.302 466 HA HIS 63 HA HIS 63 17.986 -5.586 2.827 467 HB2 HIS 63 HB2 HIS 63 17.091 -3.234 1.173 468 HB3 HIS 63 HB1 HIS 63 17.740 -3.039 2.791 469 HD1 HIS 63 HD1 HIS 63 20.280 -3.342 3.088 470 HD2 HIS 63 HD2 HIS 63 18.950 -4.020 -0.790 471 HE1 HIS 63 HE1 HIS 63 22.353 -3.454 1.673 472 HE2 HIS 63 HE2 HIS 63 21.511 -3.675 -0.696 473 H GLY 64 HN GLY 64 14.818 -5.581 1.775 474 HA2 GLY 64 HA2 GLY 64 12.916 -5.778 3.163 475 HA3 GLY 64 HA1 GLY 64 13.827 -5.032 4.474 476 H MET 65 HN MET 65 14.104 -3.584 1.417 477 HA MET 65 HA MET 65 12.952 -1.134 2.339 478 HB2 MET 65 HB2 MET 65 14.003 -1.964 -0.374 479 HB3 MET 65 HB1 MET 65 13.517 -0.328 0.044 480 HG2 MET 65 HG2 MET 65 15.293 -0.107 1.597 481 HG3 MET 65 HG1 MET 65 15.670 -1.825 1.509 482 HE1 MET 65 HE1 MET 65 15.639 1.574 -0.493 483 HE2 MET 65 HE2 MET 65 14.751 0.467 -1.541 484 HE3 MET 65 HE3 MET 65 16.337 1.067 -2.030 485 H ALA 66 HN ALA 66 10.868 -0.668 2.272 486 HA ALA 66 HA ALA 66 9.158 -2.170 0.426 487 HB1 ALA 66 HB1 ALA 66 8.423 -0.745 2.991 488 HB2 ALA 66 HB2 ALA 66 8.601 -2.486 2.786 489 HB3 ALA 66 HB3 ALA 66 7.305 -1.629 1.953 490 H THR 67 HN THR 67 9.053 -0.994 -1.375 491 HA THR 67 HA THR 67 8.743 1.923 -1.109 492 HB THR 67 HB THR 67 9.655 0.656 -3.657 493 HG1 THR 67 HG1 THR 67 11.010 -0.288 -2.078 494 HG21 THR 67 HG21 THR 67 9.210 3.065 -3.530 495 HG22 THR 67 HG22 THR 67 10.920 2.741 -3.824 496 HG23 THR 67 HG23 THR 67 10.373 3.205 -2.211 497 H LEU 68 HN LEU 68 6.833 2.725 -1.677 498 HA LEU 68 HA LEU 68 4.846 1.082 -2.919 499 HB2 LEU 68 HB2 LEU 68 4.332 2.801 -1.198 500 HB3 LEU 68 HB1 LEU 68 4.799 4.045 -2.341 501 HG LEU 68 HG LEU 68 2.950 3.379 -3.820 502 HD11 LEU 68 HD11 LEU 68 1.250 1.817 -3.009 503 HD12 LEU 68 HD12 LEU 68 2.250 1.462 -1.599 504 HD13 LEU 68 HD13 LEU 68 2.815 1.026 -3.213 505 HD21 LEU 68 HD21 LEU 68 2.629 5.138 -2.146 506 HD22 LEU 68 HD22 LEU 68 2.093 3.929 -0.981 507 HD23 LEU 68 HD23 LEU 68 1.143 4.237 -2.432 508 H VAL 69 HN VAL 69 4.277 0.998 -5.026 509 HA VAL 69 HA VAL 69 5.884 2.618 -6.875 510 HB VAL 69 HB VAL 69 4.295 0.129 -7.493 511 HG11 VAL 69 HG11 VAL 69 5.707 0.052 -9.498 512 HG12 VAL 69 HG12 VAL 69 6.442 1.584 -9.023 513 HG13 VAL 69 HG13 VAL 69 4.726 1.517 -9.424 514 HG21 VAL 69 HG21 VAL 69 7.241 0.380 -6.910 515 HG22 VAL 69 HG22 VAL 69 6.406 -1.085 -7.430 516 HG23 VAL 69 HG23 VAL 69 6.042 -0.372 -5.858 517 H THR 70 HN THR 70 2.609 1.281 -6.585 518 HA THR 70 HA THR 70 1.512 3.746 -7.694 519 HB THR 70 HB THR 70 -0.085 2.225 -9.067 520 HG1 THR 70 HG1 THR 70 1.988 0.487 -9.529 521 HG21 THR 70 HG21 THR 70 2.778 2.619 -9.939 522 HG22 THR 70 HG22 THR 70 1.479 3.805 -10.075 523 HG23 THR 70 HG23 THR 70 1.409 2.311 -11.010 524 H VAL 71 HN VAL 71 -0.573 4.195 -6.978 525 HA VAL 71 HA VAL 71 -1.995 2.134 -5.487 526 HB VAL 71 HB VAL 71 -0.690 3.336 -3.774 527 HG11 VAL 71 HG11 VAL 71 -0.499 5.500 -4.898 528 HG12 VAL 71 HG12 VAL 71 -1.132 5.664 -3.260 529 HG13 VAL 71 HG13 VAL 71 -2.223 5.775 -4.636 530 HG21 VAL 71 HG21 VAL 71 -3.667 3.787 -3.721 531 HG22 VAL 71 HG22 VAL 71 -2.615 4.037 -2.328 532 HG23 VAL 71 HG23 VAL 71 -2.765 2.430 -3.043 533 H ALA 72 HN ALA 72 -4.126 2.187 -5.873 534 HA ALA 72 HA ALA 72 -5.229 4.606 -7.153 535 HB1 ALA 72 HB1 ALA 72 -5.063 2.763 -8.746 536 HB2 ALA 72 HB2 ALA 72 -6.751 3.136 -8.395 537 HB3 ALA 72 HB3 ALA 72 -5.987 1.727 -7.659 538 HA PRO 73 HA PRO 73 -8.071 4.738 -3.750 539 HB2 PRO 73 HB2 PRO 73 -10.088 6.123 -4.975 540 HB3 PRO 73 HB1 PRO 73 -8.622 6.877 -4.341 541 HG2 PRO 73 HG2 PRO 73 -9.293 6.103 -7.149 542 HG3 PRO 73 HG1 PRO 73 -8.482 7.562 -6.551 543 HD2 PRO 73 HD2 PRO 73 -7.121 5.513 -7.652 544 HD3 PRO 73 HD1 PRO 73 -6.446 6.495 -6.336 545 H GLN 74 HN GLN 74 -9.109 2.968 -3.167 546 HA GLN 74 HA GLN 74 -10.945 1.716 -5.094 547 HB2 GLN 74 HB2 GLN 74 -10.253 -0.362 -4.500 548 HB3 GLN 74 HB1 GLN 74 -8.778 0.491 -4.067 549 HG2 GLN 74 HG2 GLN 74 -9.325 0.467 -1.781 550 HG3 GLN 74 HG1 GLN 74 -10.986 0.001 -2.101 551 HE21 GLN 74 HE21 GLN 74 -7.718 -1.095 -1.817 552 HE22 GLN 74 HE22 GLN 74 -8.085 -2.779 -1.857 553 H VAL 75 HN VAL 75 -12.490 0.195 -3.699 554 HA VAL 75 HA VAL 75 -13.407 1.454 -1.297 555 HB VAL 75 HB VAL 75 -14.388 3.054 -2.772 556 HG11 VAL 75 HG11 VAL 75 -15.963 2.446 -4.563 557 HG12 VAL 75 HG12 VAL 75 -15.577 0.746 -4.296 558 HG13 VAL 75 HG13 VAL 75 -14.327 1.855 -4.860 559 HG21 VAL 75 HG21 VAL 75 -16.787 2.772 -2.307 560 HG22 VAL 75 HG22 VAL 75 -15.778 2.413 -0.906 561 HG23 VAL 75 HG23 VAL 75 -16.482 1.097 -1.845 562 H GLN 76 HN GLN 76 -13.078 -0.600 -0.474 563 HA GLN 76 HA GLN 76 -13.746 -2.624 0.282 564 HB2 GLN 76 HB2 GLN 76 -15.804 -1.348 0.719 565 HB3 GLN 76 HB1 GLN 76 -16.389 -1.725 -0.891 566 HG2 GLN 76 HG2 GLN 76 -17.455 -3.074 0.814 567 HG3 GLN 76 HG1 GLN 76 -16.542 -4.053 -0.328 568 HE21 GLN 76 HE21 GLN 76 -14.748 -5.149 0.350 569 HE22 GLN 76 HE22 GLN 76 -14.371 -5.381 2.025 570 H THR 77 HN THR 77 -12.466 -2.564 -2.210 571 HA THR 77 HA THR 77 -12.038 -3.750 -4.095 572 HB THR 77 HB THR 77 -13.668 -5.954 -2.854 573 HG1 THR 77 HG1 THR 77 -11.688 -6.532 -1.796 574 HG21 THR 77 HG21 THR 77 -12.040 -7.406 -3.999 575 HG22 THR 77 HG22 THR 77 -11.263 -5.977 -4.679 576 HG23 THR 77 HG23 THR 77 -12.919 -6.379 -5.133 577 H ALA 78 HN ALA 78 -13.430 -2.248 -5.211 578 HA ALA 78 HA ALA 78 -16.077 -3.233 -5.954 579 HB1 ALA 78 HB1 ALA 78 -14.717 -0.607 -6.545 580 HB2 ALA 78 HB2 ALA 78 -15.907 -0.903 -5.275 581 HB3 ALA 78 HB3 ALA 78 -16.378 -1.021 -6.971 582 H GLY 79 HN GLY 79 -16.240 -4.494 -7.662 583 HA2 GLY 79 HA2 GLY 79 -14.354 -4.098 -9.905 584 HA3 GLY 79 HA1 GLY 79 -15.182 -5.607 -9.543 585 H ALA 80 HN ALA 80 -16.512 -6.006 -11.181 586 HA ALA 80 HA ALA 80 -18.519 -3.971 -11.833 587 HB1 ALA 80 HB1 ALA 80 -18.289 -4.413 -14.237 588 HB2 ALA 80 HB2 ALA 80 -16.909 -5.461 -13.907 589 HB3 ALA 80 HB3 ALA 80 -16.810 -3.734 -13.554 590 H LYS 81 HN LYS 81 -20.226 -5.046 -10.992 591 HA LYS 81 HA LYS 81 -20.621 -7.839 -11.834 592 HB2 LYS 81 HB2 LYS 81 -20.560 -7.393 -9.374 593 HB3 LYS 81 HB1 LYS 81 -21.983 -6.379 -9.568 594 HG2 LYS 81 HG2 LYS 81 -23.146 -8.396 -10.539 595 HG3 LYS 81 HG1 LYS 81 -21.760 -9.346 -10.005 596 HD2 LYS 81 HD2 LYS 81 -23.518 -9.487 -8.360 597 HD3 LYS 81 HD1 LYS 81 -22.167 -8.568 -7.693 598 HE2 LYS 81 HE2 LYS 81 -23.308 -6.502 -8.037 599 HE3 LYS 81 HE1 LYS 81 -24.577 -7.293 -8.971 600 HZ1 LYS 81 HZ1 LYS 81 -25.286 -8.452 -6.996 601 HZ2 LYS 81 HZ2 LYS 81 -25.281 -6.780 -6.711 602 HZ3 LYS 81 HZ3 LYS 81 -24.034 -7.753 -6.085 603 HA PRO 82 HA PRO 82 -23.989 -6.236 -14.284 604 HB2 PRO 82 HB2 PRO 82 -24.626 -8.959 -14.992 605 HB3 PRO 82 HB1 PRO 82 -23.873 -7.712 -15.990 606 HG2 PRO 82 HG2 PRO 82 -22.577 -9.966 -15.107 607 HG3 PRO 82 HG1 PRO 82 -21.764 -8.453 -15.541 608 HD2 PRO 82 HD2 PRO 82 -22.465 -9.527 -12.837 609 HD3 PRO 82 HD1 PRO 82 -21.014 -8.645 -13.361 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 13.559 -5.014 -5.819 2 H2 GLY 1 HT2 GLY 1 14.237 -5.638 -7.240 3 H3 GLY 1 HT3 GLY 1 14.981 -5.936 -5.746 4 HA2 GLY 1 HA1 GLY 1 13.806 -7.891 -6.479 5 HA3 GLY 1 HA2 GLY 1 13.081 -7.228 -5.022 6 HA PRO 2 HA PRO 2 9.843 -7.783 -8.327 7 HB2 PRO 2 HB2 PRO 2 8.222 -9.479 -7.009 8 HB3 PRO 2 HB1 PRO 2 9.641 -10.036 -7.905 9 HG2 PRO 2 HG2 PRO 2 9.297 -9.617 -4.965 10 HG3 PRO 2 HG1 PRO 2 10.135 -10.922 -5.824 11 HD2 PRO 2 HD2 PRO 2 11.399 -8.768 -4.679 12 HD3 PRO 2 HD1 PRO 2 12.059 -9.703 -6.034 13 H GLU 3 HN GLU 3 7.704 -7.061 -8.395 14 HA GLU 3 HA GLU 3 6.933 -5.282 -6.203 15 HB2 GLU 3 HB2 GLU 3 7.002 -4.210 -8.344 16 HB3 GLU 3 HB1 GLU 3 6.085 -5.503 -9.097 17 HG2 GLU 3 HG2 GLU 3 4.712 -4.110 -6.904 18 HG3 GLU 3 HG1 GLU 3 5.055 -3.131 -8.328 19 H HIS 4 HN HIS 4 5.004 -5.513 -5.103 20 HA HIS 4 HA HIS 4 3.452 -7.944 -5.719 21 HB2 HIS 4 HB2 HIS 4 4.063 -6.956 -2.929 22 HB3 HIS 4 HB1 HIS 4 3.243 -8.447 -3.367 23 HD1 HIS 4 HD1 HIS 4 4.735 -10.438 -4.149 24 HD2 HIS 4 HD2 HIS 4 6.851 -7.025 -3.065 25 HE1 HIS 4 HE1 HIS 4 7.133 -11.160 -3.949 26 HE2 HIS 4 HE2 HIS 4 8.346 -9.139 -3.060 27 H ARG 5 HN ARG 5 1.262 -7.784 -5.491 28 HA ARG 5 HA ARG 5 0.189 -5.102 -5.360 29 HB2 ARG 5 HB2 ARG 5 -1.065 -7.783 -5.958 30 HB3 ARG 5 HB1 ARG 5 -1.974 -6.274 -5.918 31 HG2 ARG 5 HG2 ARG 5 0.377 -6.827 -7.716 32 HG3 ARG 5 HG1 ARG 5 -1.319 -6.932 -8.196 33 HD2 ARG 5 HD2 ARG 5 -1.596 -4.683 -8.215 34 HD3 ARG 5 HD1 ARG 5 -0.452 -4.424 -6.898 35 HE ARG 5 HE ARG 5 1.301 -4.968 -8.672 36 HH11 ARG 5 HH11 ARG 5 -1.773 -3.407 -9.352 37 HH12 ARG 5 HH12 ARG 5 -1.159 -2.509 -10.708 38 HH21 ARG 5 HH21 ARG 5 2.123 -3.755 -10.424 39 HH22 ARG 5 HH22 ARG 5 1.065 -2.676 -11.301 40 H ALA 6 HN ALA 6 -0.889 -4.223 -3.701 41 HA ALA 6 HA ALA 6 -1.579 -5.942 -1.425 42 HB1 ALA 6 HB1 ALA 6 0.690 -5.104 -1.055 43 HB2 ALA 6 HB2 ALA 6 -0.452 -4.454 0.123 44 HB3 ALA 6 HB3 ALA 6 0.100 -3.448 -1.219 45 H VAL 7 HN VAL 7 -3.525 -5.475 -0.665 46 HA VAL 7 HA VAL 7 -4.600 -2.774 -1.104 47 HB VAL 7 HB VAL 7 -6.840 -3.751 -0.749 48 HG11 VAL 7 HG11 VAL 7 -5.241 -5.116 -2.909 49 HG12 VAL 7 HG12 VAL 7 -5.931 -3.493 -3.001 50 HG13 VAL 7 HG13 VAL 7 -6.992 -4.898 -2.890 51 HG21 VAL 7 HG21 VAL 7 -5.359 -6.381 -0.679 52 HG22 VAL 7 HG22 VAL 7 -7.110 -6.204 -0.798 53 HG23 VAL 7 HG23 VAL 7 -6.264 -5.649 0.646 54 H GLY 8 HN GLY 8 -5.716 -1.736 0.611 55 HA2 GLY 8 HA2 GLY 8 -5.989 -2.803 3.196 56 HA3 GLY 8 HA1 GLY 8 -4.462 -1.939 3.106 57 H ARG 9 HN ARG 9 -5.409 -0.594 4.755 58 HA ARG 9 HA ARG 9 -7.185 1.470 3.622 59 HB2 ARG 9 HB2 ARG 9 -8.289 -0.045 5.322 60 HB3 ARG 9 HB1 ARG 9 -7.152 0.576 6.511 61 HG2 ARG 9 HG2 ARG 9 -8.029 2.854 6.088 62 HG3 ARG 9 HG1 ARG 9 -9.238 2.145 5.014 63 HD2 ARG 9 HD2 ARG 9 -10.311 2.420 7.095 64 HD3 ARG 9 HD1 ARG 9 -9.931 0.702 6.974 65 HE ARG 9 HE ARG 9 -8.516 2.666 8.654 66 HH11 ARG 9 HH11 ARG 9 -9.313 -0.658 7.861 67 HH12 ARG 9 HH12 ARG 9 -8.551 -1.305 9.279 68 HH21 ARG 9 HH21 ARG 9 -7.498 1.811 10.507 69 HH22 ARG 9 HH22 ARG 9 -7.503 0.084 10.773 70 H ILE 10 HN ILE 10 -6.499 3.531 3.884 71 HA ILE 10 HA ILE 10 -3.787 3.956 4.560 72 HB ILE 10 HB ILE 10 -5.933 6.066 4.334 73 HG12 ILE 10 HG12 ILE 10 -5.921 4.674 2.330 74 HG13 ILE 10 HG11 ILE 10 -5.236 6.257 1.973 75 HG21 ILE 10 HG21 ILE 10 -3.865 6.852 5.344 76 HG22 ILE 10 HG22 ILE 10 -4.062 7.529 3.726 77 HG23 ILE 10 HG23 ILE 10 -2.941 6.194 3.993 78 HD11 ILE 10 HD11 ILE 10 -3.967 4.510 0.898 79 HD12 ILE 10 HD12 ILE 10 -3.699 3.717 2.451 80 HD13 ILE 10 HD13 ILE 10 -2.990 5.303 2.134 81 H GLN 11 HN GLN 11 -2.872 4.263 6.455 82 HA GLN 11 HA GLN 11 -4.543 4.554 8.811 83 HB2 GLN 11 HB2 GLN 11 -2.677 2.885 8.704 84 HB3 GLN 11 HB1 GLN 11 -1.542 4.220 8.586 85 HG2 GLN 11 HG2 GLN 11 -1.524 3.461 10.816 86 HG3 GLN 11 HG1 GLN 11 -2.358 5.013 10.797 87 HE21 GLN 11 HE21 GLN 11 -3.781 2.009 9.730 88 HE22 GLN 11 HE22 GLN 11 -4.934 1.879 11.005 89 H SER 12 HN SER 12 -1.669 6.127 7.430 90 HA SER 12 HA SER 12 -2.761 8.741 7.898 91 HB2 SER 12 HB2 SER 12 -0.189 8.016 9.324 92 HB3 SER 12 HB1 SER 12 -1.002 9.583 9.326 93 HG SER 12 HG SER 12 -2.798 7.871 10.143 94 H ILE 13 HN ILE 13 -1.330 10.422 6.961 95 HA ILE 13 HA ILE 13 0.213 9.228 4.748 96 HB ILE 13 HB ILE 13 -1.276 11.856 4.804 97 HG12 ILE 13 HG12 ILE 13 -1.827 9.296 3.292 98 HG13 ILE 13 HG11 ILE 13 -2.729 9.876 4.690 99 HG21 ILE 13 HG21 ILE 13 -0.743 11.987 2.406 100 HG22 ILE 13 HG22 ILE 13 0.258 10.542 2.557 101 HG23 ILE 13 HG23 ILE 13 0.712 12.023 3.402 102 HD11 ILE 13 HD11 ILE 13 -3.430 11.839 3.421 103 HD12 ILE 13 HD12 ILE 13 -3.911 10.340 2.623 104 HD13 ILE 13 HD13 ILE 13 -2.525 11.254 2.025 105 H GLY 14 HN GLY 14 2.165 9.988 4.218 106 HA2 GLY 14 HA2 GLY 14 3.199 12.358 5.615 107 HA3 GLY 14 HA1 GLY 14 4.179 10.902 5.463 108 H GLU 15 HN GLU 15 4.992 13.367 4.452 109 HA GLU 15 HA GLU 15 4.287 13.865 1.794 110 HB2 GLU 15 HB2 GLU 15 6.819 14.503 3.300 111 HB3 GLU 15 HB1 GLU 15 6.484 15.087 1.676 112 HG2 GLU 15 HG2 GLU 15 5.860 16.862 3.011 113 HG3 GLU 15 HG1 GLU 15 4.335 16.044 2.695 114 H ARG 16 HN ARG 16 6.854 11.818 3.134 115 HA ARG 16 HA ARG 16 7.334 10.902 0.382 116 HB2 ARG 16 HB2 ARG 16 9.746 10.411 1.445 117 HB3 ARG 16 HB1 ARG 16 9.340 11.900 0.611 118 HG2 ARG 16 HG2 ARG 16 10.497 12.492 2.591 119 HG3 ARG 16 HG1 ARG 16 8.799 12.905 2.835 120 HD2 ARG 16 HD2 ARG 16 9.812 11.858 4.813 121 HD3 ARG 16 HD1 ARG 16 8.466 10.925 4.166 122 HE ARG 16 HE ARG 16 10.514 9.695 3.004 123 HH11 ARG 16 HH11 ARG 16 10.176 10.836 6.293 124 HH12 ARG 16 HH12 ARG 16 11.069 9.512 6.983 125 HH21 ARG 16 HH21 ARG 16 11.709 7.962 3.890 126 HH22 ARG 16 HH22 ARG 16 11.973 7.888 5.608 127 H SER 17 HN SER 17 6.323 10.003 3.402 128 HA SER 17 HA SER 17 6.144 7.291 2.490 129 HB2 SER 17 HB2 SER 17 7.034 6.395 4.712 130 HB3 SER 17 HB1 SER 17 8.224 6.956 3.550 131 HG SER 17 HG SER 17 7.837 7.770 6.041 132 H LEU 18 HN LEU 18 4.501 6.162 3.512 133 HA LEU 18 HA LEU 18 3.056 7.528 5.630 134 HB2 LEU 18 HB2 LEU 18 0.897 7.166 4.234 135 HB3 LEU 18 HB1 LEU 18 1.887 8.587 3.977 136 HG LEU 18 HG LEU 18 2.968 7.178 2.072 137 HD11 LEU 18 HD11 LEU 18 0.316 5.788 2.407 138 HD12 LEU 18 HD12 LEU 18 1.912 5.063 2.620 139 HD13 LEU 18 HD13 LEU 18 1.399 5.619 1.025 140 HD21 LEU 18 HD21 LEU 18 0.187 8.316 1.888 141 HD22 LEU 18 HD22 LEU 18 1.267 8.021 0.524 142 HD23 LEU 18 HD23 LEU 18 1.699 9.218 1.748 143 H ILE 19 HN ILE 19 1.453 6.250 6.653 144 HA ILE 19 HA ILE 19 2.261 3.438 6.584 145 HB ILE 19 HB ILE 19 0.601 4.711 8.748 146 HG12 ILE 19 HG12 ILE 19 3.626 4.600 8.640 147 HG13 ILE 19 HG11 ILE 19 2.674 6.059 8.404 148 HG21 ILE 19 HG21 ILE 19 2.453 2.329 8.628 149 HG22 ILE 19 HG22 ILE 19 0.696 2.307 8.795 150 HG23 ILE 19 HG23 ILE 19 1.698 2.929 10.106 151 HD11 ILE 19 HD11 ILE 19 3.560 5.981 10.643 152 HD12 ILE 19 HD12 ILE 19 2.815 4.406 10.911 153 HD13 ILE 19 HD13 ILE 19 1.803 5.833 10.685 154 H ILE 20 HN ILE 20 0.920 1.896 5.967 155 HA ILE 20 HA ILE 20 -1.945 2.528 5.720 156 HB ILE 20 HB ILE 20 -0.289 0.938 3.749 157 HG12 ILE 20 HG12 ILE 20 -1.724 3.571 3.356 158 HG13 ILE 20 HG11 ILE 20 0.003 3.424 3.657 159 HG21 ILE 20 HG21 ILE 20 -2.541 0.037 4.018 160 HG22 ILE 20 HG22 ILE 20 -2.342 0.789 2.435 161 HG23 ILE 20 HG23 ILE 20 -3.224 1.633 3.709 162 HD11 ILE 20 HD11 ILE 20 -1.484 2.299 1.294 163 HD12 ILE 20 HD12 ILE 20 0.247 2.147 1.590 164 HD13 ILE 20 HD13 ILE 20 -0.460 3.734 1.297 165 H ALA 21 HN ALA 21 -3.110 1.207 6.936 166 HA ALA 21 HA ALA 21 -2.144 -1.292 7.928 167 HB1 ALA 21 HB1 ALA 21 -3.815 -0.034 9.172 168 HB2 ALA 21 HB2 ALA 21 -4.450 -1.619 8.729 169 HB3 ALA 21 HB3 ALA 21 -4.950 -0.186 7.832 170 H HIS 22 HN HIS 22 -1.534 -2.535 6.182 171 HA HIS 22 HA HIS 22 -3.485 -3.029 4.078 172 HB2 HIS 22 HB2 HIS 22 -1.673 -4.156 2.877 173 HB3 HIS 22 HB1 HIS 22 -1.170 -2.548 3.382 174 HD1 HIS 22 HD1 HIS 22 -0.769 -6.169 4.498 175 HD2 HIS 22 HD2 HIS 22 1.182 -2.500 4.740 176 HE1 HIS 22 HE1 HIS 22 1.444 -6.646 5.594 177 HE2 HIS 22 HE2 HIS 22 2.650 -4.437 5.636 178 H GLU 23 HN GLU 23 -4.169 -5.091 3.508 179 HA GLU 23 HA GLU 23 -4.487 -6.865 5.744 180 HB2 GLU 23 HB2 GLU 23 -5.425 -7.079 2.878 181 HB3 GLU 23 HB1 GLU 23 -5.897 -8.168 4.180 182 HG2 GLU 23 HG2 GLU 23 -6.803 -6.211 5.408 183 HG3 GLU 23 HG1 GLU 23 -6.455 -5.222 3.993 184 H ALA 24 HN ALA 24 -4.556 -9.325 4.276 185 HA ALA 24 HA ALA 24 -2.071 -10.275 4.994 186 HB1 ALA 24 HB1 ALA 24 -4.098 -11.648 4.723 187 HB2 ALA 24 HB2 ALA 24 -2.670 -12.351 3.964 188 HB3 ALA 24 HB3 ALA 24 -3.893 -11.548 2.975 189 H ILE 25 HN ILE 25 -3.147 -9.410 1.756 190 HA ILE 25 HA ILE 25 -1.978 -8.963 -0.157 191 HB ILE 25 HB ILE 25 0.533 -9.122 1.526 192 HG12 ILE 25 HG12 ILE 25 -1.156 -6.718 0.802 193 HG13 ILE 25 HG11 ILE 25 -0.982 -7.414 2.407 194 HG21 ILE 25 HG21 ILE 25 1.515 -7.755 -0.266 195 HG22 ILE 25 HG22 ILE 25 0.006 -7.880 -1.172 196 HG23 ILE 25 HG23 ILE 25 0.963 -9.326 -0.849 197 HD11 ILE 25 HD11 ILE 25 1.229 -6.171 0.793 198 HD12 ILE 25 HD12 ILE 25 1.376 -6.836 2.419 199 HD13 ILE 25 HD13 ILE 25 0.377 -5.411 2.136 200 HA PRO 26 HA PRO 26 -1.363 -13.494 -0.570 201 HB2 PRO 26 HB2 PRO 26 -2.439 -12.922 -3.262 202 HB3 PRO 26 HB1 PRO 26 -2.988 -14.092 -2.060 203 HG2 PRO 26 HG2 PRO 26 -4.394 -11.875 -2.602 204 HG3 PRO 26 HG1 PRO 26 -4.312 -12.547 -0.964 205 HD2 PRO 26 HD2 PRO 26 -2.850 -10.209 -2.128 206 HD3 PRO 26 HD1 PRO 26 -3.573 -10.397 -0.515 207 H SER 27 HN SER 27 -0.527 -10.843 -2.697 208 HA SER 27 HA SER 27 1.162 -12.278 -4.451 209 HB2 SER 27 HB2 SER 27 1.312 -9.326 -3.825 210 HB3 SER 27 HB1 SER 27 1.764 -10.136 -5.327 211 HG SER 27 HG SER 27 -0.252 -10.121 -5.942 212 H ALA 28 HN ALA 28 1.657 -11.159 -1.231 213 HA ALA 28 HA ALA 28 4.573 -11.441 -1.585 214 HB1 ALA 28 HB1 ALA 28 4.877 -9.873 0.260 215 HB2 ALA 28 HB2 ALA 28 3.128 -9.699 0.406 216 HB3 ALA 28 HB3 ALA 28 3.950 -9.145 -1.052 217 H GLN 29 HN GLN 29 1.876 -12.842 -0.282 218 HA GLN 29 HA GLN 29 1.487 -14.512 1.198 219 HB2 GLN 29 HB2 GLN 29 4.486 -14.791 1.102 220 HB3 GLN 29 HB1 GLN 29 3.437 -15.900 1.962 221 HG2 GLN 29 HG2 GLN 29 3.809 -17.013 -0.006 222 HG3 GLN 29 HG1 GLN 29 2.286 -16.196 -0.342 223 HE21 GLN 29 HE21 GLN 29 2.208 -14.642 -1.916 224 HE22 GLN 29 HE22 GLN 29 3.542 -14.290 -2.959 225 H TRP 30 HN TRP 30 1.702 -11.837 2.160 226 HA TRP 30 HA TRP 30 2.977 -12.076 4.776 227 HB2 TRP 30 HB2 TRP 30 1.595 -9.765 3.397 228 HB3 TRP 30 HB1 TRP 30 2.160 -9.688 5.060 229 HD1 TRP 30 HD1 TRP 30 4.663 -11.606 3.183 230 HE1 TRP 30 HE1 TRP 30 6.655 -10.109 2.493 231 HE3 TRP 30 HE3 TRP 30 2.602 -7.020 4.095 232 HZ2 TRP 30 HZ2 TRP 30 7.262 -7.376 2.369 233 HZ3 TRP 30 HZ3 TRP 30 3.958 -5.014 3.663 234 HH2 TRP 30 HH2 TRP 30 6.240 -5.189 2.818 235 H GLY 31 HN GLY 31 1.520 -11.081 6.640 236 HA2 GLY 31 HA2 GLY 31 -1.136 -12.356 6.403 237 HA3 GLY 31 HA1 GLY 31 -0.116 -12.617 7.804 238 H ALA 32 HN ALA 32 -0.787 -9.603 6.068 239 HA ALA 32 HA ALA 32 -1.902 -7.702 6.599 240 HB1 ALA 32 HB1 ALA 32 -3.835 -7.787 8.024 241 HB2 ALA 32 HB2 ALA 32 -3.313 -9.330 8.701 242 HB3 ALA 32 HB3 ALA 32 -3.790 -9.227 7.005 243 H MET 33 HN MET 33 -1.006 -6.003 7.511 244 HA MET 33 HA MET 33 -0.718 -5.659 10.282 245 HB2 MET 33 HB2 MET 33 1.815 -5.492 10.312 246 HB3 MET 33 HB1 MET 33 1.141 -7.112 10.293 247 HG2 MET 33 HG2 MET 33 1.555 -7.213 7.861 248 HG3 MET 33 HG1 MET 33 2.328 -5.632 7.959 249 HE1 MET 33 HE1 MET 33 5.247 -8.289 7.416 250 HE2 MET 33 HE2 MET 33 4.378 -6.935 6.690 251 HE3 MET 33 HE3 MET 33 3.588 -8.506 6.856 252 H THR 34 HN THR 34 -0.235 -3.572 10.847 253 HA THR 34 HA THR 34 -0.578 -1.626 8.772 254 HB THR 34 HB THR 34 0.147 -1.104 11.658 255 HG1 THR 34 HG1 THR 34 -1.793 -1.760 12.178 256 HG21 THR 34 HG21 THR 34 -1.407 0.533 9.650 257 HG22 THR 34 HG22 THR 34 0.261 0.830 10.139 258 HG23 THR 34 HG23 THR 34 -1.045 0.995 11.312 259 H MET 35 HN MET 35 1.079 -1.197 7.448 260 HA MET 35 HA MET 35 3.741 -0.809 8.649 261 HB2 MET 35 HB2 MET 35 3.008 -2.250 6.123 262 HB3 MET 35 HB1 MET 35 4.625 -1.612 6.393 263 HG2 MET 35 HG2 MET 35 4.865 -2.989 8.363 264 HG3 MET 35 HG1 MET 35 3.225 -3.588 8.158 265 HE1 MET 35 HE1 MET 35 5.812 -2.761 5.413 266 HE2 MET 35 HE2 MET 35 6.581 -4.320 5.105 267 HE3 MET 35 HE3 MET 35 6.853 -3.492 6.639 268 H GLU 36 HN GLU 36 5.221 0.402 7.272 269 HA GLU 36 HA GLU 36 3.816 2.708 6.104 270 HB2 GLU 36 HB2 GLU 36 5.265 3.107 8.079 271 HB3 GLU 36 HB1 GLU 36 6.640 2.500 7.166 272 HG2 GLU 36 HG2 GLU 36 6.433 4.333 5.591 273 HG3 GLU 36 HG1 GLU 36 5.005 4.923 6.443 274 H PHE 37 HN PHE 37 4.253 3.384 4.049 275 HA PHE 37 HA PHE 37 6.197 1.792 2.502 276 HB2 PHE 37 HB2 PHE 37 3.545 2.929 1.563 277 HB3 PHE 37 HB1 PHE 37 4.734 2.158 0.516 278 HD1 PHE 37 HD1 PHE 37 2.258 1.621 3.169 279 HD2 PHE 37 HD2 PHE 37 5.044 -0.221 0.530 280 HE1 PHE 37 HE1 PHE 37 1.271 -0.577 3.663 281 HE2 PHE 37 HE2 PHE 37 4.057 -2.419 1.019 282 HZ PHE 37 HZ PHE 37 2.169 -2.599 2.586 283 H ALA 38 HN ALA 38 7.636 2.872 1.282 284 HA ALA 38 HA ALA 38 7.880 5.715 1.682 285 HB1 ALA 38 HB1 ALA 38 9.853 4.241 1.680 286 HB2 ALA 38 HB2 ALA 38 9.971 5.513 0.463 287 HB3 ALA 38 HB3 ALA 38 9.554 3.867 -0.017 288 H ALA 39 HN ALA 39 7.468 7.312 0.250 289 HA ALA 39 HA ALA 39 5.961 6.563 -2.141 290 HB1 ALA 39 HB1 ALA 39 6.282 9.240 -0.783 291 HB2 ALA 39 HB2 ALA 39 4.905 8.152 -0.619 292 HB3 ALA 39 HB3 ALA 39 5.244 8.917 -2.173 293 HA PRO 40 HA PRO 40 9.273 7.742 -4.903 294 HB2 PRO 40 HB2 PRO 40 7.092 8.513 -6.740 295 HB3 PRO 40 HB1 PRO 40 8.379 7.327 -6.968 296 HG2 PRO 40 HG2 PRO 40 5.835 6.578 -6.571 297 HG3 PRO 40 HG1 PRO 40 7.194 5.647 -5.913 298 HD2 PRO 40 HD2 PRO 40 5.365 7.569 -4.529 299 HD3 PRO 40 HD1 PRO 40 6.018 6.020 -3.953 300 HA PRO 41 HA PRO 41 9.621 12.087 -4.299 301 HB2 PRO 41 HB2 PRO 41 11.097 12.789 -6.508 302 HB3 PRO 41 HB1 PRO 41 11.765 12.033 -5.057 303 HG2 PRO 41 HG2 PRO 41 10.991 10.787 -7.663 304 HG3 PRO 41 HG1 PRO 41 12.410 10.472 -6.648 305 HD2 PRO 41 HD2 PRO 41 10.297 8.821 -6.656 306 HD3 PRO 41 HD1 PRO 41 11.222 9.143 -5.174 307 H ALA 42 HN ALA 42 7.797 10.830 -6.789 308 HA ALA 42 HA ALA 42 7.102 13.313 -8.079 309 HB1 ALA 42 HB1 ALA 42 7.021 11.236 -9.343 310 HB2 ALA 42 HB2 ALA 42 5.421 11.973 -9.262 311 HB3 ALA 42 HB3 ALA 42 5.808 10.592 -8.237 312 H GLY 43 HN GLY 43 6.089 11.518 -5.319 313 HA2 GLY 43 HA2 GLY 43 4.821 12.464 -3.585 314 HA3 GLY 43 HA1 GLY 43 4.113 13.579 -4.738 315 H LEU 44 HN LEU 44 2.424 12.492 -3.067 316 HA LEU 44 HA LEU 44 1.341 10.020 -4.183 317 HB2 LEU 44 HB2 LEU 44 0.571 11.615 -1.746 318 HB3 LEU 44 HB1 LEU 44 -0.238 10.150 -2.248 319 HG LEU 44 HG LEU 44 1.195 9.473 -0.537 320 HD11 LEU 44 HD11 LEU 44 1.315 8.010 -2.463 321 HD12 LEU 44 HD12 LEU 44 2.856 8.042 -1.608 322 HD13 LEU 44 HD13 LEU 44 2.662 8.946 -3.109 323 HD21 LEU 44 HD21 LEU 44 2.539 11.482 -0.330 324 HD22 LEU 44 HD22 LEU 44 3.395 11.085 -1.820 325 HD23 LEU 44 HD23 LEU 44 3.577 10.055 -0.398 326 HA PRO 45 HA PRO 45 -1.967 12.092 -6.328 327 HB2 PRO 45 HB2 PRO 45 -3.650 9.977 -6.564 328 HB3 PRO 45 HB1 PRO 45 -2.209 10.179 -7.573 329 HG2 PRO 45 HG2 PRO 45 -2.645 8.424 -5.208 330 HG3 PRO 45 HG1 PRO 45 -1.699 8.119 -6.674 331 HD2 PRO 45 HD2 PRO 45 -0.624 8.847 -4.246 332 HD3 PRO 45 HD1 PRO 45 0.166 9.119 -5.809 333 H GLN 46 HN GLN 46 -4.581 11.634 -6.149 334 HA GLN 46 HA GLN 46 -5.208 12.332 -3.371 335 HB2 GLN 46 HB2 GLN 46 -6.946 12.695 -5.820 336 HB3 GLN 46 HB1 GLN 46 -7.239 13.346 -4.215 337 HG2 GLN 46 HG2 GLN 46 -6.453 15.159 -5.440 338 HG3 GLN 46 HG1 GLN 46 -5.051 14.619 -4.518 339 HE21 GLN 46 HE21 GLN 46 -6.268 12.896 -7.296 340 HE22 GLN 46 HE22 GLN 46 -4.949 13.279 -8.360 341 H GLY 47 HN GLY 47 -7.055 11.404 -2.368 342 HA2 GLY 47 HA2 GLY 47 -8.913 9.921 -2.340 343 HA3 GLY 47 HA1 GLY 47 -8.217 9.077 -3.715 344 H LEU 48 HN LEU 48 -5.887 9.745 -1.368 345 HA LEU 48 HA LEU 48 -6.200 7.062 -0.224 346 HB2 LEU 48 HB2 LEU 48 -3.611 7.126 -0.203 347 HB3 LEU 48 HB1 LEU 48 -4.456 6.725 -1.675 348 HG LEU 48 HG LEU 48 -4.083 8.998 -2.528 349 HD11 LEU 48 HD11 LEU 48 -2.433 9.438 -0.043 350 HD12 LEU 48 HD12 LEU 48 -3.986 10.199 -0.383 351 HD13 LEU 48 HD13 LEU 48 -2.594 10.542 -1.408 352 HD21 LEU 48 HD21 LEU 48 -1.585 7.635 -1.561 353 HD22 LEU 48 HD22 LEU 48 -1.690 8.793 -2.886 354 HD23 LEU 48 HD23 LEU 48 -2.493 7.229 -3.017 355 H LYS 49 HN LYS 49 -7.292 8.975 1.243 356 HA LYS 49 HA LYS 49 -5.283 10.148 3.025 357 HB2 LYS 49 HB2 LYS 49 -8.265 10.571 2.763 358 HB3 LYS 49 HB1 LYS 49 -7.281 11.342 3.996 359 HG2 LYS 49 HG2 LYS 49 -6.704 11.654 1.072 360 HG3 LYS 49 HG1 LYS 49 -7.834 12.702 1.931 361 HD2 LYS 49 HD2 LYS 49 -6.081 13.387 3.460 362 HD3 LYS 49 HD1 LYS 49 -4.942 12.281 2.688 363 HE2 LYS 49 HE2 LYS 49 -5.117 13.524 0.602 364 HE3 LYS 49 HE1 LYS 49 -6.313 14.600 1.325 365 HZ1 LYS 49 HZ1 LYS 49 -4.642 15.379 2.868 366 HZ2 LYS 49 HZ2 LYS 49 -4.091 15.582 1.283 367 HZ3 LYS 49 HZ3 LYS 49 -3.495 14.313 2.230 368 H ALA 50 HN ALA 50 -5.549 9.988 5.357 369 HA ALA 50 HA ALA 50 -5.718 7.484 6.438 370 HB1 ALA 50 HB1 ALA 50 -6.488 10.096 7.746 371 HB2 ALA 50 HB2 ALA 50 -4.862 9.419 7.631 372 HB3 ALA 50 HB3 ALA 50 -6.091 8.604 8.601 373 H GLY 51 HN GLY 51 -7.332 6.056 6.259 374 HA2 GLY 51 HA2 GLY 51 -9.500 5.440 7.234 375 HA3 GLY 51 HA1 GLY 51 -10.081 7.020 6.733 376 H ASP 52 HN ASP 52 -8.413 6.515 4.145 377 HA ASP 52 HA ASP 52 -10.679 5.466 2.695 378 HB2 ASP 52 HB2 ASP 52 -8.043 6.632 1.853 379 HB3 ASP 52 HB1 ASP 52 -9.076 5.804 0.696 380 H ARG 53 HN ARG 53 -10.550 3.795 1.138 381 HA ARG 53 HA ARG 53 -8.570 1.726 1.773 382 HB2 ARG 53 HB2 ARG 53 -10.966 1.166 2.186 383 HB3 ARG 53 HB1 ARG 53 -11.287 1.425 0.479 384 HG2 ARG 53 HG2 ARG 53 -10.028 -0.449 -0.158 385 HG3 ARG 53 HG1 ARG 53 -9.271 -0.569 1.433 386 HD2 ARG 53 HD2 ARG 53 -11.342 -1.252 2.435 387 HD3 ARG 53 HD1 ARG 53 -12.223 -0.936 0.942 388 HE ARG 53 HE ARG 53 -10.720 -2.791 0.006 389 HH11 ARG 53 HH11 ARG 53 -11.990 -2.672 3.267 390 HH12 ARG 53 HH12 ARG 53 -11.909 -4.391 3.502 391 HH21 ARG 53 HH21 ARG 53 -10.637 -5.075 0.314 392 HH22 ARG 53 HH22 ARG 53 -11.164 -5.745 1.822 393 H VAL 54 HN VAL 54 -7.066 1.404 0.262 394 HA VAL 54 HA VAL 54 -7.655 2.194 -2.512 395 HB VAL 54 HB VAL 54 -5.262 3.005 -2.665 396 HG11 VAL 54 HG11 VAL 54 -7.073 4.465 -0.740 397 HG12 VAL 54 HG12 VAL 54 -7.142 4.558 -2.500 398 HG13 VAL 54 HG13 VAL 54 -5.731 5.172 -1.638 399 HG21 VAL 54 HG21 VAL 54 -4.434 1.848 -0.662 400 HG22 VAL 54 HG22 VAL 54 -5.440 2.893 0.345 401 HG23 VAL 54 HG23 VAL 54 -4.120 3.583 -0.599 402 H ALA 55 HN ALA 55 -6.349 1.143 -4.114 403 HA ALA 55 HA ALA 55 -5.225 -1.432 -3.208 404 HB1 ALA 55 HB1 ALA 55 -7.189 -1.702 -4.647 405 HB2 ALA 55 HB2 ALA 55 -5.731 -2.288 -5.452 406 HB3 ALA 55 HB3 ALA 55 -6.416 -0.723 -5.895 407 H PHE 56 HN PHE 56 -3.064 -1.410 -3.230 408 HA PHE 56 HA PHE 56 -1.750 0.248 -5.264 409 HB2 PHE 56 HB2 PHE 56 0.031 0.697 -3.503 410 HB3 PHE 56 HB1 PHE 56 -1.492 1.539 -3.311 411 HD1 PHE 56 HD1 PHE 56 -3.136 0.684 -1.604 412 HD2 PHE 56 HD2 PHE 56 0.874 -0.726 -1.835 413 HE1 PHE 56 HE1 PHE 56 -3.316 -0.192 0.688 414 HE2 PHE 56 HE2 PHE 56 0.702 -1.601 0.461 415 HZ PHE 56 HZ PHE 56 -1.367 -1.310 1.732 416 H SER 57 HN SER 57 0.629 -0.223 -5.354 417 HA SER 57 HA SER 57 1.223 -3.059 -4.888 418 HB2 SER 57 HB2 SER 57 2.639 -2.903 -6.987 419 HB3 SER 57 HB1 SER 57 0.899 -2.846 -7.260 420 HG SER 57 HG SER 57 2.034 -1.232 -8.441 421 H PHE 58 HN PHE 58 3.324 -3.467 -4.172 422 HA PHE 58 HA PHE 58 5.028 -1.101 -3.816 423 HB2 PHE 58 HB2 PHE 58 5.635 -1.737 -1.587 424 HB3 PHE 58 HB1 PHE 58 3.885 -1.626 -1.669 425 HD1 PHE 58 HD1 PHE 58 2.552 -3.771 -1.842 426 HD2 PHE 58 HD2 PHE 58 6.703 -3.699 -0.886 427 HE1 PHE 58 HE1 PHE 58 2.373 -6.031 -0.889 428 HE2 PHE 58 HE2 PHE 58 6.536 -5.958 0.067 429 HZ PHE 58 HZ PHE 58 4.360 -7.129 0.064 430 H ARG 59 HN ARG 59 7.177 -1.416 -4.052 431 HA ARG 59 HA ARG 59 7.955 -4.093 -4.997 432 HB2 ARG 59 HB2 ARG 59 8.044 -2.097 -6.606 433 HB3 ARG 59 HB1 ARG 59 9.388 -1.519 -5.632 434 HG2 ARG 59 HG2 ARG 59 10.532 -3.696 -6.072 435 HG3 ARG 59 HG1 ARG 59 9.241 -4.065 -7.217 436 HD2 ARG 59 HD2 ARG 59 11.039 -3.166 -8.475 437 HD3 ARG 59 HD1 ARG 59 9.799 -1.915 -8.382 438 HE ARG 59 HE ARG 59 11.955 -1.845 -6.414 439 HH11 ARG 59 HH11 ARG 59 10.534 -0.502 -9.320 440 HH12 ARG 59 HH12 ARG 59 11.483 0.948 -9.266 441 HH21 ARG 59 HH21 ARG 59 13.188 0.058 -6.313 442 HH22 ARG 59 HH22 ARG 59 12.974 1.291 -7.533 443 H LEU 60 HN LEU 60 9.595 -5.114 -3.990 444 HA LEU 60 HA LEU 60 10.745 -3.806 -1.658 445 HB2 LEU 60 HB2 LEU 60 10.563 -6.622 -2.625 446 HB3 LEU 60 HB1 LEU 60 11.844 -6.203 -1.507 447 HG LEU 60 HG LEU 60 9.370 -7.066 -0.766 448 HD11 LEU 60 HD11 LEU 60 9.898 -6.198 1.459 449 HD12 LEU 60 HD12 LEU 60 11.185 -5.205 0.760 450 HD13 LEU 60 HD13 LEU 60 11.292 -6.970 0.697 451 HD21 LEU 60 HD21 LEU 60 8.171 -5.203 0.200 452 HD22 LEU 60 HD22 LEU 60 8.288 -5.030 -1.553 453 HD23 LEU 60 HD23 LEU 60 9.333 -4.073 -0.500 454 H ASP 61 HN ASP 61 12.563 -2.769 -1.799 455 HA ASP 61 HA ASP 61 14.347 -3.264 -4.044 456 HB2 ASP 61 HB2 ASP 61 14.281 -1.115 -1.928 457 HB3 ASP 61 HB1 ASP 61 15.608 -1.277 -3.063 458 HA PRO 62 HA PRO 62 17.317 -5.694 -2.128 459 HB2 PRO 62 HB2 PRO 62 19.553 -3.814 -2.524 460 HB3 PRO 62 HB1 PRO 62 19.275 -5.399 -3.253 461 HG2 PRO 62 HG2 PRO 62 19.019 -3.149 -4.683 462 HG3 PRO 62 HG1 PRO 62 17.950 -4.541 -4.939 463 HD2 PRO 62 HD2 PRO 62 17.423 -2.012 -3.411 464 HD3 PRO 62 HD1 PRO 62 16.367 -2.873 -4.549 465 H HIS 63 HN HIS 63 16.615 -2.840 -0.662 466 HA HIS 63 HA HIS 63 18.491 -3.177 1.555 467 HB2 HIS 63 HB2 HIS 63 16.499 -1.040 0.825 468 HB3 HIS 63 HB1 HIS 63 17.215 -1.116 2.428 469 HD1 HIS 63 HD1 HIS 63 18.794 0.804 2.448 470 HD2 HIS 63 HD2 HIS 63 19.118 -1.461 -1.030 471 HE1 HIS 63 HE1 HIS 63 20.763 1.751 1.196 472 HE2 HIS 63 HE2 HIS 63 20.904 0.409 -0.939 473 H GLY 64 HN GLY 64 15.339 -3.995 0.571 474 HA2 GLY 64 HA2 GLY 64 13.940 -5.506 1.743 475 HA3 GLY 64 HA1 GLY 64 14.766 -5.074 3.238 476 H MET 65 HN MET 65 13.983 -2.480 1.237 477 HA MET 65 HA MET 65 12.019 -1.547 3.153 478 HB2 MET 65 HB2 MET 65 13.332 -0.183 0.794 479 HB3 MET 65 HB1 MET 65 12.166 0.586 1.864 480 HG2 MET 65 HG2 MET 65 14.811 -0.548 2.719 481 HG3 MET 65 HG1 MET 65 14.486 1.155 2.416 482 HE1 MET 65 HE1 MET 65 15.430 1.741 4.842 483 HE2 MET 65 HE2 MET 65 15.741 0.030 5.139 484 HE3 MET 65 HE3 MET 65 14.845 0.981 6.324 485 H ALA 66 HN ALA 66 9.995 -0.694 2.478 486 HA ALA 66 HA ALA 66 8.902 -2.222 0.227 487 HB1 ALA 66 HB1 ALA 66 6.728 -2.084 1.389 488 HB2 ALA 66 HB2 ALA 66 7.509 -1.232 2.723 489 HB3 ALA 66 HB3 ALA 66 7.950 -2.902 2.362 490 H THR 67 HN THR 67 9.038 -0.854 -1.422 491 HA THR 67 HA THR 67 8.431 1.963 -0.969 492 HB THR 67 HB THR 67 9.462 0.894 -3.573 493 HG1 THR 67 HG1 THR 67 11.367 0.404 -2.702 494 HG21 THR 67 HG21 THR 67 8.904 3.277 -3.346 495 HG22 THR 67 HG22 THR 67 10.642 3.049 -3.565 496 HG23 THR 67 HG23 THR 67 9.991 3.395 -1.960 497 H LEU 68 HN LEU 68 6.576 2.805 -1.551 498 HA LEU 68 HA LEU 68 4.518 1.218 -2.720 499 HB2 LEU 68 HB2 LEU 68 4.635 3.448 -1.120 500 HB3 LEU 68 HB1 LEU 68 4.128 4.126 -2.647 501 HG LEU 68 HG LEU 68 2.701 1.948 -1.120 502 HD11 LEU 68 HD11 LEU 68 2.520 4.167 -0.103 503 HD12 LEU 68 HD12 LEU 68 0.980 3.618 -0.765 504 HD13 LEU 68 HD13 LEU 68 1.938 4.815 -1.636 505 HD21 LEU 68 HD21 LEU 68 1.884 3.355 -3.656 506 HD22 LEU 68 HD22 LEU 68 0.957 2.138 -2.778 507 HD23 LEU 68 HD23 LEU 68 2.474 1.696 -3.556 508 H VAL 69 HN VAL 69 3.907 1.073 -4.817 509 HA VAL 69 HA VAL 69 5.629 2.495 -6.734 510 HB VAL 69 HB VAL 69 3.918 0.047 -7.198 511 HG11 VAL 69 HG11 VAL 69 4.366 1.319 -9.232 512 HG12 VAL 69 HG12 VAL 69 5.238 -0.215 -9.242 513 HG13 VAL 69 HG13 VAL 69 6.096 1.282 -8.885 514 HG21 VAL 69 HG21 VAL 69 6.036 -1.212 -7.135 515 HG22 VAL 69 HG22 VAL 69 5.654 -0.457 -5.582 516 HG23 VAL 69 HG23 VAL 69 6.875 0.261 -6.639 517 H THR 70 HN THR 70 2.322 1.186 -6.818 518 HA THR 70 HA THR 70 1.361 3.794 -7.747 519 HB THR 70 HB THR 70 -0.171 2.564 -9.359 520 HG1 THR 70 HG1 THR 70 0.931 0.445 -8.266 521 HG21 THR 70 HG21 THR 70 1.715 3.870 -10.165 522 HG22 THR 70 HG22 THR 70 1.522 2.410 -11.134 523 HG23 THR 70 HG23 THR 70 2.796 2.502 -9.916 524 H VAL 71 HN VAL 71 -0.714 4.291 -7.072 525 HA VAL 71 HA VAL 71 -2.142 2.209 -5.577 526 HB VAL 71 HB VAL 71 -0.940 3.583 -3.929 527 HG11 VAL 71 HG11 VAL 71 -1.543 5.910 -3.565 528 HG12 VAL 71 HG12 VAL 71 -2.567 5.872 -4.999 529 HG13 VAL 71 HG13 VAL 71 -0.820 5.677 -5.158 530 HG21 VAL 71 HG21 VAL 71 -2.920 4.272 -2.566 531 HG22 VAL 71 HG22 VAL 71 -2.979 2.619 -3.188 532 HG23 VAL 71 HG23 VAL 71 -3.929 3.886 -3.964 533 H ALA 72 HN ALA 72 -4.143 2.012 -6.261 534 HA ALA 72 HA ALA 72 -5.357 4.262 -7.719 535 HB1 ALA 72 HB1 ALA 72 -5.033 2.289 -9.103 536 HB2 ALA 72 HB2 ALA 72 -6.754 2.570 -8.836 537 HB3 ALA 72 HB3 ALA 72 -5.915 1.303 -7.938 538 HA PRO 73 HA PRO 73 -8.363 4.771 -4.474 539 HB2 PRO 73 HB2 PRO 73 -10.121 5.283 -6.832 540 HB3 PRO 73 HB1 PRO 73 -9.937 6.208 -5.336 541 HG2 PRO 73 HG2 PRO 73 -8.794 7.069 -7.567 542 HG3 PRO 73 HG1 PRO 73 -7.909 7.151 -6.031 543 HD2 PRO 73 HD2 PRO 73 -7.601 5.217 -8.293 544 HD3 PRO 73 HD1 PRO 73 -6.360 5.941 -7.248 545 H GLN 74 HN GLN 74 -8.810 2.807 -3.672 546 HA GLN 74 HA GLN 74 -10.406 0.889 -5.114 547 HB2 GLN 74 HB2 GLN 74 -8.515 0.690 -3.166 548 HB3 GLN 74 HB1 GLN 74 -9.991 0.570 -2.221 549 HG2 GLN 74 HG2 GLN 74 -10.625 -1.182 -4.068 550 HG3 GLN 74 HG1 GLN 74 -8.871 -1.248 -4.245 551 HE21 GLN 74 HE21 GLN 74 -7.613 -1.823 -2.413 552 HE22 GLN 74 HE22 GLN 74 -8.283 -2.791 -1.153 553 H VAL 75 HN VAL 75 -12.246 -0.079 -3.852 554 HA VAL 75 HA VAL 75 -13.478 1.517 -1.851 555 HB VAL 75 HB VAL 75 -14.342 2.817 -3.607 556 HG11 VAL 75 HG11 VAL 75 -13.820 1.448 -5.494 557 HG12 VAL 75 HG12 VAL 75 -15.534 1.871 -5.554 558 HG13 VAL 75 HG13 VAL 75 -15.041 0.260 -5.029 559 HG21 VAL 75 HG21 VAL 75 -16.003 2.265 -1.943 560 HG22 VAL 75 HG22 VAL 75 -16.448 0.806 -2.832 561 HG23 VAL 75 HG23 VAL 75 -16.761 2.396 -3.533 562 H GLN 76 HN GLN 76 -12.888 -0.488 -0.886 563 HA GLN 76 HA GLN 76 -13.695 -2.203 0.349 564 HB2 GLN 76 HB2 GLN 76 -16.156 -1.338 -1.021 565 HB3 GLN 76 HB1 GLN 76 -16.159 -2.965 -0.353 566 HG2 GLN 76 HG2 GLN 76 -15.664 -0.397 1.133 567 HG3 GLN 76 HG1 GLN 76 -17.076 -1.451 1.250 568 HE21 GLN 76 HE21 GLN 76 -16.737 -3.601 2.055 569 HE22 GLN 76 HE22 GLN 76 -15.517 -3.868 3.260 570 H THR 77 HN THR 77 -15.754 -3.262 -2.137 571 HA THR 77 HA THR 77 -14.038 -5.592 -2.456 572 HB THR 77 HB THR 77 -16.335 -5.995 -1.654 573 HG1 THR 77 HG1 THR 77 -16.404 -7.816 -2.762 574 HG21 THR 77 HG21 THR 77 -17.508 -4.206 -2.812 575 HG22 THR 77 HG22 THR 77 -18.226 -5.765 -3.218 576 HG23 THR 77 HG23 THR 77 -17.161 -4.958 -4.371 577 H ALA 78 HN ALA 78 -14.911 -2.808 -4.047 578 HA ALA 78 HA ALA 78 -14.807 -2.015 -6.179 579 HB1 ALA 78 HB1 ALA 78 -12.894 -4.324 -6.572 580 HB2 ALA 78 HB2 ALA 78 -12.468 -2.727 -5.959 581 HB3 ALA 78 HB3 ALA 78 -13.043 -2.909 -7.616 582 H GLY 79 HN GLY 79 -14.400 -3.638 -8.607 583 HA2 GLY 79 HA2 GLY 79 -17.079 -4.543 -9.026 584 HA3 GLY 79 HA1 GLY 79 -15.732 -4.727 -10.144 585 H ALA 80 HN ALA 80 -14.012 -6.096 -8.348 586 HA ALA 80 HA ALA 80 -15.158 -8.377 -7.170 587 HB1 ALA 80 HB1 ALA 80 -14.024 -8.830 -9.936 588 HB2 ALA 80 HB2 ALA 80 -15.706 -9.042 -9.449 589 HB3 ALA 80 HB3 ALA 80 -14.456 -10.098 -8.788 590 H LYS 81 HN LYS 81 -12.361 -7.369 -9.102 591 HA LYS 81 HA LYS 81 -10.593 -8.338 -6.964 592 HB2 LYS 81 HB2 LYS 81 -10.100 -9.372 -9.100 593 HB3 LYS 81 HB1 LYS 81 -10.043 -7.805 -9.894 594 HG2 LYS 81 HG2 LYS 81 -7.805 -8.582 -9.584 595 HG3 LYS 81 HG1 LYS 81 -8.079 -7.225 -8.492 596 HD2 LYS 81 HD2 LYS 81 -6.876 -8.939 -7.312 597 HD3 LYS 81 HD1 LYS 81 -8.514 -8.849 -6.664 598 HE2 LYS 81 HE2 LYS 81 -7.837 -11.162 -6.935 599 HE3 LYS 81 HE1 LYS 81 -9.152 -10.775 -8.046 600 HZ1 LYS 81 HZ1 LYS 81 -7.524 -10.508 -9.818 601 HZ2 LYS 81 HZ2 LYS 81 -7.439 -12.059 -9.140 602 HZ3 LYS 81 HZ3 LYS 81 -6.265 -10.898 -8.746 603 HA PRO 82 HA PRO 82 -9.691 -3.971 -6.307 604 HB2 PRO 82 HB2 PRO 82 -8.149 -4.846 -4.020 605 HB3 PRO 82 HB1 PRO 82 -9.674 -3.962 -4.039 606 HG2 PRO 82 HG2 PRO 82 -9.429 -6.532 -3.150 607 HG3 PRO 82 HG1 PRO 82 -10.929 -5.862 -3.820 608 HD2 PRO 82 HD2 PRO 82 -8.868 -7.593 -5.139 609 HD3 PRO 82 HD1 PRO 82 -10.641 -7.661 -5.254 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 14.722 -4.742 -8.371 2 H2 GLY 1 HT2 GLY 1 13.258 -4.575 -9.207 3 H3 GLY 1 HT3 GLY 1 13.921 -6.115 -8.961 4 HA2 GLY 1 HA1 GLY 1 13.633 -5.869 -6.566 5 HA3 GLY 1 HA2 GLY 1 12.893 -4.300 -6.856 6 HA PRO 2 HA PRO 2 10.027 -8.175 -7.774 7 HB2 PRO 2 HB2 PRO 2 9.403 -9.123 -5.296 8 HB3 PRO 2 HB1 PRO 2 10.698 -9.798 -6.294 9 HG2 PRO 2 HG2 PRO 2 10.871 -7.795 -4.071 10 HG3 PRO 2 HG1 PRO 2 11.879 -9.230 -4.356 11 HD2 PRO 2 HD2 PRO 2 12.733 -6.788 -5.033 12 HD3 PRO 2 HD1 PRO 2 13.076 -8.192 -6.065 13 H GLU 3 HN GLU 3 8.096 -7.407 -8.131 14 HA GLU 3 HA GLU 3 7.041 -5.313 -6.373 15 HB2 GLU 3 HB2 GLU 3 7.423 -4.809 -8.785 16 HB3 GLU 3 HB1 GLU 3 6.240 -6.043 -9.193 17 HG2 GLU 3 HG2 GLU 3 4.489 -4.783 -8.116 18 HG3 GLU 3 HG1 GLU 3 5.661 -3.585 -7.559 19 H HIS 4 HN HIS 4 5.377 -5.724 -5.123 20 HA HIS 4 HA HIS 4 3.535 -7.903 -5.849 21 HB2 HIS 4 HB2 HIS 4 4.291 -7.271 -2.992 22 HB3 HIS 4 HB1 HIS 4 3.384 -8.653 -3.583 23 HD1 HIS 4 HD1 HIS 4 4.799 -10.557 -4.792 24 HD2 HIS 4 HD2 HIS 4 7.021 -7.587 -2.905 25 HE1 HIS 4 HE1 HIS 4 7.121 -11.487 -4.556 26 HE2 HIS 4 HE2 HIS 4 8.393 -9.755 -3.241 27 H ARG 5 HN ARG 5 1.366 -7.377 -5.542 28 HA ARG 5 HA ARG 5 0.900 -4.610 -4.703 29 HB2 ARG 5 HB2 ARG 5 -1.342 -4.853 -5.729 30 HB3 ARG 5 HB1 ARG 5 -0.015 -5.040 -6.873 31 HG2 ARG 5 HG2 ARG 5 -0.297 -7.482 -6.744 32 HG3 ARG 5 HG1 ARG 5 -1.674 -7.239 -5.662 33 HD2 ARG 5 HD2 ARG 5 -2.504 -7.551 -7.895 34 HD3 ARG 5 HD1 ARG 5 -2.745 -5.869 -7.427 35 HE ARG 5 HE ARG 5 -0.279 -6.141 -8.779 36 HH11 ARG 5 HH11 ARG 5 -3.742 -6.077 -9.369 37 HH12 ARG 5 HH12 ARG 5 -3.569 -5.588 -11.030 38 HH21 ARG 5 HH21 ARG 5 -0.072 -5.493 -10.964 39 HH22 ARG 5 HH22 ARG 5 -1.497 -5.267 -11.929 40 H ALA 6 HN ALA 6 -1.037 -4.141 -3.479 41 HA ALA 6 HA ALA 6 -2.166 -6.234 -1.861 42 HB1 ALA 6 HB1 ALA 6 0.015 -5.882 -0.759 43 HB2 ALA 6 HB2 ALA 6 -1.345 -5.426 0.267 44 HB3 ALA 6 HB3 ALA 6 -0.395 -4.180 -0.542 45 H VAL 7 HN VAL 7 -3.993 -5.561 -0.814 46 HA VAL 7 HA VAL 7 -4.778 -2.762 -1.204 47 HB VAL 7 HB VAL 7 -7.095 -3.513 -0.748 48 HG11 VAL 7 HG11 VAL 7 -7.434 -4.667 -2.893 49 HG12 VAL 7 HG12 VAL 7 -5.694 -4.935 -3.005 50 HG13 VAL 7 HG13 VAL 7 -6.337 -3.291 -3.033 51 HG21 VAL 7 HG21 VAL 7 -6.613 -5.490 0.594 52 HG22 VAL 7 HG22 VAL 7 -5.893 -6.281 -0.807 53 HG23 VAL 7 HG23 VAL 7 -7.616 -5.913 -0.793 54 H GLY 8 HN GLY 8 -5.404 -1.501 0.529 55 HA2 GLY 8 HA2 GLY 8 -5.595 -2.623 3.172 56 HA3 GLY 8 HA1 GLY 8 -4.088 -1.763 2.893 57 H ARG 9 HN ARG 9 -5.429 -0.759 4.839 58 HA ARG 9 HA ARG 9 -7.030 1.450 3.749 59 HB2 ARG 9 HB2 ARG 9 -8.114 -0.152 5.404 60 HB3 ARG 9 HB1 ARG 9 -7.020 0.504 6.615 61 HG2 ARG 9 HG2 ARG 9 -7.971 2.715 6.307 62 HG3 ARG 9 HG1 ARG 9 -9.018 2.102 5.027 63 HD2 ARG 9 HD2 ARG 9 -10.031 0.550 6.674 64 HD3 ARG 9 HD1 ARG 9 -9.066 1.315 7.936 65 HE ARG 9 HE ARG 9 -10.745 3.104 6.386 66 HH11 ARG 9 HH11 ARG 9 -10.366 1.171 9.272 67 HH12 ARG 9 HH12 ARG 9 -11.657 1.953 10.130 68 HH21 ARG 9 HH21 ARG 9 -12.457 4.153 7.517 69 HH22 ARG 9 HH22 ARG 9 -12.845 3.649 9.133 70 H ILE 10 HN ILE 10 -6.253 3.432 3.927 71 HA ILE 10 HA ILE 10 -3.592 3.869 4.728 72 HB ILE 10 HB ILE 10 -5.741 5.949 4.317 73 HG12 ILE 10 HG12 ILE 10 -5.599 4.531 2.357 74 HG13 ILE 10 HG11 ILE 10 -4.848 6.085 2.003 75 HG21 ILE 10 HG21 ILE 10 -2.736 6.127 4.215 76 HG22 ILE 10 HG22 ILE 10 -3.796 6.847 5.427 77 HG23 ILE 10 HG23 ILE 10 -3.846 7.419 3.759 78 HD11 ILE 10 HD11 ILE 10 -2.646 5.086 2.349 79 HD12 ILE 10 HD12 ILE 10 -3.555 4.259 1.083 80 HD13 ILE 10 HD13 ILE 10 -3.411 3.530 2.685 81 H GLN 11 HN GLN 11 -2.720 4.396 6.600 82 HA GLN 11 HA GLN 11 -4.463 4.699 8.912 83 HB2 GLN 11 HB2 GLN 11 -2.241 3.229 8.573 84 HB3 GLN 11 HB1 GLN 11 -1.497 4.708 9.157 85 HG2 GLN 11 HG2 GLN 11 -1.905 3.115 10.944 86 HG3 GLN 11 HG1 GLN 11 -2.820 4.606 11.179 87 HE21 GLN 11 HE21 GLN 11 -3.011 1.233 10.294 88 HE22 GLN 11 HE22 GLN 11 -4.708 1.061 10.582 89 H SER 12 HN SER 12 -1.648 6.300 7.444 90 HA SER 12 HA SER 12 -2.812 8.896 7.836 91 HB2 SER 12 HB2 SER 12 -0.223 8.245 9.269 92 HB3 SER 12 HB1 SER 12 -0.988 9.833 9.168 93 HG SER 12 HG SER 12 -2.801 8.136 10.087 94 H ILE 13 HN ILE 13 -1.676 10.538 6.674 95 HA ILE 13 HA ILE 13 0.057 9.445 4.561 96 HB ILE 13 HB ILE 13 -1.472 12.057 4.679 97 HG12 ILE 13 HG12 ILE 13 -1.959 9.573 3.028 98 HG13 ILE 13 HG11 ILE 13 -2.884 10.040 4.449 99 HG21 ILE 13 HG21 ILE 13 0.555 12.283 3.339 100 HG22 ILE 13 HG22 ILE 13 -0.881 12.314 2.315 101 HG23 ILE 13 HG23 ILE 13 0.106 10.855 2.404 102 HD11 ILE 13 HD11 ILE 13 -3.621 12.066 3.294 103 HD12 ILE 13 HD12 ILE 13 -4.064 10.604 2.407 104 HD13 ILE 13 HD13 ILE 13 -2.694 11.580 1.872 105 H GLY 14 HN GLY 14 2.031 10.348 4.092 106 HA2 GLY 14 HA2 GLY 14 3.053 12.328 6.026 107 HA3 GLY 14 HA1 GLY 14 4.018 10.983 5.441 108 H GLU 15 HN GLU 15 5.589 12.474 4.745 109 HA GLU 15 HA GLU 15 4.867 14.438 2.721 110 HB2 GLU 15 HB2 GLU 15 7.325 15.027 2.927 111 HB3 GLU 15 HB1 GLU 15 6.378 15.223 4.395 112 HG2 GLU 15 HG2 GLU 15 7.213 13.105 5.244 113 HG3 GLU 15 HG1 GLU 15 8.128 12.857 3.760 114 H ARG 16 HN ARG 16 6.734 11.523 3.115 115 HA ARG 16 HA ARG 16 6.828 11.071 0.233 116 HB2 ARG 16 HB2 ARG 16 9.230 10.448 0.449 117 HB3 ARG 16 HB1 ARG 16 8.917 12.158 0.646 118 HG2 ARG 16 HG2 ARG 16 8.880 11.708 3.144 119 HG3 ARG 16 HG1 ARG 16 9.570 10.132 2.754 120 HD2 ARG 16 HD2 ARG 16 11.373 11.553 3.270 121 HD3 ARG 16 HD1 ARG 16 11.367 11.353 1.517 122 HE ARG 16 HE ARG 16 10.411 13.759 2.947 123 HH11 ARG 16 HH11 ARG 16 11.738 12.201 0.088 124 HH12 ARG 16 HH12 ARG 16 12.005 13.702 -0.748 125 HH21 ARG 16 HH21 ARG 16 10.735 15.721 1.820 126 HH22 ARG 16 HH22 ARG 16 11.413 15.703 0.219 127 H SER 17 HN SER 17 5.885 10.095 3.050 128 HA SER 17 HA SER 17 6.006 7.296 2.450 129 HB2 SER 17 HB2 SER 17 6.852 6.925 4.908 130 HB3 SER 17 HB1 SER 17 8.016 7.231 3.622 131 HG SER 17 HG SER 17 7.593 8.651 5.843 132 H LEU 18 HN LEU 18 4.398 6.171 3.526 133 HA LEU 18 HA LEU 18 2.834 7.549 5.528 134 HB2 LEU 18 HB2 LEU 18 0.723 6.967 4.089 135 HB3 LEU 18 HB1 LEU 18 1.579 8.480 3.883 136 HG LEU 18 HG LEU 18 2.868 7.114 2.024 137 HD11 LEU 18 HD11 LEU 18 0.197 5.725 2.128 138 HD12 LEU 18 HD12 LEU 18 1.760 4.989 2.481 139 HD13 LEU 18 HD13 LEU 18 1.404 5.564 0.852 140 HD21 LEU 18 HD21 LEU 18 0.106 8.268 1.701 141 HD22 LEU 18 HD22 LEU 18 1.267 8.003 0.400 142 HD23 LEU 18 HD23 LEU 18 1.627 9.164 1.681 143 H ILE 19 HN ILE 19 1.279 6.206 6.548 144 HA ILE 19 HA ILE 19 2.291 3.453 6.596 145 HB ILE 19 HB ILE 19 0.606 4.711 8.749 146 HG12 ILE 19 HG12 ILE 19 3.617 4.900 8.479 147 HG13 ILE 19 HG11 ILE 19 2.493 6.240 8.296 148 HG21 ILE 19 HG21 ILE 19 0.959 2.319 8.880 149 HG22 ILE 19 HG22 ILE 19 1.854 3.126 10.167 150 HG23 ILE 19 HG23 ILE 19 2.703 2.541 8.736 151 HD11 ILE 19 HD11 ILE 19 2.984 4.661 10.808 152 HD12 ILE 19 HD12 ILE 19 1.817 5.970 10.635 153 HD13 ILE 19 HD13 ILE 19 3.541 6.298 10.470 154 H ILE 20 HN ILE 20 0.986 1.776 6.113 155 HA ILE 20 HA ILE 20 -1.893 2.328 5.791 156 HB ILE 20 HB ILE 20 -0.202 0.696 3.890 157 HG12 ILE 20 HG12 ILE 20 -1.565 3.354 3.413 158 HG13 ILE 20 HG11 ILE 20 0.154 3.166 3.736 159 HG21 ILE 20 HG21 ILE 20 -3.114 1.466 3.770 160 HG22 ILE 20 HG22 ILE 20 -2.486 -0.134 4.155 161 HG23 ILE 20 HG23 ILE 20 -2.234 0.548 2.549 162 HD11 ILE 20 HD11 ILE 20 -0.303 3.441 1.358 163 HD12 ILE 20 HD12 ILE 20 -1.326 2.004 1.385 164 HD13 ILE 20 HD13 ILE 20 0.405 1.862 1.699 165 H ALA 21 HN ALA 21 -3.086 0.984 6.942 166 HA ALA 21 HA ALA 21 -2.085 -1.553 7.885 167 HB1 ALA 21 HB1 ALA 21 -4.345 -1.852 8.803 168 HB2 ALA 21 HB2 ALA 21 -4.865 -0.379 7.984 169 HB3 ALA 21 HB3 ALA 21 -3.654 -0.296 9.264 170 H HIS 22 HN HIS 22 -1.623 -2.741 6.053 171 HA HIS 22 HA HIS 22 -3.637 -3.062 3.996 172 HB2 HIS 22 HB2 HIS 22 -1.954 -4.528 2.900 173 HB3 HIS 22 HB1 HIS 22 -1.334 -2.922 3.250 174 HD1 HIS 22 HD1 HIS 22 -1.181 -6.457 4.653 175 HD2 HIS 22 HD2 HIS 22 0.978 -2.894 4.692 176 HE1 HIS 22 HE1 HIS 22 0.980 -6.980 5.832 177 HE2 HIS 22 HE2 HIS 22 2.180 -4.774 5.999 178 H GLU 23 HN GLU 23 -4.494 -5.080 3.373 179 HA GLU 23 HA GLU 23 -5.242 -6.836 5.480 180 HB2 GLU 23 HB2 GLU 23 -5.422 -7.150 2.481 181 HB3 GLU 23 HB1 GLU 23 -6.191 -8.216 3.646 182 HG2 GLU 23 HG2 GLU 23 -6.759 -5.295 3.242 183 HG3 GLU 23 HG1 GLU 23 -7.780 -6.638 2.741 184 H ALA 24 HN ALA 24 -5.067 -9.330 4.663 185 HA ALA 24 HA ALA 24 -2.341 -10.076 4.936 186 HB1 ALA 24 HB1 ALA 24 -3.098 -12.352 4.576 187 HB2 ALA 24 HB2 ALA 24 -4.660 -11.766 4.003 188 HB3 ALA 24 HB3 ALA 24 -4.192 -11.526 5.689 189 H ILE 25 HN ILE 25 -0.880 -10.001 3.419 190 HA ILE 25 HA ILE 25 -1.673 -9.690 0.627 191 HB ILE 25 HB ILE 25 1.088 -9.389 1.812 192 HG12 ILE 25 HG12 ILE 25 -0.941 -7.219 1.234 193 HG13 ILE 25 HG11 ILE 25 -0.508 -7.795 2.843 194 HG21 ILE 25 HG21 ILE 25 1.032 -9.776 -0.591 195 HG22 ILE 25 HG22 ILE 25 1.542 -8.124 -0.235 196 HG23 ILE 25 HG23 ILE 25 -0.103 -8.441 -0.791 197 HD11 ILE 25 HD11 ILE 25 1.792 -7.047 2.479 198 HD12 ILE 25 HD12 ILE 25 0.636 -5.725 2.335 199 HD13 ILE 25 HD13 ILE 25 1.337 -6.446 0.886 200 HA PRO 26 HA PRO 26 -0.518 -14.091 0.318 201 HB2 PRO 26 HB2 PRO 26 -1.607 -13.652 -2.400 202 HB3 PRO 26 HB1 PRO 26 -2.027 -14.888 -1.210 203 HG2 PRO 26 HG2 PRO 26 -3.702 -12.879 -1.725 204 HG3 PRO 26 HG1 PRO 26 -3.486 -13.478 -0.067 205 HD2 PRO 26 HD2 PRO 26 -2.313 -11.045 -1.364 206 HD3 PRO 26 HD1 PRO 26 -3.022 -11.225 0.255 207 H SER 27 HN SER 27 -0.009 -11.506 -2.029 208 HA SER 27 HA SER 27 1.925 -12.706 -3.633 209 HB2 SER 27 HB2 SER 27 1.558 -9.785 -2.924 210 HB3 SER 27 HB1 SER 27 2.533 -10.384 -4.270 211 HG SER 27 HG SER 27 0.591 -11.380 -5.074 212 H ALA 28 HN ALA 28 2.235 -11.185 -0.494 213 HA ALA 28 HA ALA 28 5.152 -11.598 -0.628 214 HB1 ALA 28 HB1 ALA 28 5.377 -9.843 1.046 215 HB2 ALA 28 HB2 ALA 28 3.623 -9.648 1.091 216 HB3 ALA 28 HB3 ALA 28 4.520 -9.250 -0.377 217 H GLN 29 HN GLN 29 2.517 -13.075 0.434 218 HA GLN 29 HA GLN 29 1.910 -14.465 2.109 219 HB2 GLN 29 HB2 GLN 29 4.876 -14.725 2.105 220 HB3 GLN 29 HB1 GLN 29 3.976 -15.456 3.427 221 HG2 GLN 29 HG2 GLN 29 3.912 -17.222 2.051 222 HG3 GLN 29 HG1 GLN 29 2.544 -16.364 1.354 223 HE21 GLN 29 HE21 GLN 29 4.346 -14.330 0.163 224 HE22 GLN 29 HE22 GLN 29 5.048 -15.104 -1.220 225 H TRP 30 HN TRP 30 2.146 -11.618 2.673 226 HA TRP 30 HA TRP 30 2.947 -11.516 5.470 227 HB2 TRP 30 HB2 TRP 30 2.022 -9.431 3.508 228 HB3 TRP 30 HB1 TRP 30 2.096 -9.093 5.238 229 HD1 TRP 30 HD1 TRP 30 4.929 -11.270 4.613 230 HE1 TRP 30 HE1 TRP 30 7.096 -9.932 4.244 231 HE3 TRP 30 HE3 TRP 30 2.911 -6.626 3.839 232 HZ2 TRP 30 HZ2 TRP 30 7.852 -7.280 3.698 233 HZ3 TRP 30 HZ3 TRP 30 4.434 -4.741 3.403 234 HH2 TRP 30 HH2 TRP 30 6.856 -5.065 3.334 235 H GLY 31 HN GLY 31 1.550 -10.842 7.124 236 HA2 GLY 31 HA2 GLY 31 -1.248 -11.525 6.683 237 HA3 GLY 31 HA1 GLY 31 -0.480 -11.227 8.239 238 H ALA 32 HN ALA 32 -2.632 -10.013 8.275 239 HA ALA 32 HA ALA 32 -2.659 -7.440 6.982 240 HB1 ALA 32 HB1 ALA 32 -4.762 -8.586 7.350 241 HB2 ALA 32 HB2 ALA 32 -4.735 -7.078 8.262 242 HB3 ALA 32 HB3 ALA 32 -4.471 -8.614 9.088 243 H MET 33 HN MET 33 -1.539 -5.779 7.701 244 HA MET 33 HA MET 33 -1.410 -5.060 10.447 245 HB2 MET 33 HB2 MET 33 1.182 -5.143 10.453 246 HB3 MET 33 HB1 MET 33 0.279 -6.602 10.833 247 HG2 MET 33 HG2 MET 33 0.719 -7.546 8.731 248 HG3 MET 33 HG1 MET 33 1.280 -6.015 8.069 249 HE1 MET 33 HE1 MET 33 4.497 -8.325 8.126 250 HE2 MET 33 HE2 MET 33 3.435 -7.357 7.105 251 HE3 MET 33 HE3 MET 33 2.835 -8.843 7.841 252 H THR 34 HN THR 34 -0.189 -3.106 10.811 253 HA THR 34 HA THR 34 -0.564 -1.352 8.530 254 HB THR 34 HB THR 34 0.168 -0.613 11.367 255 HG1 THR 34 HG1 THR 34 -1.965 -0.651 11.831 256 HG21 THR 34 HG21 THR 34 -0.840 1.527 10.804 257 HG22 THR 34 HG22 THR 34 -1.210 0.943 9.181 258 HG23 THR 34 HG23 THR 34 0.469 1.154 9.682 259 H MET 35 HN MET 35 1.104 -1.295 7.180 260 HA MET 35 HA MET 35 3.838 -1.229 8.281 261 HB2 MET 35 HB2 MET 35 3.379 -3.147 6.820 262 HB3 MET 35 HB1 MET 35 2.889 -2.057 5.530 263 HG2 MET 35 HG2 MET 35 5.135 -2.905 5.164 264 HG3 MET 35 HG1 MET 35 5.145 -1.160 5.406 265 HE1 MET 35 HE1 MET 35 4.776 -4.003 8.097 266 HE2 MET 35 HE2 MET 35 6.448 -4.212 8.616 267 HE3 MET 35 HE3 MET 35 5.970 -4.663 6.980 268 H GLU 36 HN GLU 36 5.337 0.246 7.465 269 HA GLU 36 HA GLU 36 4.203 2.705 6.409 270 HB2 GLU 36 HB2 GLU 36 5.771 2.802 8.300 271 HB3 GLU 36 HB1 GLU 36 7.008 2.026 7.322 272 HG2 GLU 36 HG2 GLU 36 6.898 3.981 5.775 273 HG3 GLU 36 HG1 GLU 36 5.823 4.762 6.934 274 H PHE 37 HN PHE 37 4.370 3.329 4.346 275 HA PHE 37 HA PHE 37 6.180 1.802 2.582 276 HB2 PHE 37 HB2 PHE 37 3.449 2.960 1.965 277 HB3 PHE 37 HB1 PHE 37 4.532 2.282 0.756 278 HD1 PHE 37 HD2 PHE 37 4.913 -0.112 0.631 279 HD2 PHE 37 HD1 PHE 37 2.270 1.546 3.524 280 HE1 PHE 37 HE2 PHE 37 3.977 -2.348 1.053 281 HE2 PHE 37 HE1 PHE 37 1.334 -0.687 3.952 282 HZ PHE 37 HZ PHE 37 2.172 -2.637 2.691 283 H ALA 38 HN ALA 38 7.497 2.932 1.262 284 HA ALA 38 HA ALA 38 7.587 5.826 1.657 285 HB1 ALA 38 HB1 ALA 38 9.582 3.969 0.358 286 HB2 ALA 38 HB2 ALA 38 9.659 4.581 2.010 287 HB3 ALA 38 HB3 ALA 38 9.818 5.692 0.649 288 H ALA 39 HN ALA 39 7.385 7.303 0.006 289 HA ALA 39 HA ALA 39 6.069 6.255 -2.390 290 HB1 ALA 39 HB1 ALA 39 6.320 9.090 -1.384 291 HB2 ALA 39 HB2 ALA 39 4.941 8.021 -1.121 292 HB3 ALA 39 HB3 ALA 39 5.344 8.556 -2.754 293 HA PRO 40 HA PRO 40 9.501 7.115 -5.095 294 HB2 PRO 40 HB2 PRO 40 8.113 7.875 -7.332 295 HB3 PRO 40 HB1 PRO 40 8.326 6.191 -6.840 296 HG2 PRO 40 HG2 PRO 40 5.981 8.005 -6.428 297 HG3 PRO 40 HG1 PRO 40 6.009 6.292 -6.891 298 HD2 PRO 40 HD2 PRO 40 5.473 7.077 -4.368 299 HD3 PRO 40 HD1 PRO 40 6.354 5.577 -4.719 300 HA PRO 41 HA PRO 41 10.365 11.446 -4.898 301 HB2 PRO 41 HB2 PRO 41 11.392 11.261 -7.681 302 HB3 PRO 41 HB1 PRO 41 12.208 11.806 -6.209 303 HG2 PRO 41 HG2 PRO 41 12.777 9.435 -7.284 304 HG3 PRO 41 HG1 PRO 41 12.701 9.646 -5.525 305 HD2 PRO 41 HD2 PRO 41 10.700 8.415 -7.376 306 HD3 PRO 41 HD1 PRO 41 11.188 7.911 -5.746 307 H ALA 42 HN ALA 42 8.430 10.142 -7.414 308 HA ALA 42 HA ALA 42 7.620 12.450 -8.764 309 HB1 ALA 42 HB1 ALA 42 5.680 11.162 -9.456 310 HB2 ALA 42 HB2 ALA 42 6.007 9.965 -8.203 311 HB3 ALA 42 HB3 ALA 42 7.139 10.175 -9.539 312 H GLY 43 HN GLY 43 6.386 10.955 -5.791 313 HA2 GLY 43 HA2 GLY 43 5.541 12.372 -4.031 314 HA3 GLY 43 HA1 GLY 43 4.909 13.446 -5.267 315 H LEU 44 HN LEU 44 3.240 12.717 -3.317 316 HA LEU 44 HA LEU 44 1.810 10.301 -4.046 317 HB2 LEU 44 HB2 LEU 44 1.412 12.272 -1.809 318 HB3 LEU 44 HB1 LEU 44 0.349 10.916 -2.087 319 HG LEU 44 HG LEU 44 1.796 10.269 -0.349 320 HD11 LEU 44 HD11 LEU 44 2.810 9.069 -2.916 321 HD12 LEU 44 HD12 LEU 44 1.407 8.537 -1.988 322 HD13 LEU 44 HD13 LEU 44 3.027 8.384 -1.307 323 HD21 LEU 44 HD21 LEU 44 4.123 11.135 -2.062 324 HD22 LEU 44 HD22 LEU 44 4.226 10.383 -0.469 325 HD23 LEU 44 HD23 LEU 44 3.509 11.985 -0.644 326 HA PRO 45 HA PRO 45 -1.525 12.495 -6.098 327 HB2 PRO 45 HB2 PRO 45 -3.141 10.353 -6.398 328 HB3 PRO 45 HB1 PRO 45 -1.730 10.633 -7.431 329 HG2 PRO 45 HG2 PRO 45 -2.113 8.695 -5.230 330 HG3 PRO 45 HG1 PRO 45 -1.078 8.584 -6.660 331 HD2 PRO 45 HD2 PRO 45 -0.255 9.240 -4.048 332 HD3 PRO 45 HD1 PRO 45 0.699 9.420 -5.530 333 H GLN 46 HN GLN 46 -4.087 11.915 -5.848 334 HA GLN 46 HA GLN 46 -4.649 12.275 -2.994 335 HB2 GLN 46 HB2 GLN 46 -6.628 13.540 -3.674 336 HB3 GLN 46 HB1 GLN 46 -5.170 14.251 -4.338 337 HG2 GLN 46 HG2 GLN 46 -7.039 12.462 -5.868 338 HG3 GLN 46 HG1 GLN 46 -7.098 14.218 -5.893 339 HE21 GLN 46 HE21 GLN 46 -5.588 11.395 -7.105 340 HE22 GLN 46 HE22 GLN 46 -4.503 12.181 -8.209 341 H GLY 47 HN GLY 47 -6.854 11.523 -2.350 342 HA2 GLY 47 HA2 GLY 47 -8.615 9.974 -2.458 343 HA3 GLY 47 HA1 GLY 47 -7.888 9.276 -3.897 344 H LEU 48 HN LEU 48 -5.856 9.853 -1.189 345 HA LEU 48 HA LEU 48 -6.039 7.070 -0.341 346 HB2 LEU 48 HB2 LEU 48 -3.459 7.218 -0.226 347 HB3 LEU 48 HB1 LEU 48 -4.242 6.882 -1.749 348 HG LEU 48 HG LEU 48 -3.928 9.227 -2.437 349 HD11 LEU 48 HD11 LEU 48 -3.918 10.319 -0.259 350 HD12 LEU 48 HD12 LEU 48 -2.453 10.700 -1.166 351 HD13 LEU 48 HD13 LEU 48 -2.397 9.519 0.143 352 HD21 LEU 48 HD21 LEU 48 -1.527 9.115 -2.762 353 HD22 LEU 48 HD22 LEU 48 -2.273 7.536 -3.006 354 HD23 LEU 48 HD23 LEU 48 -1.405 7.879 -1.511 355 H LYS 49 HN LYS 49 -7.229 8.879 1.217 356 HA LYS 49 HA LYS 49 -5.241 10.042 3.039 357 HB2 LYS 49 HB2 LYS 49 -7.006 11.425 3.897 358 HB3 LYS 49 HB1 LYS 49 -7.088 11.475 2.142 359 HG2 LYS 49 HG2 LYS 49 -8.974 10.019 2.113 360 HG3 LYS 49 HG1 LYS 49 -8.815 9.685 3.837 361 HD2 LYS 49 HD2 LYS 49 -10.603 11.246 3.551 362 HD3 LYS 49 HD1 LYS 49 -9.241 12.105 4.271 363 HE2 LYS 49 HE2 LYS 49 -10.174 13.503 2.573 364 HE3 LYS 49 HE1 LYS 49 -8.630 12.894 1.981 365 HZ1 LYS 49 HZ1 LYS 49 -11.296 11.786 1.266 366 HZ2 LYS 49 HZ2 LYS 49 -9.805 11.260 0.656 367 HZ3 LYS 49 HZ3 LYS 49 -10.371 12.814 0.286 368 H ALA 50 HN ALA 50 -5.612 9.907 5.374 369 HA ALA 50 HA ALA 50 -5.734 7.407 6.449 370 HB1 ALA 50 HB1 ALA 50 -6.639 9.978 7.741 371 HB2 ALA 50 HB2 ALA 50 -4.990 9.344 7.699 372 HB3 ALA 50 HB3 ALA 50 -6.244 8.488 8.599 373 H GLY 51 HN GLY 51 -7.274 5.948 6.070 374 HA2 GLY 51 HA2 GLY 51 -9.458 5.264 7.073 375 HA3 GLY 51 HA1 GLY 51 -10.081 6.779 6.439 376 H ASP 52 HN ASP 52 -8.411 6.420 3.952 377 HA ASP 52 HA ASP 52 -10.412 5.091 2.417 378 HB2 ASP 52 HB2 ASP 52 -7.713 6.232 1.737 379 HB3 ASP 52 HB1 ASP 52 -8.614 5.280 0.565 380 H ARG 53 HN ARG 53 -10.295 3.168 1.308 381 HA ARG 53 HA ARG 53 -8.122 1.346 2.100 382 HB2 ARG 53 HB2 ARG 53 -10.727 0.935 2.563 383 HB3 ARG 53 HB1 ARG 53 -10.650 0.296 0.927 384 HG2 ARG 53 HG2 ARG 53 -8.940 -1.288 1.592 385 HG3 ARG 53 HG1 ARG 53 -8.931 -0.619 3.226 386 HD2 ARG 53 HD2 ARG 53 -11.395 -1.205 3.326 387 HD3 ARG 53 HD1 ARG 53 -11.139 -2.123 1.843 388 HE ARG 53 HE ARG 53 -9.247 -2.939 3.753 389 HH11 ARG 53 HH11 ARG 53 -12.672 -3.122 3.106 390 HH12 ARG 53 HH12 ARG 53 -12.913 -4.564 4.041 391 HH21 ARG 53 HH21 ARG 53 -9.541 -4.840 5.011 392 HH22 ARG 53 HH22 ARG 53 -11.134 -5.541 5.124 393 H VAL 54 HN VAL 54 -6.666 1.601 0.501 394 HA VAL 54 HA VAL 54 -7.644 2.003 -2.241 395 HB VAL 54 HB VAL 54 -5.274 2.878 -2.643 396 HG11 VAL 54 HG11 VAL 54 -7.203 4.357 -2.361 397 HG12 VAL 54 HG12 VAL 54 -5.758 5.052 -1.624 398 HG13 VAL 54 HG13 VAL 54 -6.996 4.311 -0.608 399 HG21 VAL 54 HG21 VAL 54 -4.016 3.574 -0.667 400 HG22 VAL 54 HG22 VAL 54 -4.223 1.821 -0.703 401 HG23 VAL 54 HG23 VAL 54 -5.211 2.808 0.379 402 H ALA 55 HN ALA 55 -6.741 0.882 -3.950 403 HA ALA 55 HA ALA 55 -5.348 -1.601 -3.274 404 HB1 ALA 55 HB1 ALA 55 -7.357 -1.721 -4.702 405 HB2 ALA 55 HB2 ALA 55 -5.915 -2.319 -5.524 406 HB3 ALA 55 HB3 ALA 55 -6.545 -0.716 -5.901 407 H PHE 56 HN PHE 56 -3.181 -1.734 -3.538 408 HA PHE 56 HA PHE 56 -1.902 0.134 -5.392 409 HB2 PHE 56 HB2 PHE 56 -0.226 0.735 -3.622 410 HB3 PHE 56 HB1 PHE 56 -1.836 1.361 -3.350 411 HD1 PHE 56 HD1 PHE 56 -3.219 0.510 -1.547 412 HD2 PHE 56 HD2 PHE 56 0.732 -0.949 -2.166 413 HE1 PHE 56 HE1 PHE 56 -3.243 -0.486 0.701 414 HE2 PHE 56 HE2 PHE 56 0.717 -1.946 0.086 415 HZ PHE 56 HZ PHE 56 -1.271 -1.716 1.520 416 H SER 57 HN SER 57 0.437 -0.279 -5.634 417 HA SER 57 HA SER 57 1.204 -3.050 -5.031 418 HB2 SER 57 HB2 SER 57 2.327 -3.111 -7.284 419 HB3 SER 57 HB1 SER 57 0.570 -3.060 -7.360 420 HG SER 57 HG SER 57 2.215 -1.438 -8.557 421 H PHE 58 HN PHE 58 3.329 -3.310 -4.412 422 HA PHE 58 HA PHE 58 5.034 -0.919 -4.452 423 HB2 PHE 58 HB2 PHE 58 5.694 -1.287 -2.128 424 HB3 PHE 58 HB1 PHE 58 3.957 -1.031 -2.237 425 HD1 PHE 58 HD1 PHE 58 2.403 -2.903 -1.902 426 HD2 PHE 58 HD2 PHE 58 6.603 -3.365 -1.386 427 HE1 PHE 58 HE1 PHE 58 2.019 -5.001 -0.675 428 HE2 PHE 58 HE2 PHE 58 6.226 -5.465 -0.162 429 HZ PHE 58 HZ PHE 58 3.934 -6.286 0.190 430 H ARG 59 HN ARG 59 7.316 -1.409 -4.042 431 HA ARG 59 HA ARG 59 7.984 -4.157 -4.861 432 HB2 ARG 59 HB2 ARG 59 9.352 -1.557 -5.557 433 HB3 ARG 59 HB1 ARG 59 10.087 -3.134 -5.829 434 HG2 ARG 59 HG2 ARG 59 8.169 -3.742 -7.249 435 HG3 ARG 59 HG1 ARG 59 7.527 -2.115 -7.032 436 HD2 ARG 59 HD2 ARG 59 9.486 -1.169 -8.097 437 HD3 ARG 59 HD1 ARG 59 10.209 -2.772 -8.245 438 HE ARG 59 HE ARG 59 7.613 -2.456 -9.506 439 HH11 ARG 59 HH11 ARG 59 11.087 -2.220 -9.929 440 HH12 ARG 59 HH12 ARG 59 11.028 -2.525 -11.640 441 HH21 ARG 59 HH21 ARG 59 7.535 -2.876 -11.746 442 HH22 ARG 59 HH22 ARG 59 9.004 -2.881 -12.678 443 H LEU 60 HN LEU 60 9.515 -5.237 -3.766 444 HA LEU 60 HA LEU 60 10.421 -4.012 -1.261 445 HB2 LEU 60 HB2 LEU 60 10.027 -6.843 -2.164 446 HB3 LEU 60 HB1 LEU 60 11.084 -6.488 -0.813 447 HG LEU 60 HG LEU 60 8.145 -5.803 -0.957 448 HD11 LEU 60 HD11 LEU 60 7.896 -7.540 0.745 449 HD12 LEU 60 HD12 LEU 60 9.614 -7.916 0.612 450 HD13 LEU 60 HD13 LEU 60 8.539 -8.202 -0.758 451 HD21 LEU 60 HD21 LEU 60 8.433 -5.259 1.435 452 HD22 LEU 60 HD22 LEU 60 9.356 -4.192 0.378 453 HD23 LEU 60 HD23 LEU 60 10.174 -5.485 1.254 454 H ASP 61 HN ASP 61 12.531 -3.805 -0.751 455 HA ASP 61 HA ASP 61 14.474 -4.646 -2.783 456 HB2 ASP 61 HB2 ASP 61 16.074 -3.147 -1.588 457 HB3 ASP 61 HB1 ASP 61 14.689 -2.309 -2.260 458 HA PRO 62 HA PRO 62 16.228 -7.843 -0.350 459 HB2 PRO 62 HB2 PRO 62 18.924 -6.670 -0.569 460 HB3 PRO 62 HB1 PRO 62 18.316 -8.215 -1.167 461 HG2 PRO 62 HG2 PRO 62 18.853 -6.195 -2.832 462 HG3 PRO 62 HG1 PRO 62 17.483 -7.285 -3.110 463 HD2 PRO 62 HD2 PRO 62 17.501 -4.514 -1.979 464 HD3 PRO 62 HD1 PRO 62 16.371 -5.256 -3.131 465 H HIS 63 HN HIS 63 16.237 -4.727 0.804 466 HA HIS 63 HA HIS 63 17.778 -5.358 3.219 467 HB2 HIS 63 HB2 HIS 63 16.584 -2.759 2.219 468 HB3 HIS 63 HB1 HIS 63 17.426 -2.941 3.750 469 HD1 HIS 63 HD1 HIS 63 19.893 -2.548 3.687 470 HD2 HIS 63 HD2 HIS 63 18.317 -3.348 -0.077 471 HE1 HIS 63 HE1 HIS 63 21.790 -2.214 2.071 472 HE2 HIS 63 HE2 HIS 63 20.759 -2.512 -0.214 473 H GLY 64 HN GLY 64 14.666 -5.089 1.916 474 HA2 GLY 64 HA2 GLY 64 12.834 -6.200 2.973 475 HA3 GLY 64 HA1 GLY 64 13.537 -5.816 4.539 476 H MET 65 HN MET 65 13.428 -3.392 2.066 477 HA MET 65 HA MET 65 11.483 -1.941 3.720 478 HB2 MET 65 HB2 MET 65 13.124 -0.758 1.494 479 HB3 MET 65 HB1 MET 65 12.297 0.079 2.800 480 HG2 MET 65 HG2 MET 65 13.870 -1.073 4.375 481 HG3 MET 65 HG1 MET 65 14.743 -1.614 2.960 482 HE1 MET 65 HE1 MET 65 12.916 1.829 3.410 483 HE2 MET 65 HE2 MET 65 14.217 2.839 4.046 484 HE3 MET 65 HE3 MET 65 13.570 1.520 5.020 485 H ALA 66 HN ALA 66 9.846 -0.716 2.668 486 HA ALA 66 HA ALA 66 8.836 -2.173 0.322 487 HB1 ALA 66 HB1 ALA 66 7.231 -1.046 2.614 488 HB2 ALA 66 HB2 ALA 66 7.615 -2.749 2.367 489 HB3 ALA 66 HB3 ALA 66 6.585 -1.902 1.215 490 H THR 67 HN THR 67 8.930 -0.892 -1.382 491 HA THR 67 HA THR 67 8.473 1.981 -0.964 492 HB THR 67 HB THR 67 9.695 0.957 -3.487 493 HG1 THR 67 HG1 THR 67 10.657 0.220 -1.171 494 HG21 THR 67 HG21 THR 67 10.240 3.334 -1.706 495 HG22 THR 67 HG22 THR 67 9.188 3.347 -3.122 496 HG23 THR 67 HG23 THR 67 10.919 3.060 -3.314 497 H LEU 68 HN LEU 68 6.646 2.789 -1.686 498 HA LEU 68 HA LEU 68 4.748 1.165 -3.066 499 HB2 LEU 68 HB2 LEU 68 4.159 2.852 -1.344 500 HB3 LEU 68 HB1 LEU 68 4.682 4.118 -2.436 501 HG LEU 68 HG LEU 68 2.897 3.504 -4.007 502 HD11 LEU 68 HD11 LEU 68 2.731 1.143 -3.499 503 HD12 LEU 68 HD12 LEU 68 1.161 1.921 -3.300 504 HD13 LEU 68 HD13 LEU 68 2.128 1.513 -1.883 505 HD21 LEU 68 HD21 LEU 68 1.010 4.279 -2.644 506 HD22 LEU 68 HD22 LEU 68 2.471 5.217 -2.336 507 HD23 LEU 68 HD23 LEU 68 1.956 3.985 -1.183 508 H VAL 69 HN VAL 69 4.217 1.135 -5.182 509 HA VAL 69 HA VAL 69 5.825 2.834 -6.958 510 HB VAL 69 HB VAL 69 4.258 0.367 -7.713 511 HG11 VAL 69 HG11 VAL 69 6.426 1.904 -9.141 512 HG12 VAL 69 HG12 VAL 69 4.715 1.868 -9.568 513 HG13 VAL 69 HG13 VAL 69 5.691 0.405 -9.709 514 HG21 VAL 69 HG21 VAL 69 5.985 -0.197 -6.074 515 HG22 VAL 69 HG22 VAL 69 7.195 0.606 -7.078 516 HG23 VAL 69 HG23 VAL 69 6.373 -0.839 -7.672 517 H THR 70 HN THR 70 2.543 1.446 -6.771 518 HA THR 70 HA THR 70 1.460 3.980 -7.730 519 HB THR 70 HB THR 70 -0.081 2.678 -9.291 520 HG1 THR 70 HG1 THR 70 1.153 0.612 -8.291 521 HG21 THR 70 HG21 THR 70 2.855 2.810 -9.975 522 HG22 THR 70 HG22 THR 70 1.689 4.122 -10.141 523 HG23 THR 70 HG23 THR 70 1.539 2.673 -11.137 524 H VAL 71 HN VAL 71 -0.554 4.429 -6.975 525 HA VAL 71 HA VAL 71 -1.981 2.316 -5.509 526 HB VAL 71 HB VAL 71 -0.752 3.867 -3.925 527 HG11 VAL 71 HG11 VAL 71 -1.058 5.935 -5.221 528 HG12 VAL 71 HG12 VAL 71 -1.612 6.089 -3.552 529 HG13 VAL 71 HG13 VAL 71 -2.784 5.880 -4.854 530 HG21 VAL 71 HG21 VAL 71 -3.757 3.750 -3.785 531 HG22 VAL 71 HG22 VAL 71 -2.719 4.255 -2.448 532 HG23 VAL 71 HG23 VAL 71 -2.601 2.610 -3.088 533 H ALA 72 HN ALA 72 -4.184 2.359 -5.754 534 HA ALA 72 HA ALA 72 -5.329 4.644 -7.211 535 HB1 ALA 72 HB1 ALA 72 -6.719 3.129 -8.517 536 HB2 ALA 72 HB2 ALA 72 -5.978 1.738 -7.725 537 HB3 ALA 72 HB3 ALA 72 -5.011 2.773 -8.774 538 HA PRO 73 HA PRO 73 -8.144 4.686 -3.836 539 HB2 PRO 73 HB2 PRO 73 -10.278 5.870 -5.060 540 HB3 PRO 73 HB1 PRO 73 -8.873 6.752 -4.445 541 HG2 PRO 73 HG2 PRO 73 -9.514 5.930 -7.245 542 HG3 PRO 73 HG1 PRO 73 -8.761 7.423 -6.657 543 HD2 PRO 73 HD2 PRO 73 -7.333 5.409 -7.772 544 HD3 PRO 73 HD1 PRO 73 -6.675 6.458 -6.498 545 H GLN 74 HN GLN 74 -8.717 2.637 -3.421 546 HA GLN 74 HA GLN 74 -10.758 1.368 -5.053 547 HB2 GLN 74 HB2 GLN 74 -9.223 -0.253 -4.558 548 HB3 GLN 74 HB1 GLN 74 -8.779 0.453 -3.015 549 HG2 GLN 74 HG2 GLN 74 -10.963 -0.368 -2.145 550 HG3 GLN 74 HG1 GLN 74 -11.181 -1.236 -3.663 551 HE21 GLN 74 HE21 GLN 74 -8.130 -0.797 -2.005 552 HE22 GLN 74 HE22 GLN 74 -7.913 -2.456 -1.600 553 H VAL 75 HN VAL 75 -12.464 0.204 -3.642 554 HA VAL 75 HA VAL 75 -13.358 2.018 -1.533 555 HB VAL 75 HB VAL 75 -14.544 2.908 -3.356 556 HG11 VAL 75 HG11 VAL 75 -14.202 1.193 -4.994 557 HG12 VAL 75 HG12 VAL 75 -15.927 1.552 -4.883 558 HG13 VAL 75 HG13 VAL 75 -15.279 0.094 -4.130 559 HG21 VAL 75 HG21 VAL 75 -16.893 2.434 -2.834 560 HG22 VAL 75 HG22 VAL 75 -15.916 2.618 -1.377 561 HG23 VAL 75 HG23 VAL 75 -16.396 1.008 -1.920 562 H GLN 76 HN GLN 76 -12.563 0.376 -0.292 563 HA GLN 76 HA GLN 76 -12.732 -1.178 1.240 564 HB2 GLN 76 HB2 GLN 76 -14.845 -1.674 2.259 565 HB3 GLN 76 HB1 GLN 76 -14.739 0.026 1.851 566 HG2 GLN 76 HG2 GLN 76 -16.880 -0.426 1.232 567 HG3 GLN 76 HG1 GLN 76 -16.048 -0.731 -0.292 568 HE21 GLN 76 HE21 GLN 76 -17.674 -2.097 -1.000 569 HE22 GLN 76 HE22 GLN 76 -17.884 -3.698 -0.355 570 H THR 77 HN THR 77 -14.196 -2.143 -1.695 571 HA THR 77 HA THR 77 -13.041 -4.795 -1.260 572 HB THR 77 HB THR 77 -15.539 -4.841 -0.727 573 HG1 THR 77 HG1 THR 77 -15.353 -6.617 -2.801 574 HG21 THR 77 HG21 THR 77 -17.065 -4.965 -2.651 575 HG22 THR 77 HG22 THR 77 -15.737 -4.525 -3.727 576 HG23 THR 77 HG23 THR 77 -16.313 -3.375 -2.521 577 H ALA 78 HN ALA 78 -13.301 -2.113 -3.057 578 HA ALA 78 HA ALA 78 -12.543 -1.451 -5.087 579 HB1 ALA 78 HB1 ALA 78 -11.269 -2.929 -6.515 580 HB2 ALA 78 HB2 ALA 78 -11.799 -4.331 -5.584 581 HB3 ALA 78 HB3 ALA 78 -10.755 -3.120 -4.838 582 H GLY 79 HN GLY 79 -13.300 -1.246 -7.204 583 HA2 GLY 79 HA2 GLY 79 -14.728 -1.734 -9.006 584 HA3 GLY 79 HA1 GLY 79 -15.458 -3.019 -8.055 585 H ALA 80 HN ALA 80 -17.570 -2.405 -8.328 586 HA ALA 80 HA ALA 80 -19.523 -1.329 -7.891 587 HB1 ALA 80 HB1 ALA 80 -17.953 0.004 -5.686 588 HB2 ALA 80 HB2 ALA 80 -18.730 -1.574 -5.571 589 HB3 ALA 80 HB3 ALA 80 -19.708 -0.123 -5.796 590 H LYS 81 HN LYS 81 -20.099 1.260 -7.030 591 HA LYS 81 HA LYS 81 -18.857 2.899 -9.129 592 HB2 LYS 81 HB2 LYS 81 -21.539 3.234 -7.780 593 HB3 LYS 81 HB1 LYS 81 -20.874 4.326 -8.986 594 HG2 LYS 81 HG2 LYS 81 -20.876 2.495 -10.620 595 HG3 LYS 81 HG1 LYS 81 -21.590 1.432 -9.408 596 HD2 LYS 81 HD2 LYS 81 -23.517 2.984 -9.251 597 HD3 LYS 81 HD1 LYS 81 -22.813 3.939 -10.557 598 HE2 LYS 81 HE2 LYS 81 -23.568 1.027 -10.760 599 HE3 LYS 81 HE1 LYS 81 -24.563 2.365 -11.327 600 HZ1 LYS 81 HZ1 LYS 81 -23.006 2.902 -12.977 601 HZ2 LYS 81 HZ2 LYS 81 -23.127 1.208 -13.028 602 HZ3 LYS 81 HZ3 LYS 81 -21.791 1.941 -12.287 603 HA PRO 82 HA PRO 82 -16.933 5.307 -5.912 604 HB2 PRO 82 HB2 PRO 82 -16.961 7.473 -7.925 605 HB3 PRO 82 HB1 PRO 82 -15.591 6.735 -7.090 606 HG2 PRO 82 HG2 PRO 82 -16.062 6.250 -9.676 607 HG3 PRO 82 HG1 PRO 82 -15.441 4.988 -8.598 608 HD2 PRO 82 HD2 PRO 82 -18.226 5.414 -9.614 609 HD3 PRO 82 HD1 PRO 82 -17.319 3.900 -9.412 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 14.093 -6.176 -7.479 2 H2 GLY 1 HT2 GLY 1 14.799 -4.962 -6.531 3 H3 GLY 1 HT3 GLY 1 13.666 -4.554 -7.726 4 HA2 GLY 1 HA1 GLY 1 13.103 -6.154 -5.296 5 HA3 GLY 1 HA2 GLY 1 12.698 -4.456 -5.508 6 HA PRO 2 HA PRO 2 9.875 -7.516 -8.134 7 HB2 PRO 2 HB2 PRO 2 8.728 -9.247 -6.352 8 HB3 PRO 2 HB1 PRO 2 10.133 -9.649 -7.344 9 HG2 PRO 2 HG2 PRO 2 10.021 -8.735 -4.498 10 HG3 PRO 2 HG1 PRO 2 11.003 -10.027 -5.216 11 HD2 PRO 2 HD2 PRO 2 12.049 -7.617 -4.671 12 HD3 PRO 2 HD1 PRO 2 12.533 -8.527 -6.119 13 H GLU 3 HN GLU 3 7.879 -6.775 -8.446 14 HA GLU 3 HA GLU 3 6.702 -5.078 -6.388 15 HB2 GLU 3 HB2 GLU 3 6.873 -4.106 -8.594 16 HB3 GLU 3 HB1 GLU 3 6.043 -5.482 -9.312 17 HG2 GLU 3 HG2 GLU 3 4.031 -4.869 -7.955 18 HG3 GLU 3 HG1 GLU 3 4.880 -3.400 -7.479 19 H HIS 4 HN HIS 4 4.917 -5.583 -5.275 20 HA HIS 4 HA HIS 4 3.345 -7.918 -6.151 21 HB2 HIS 4 HB2 HIS 4 3.927 -7.162 -3.279 22 HB3 HIS 4 HB1 HIS 4 3.022 -8.566 -3.828 23 HD1 HIS 4 HD1 HIS 4 4.491 -10.398 -5.186 24 HD2 HIS 4 HD2 HIS 4 6.602 -7.564 -2.988 25 HE1 HIS 4 HE1 HIS 4 6.806 -11.348 -4.889 26 HE2 HIS 4 HE2 HIS 4 7.988 -9.717 -3.368 27 H ARG 5 HN ARG 5 1.096 -7.778 -5.826 28 HA ARG 5 HA ARG 5 0.056 -5.084 -5.629 29 HB2 ARG 5 HB2 ARG 5 -1.398 -7.725 -5.890 30 HB3 ARG 5 HB1 ARG 5 -2.141 -6.140 -6.028 31 HG2 ARG 5 HG2 ARG 5 -0.044 -7.273 -7.872 32 HG3 ARG 5 HG1 ARG 5 -1.772 -7.175 -8.206 33 HD2 ARG 5 HD2 ARG 5 -1.664 -4.742 -8.101 34 HD3 ARG 5 HD1 ARG 5 0.056 -4.824 -7.718 35 HE ARG 5 HE ARG 5 -0.878 -6.024 -10.223 36 HH11 ARG 5 HH11 ARG 5 0.763 -3.392 -8.610 37 HH12 ARG 5 HH12 ARG 5 1.656 -2.907 -10.011 38 HH21 ARG 5 HH21 ARG 5 0.295 -5.391 -12.079 39 HH22 ARG 5 HH22 ARG 5 1.393 -4.045 -11.991 40 H ALA 6 HN ALA 6 -1.149 -4.229 -3.952 41 HA ALA 6 HA ALA 6 -1.740 -5.971 -1.674 42 HB1 ALA 6 HB1 ALA 6 0.494 -4.974 -1.306 43 HB2 ALA 6 HB2 ALA 6 -0.696 -4.496 -0.097 44 HB3 ALA 6 HB3 ALA 6 -0.246 -3.375 -1.383 45 H VAL 7 HN VAL 7 -3.625 -5.464 -0.716 46 HA VAL 7 HA VAL 7 -4.784 -2.819 -1.274 47 HB VAL 7 HB VAL 7 -7.017 -3.826 -0.934 48 HG11 VAL 7 HG11 VAL 7 -7.134 -5.005 -3.085 49 HG12 VAL 7 HG12 VAL 7 -5.373 -5.108 -3.113 50 HG13 VAL 7 HG13 VAL 7 -6.165 -3.534 -3.187 51 HG21 VAL 7 HG21 VAL 7 -5.527 -6.452 -0.927 52 HG22 VAL 7 HG22 VAL 7 -7.280 -6.260 -0.966 53 HG23 VAL 7 HG23 VAL 7 -6.366 -5.733 0.447 54 H GLY 8 HN GLY 8 -5.883 -1.777 0.442 55 HA2 GLY 8 HA2 GLY 8 -6.353 -2.824 2.979 56 HA3 GLY 8 HA1 GLY 8 -4.729 -2.154 2.998 57 H ARG 9 HN ARG 9 -5.753 -0.800 4.678 58 HA ARG 9 HA ARG 9 -7.225 1.466 3.509 59 HB2 ARG 9 HB2 ARG 9 -8.581 0.255 5.154 60 HB3 ARG 9 HB1 ARG 9 -7.296 0.409 6.343 61 HG2 ARG 9 HG2 ARG 9 -7.549 2.890 6.176 62 HG3 ARG 9 HG1 ARG 9 -8.967 2.612 5.166 63 HD2 ARG 9 HD2 ARG 9 -9.611 3.020 7.470 64 HD3 ARG 9 HD1 ARG 9 -10.025 1.378 6.984 65 HE ARG 9 HE ARG 9 -8.027 0.637 8.231 66 HH11 ARG 9 HH11 ARG 9 -9.415 3.773 8.953 67 HH12 ARG 9 HH12 ARG 9 -8.786 3.832 10.570 68 HH21 ARG 9 HH21 ARG 9 -7.184 0.698 10.355 69 HH22 ARG 9 HH22 ARG 9 -7.523 2.064 11.379 70 H ILE 10 HN ILE 10 -6.399 3.471 3.820 71 HA ILE 10 HA ILE 10 -3.684 3.715 4.606 72 HB ILE 10 HB ILE 10 -5.683 5.960 4.318 73 HG12 ILE 10 HG12 ILE 10 -5.727 4.610 2.295 74 HG13 ILE 10 HG11 ILE 10 -4.876 6.118 1.975 75 HG21 ILE 10 HG21 ILE 10 -3.698 7.289 3.784 76 HG22 ILE 10 HG22 ILE 10 -2.681 5.876 4.066 77 HG23 ILE 10 HG23 ILE 10 -3.600 6.581 5.396 78 HD11 ILE 10 HD11 ILE 10 -3.653 3.414 2.442 79 HD12 ILE 10 HD12 ILE 10 -2.742 4.916 2.251 80 HD13 ILE 10 HD13 ILE 10 -3.728 4.306 0.920 81 H GLN 11 HN GLN 11 -2.858 3.952 6.549 82 HA GLN 11 HA GLN 11 -4.593 4.322 8.839 83 HB2 GLN 11 HB2 GLN 11 -2.755 2.647 8.844 84 HB3 GLN 11 HB1 GLN 11 -1.591 3.948 8.674 85 HG2 GLN 11 HG2 GLN 11 -1.563 3.358 10.930 86 HG3 GLN 11 HG1 GLN 11 -2.482 4.858 10.850 87 HE21 GLN 11 HE21 GLN 11 -3.744 1.758 9.883 88 HE22 GLN 11 HE22 GLN 11 -4.876 1.585 11.176 89 H SER 12 HN SER 12 -1.776 5.888 7.374 90 HA SER 12 HA SER 12 -2.762 8.506 8.065 91 HB2 SER 12 HB2 SER 12 -0.115 7.606 9.222 92 HB3 SER 12 HB1 SER 12 -0.853 9.195 9.392 93 HG SER 12 HG SER 12 -2.656 7.520 10.247 94 H ILE 13 HN ILE 13 -1.445 10.205 7.097 95 HA ILE 13 HA ILE 13 0.308 9.206 4.943 96 HB ILE 13 HB ILE 13 -1.268 11.780 5.184 97 HG12 ILE 13 HG12 ILE 13 -1.293 9.547 3.144 98 HG13 ILE 13 HG11 ILE 13 -2.497 9.809 4.400 99 HG21 ILE 13 HG21 ILE 13 0.768 11.050 3.078 100 HG22 ILE 13 HG22 ILE 13 0.933 12.321 4.289 101 HG23 ILE 13 HG23 ILE 13 -0.299 12.454 3.035 102 HD11 ILE 13 HD11 ILE 13 -1.896 11.639 2.093 103 HD12 ILE 13 HD12 ILE 13 -3.071 11.959 3.369 104 HD13 ILE 13 HD13 ILE 13 -3.309 10.598 2.271 105 H GLY 14 HN GLY 14 2.401 9.749 4.974 106 HA2 GLY 14 HA2 GLY 14 3.328 11.407 7.225 107 HA3 GLY 14 HA1 GLY 14 4.261 10.142 6.444 108 H GLU 15 HN GLU 15 5.913 11.818 6.373 109 HA GLU 15 HA GLU 15 5.446 14.131 4.715 110 HB2 GLU 15 HB2 GLU 15 8.071 13.185 5.855 111 HB3 GLU 15 HB1 GLU 15 7.637 14.818 5.366 112 HG2 GLU 15 HG2 GLU 15 6.399 13.309 7.656 113 HG3 GLU 15 HG1 GLU 15 7.671 14.519 7.806 114 H ARG 16 HN ARG 16 7.184 11.085 4.479 115 HA ARG 16 HA ARG 16 7.509 11.541 1.594 116 HB2 ARG 16 HB2 ARG 16 9.710 10.080 2.047 117 HB3 ARG 16 HB1 ARG 16 9.718 11.829 2.034 118 HG2 ARG 16 HG2 ARG 16 10.966 11.090 3.931 119 HG3 ARG 16 HG1 ARG 16 9.451 11.779 4.517 120 HD2 ARG 16 HD2 ARG 16 8.524 9.474 4.651 121 HD3 ARG 16 HD1 ARG 16 10.113 8.853 4.204 122 HE ARG 16 HE ARG 16 10.405 10.544 6.425 123 HH11 ARG 16 HH11 ARG 16 8.943 7.466 5.634 124 HH12 ARG 16 HH12 ARG 16 9.182 6.792 7.215 125 HH21 ARG 16 HH21 ARG 16 10.725 9.678 8.497 126 HH22 ARG 16 HH22 ARG 16 10.211 8.058 8.849 127 H SER 17 HN SER 17 5.887 9.912 3.635 128 HA SER 17 HA SER 17 5.716 7.528 2.055 129 HB2 SER 17 HB2 SER 17 6.008 6.109 4.222 130 HB3 SER 17 HB1 SER 17 7.458 6.673 3.387 131 HG SER 17 HG SER 17 6.246 7.719 5.729 132 H LEU 18 HN LEU 18 3.911 6.095 3.034 133 HA LEU 18 HA LEU 18 2.256 7.591 4.940 134 HB2 LEU 18 HB2 LEU 18 0.637 6.012 3.115 135 HB3 LEU 18 HB1 LEU 18 0.400 7.635 3.698 136 HG LEU 18 HG LEU 18 2.359 7.092 1.488 137 HD11 LEU 18 HD11 LEU 18 0.571 7.534 -0.120 138 HD12 LEU 18 HD12 LEU 18 -0.608 7.550 1.192 139 HD13 LEU 18 HD13 LEU 18 0.257 6.064 0.803 140 HD21 LEU 18 HD21 LEU 18 2.401 9.298 2.537 141 HD22 LEU 18 HD22 LEU 18 0.674 9.485 2.228 142 HD23 LEU 18 HD23 LEU 18 1.807 9.398 0.880 143 H ILE 19 HN ILE 19 1.443 6.334 6.540 144 HA ILE 19 HA ILE 19 2.251 3.553 6.545 145 HB ILE 19 HB ILE 19 0.694 4.984 8.701 146 HG12 ILE 19 HG12 ILE 19 3.695 4.664 8.432 147 HG13 ILE 19 HG11 ILE 19 2.816 6.175 8.221 148 HG21 ILE 19 HG21 ILE 19 1.678 3.211 10.127 149 HG22 ILE 19 HG22 ILE 19 2.399 2.486 8.686 150 HG23 ILE 19 HG23 ILE 19 0.643 2.564 8.854 151 HD11 ILE 19 HD11 ILE 19 2.997 4.575 10.764 152 HD12 ILE 19 HD12 ILE 19 2.115 6.088 10.558 153 HD13 ILE 19 HD13 ILE 19 3.872 6.063 10.403 154 H ILE 20 HN ILE 20 0.981 1.951 5.938 155 HA ILE 20 HA ILE 20 -1.904 2.484 5.644 156 HB ILE 20 HB ILE 20 -0.189 0.844 3.766 157 HG12 ILE 20 HG12 ILE 20 -1.459 3.554 3.308 158 HG13 ILE 20 HG11 ILE 20 0.253 3.290 3.623 159 HG21 ILE 20 HG21 ILE 20 -2.482 0.041 3.926 160 HG22 ILE 20 HG22 ILE 20 -2.194 0.790 2.355 161 HG23 ILE 20 HG23 ILE 20 -3.088 1.665 3.598 162 HD11 ILE 20 HD11 ILE 20 0.414 1.976 1.562 163 HD12 ILE 20 HD12 ILE 20 -0.150 3.619 1.262 164 HD13 ILE 20 HD13 ILE 20 -1.295 2.278 1.250 165 H ALA 21 HN ALA 21 -3.038 1.187 6.917 166 HA ALA 21 HA ALA 21 -2.096 -1.340 7.869 167 HB1 ALA 21 HB1 ALA 21 -4.378 -1.628 8.721 168 HB2 ALA 21 HB2 ALA 21 -4.884 -0.187 7.842 169 HB3 ALA 21 HB3 ALA 21 -3.717 -0.050 9.157 170 H HIS 22 HN HIS 22 -1.571 -2.597 6.123 171 HA HIS 22 HA HIS 22 -3.525 -2.956 4.008 172 HB2 HIS 22 HB2 HIS 22 -1.769 -4.297 2.892 173 HB3 HIS 22 HB1 HIS 22 -1.230 -2.673 3.292 174 HD1 HIS 22 HD1 HIS 22 -0.953 -6.200 4.741 175 HD2 HIS 22 HD2 HIS 22 1.155 -2.614 4.562 176 HE1 HIS 22 HE1 HIS 22 1.265 -6.659 5.836 177 HE2 HIS 22 HE2 HIS 22 2.589 -4.531 5.547 178 H GLU 23 HN GLU 23 -4.217 -5.010 3.332 179 HA GLU 23 HA GLU 23 -5.084 -6.785 5.313 180 HB2 GLU 23 HB2 GLU 23 -4.808 -7.029 2.320 181 HB3 GLU 23 HB1 GLU 23 -5.514 -8.303 3.305 182 HG2 GLU 23 HG2 GLU 23 -6.548 -5.494 3.377 183 HG3 GLU 23 HG1 GLU 23 -7.099 -6.668 2.182 184 H ALA 24 HN ALA 24 -4.594 -9.328 4.489 185 HA ALA 24 HA ALA 24 -2.258 -9.989 5.841 186 HB1 ALA 24 HB1 ALA 24 -3.681 -11.686 3.805 187 HB2 ALA 24 HB2 ALA 24 -4.136 -11.536 5.501 188 HB3 ALA 24 HB3 ALA 24 -2.585 -12.252 5.066 189 H ILE 25 HN ILE 25 -2.847 -9.862 2.376 190 HA ILE 25 HA ILE 25 -1.452 -9.456 0.614 191 HB ILE 25 HB ILE 25 0.844 -9.280 2.570 192 HG12 ILE 25 HG12 ILE 25 -0.819 -7.580 3.102 193 HG13 ILE 25 HG11 ILE 25 0.599 -6.834 2.375 194 HG21 ILE 25 HG21 ILE 25 1.959 -8.040 0.755 195 HG22 ILE 25 HG22 ILE 25 0.580 -8.366 -0.294 196 HG23 ILE 25 HG23 ILE 25 1.572 -9.699 0.298 197 HD11 ILE 25 HD11 ILE 25 -1.969 -7.452 0.947 198 HD12 ILE 25 HD12 ILE 25 -0.557 -6.643 0.264 199 HD13 ILE 25 HD13 ILE 25 -1.478 -5.871 1.556 200 HA PRO 26 HA PRO 26 -0.350 -13.896 0.717 201 HB2 PRO 26 HB2 PRO 26 -1.608 -14.533 -1.583 202 HB3 PRO 26 HB1 PRO 26 -2.468 -14.409 -0.045 203 HG2 PRO 26 HG2 PRO 26 -2.297 -12.437 -2.285 204 HG3 PRO 26 HG1 PRO 26 -3.699 -12.901 -1.305 205 HD2 PRO 26 HD2 PRO 26 -2.235 -10.628 -0.878 206 HD3 PRO 26 HD1 PRO 26 -3.131 -11.472 0.399 207 H SER 27 HN SER 27 0.084 -11.314 -1.517 208 HA SER 27 HA SER 27 1.659 -12.682 -3.447 209 HB2 SER 27 HB2 SER 27 2.274 -10.266 -4.077 210 HB3 SER 27 HB1 SER 27 0.572 -10.717 -4.181 211 HG SER 27 HG SER 27 0.431 -8.921 -3.016 212 H ALA 28 HN ALA 28 2.321 -11.287 -0.358 213 HA ALA 28 HA ALA 28 5.202 -11.688 -0.827 214 HB1 ALA 28 HB1 ALA 28 3.949 -9.651 1.010 215 HB2 ALA 28 HB2 ALA 28 4.676 -9.310 -0.561 216 HB3 ALA 28 HB3 ALA 28 5.676 -9.912 0.762 217 H GLN 29 HN GLN 29 2.681 -13.090 0.539 218 HA GLN 29 HA GLN 29 2.260 -14.479 2.273 219 HB2 GLN 29 HB2 GLN 29 5.180 -14.822 1.823 220 HB3 GLN 29 HB1 GLN 29 4.483 -15.537 3.269 221 HG2 GLN 29 HG2 GLN 29 4.500 -17.200 1.591 222 HG3 GLN 29 HG1 GLN 29 2.829 -16.694 1.812 223 HE21 GLN 29 HE21 GLN 29 5.279 -14.910 0.046 224 HE22 GLN 29 HE22 GLN 29 4.551 -15.093 -1.512 225 H TRP 30 HN TRP 30 2.074 -11.936 3.038 226 HA TRP 30 HA TRP 30 3.378 -11.781 5.662 227 HB2 TRP 30 HB2 TRP 30 1.849 -9.757 4.014 228 HB3 TRP 30 HB1 TRP 30 2.268 -9.471 5.697 229 HD1 TRP 30 HD1 TRP 30 5.223 -11.118 4.821 230 HE1 TRP 30 HE1 TRP 30 7.052 -9.546 3.910 231 HE3 TRP 30 HE3 TRP 30 2.313 -7.078 3.657 232 HZ2 TRP 30 HZ2 TRP 30 7.228 -6.941 2.850 233 HZ3 TRP 30 HZ3 TRP 30 3.393 -5.086 2.704 234 HH2 TRP 30 HH2 TRP 30 5.799 -5.018 2.308 235 H GLY 31 HN GLY 31 1.804 -10.883 7.422 236 HA2 GLY 31 HA2 GLY 31 -0.777 -12.292 7.142 237 HA3 GLY 31 HA1 GLY 31 0.192 -12.413 8.599 238 H ALA 32 HN ALA 32 -0.592 -9.594 6.597 239 HA ALA 32 HA ALA 32 -1.774 -7.687 6.974 240 HB1 ALA 32 HB1 ALA 32 -3.706 -7.735 8.418 241 HB2 ALA 32 HB2 ALA 32 -3.131 -9.215 9.190 242 HB3 ALA 32 HB3 ALA 32 -3.613 -9.236 7.493 243 H MET 33 HN MET 33 -0.892 -5.918 7.757 244 HA MET 33 HA MET 33 -0.628 -5.362 10.499 245 HB2 MET 33 HB2 MET 33 1.876 -5.145 10.572 246 HB3 MET 33 HB1 MET 33 1.272 -6.795 10.557 247 HG2 MET 33 HG2 MET 33 1.765 -6.927 8.151 248 HG3 MET 33 HG1 MET 33 2.424 -5.292 8.219 249 HE1 MET 33 HE1 MET 33 3.918 -8.037 7.191 250 HE2 MET 33 HE2 MET 33 5.540 -7.730 7.811 251 HE3 MET 33 HE3 MET 33 4.625 -6.427 7.052 252 H THR 34 HN THR 34 0.215 -3.252 10.931 253 HA THR 34 HA THR 34 -0.397 -1.469 8.723 254 HB THR 34 HB THR 34 0.236 -0.747 11.592 255 HG1 THR 34 HG1 THR 34 -1.913 -0.989 12.016 256 HG21 THR 34 HG21 THR 34 -1.233 0.707 9.388 257 HG22 THR 34 HG22 THR 34 0.346 1.130 10.051 258 HG23 THR 34 HG23 THR 34 -1.097 1.264 11.055 259 H MET 35 HN MET 35 1.242 -1.101 7.399 260 HA MET 35 HA MET 35 3.925 -0.685 8.547 261 HB2 MET 35 HB2 MET 35 3.044 -1.926 5.965 262 HB3 MET 35 HB1 MET 35 4.676 -1.311 6.177 263 HG2 MET 35 HG2 MET 35 5.057 -2.840 7.994 264 HG3 MET 35 HG1 MET 35 3.390 -3.400 7.896 265 HE1 MET 35 HE1 MET 35 5.524 -2.358 4.885 266 HE2 MET 35 HE2 MET 35 6.315 -3.856 4.387 267 HE3 MET 35 HE3 MET 35 6.774 -3.077 5.902 268 H GLU 36 HN GLU 36 5.348 0.654 7.264 269 HA GLU 36 HA GLU 36 3.923 3.002 6.225 270 HB2 GLU 36 HB2 GLU 36 5.396 3.398 8.135 271 HB3 GLU 36 HB1 GLU 36 6.747 2.695 7.263 272 HG2 GLU 36 HG2 GLU 36 6.705 4.500 5.667 273 HG3 GLU 36 HG1 GLU 36 5.273 5.183 6.437 274 H PHE 37 HN PHE 37 3.942 3.361 4.112 275 HA PHE 37 HA PHE 37 5.899 1.893 2.460 276 HB2 PHE 37 HB2 PHE 37 3.166 2.998 1.804 277 HB3 PHE 37 HB1 PHE 37 4.269 2.364 0.586 278 HD1 PHE 37 HD1 PHE 37 2.114 1.518 3.434 279 HD2 PHE 37 HD2 PHE 37 4.660 0.008 0.377 280 HE1 PHE 37 HE1 PHE 37 1.262 -0.752 3.851 281 HE2 PHE 37 HE2 PHE 37 3.808 -2.265 0.788 282 HZ PHE 37 HZ PHE 37 2.110 -2.643 2.525 283 H ALA 38 HN ALA 38 7.456 2.989 1.545 284 HA ALA 38 HA ALA 38 7.695 5.808 1.900 285 HB1 ALA 38 HB1 ALA 38 9.648 4.356 1.969 286 HB2 ALA 38 HB2 ALA 38 9.816 5.563 0.693 287 HB3 ALA 38 HB3 ALA 38 9.388 3.903 0.284 288 H ALA 39 HN ALA 39 7.597 7.455 0.400 289 HA ALA 39 HA ALA 39 5.711 7.169 -1.679 290 HB1 ALA 39 HB1 ALA 39 7.683 9.391 -1.172 291 HB2 ALA 39 HB2 ALA 39 6.056 9.267 -0.501 292 HB3 ALA 39 HB3 ALA 39 6.279 9.482 -2.238 293 HA PRO 40 HA PRO 40 8.273 5.877 -5.088 294 HB2 PRO 40 HB2 PRO 40 6.620 6.740 -7.090 295 HB3 PRO 40 HB1 PRO 40 6.362 5.237 -6.197 296 HG2 PRO 40 HG2 PRO 40 5.075 7.911 -5.834 297 HG3 PRO 40 HG1 PRO 40 4.340 6.298 -5.770 298 HD2 PRO 40 HD2 PRO 40 4.950 7.701 -3.545 299 HD3 PRO 40 HD1 PRO 40 5.048 5.929 -3.600 300 HA PRO 41 HA PRO 41 10.519 9.470 -6.317 301 HB2 PRO 41 HB2 PRO 41 11.267 8.824 -8.863 302 HB3 PRO 41 HB1 PRO 41 12.013 8.131 -7.418 303 HG2 PRO 41 HG2 PRO 41 9.882 6.989 -9.187 304 HG3 PRO 41 HG1 PRO 41 11.307 6.190 -8.491 305 HD2 PRO 41 HD2 PRO 41 8.859 5.895 -7.424 306 HD3 PRO 41 HD1 PRO 41 10.318 5.960 -6.414 307 H ALA 42 HN ALA 42 7.587 8.693 -7.741 308 HA ALA 42 HA ALA 42 7.600 11.070 -9.467 309 HB1 ALA 42 HB1 ALA 42 5.617 10.121 -10.532 310 HB2 ALA 42 HB2 ALA 42 5.656 8.762 -9.409 311 HB3 ALA 42 HB3 ALA 42 6.965 8.985 -10.568 312 H GLY 43 HN GLY 43 6.899 10.361 -6.366 313 HA2 GLY 43 HA2 GLY 43 5.844 11.755 -4.831 314 HA3 GLY 43 HA1 GLY 43 5.083 12.608 -6.164 315 H LEU 44 HN LEU 44 3.574 12.092 -4.013 316 HA LEU 44 HA LEU 44 2.128 9.611 -4.403 317 HB2 LEU 44 HB2 LEU 44 1.626 11.887 -2.487 318 HB3 LEU 44 HB1 LEU 44 0.682 10.420 -2.546 319 HG LEU 44 HG LEU 44 2.102 10.115 -0.733 320 HD11 LEU 44 HD11 LEU 44 3.460 8.785 -3.067 321 HD12 LEU 44 HD12 LEU 44 2.071 8.170 -2.170 322 HD13 LEU 44 HD13 LEU 44 3.637 8.327 -1.373 323 HD21 LEU 44 HD21 LEU 44 3.579 12.022 -1.167 324 HD22 LEU 44 HD22 LEU 44 4.424 11.080 -2.395 325 HD23 LEU 44 HD23 LEU 44 4.478 10.577 -0.703 326 HA PRO 45 HA PRO 45 -1.172 11.551 -6.764 327 HB2 PRO 45 HB2 PRO 45 -2.843 9.422 -6.727 328 HB3 PRO 45 HB1 PRO 45 -1.457 9.532 -7.818 329 HG2 PRO 45 HG2 PRO 45 -1.812 7.919 -5.366 330 HG3 PRO 45 HG1 PRO 45 -0.814 7.598 -6.792 331 HD2 PRO 45 HD2 PRO 45 0.083 8.570 -4.315 332 HD3 PRO 45 HD1 PRO 45 1.001 8.554 -5.831 333 H GLN 46 HN GLN 46 -3.746 11.134 -6.395 334 HA GLN 46 HA GLN 46 -4.190 12.013 -3.638 335 HB2 GLN 46 HB2 GLN 46 -6.005 13.371 -4.450 336 HB3 GLN 46 HB1 GLN 46 -4.562 13.741 -5.376 337 HG2 GLN 46 HG2 GLN 46 -6.805 11.967 -6.292 338 HG3 GLN 46 HG1 GLN 46 -6.594 13.652 -6.743 339 HE21 GLN 46 HE21 GLN 46 -5.615 10.400 -7.253 340 HE22 GLN 46 HE22 GLN 46 -4.602 10.694 -8.630 341 H GLY 47 HN GLY 47 -6.041 11.309 -2.559 342 HA2 GLY 47 HA2 GLY 47 -8.070 10.051 -2.404 343 HA3 GLY 47 HA1 GLY 47 -7.559 9.124 -3.808 344 H LEU 48 HN LEU 48 -5.234 9.770 -1.367 345 HA LEU 48 HA LEU 48 -5.521 7.045 -0.335 346 HB2 LEU 48 HB2 LEU 48 -2.920 7.210 -0.213 347 HB3 LEU 48 HB1 LEU 48 -3.713 6.761 -1.701 348 HG LEU 48 HG LEU 48 -3.401 9.003 -2.597 349 HD11 LEU 48 HD11 LEU 48 -2.066 10.676 -1.438 350 HD12 LEU 48 HD12 LEU 48 -1.987 9.640 -0.012 351 HD13 LEU 48 HD13 LEU 48 -3.537 10.304 -0.537 352 HD21 LEU 48 HD21 LEU 48 -0.960 8.982 -2.766 353 HD22 LEU 48 HD22 LEU 48 -1.661 7.376 -2.967 354 HD23 LEU 48 HD23 LEU 48 -0.891 7.817 -1.442 355 H LYS 49 HN LYS 49 -6.684 8.982 1.124 356 HA LYS 49 HA LYS 49 -4.733 9.964 3.069 357 HB2 LYS 49 HB2 LYS 49 -7.584 10.644 2.479 358 HB3 LYS 49 HB1 LYS 49 -6.906 11.025 4.052 359 HG2 LYS 49 HG2 LYS 49 -5.037 12.183 2.678 360 HG3 LYS 49 HG1 LYS 49 -6.235 12.157 1.379 361 HD2 LYS 49 HD2 LYS 49 -7.836 13.299 2.818 362 HD3 LYS 49 HD1 LYS 49 -6.667 13.296 4.140 363 HE2 LYS 49 HE2 LYS 49 -5.150 14.665 2.719 364 HE3 LYS 49 HE1 LYS 49 -6.426 14.744 1.503 365 HZ1 LYS 49 HZ1 LYS 49 -6.448 16.712 2.886 366 HZ2 LYS 49 HZ2 LYS 49 -6.604 15.767 4.287 367 HZ3 LYS 49 HZ3 LYS 49 -7.858 15.810 3.151 368 H ALA 50 HN ALA 50 -5.179 9.803 5.349 369 HA ALA 50 HA ALA 50 -5.552 7.293 6.398 370 HB1 ALA 50 HB1 ALA 50 -6.211 9.941 7.694 371 HB2 ALA 50 HB2 ALA 50 -4.630 9.157 7.665 372 HB3 ALA 50 HB3 ALA 50 -5.967 8.413 8.545 373 H GLY 51 HN GLY 51 -7.249 6.000 6.105 374 HA2 GLY 51 HA2 GLY 51 -9.479 5.515 6.962 375 HA3 GLY 51 HA1 GLY 51 -9.933 7.154 6.523 376 H ASP 52 HN ASP 52 -8.179 6.560 3.972 377 HA ASP 52 HA ASP 52 -10.427 5.608 2.404 378 HB2 ASP 52 HB2 ASP 52 -7.690 6.633 1.671 379 HB3 ASP 52 HB1 ASP 52 -8.746 5.882 0.481 380 H ARG 53 HN ARG 53 -10.476 3.748 1.183 381 HA ARG 53 HA ARG 53 -8.424 1.757 1.816 382 HB2 ARG 53 HB2 ARG 53 -11.018 1.476 2.091 383 HB3 ARG 53 HB1 ARG 53 -10.953 1.144 0.365 384 HG2 ARG 53 HG2 ARG 53 -9.577 -0.745 0.678 385 HG3 ARG 53 HG1 ARG 53 -9.239 -0.309 2.356 386 HD2 ARG 53 HD2 ARG 53 -11.988 -0.945 1.338 387 HD3 ARG 53 HD1 ARG 53 -10.906 -2.162 2.012 388 HE ARG 53 HE ARG 53 -11.035 -1.022 4.130 389 HH11 ARG 53 HH11 ARG 53 -13.296 0.151 1.718 390 HH12 ARG 53 HH12 ARG 53 -14.423 0.747 2.886 391 HH21 ARG 53 HH21 ARG 53 -12.539 -0.264 5.660 392 HH22 ARG 53 HH22 ARG 53 -14.006 0.512 5.127 393 H VAL 54 HN VAL 54 -6.946 1.302 0.302 394 HA VAL 54 HA VAL 54 -7.520 2.152 -2.459 395 HB VAL 54 HB VAL 54 -5.091 2.837 -2.618 396 HG11 VAL 54 HG11 VAL 54 -6.895 4.472 -2.379 397 HG12 VAL 54 HG12 VAL 54 -5.439 4.996 -1.533 398 HG13 VAL 54 HG13 VAL 54 -6.796 4.332 -0.623 399 HG21 VAL 54 HG21 VAL 54 -4.326 1.567 -0.644 400 HG22 VAL 54 HG22 VAL 54 -5.231 2.670 0.396 401 HG23 VAL 54 HG23 VAL 54 -3.882 3.271 -0.568 402 H ALA 55 HN ALA 55 -6.399 1.065 -4.107 403 HA ALA 55 HA ALA 55 -5.284 -1.555 -3.338 404 HB1 ALA 55 HB1 ALA 55 -7.334 -1.626 -4.744 405 HB2 ALA 55 HB2 ALA 55 -5.928 -2.354 -5.528 406 HB3 ALA 55 HB3 ALA 55 -6.464 -0.740 -6.000 407 H PHE 56 HN PHE 56 -3.134 -1.703 -3.541 408 HA PHE 56 HA PHE 56 -1.785 0.148 -5.376 409 HB2 PHE 56 HB2 PHE 56 -0.153 0.663 -3.519 410 HB3 PHE 56 HB1 PHE 56 -1.762 1.336 -3.334 411 HD1 PHE 56 HD1 PHE 56 -3.389 0.127 -1.794 412 HD2 PHE 56 HD2 PHE 56 0.799 -0.624 -1.829 413 HE1 PHE 56 HE1 PHE 56 -3.553 -0.829 0.466 414 HE2 PHE 56 HE2 PHE 56 0.646 -1.588 0.433 415 HZ PHE 56 HZ PHE 56 -1.530 -1.691 1.584 416 H SER 57 HN SER 57 0.732 -0.254 -5.076 417 HA SER 57 HA SER 57 1.320 -3.083 -4.696 418 HB2 SER 57 HB2 SER 57 2.553 -3.229 -6.815 419 HB3 SER 57 HB1 SER 57 0.848 -2.884 -7.099 420 HG SER 57 HG SER 57 2.784 -1.584 -8.129 421 H PHE 58 HN PHE 58 3.578 -3.493 -4.371 422 HA PHE 58 HA PHE 58 5.233 -1.122 -3.940 423 HB2 PHE 58 HB2 PHE 58 5.877 -1.879 -1.695 424 HB3 PHE 58 HB1 PHE 58 4.153 -1.545 -1.782 425 HD1 PHE 58 HD2 PHE 58 6.697 -4.162 -1.457 426 HD2 PHE 58 HD1 PHE 58 2.527 -3.316 -1.575 427 HE1 PHE 58 HE2 PHE 58 6.217 -6.414 -0.588 428 HE2 PHE 58 HE1 PHE 58 2.047 -5.564 -0.702 429 HZ PHE 58 HZ PHE 58 3.886 -7.116 -0.211 430 H ARG 59 HN ARG 59 7.468 -1.533 -3.880 431 HA ARG 59 HA ARG 59 8.260 -4.216 -4.800 432 HB2 ARG 59 HB2 ARG 59 9.727 -1.574 -4.976 433 HB3 ARG 59 HB1 ARG 59 10.412 -3.120 -5.453 434 HG2 ARG 59 HG2 ARG 59 8.579 -3.349 -7.116 435 HG3 ARG 59 HG1 ARG 59 8.069 -1.709 -6.700 436 HD2 ARG 59 HD2 ARG 59 10.755 -2.525 -7.802 437 HD3 ARG 59 HD1 ARG 59 9.476 -1.697 -8.686 438 HE ARG 59 HE ARG 59 9.813 0.171 -7.035 439 HH11 ARG 59 HH11 ARG 59 12.405 -2.068 -7.829 440 HH12 ARG 59 HH12 ARG 59 13.665 -0.949 -7.405 441 HH21 ARG 59 HH21 ARG 59 11.471 1.644 -6.520 442 HH22 ARG 59 HH22 ARG 59 13.137 1.173 -6.696 443 H LEU 60 HN LEU 60 9.677 -5.419 -3.622 444 HA LEU 60 HA LEU 60 10.404 -4.322 -0.995 445 HB2 LEU 60 HB2 LEU 60 9.704 -7.067 -1.918 446 HB3 LEU 60 HB1 LEU 60 10.790 -6.889 -0.555 447 HG LEU 60 HG LEU 60 7.970 -5.824 -0.719 448 HD11 LEU 60 HD11 LEU 60 8.116 -8.258 -0.475 449 HD12 LEU 60 HD12 LEU 60 7.497 -7.489 0.987 450 HD13 LEU 60 HD13 LEU 60 9.169 -8.048 0.923 451 HD21 LEU 60 HD21 LEU 60 10.040 -5.691 1.470 452 HD22 LEU 60 HD22 LEU 60 8.332 -5.299 1.684 453 HD23 LEU 60 HD23 LEU 60 9.331 -4.334 0.595 454 H ASP 61 HN ASP 61 12.432 -3.832 -0.676 455 HA ASP 61 HA ASP 61 14.555 -4.992 -2.274 456 HB2 ASP 61 HB2 ASP 61 14.619 -3.031 0.029 457 HB3 ASP 61 HB1 ASP 61 16.053 -3.611 -0.792 458 HA PRO 62 HA PRO 62 15.668 -8.275 0.314 459 HB2 PRO 62 HB2 PRO 62 18.473 -7.437 0.610 460 HB3 PRO 62 HB1 PRO 62 17.808 -8.823 -0.258 461 HG2 PRO 62 HG2 PRO 62 18.855 -6.720 -1.557 462 HG3 PRO 62 HG1 PRO 62 17.458 -7.611 -2.195 463 HD2 PRO 62 HD2 PRO 62 17.521 -5.001 -0.707 464 HD3 PRO 62 HD1 PRO 62 16.584 -5.439 -2.153 465 H HIS 63 HN HIS 63 16.092 -5.163 1.547 466 HA HIS 63 HA HIS 63 16.898 -6.050 4.201 467 HB2 HIS 63 HB2 HIS 63 16.605 -3.410 2.856 468 HB3 HIS 63 HB1 HIS 63 16.434 -3.468 4.605 469 HD1 HIS 63 HD1 HIS 63 18.567 -4.537 5.903 470 HD2 HIS 63 HD2 HIS 63 19.177 -3.322 1.971 471 HE1 HIS 63 HE1 HIS 63 21.060 -4.340 5.630 472 HE2 HIS 63 HE2 HIS 63 21.404 -3.515 3.276 473 H GLY 64 HN GLY 64 14.080 -5.736 2.462 474 HA2 GLY 64 HA2 GLY 64 11.919 -6.201 3.274 475 HA3 GLY 64 HA1 GLY 64 12.468 -5.789 4.896 476 H MET 65 HN MET 65 13.234 -3.716 2.248 477 HA MET 65 HA MET 65 11.680 -1.570 3.426 478 HB2 MET 65 HB2 MET 65 13.616 -1.675 1.113 479 HB3 MET 65 HB1 MET 65 12.717 -0.225 1.535 480 HG2 MET 65 HG2 MET 65 14.469 -1.642 3.508 481 HG3 MET 65 HG1 MET 65 15.107 -0.446 2.386 482 HE1 MET 65 HE1 MET 65 11.818 -0.740 4.628 483 HE2 MET 65 HE2 MET 65 12.257 0.373 5.923 484 HE3 MET 65 HE3 MET 65 13.184 -1.107 5.682 485 H ALA 66 HN ALA 66 9.829 -0.754 2.614 486 HA ALA 66 HA ALA 66 8.714 -2.172 0.293 487 HB1 ALA 66 HB1 ALA 66 6.512 -1.931 1.313 488 HB2 ALA 66 HB2 ALA 66 7.225 -1.085 2.686 489 HB3 ALA 66 HB3 ALA 66 7.606 -2.784 2.401 490 H THR 67 HN THR 67 8.886 -0.805 -1.360 491 HA THR 67 HA THR 67 8.353 2.038 -0.849 492 HB THR 67 HB THR 67 9.557 1.083 -3.414 493 HG1 THR 67 HG1 THR 67 10.570 0.318 -1.166 494 HG21 THR 67 HG21 THR 67 9.986 3.479 -1.631 495 HG22 THR 67 HG22 THR 67 9.036 3.450 -3.119 496 HG23 THR 67 HG23 THR 67 10.784 3.207 -3.181 497 H LEU 68 HN LEU 68 6.617 2.958 -1.666 498 HA LEU 68 HA LEU 68 4.583 1.359 -2.845 499 HB2 LEU 68 HB2 LEU 68 4.225 3.245 -1.262 500 HB3 LEU 68 HB1 LEU 68 4.739 4.352 -2.514 501 HG LEU 68 HG LEU 68 2.801 3.717 -3.879 502 HD11 LEU 68 HD11 LEU 68 2.074 2.020 -1.496 503 HD12 LEU 68 HD12 LEU 68 2.503 1.435 -3.104 504 HD13 LEU 68 HD13 LEU 68 1.018 2.359 -2.868 505 HD21 LEU 68 HD21 LEU 68 2.658 5.615 -2.357 506 HD22 LEU 68 HD22 LEU 68 2.136 4.543 -1.057 507 HD23 LEU 68 HD23 LEU 68 1.105 4.783 -2.469 508 H VAL 69 HN VAL 69 4.210 0.973 -4.928 509 HA VAL 69 HA VAL 69 5.812 2.401 -6.926 510 HB VAL 69 HB VAL 69 4.110 -0.066 -7.329 511 HG11 VAL 69 HG11 VAL 69 6.335 1.145 -8.964 512 HG12 VAL 69 HG12 VAL 69 4.620 1.116 -9.382 513 HG13 VAL 69 HG13 VAL 69 5.539 -0.390 -9.307 514 HG21 VAL 69 HG21 VAL 69 7.044 0.138 -6.667 515 HG22 VAL 69 HG22 VAL 69 6.217 -1.338 -7.166 516 HG23 VAL 69 HG23 VAL 69 5.779 -0.553 -5.646 517 H THR 70 HN THR 70 2.491 1.220 -6.513 518 HA THR 70 HA THR 70 1.470 3.649 -7.772 519 HB THR 70 HB THR 70 -0.152 2.345 -9.136 520 HG1 THR 70 HG1 THR 70 1.395 0.158 -8.178 521 HG21 THR 70 HG21 THR 70 1.391 1.672 -10.915 522 HG22 THR 70 HG22 THR 70 2.736 1.751 -9.779 523 HG23 THR 70 HG23 THR 70 1.858 3.219 -10.209 524 H VAL 71 HN VAL 71 -0.832 3.978 -7.302 525 HA VAL 71 HA VAL 71 -2.128 2.167 -5.480 526 HB VAL 71 HB VAL 71 -0.690 3.512 -3.936 527 HG11 VAL 71 HG11 VAL 71 -2.450 5.809 -4.738 528 HG12 VAL 71 HG12 VAL 71 -0.752 5.628 -5.184 529 HG13 VAL 71 HG13 VAL 71 -1.206 5.818 -3.490 530 HG21 VAL 71 HG21 VAL 71 -3.670 3.829 -3.672 531 HG22 VAL 71 HG22 VAL 71 -2.518 4.139 -2.370 532 HG23 VAL 71 HG23 VAL 71 -2.671 2.515 -3.050 533 H ALA 72 HN ALA 72 -4.236 2.193 -5.866 534 HA ALA 72 HA ALA 72 -5.410 4.607 -7.078 535 HB1 ALA 72 HB1 ALA 72 -6.092 1.746 -7.768 536 HB2 ALA 72 HB2 ALA 72 -5.117 2.831 -8.759 537 HB3 ALA 72 HB3 ALA 72 -6.819 3.194 -8.467 538 HA PRO 73 HA PRO 73 -8.174 4.511 -3.578 539 HB2 PRO 73 HB2 PRO 73 -9.976 5.821 -5.557 540 HB3 PRO 73 HB1 PRO 73 -9.539 6.334 -3.923 541 HG2 PRO 73 HG2 PRO 73 -8.495 7.547 -6.051 542 HG3 PRO 73 HG1 PRO 73 -7.513 7.236 -4.606 543 HD2 PRO 73 HD2 PRO 73 -7.525 5.819 -7.235 544 HD3 PRO 73 HD1 PRO 73 -6.167 6.178 -6.150 545 H GLN 74 HN GLN 74 -9.305 2.764 -3.022 546 HA GLN 74 HA GLN 74 -10.955 1.455 -5.075 547 HB2 GLN 74 HB2 GLN 74 -10.329 -0.615 -4.340 548 HB3 GLN 74 HB1 GLN 74 -8.887 0.266 -3.860 549 HG2 GLN 74 HG2 GLN 74 -9.743 0.464 -1.599 550 HG3 GLN 74 HG1 GLN 74 -11.218 -0.364 -2.071 551 HE21 GLN 74 HE21 GLN 74 -8.064 -1.260 -3.238 552 HE22 GLN 74 HE22 GLN 74 -7.970 -2.760 -2.395 553 H VAL 75 HN VAL 75 -12.631 -0.015 -3.787 554 HA VAL 75 HA VAL 75 -13.970 1.761 -1.860 555 HB VAL 75 HB VAL 75 -16.141 1.287 -2.990 556 HG11 VAL 75 HG11 VAL 75 -14.063 2.667 -4.688 557 HG12 VAL 75 HG12 VAL 75 -14.971 3.392 -3.363 558 HG13 VAL 75 HG13 VAL 75 -15.808 2.876 -4.827 559 HG21 VAL 75 HG21 VAL 75 -16.120 0.467 -5.302 560 HG22 VAL 75 HG22 VAL 75 -15.507 -0.747 -4.179 561 HG23 VAL 75 HG23 VAL 75 -14.385 0.174 -5.179 562 H GLN 76 HN GLN 76 -12.468 -0.597 -1.400 563 HA GLN 76 HA GLN 76 -12.417 -2.684 -0.547 564 HB2 GLN 76 HB2 GLN 76 -13.725 -3.109 1.311 565 HB3 GLN 76 HB1 GLN 76 -13.770 -1.358 1.204 566 HG2 GLN 76 HG2 GLN 76 -15.977 -1.378 0.357 567 HG3 GLN 76 HG1 GLN 76 -15.933 -3.121 0.090 568 HE21 GLN 76 HE21 GLN 76 -16.165 -4.506 1.826 569 HE22 GLN 76 HE22 GLN 76 -16.742 -3.970 3.373 570 H THR 77 HN THR 77 -13.089 -4.829 -0.674 571 HA THR 77 HA THR 77 -13.914 -6.660 -1.744 572 HB THR 77 HB THR 77 -16.565 -5.226 -1.821 573 HG1 THR 77 HG1 THR 77 -15.260 -6.363 0.465 574 HG21 THR 77 HG21 THR 77 -16.492 -7.518 -2.690 575 HG22 THR 77 HG22 THR 77 -17.424 -7.437 -1.196 576 HG23 THR 77 HG23 THR 77 -15.780 -8.075 -1.176 577 H ALA 78 HN ALA 78 -12.902 -4.490 -3.475 578 HA ALA 78 HA ALA 78 -14.643 -4.424 -5.779 579 HB1 ALA 78 HB1 ALA 78 -11.846 -3.340 -5.450 580 HB2 ALA 78 HB2 ALA 78 -13.335 -2.449 -5.130 581 HB3 ALA 78 HB3 ALA 78 -12.959 -2.981 -6.769 582 H GLY 79 HN GLY 79 -11.812 -6.156 -4.730 583 HA2 GLY 79 HA2 GLY 79 -10.911 -8.100 -5.615 584 HA3 GLY 79 HA1 GLY 79 -12.044 -7.979 -6.955 585 H ALA 80 HN ALA 80 -11.568 -5.889 -8.322 586 HA ALA 80 HA ALA 80 -8.804 -5.167 -8.585 587 HB1 ALA 80 HB1 ALA 80 -8.434 -6.101 -10.797 588 HB2 ALA 80 HB2 ALA 80 -10.027 -6.854 -10.770 589 HB3 ALA 80 HB3 ALA 80 -8.779 -7.393 -9.647 590 H LYS 81 HN LYS 81 -8.558 -3.914 -10.764 591 HA LYS 81 HA LYS 81 -10.948 -2.232 -11.076 592 HB2 LYS 81 HB2 LYS 81 -9.082 -0.912 -10.442 593 HB3 LYS 81 HB1 LYS 81 -8.014 -1.747 -11.557 594 HG2 LYS 81 HG2 LYS 81 -8.557 0.532 -12.277 595 HG3 LYS 81 HG1 LYS 81 -9.065 -0.689 -13.440 596 HD2 LYS 81 HD2 LYS 81 -11.361 -0.525 -12.604 597 HD3 LYS 81 HD1 LYS 81 -10.848 0.695 -11.435 598 HE2 LYS 81 HE2 LYS 81 -11.908 1.628 -13.499 599 HE3 LYS 81 HE1 LYS 81 -10.280 2.228 -13.180 600 HZ1 LYS 81 HZ1 LYS 81 -10.668 1.636 -15.529 601 HZ2 LYS 81 HZ2 LYS 81 -10.908 0.017 -15.074 602 HZ3 LYS 81 HZ3 LYS 81 -9.400 0.754 -14.832 603 HA PRO 82 HA PRO 82 -11.089 -4.189 -15.137 604 HB2 PRO 82 HB2 PRO 82 -13.753 -4.213 -15.373 605 HB3 PRO 82 HB1 PRO 82 -12.919 -5.337 -14.296 606 HG2 PRO 82 HG2 PRO 82 -14.512 -2.926 -13.640 607 HG3 PRO 82 HG1 PRO 82 -14.251 -4.398 -12.691 608 HD2 PRO 82 HD2 PRO 82 -12.910 -1.896 -12.420 609 HD3 PRO 82 HD1 PRO 82 -12.565 -3.405 -11.555 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 12.541 -3.664 -4.883 2 H2 GLY 1 HT2 GLY 1 13.611 -3.800 -6.185 3 H3 GLY 1 HT3 GLY 1 14.163 -4.066 -4.607 4 HA2 GLY 1 HA1 GLY 1 13.868 -6.146 -5.825 5 HA3 GLY 1 HA2 GLY 1 12.834 -6.038 -4.408 6 HA PRO 2 HA PRO 2 10.180 -7.154 -8.051 7 HB2 PRO 2 HB2 PRO 2 8.850 -9.176 -6.835 8 HB3 PRO 2 HB1 PRO 2 10.407 -9.404 -7.638 9 HG2 PRO 2 HG2 PRO 2 9.800 -9.091 -4.728 10 HG3 PRO 2 HG1 PRO 2 10.941 -10.192 -5.523 11 HD2 PRO 2 HD2 PRO 2 11.699 -7.871 -4.315 12 HD3 PRO 2 HD1 PRO 2 12.572 -8.581 -5.687 13 H GLU 3 HN GLU 3 8.021 -6.672 -8.372 14 HA GLU 3 HA GLU 3 6.794 -5.037 -6.316 15 HB2 GLU 3 HB2 GLU 3 6.820 -4.233 -8.630 16 HB3 GLU 3 HB1 GLU 3 5.933 -5.660 -9.151 17 HG2 GLU 3 HG2 GLU 3 4.061 -4.937 -7.662 18 HG3 GLU 3 HG1 GLU 3 4.942 -3.437 -7.386 19 H HIS 4 HN HIS 4 5.128 -5.572 -5.086 20 HA HIS 4 HA HIS 4 3.516 -7.938 -5.785 21 HB2 HIS 4 HB2 HIS 4 4.127 -7.071 -2.951 22 HB3 HIS 4 HB1 HIS 4 3.375 -8.571 -3.482 23 HD1 HIS 4 HD1 HIS 4 5.044 -10.281 -4.775 24 HD2 HIS 4 HD2 HIS 4 6.830 -7.169 -2.662 25 HE1 HIS 4 HE1 HIS 4 7.446 -10.956 -4.461 26 HE2 HIS 4 HE2 HIS 4 8.452 -9.158 -3.006 27 H ARG 5 HN ARG 5 1.273 -7.652 -5.460 28 HA ARG 5 HA ARG 5 0.500 -4.863 -5.050 29 HB2 ARG 5 HB2 ARG 5 -1.018 -7.211 -6.178 30 HB3 ARG 5 HB1 ARG 5 -1.755 -5.640 -5.866 31 HG2 ARG 5 HG2 ARG 5 -0.006 -4.644 -7.371 32 HG3 ARG 5 HG1 ARG 5 0.456 -6.290 -7.804 33 HD2 ARG 5 HD2 ARG 5 -1.810 -6.712 -8.618 34 HD3 ARG 5 HD1 ARG 5 -2.280 -5.072 -8.163 35 HE ARG 5 HE ARG 5 -0.136 -5.549 -10.133 36 HH11 ARG 5 HH11 ARG 5 -3.229 -4.131 -9.273 37 HH12 ARG 5 HH12 ARG 5 -3.324 -3.150 -10.704 38 HH21 ARG 5 HH21 ARG 5 -0.275 -4.297 -12.035 39 HH22 ARG 5 HH22 ARG 5 -1.639 -3.244 -12.275 40 H ALA 6 HN ALA 6 -1.076 -4.217 -3.602 41 HA ALA 6 HA ALA 6 -2.126 -6.154 -1.720 42 HB1 ALA 6 HB1 ALA 6 0.071 -5.692 -0.785 43 HB2 ALA 6 HB2 ALA 6 -1.200 -5.026 0.240 44 HB3 ALA 6 HB3 ALA 6 -0.267 -3.962 -0.812 45 H VAL 7 HN VAL 7 -3.927 -5.450 -0.696 46 HA VAL 7 HA VAL 7 -4.746 -2.668 -1.168 47 HB VAL 7 HB VAL 7 -7.076 -3.426 -0.850 48 HG11 VAL 7 HG11 VAL 7 -5.549 -4.853 -3.024 49 HG12 VAL 7 HG12 VAL 7 -6.224 -3.223 -3.101 50 HG13 VAL 7 HG13 VAL 7 -7.298 -4.621 -3.000 51 HG21 VAL 7 HG21 VAL 7 -7.586 -5.834 -0.926 52 HG22 VAL 7 HG22 VAL 7 -6.686 -5.389 0.522 53 HG23 VAL 7 HG23 VAL 7 -5.862 -6.189 -0.815 54 H GLY 8 HN GLY 8 -5.683 -1.512 0.583 55 HA2 GLY 8 HA2 GLY 8 -6.034 -2.681 3.150 56 HA3 GLY 8 HA1 GLY 8 -4.484 -1.865 3.052 57 H ARG 9 HN ARG 9 -5.817 -0.817 4.888 58 HA ARG 9 HA ARG 9 -7.338 1.458 3.794 59 HB2 ARG 9 HB2 ARG 9 -8.668 0.032 5.278 60 HB3 ARG 9 HB1 ARG 9 -7.465 0.204 6.547 61 HG2 ARG 9 HG2 ARG 9 -7.952 2.562 6.745 62 HG3 ARG 9 HG1 ARG 9 -9.079 2.466 5.391 63 HD2 ARG 9 HD2 ARG 9 -9.359 0.958 7.987 64 HD3 ARG 9 HD1 ARG 9 -10.204 2.456 7.594 65 HE ARG 9 HE ARG 9 -11.010 0.996 5.576 66 HH11 ARG 9 HH11 ARG 9 -10.687 0.048 8.938 67 HH12 ARG 9 HH12 ARG 9 -11.917 -1.180 8.836 68 HH21 ARG 9 HH21 ARG 9 -12.630 -0.603 5.438 69 HH22 ARG 9 HH22 ARG 9 -13.020 -1.555 6.843 70 H ILE 10 HN ILE 10 -6.559 3.451 4.136 71 HA ILE 10 HA ILE 10 -3.860 3.760 4.911 72 HB ILE 10 HB ILE 10 -5.900 5.962 4.641 73 HG12 ILE 10 HG12 ILE 10 -5.985 4.538 2.660 74 HG13 ILE 10 HG11 ILE 10 -5.226 6.077 2.272 75 HG21 ILE 10 HG21 ILE 10 -3.948 7.307 3.978 76 HG22 ILE 10 HG22 ILE 10 -2.906 5.921 4.299 77 HG23 ILE 10 HG23 ILE 10 -3.804 6.673 5.617 78 HD11 ILE 10 HD11 ILE 10 -3.803 3.480 2.782 79 HD12 ILE 10 HD12 ILE 10 -3.033 5.022 2.406 80 HD13 ILE 10 HD13 ILE 10 -4.071 4.240 1.212 81 H GLN 11 HN GLN 11 -2.919 4.395 6.765 82 HA GLN 11 HA GLN 11 -4.628 4.875 9.097 83 HB2 GLN 11 HB2 GLN 11 -1.674 4.285 8.849 84 HB3 GLN 11 HB1 GLN 11 -2.472 4.662 10.369 85 HG2 GLN 11 HG2 GLN 11 -3.174 2.339 8.593 86 HG3 GLN 11 HG1 GLN 11 -2.131 2.251 10.012 87 HE21 GLN 11 HE21 GLN 11 -4.657 0.920 9.461 88 HE22 GLN 11 HE22 GLN 11 -5.718 1.350 10.750 89 H SER 12 HN SER 12 -1.832 6.258 7.401 90 HA SER 12 HA SER 12 -2.696 8.941 7.937 91 HB2 SER 12 HB2 SER 12 -0.152 7.935 9.240 92 HB3 SER 12 HB1 SER 12 -0.676 9.619 9.185 93 HG SER 12 HG SER 12 -2.676 8.177 10.158 94 H ILE 13 HN ILE 13 -1.682 10.425 6.592 95 HA ILE 13 HA ILE 13 0.082 9.290 4.546 96 HB ILE 13 HB ILE 13 -1.493 11.870 4.620 97 HG12 ILE 13 HG12 ILE 13 -1.743 9.387 2.914 98 HG13 ILE 13 HG11 ILE 13 -2.821 9.857 4.223 99 HG21 ILE 13 HG21 ILE 13 -0.759 12.244 2.314 100 HG22 ILE 13 HG22 ILE 13 0.301 10.837 2.424 101 HG23 ILE 13 HG23 ILE 13 0.602 12.252 3.435 102 HD11 ILE 13 HD11 ILE 13 -3.767 10.354 2.031 103 HD12 ILE 13 HD12 ILE 13 -2.389 11.398 1.677 104 HD13 ILE 13 HD13 ILE 13 -3.508 11.821 2.975 105 H GLY 14 HN GLY 14 2.091 10.088 4.113 106 HA2 GLY 14 HA2 GLY 14 3.083 12.264 5.833 107 HA3 GLY 14 HA1 GLY 14 4.024 10.800 5.576 108 H GLU 15 HN GLU 15 5.215 13.111 4.978 109 HA GLU 15 HA GLU 15 4.713 14.184 2.428 110 HB2 GLU 15 HB2 GLU 15 7.306 14.230 3.976 111 HB3 GLU 15 HB1 GLU 15 6.867 15.303 2.657 112 HG2 GLU 15 HG2 GLU 15 6.395 16.654 4.419 113 HG3 GLU 15 HG1 GLU 15 4.834 15.859 4.237 114 H ARG 16 HN ARG 16 7.046 11.704 3.467 115 HA ARG 16 HA ARG 16 7.589 11.193 0.612 116 HB2 ARG 16 HB2 ARG 16 9.680 10.194 2.362 117 HB3 ARG 16 HB1 ARG 16 9.808 11.200 0.930 118 HG2 ARG 16 HG2 ARG 16 10.755 12.498 2.599 119 HG3 ARG 16 HG1 ARG 16 9.114 13.135 2.480 120 HD2 ARG 16 HD2 ARG 16 9.851 12.838 4.813 121 HD3 ARG 16 HD1 ARG 16 8.439 11.859 4.415 122 HE ARG 16 HE ARG 16 10.857 10.400 4.051 123 HH11 ARG 16 HH11 ARG 16 8.770 11.631 6.578 124 HH12 ARG 16 HH12 ARG 16 9.037 10.272 7.632 125 HH21 ARG 16 HH21 ARG 16 11.208 8.609 5.428 126 HH22 ARG 16 HH22 ARG 16 10.403 8.543 6.972 127 H SER 17 HN SER 17 6.285 9.978 3.409 128 HA SER 17 HA SER 17 5.965 7.372 2.272 129 HB2 SER 17 HB2 SER 17 6.821 6.230 4.383 130 HB3 SER 17 HB1 SER 17 8.042 6.868 3.292 131 HG SER 17 HG SER 17 7.880 7.348 5.809 132 H LEU 18 HN LEU 18 4.336 6.150 3.381 133 HA LEU 18 HA LEU 18 2.885 7.567 5.463 134 HB2 LEU 18 HB2 LEU 18 0.746 7.126 3.980 135 HB3 LEU 18 HB1 LEU 18 1.672 8.610 3.870 136 HG LEU 18 HG LEU 18 2.941 7.253 1.975 137 HD11 LEU 18 HD11 LEU 18 0.177 6.060 1.941 138 HD12 LEU 18 HD12 LEU 18 1.674 5.196 2.287 139 HD13 LEU 18 HD13 LEU 18 1.402 5.882 0.685 140 HD21 LEU 18 HD21 LEU 18 1.456 8.337 0.360 141 HD22 LEU 18 HD22 LEU 18 1.863 9.403 1.709 142 HD23 LEU 18 HD23 LEU 18 0.280 8.622 1.644 143 H ILE 19 HN ILE 19 1.287 6.336 6.517 144 HA ILE 19 HA ILE 19 2.093 3.533 6.574 145 HB ILE 19 HB ILE 19 0.483 5.120 8.577 146 HG12 ILE 19 HG12 ILE 19 3.377 4.237 8.627 147 HG13 ILE 19 HG11 ILE 19 2.817 5.888 8.401 148 HG21 ILE 19 HG21 ILE 19 -0.093 2.798 8.728 149 HG22 ILE 19 HG22 ILE 19 0.974 3.191 10.077 150 HG23 ILE 19 HG23 ILE 19 1.606 2.328 8.674 151 HD11 ILE 19 HD11 ILE 19 1.865 5.868 10.650 152 HD12 ILE 19 HD12 ILE 19 3.594 5.513 10.671 153 HD13 ILE 19 HD13 ILE 19 2.427 4.209 10.871 154 H ILE 20 HN ILE 20 0.849 1.965 5.851 155 HA ILE 20 HA ILE 20 -2.040 2.468 5.550 156 HB ILE 20 HB ILE 20 -0.294 0.897 3.643 157 HG12 ILE 20 HG12 ILE 20 -1.716 3.528 3.201 158 HG13 ILE 20 HG11 ILE 20 0.002 3.375 3.541 159 HG21 ILE 20 HG21 ILE 20 -2.328 0.795 2.249 160 HG22 ILE 20 HG22 ILE 20 -3.237 1.553 3.555 161 HG23 ILE 20 HG23 ILE 20 -2.520 -0.040 3.790 162 HD11 ILE 20 HD11 ILE 20 -0.443 3.689 1.165 163 HD12 ILE 20 HD12 ILE 20 -1.415 2.216 1.154 164 HD13 ILE 20 HD13 ILE 20 0.317 2.130 1.486 165 H ALA 21 HN ALA 21 -3.275 1.024 6.559 166 HA ALA 21 HA ALA 21 -2.111 -1.362 7.705 167 HB1 ALA 21 HB1 ALA 21 -3.814 -0.131 8.962 168 HB2 ALA 21 HB2 ALA 21 -4.339 -1.779 8.617 169 HB3 ALA 21 HB3 ALA 21 -4.981 -0.434 7.677 170 H HIS 22 HN HIS 22 -1.493 -2.581 5.995 171 HA HIS 22 HA HIS 22 -3.375 -3.205 3.882 172 HB2 HIS 22 HB2 HIS 22 -1.501 -4.538 2.937 173 HB3 HIS 22 HB1 HIS 22 -1.061 -2.860 3.234 174 HD1 HIS 22 HD1 HIS 22 -0.602 -6.307 4.761 175 HD2 HIS 22 HD2 HIS 22 1.128 -2.520 4.847 176 HE1 HIS 22 HE1 HIS 22 1.521 -6.557 6.084 177 HE2 HIS 22 HE2 HIS 22 2.440 -4.220 6.279 178 H GLU 23 HN GLU 23 -4.082 -5.302 3.393 179 HA GLU 23 HA GLU 23 -4.668 -6.960 5.618 180 HB2 GLU 23 HB2 GLU 23 -4.900 -7.577 2.664 181 HB3 GLU 23 HB1 GLU 23 -5.685 -8.459 3.970 182 HG2 GLU 23 HG2 GLU 23 -6.895 -6.390 4.577 183 HG3 GLU 23 HG1 GLU 23 -6.179 -5.605 3.173 184 H ALA 24 HN ALA 24 -4.315 -9.540 4.576 185 HA ALA 24 HA ALA 24 -1.937 -10.237 5.776 186 HB1 ALA 24 HB1 ALA 24 -3.772 -11.795 5.402 187 HB2 ALA 24 HB2 ALA 24 -2.237 -12.455 4.835 188 HB3 ALA 24 HB3 ALA 24 -3.404 -11.812 3.676 189 H ILE 25 HN ILE 25 -2.536 -10.175 2.307 190 HA ILE 25 HA ILE 25 -1.170 -9.849 0.515 191 HB ILE 25 HB ILE 25 1.047 -9.230 2.481 192 HG12 ILE 25 HG12 ILE 25 -0.928 -7.415 1.078 193 HG13 ILE 25 HG11 ILE 25 -0.758 -7.657 2.810 194 HG21 ILE 25 HG21 ILE 25 0.774 -8.669 -0.480 195 HG22 ILE 25 HG22 ILE 25 1.875 -9.826 0.271 196 HG23 ILE 25 HG23 ILE 25 2.086 -8.098 0.550 197 HD11 ILE 25 HD11 ILE 25 1.293 -6.395 1.009 198 HD12 ILE 25 HD12 ILE 25 1.442 -6.625 2.750 199 HD13 ILE 25 HD13 ILE 25 0.207 -5.542 2.108 200 HA PRO 26 HA PRO 26 0.332 -14.134 0.958 201 HB2 PRO 26 HB2 PRO 26 -0.464 -14.910 -1.518 202 HB3 PRO 26 HB1 PRO 26 -1.553 -14.884 -0.127 203 HG2 PRO 26 HG2 PRO 26 -1.257 -12.894 -2.337 204 HG3 PRO 26 HG1 PRO 26 -2.734 -13.504 -1.568 205 HD2 PRO 26 HD2 PRO 26 -1.635 -11.096 -0.959 206 HD3 PRO 26 HD1 PRO 26 -2.553 -12.062 0.213 207 H SER 27 HN SER 27 0.952 -11.585 -1.253 208 HA SER 27 HA SER 27 2.946 -12.884 -2.823 209 HB2 SER 27 HB2 SER 27 2.399 -9.931 -2.458 210 HB3 SER 27 HB1 SER 27 3.325 -10.663 -3.770 211 HG SER 27 HG SER 27 1.247 -11.920 -4.099 212 H ALA 28 HN ALA 28 2.946 -11.249 0.218 213 HA ALA 28 HA ALA 28 5.895 -11.222 0.204 214 HB1 ALA 28 HB1 ALA 28 5.762 -9.499 1.937 215 HB2 ALA 28 HB2 ALA 28 4.001 -9.556 1.855 216 HB3 ALA 28 HB3 ALA 28 4.931 -9.004 0.463 217 H GLN 29 HN GLN 29 3.323 -12.942 1.250 218 HA GLN 29 HA GLN 29 2.956 -14.544 2.800 219 HB2 GLN 29 HB2 GLN 29 5.945 -14.360 3.114 220 HB3 GLN 29 HB1 GLN 29 4.963 -15.535 3.967 221 HG2 GLN 29 HG2 GLN 29 5.779 -16.723 2.168 222 HG3 GLN 29 HG1 GLN 29 4.166 -16.257 1.637 223 HE21 GLN 29 HE21 GLN 29 3.944 -14.886 -0.106 224 HE22 GLN 29 HE22 GLN 29 5.283 -14.373 -1.073 225 H TRP 30 HN TRP 30 2.595 -11.850 3.547 226 HA TRP 30 HA TRP 30 3.423 -11.768 6.347 227 HB2 TRP 30 HB2 TRP 30 2.100 -9.713 4.573 228 HB3 TRP 30 HB1 TRP 30 2.328 -9.486 6.303 229 HD1 TRP 30 HD1 TRP 30 5.367 -10.979 5.999 230 HE1 TRP 30 HE1 TRP 30 7.279 -9.434 5.244 231 HE3 TRP 30 HE3 TRP 30 2.604 -7.187 3.979 232 HZ2 TRP 30 HZ2 TRP 30 7.578 -6.938 3.964 233 HZ3 TRP 30 HZ3 TRP 30 3.779 -5.254 3.014 234 HH2 TRP 30 HH2 TRP 30 6.217 -5.134 3.009 235 H GLY 31 HN GLY 31 1.599 -10.832 7.820 236 HA2 GLY 31 HA2 GLY 31 -0.839 -12.410 7.287 237 HA3 GLY 31 HA1 GLY 31 -0.059 -12.409 8.860 238 H ALA 32 HN ALA 32 -0.406 -9.599 6.821 239 HA ALA 32 HA ALA 32 -1.601 -7.679 6.963 240 HB1 ALA 32 HB1 ALA 32 -3.612 -9.010 7.239 241 HB2 ALA 32 HB2 ALA 32 -3.674 -7.563 8.247 242 HB3 ALA 32 HB3 ALA 32 -3.313 -9.131 8.974 243 H MET 33 HN MET 33 -0.835 -5.905 7.864 244 HA MET 33 HA MET 33 -0.706 -5.445 10.637 245 HB2 MET 33 HB2 MET 33 1.756 -5.298 10.896 246 HB3 MET 33 HB1 MET 33 1.184 -6.942 10.657 247 HG2 MET 33 HG2 MET 33 1.856 -6.847 8.323 248 HG3 MET 33 HG1 MET 33 2.414 -5.190 8.544 249 HE1 MET 33 HE1 MET 33 4.207 -7.533 7.325 250 HE2 MET 33 HE2 MET 33 5.743 -7.258 8.146 251 HE3 MET 33 HE3 MET 33 4.811 -5.890 7.539 252 H THR 34 HN THR 34 -0.036 -3.358 11.169 253 HA THR 34 HA THR 34 -0.446 -1.475 9.032 254 HB THR 34 HB THR 34 0.104 -1.042 11.975 255 HG1 THR 34 HG1 THR 34 -1.942 -1.485 12.234 256 HG21 THR 34 HG21 THR 34 -0.834 1.180 11.641 257 HG22 THR 34 HG22 THR 34 -1.025 0.854 9.919 258 HG23 THR 34 HG23 THR 34 0.589 0.948 10.624 259 H MET 35 HN MET 35 1.237 -1.105 7.718 260 HA MET 35 HA MET 35 3.838 -0.485 8.944 261 HB2 MET 35 HB2 MET 35 3.841 -2.786 7.976 262 HB3 MET 35 HB1 MET 35 3.471 -2.095 6.408 263 HG2 MET 35 HG2 MET 35 5.817 -2.593 6.545 264 HG3 MET 35 HG1 MET 35 5.587 -0.846 6.478 265 HE1 MET 35 HE1 MET 35 4.936 -3.200 9.481 266 HE2 MET 35 HE2 MET 35 6.441 -3.104 10.401 267 HE3 MET 35 HE3 MET 35 6.414 -3.911 8.834 268 H GLU 36 HN GLU 36 5.234 0.842 7.574 269 HA GLU 36 HA GLU 36 3.641 2.814 6.116 270 HB2 GLU 36 HB2 GLU 36 5.034 3.587 8.006 271 HB3 GLU 36 HB1 GLU 36 6.467 2.981 7.189 272 HG2 GLU 36 HG2 GLU 36 6.183 4.585 5.413 273 HG3 GLU 36 HG1 GLU 36 4.662 5.137 6.114 274 H PHE 37 HN PHE 37 4.048 3.386 4.031 275 HA PHE 37 HA PHE 37 6.009 1.738 2.555 276 HB2 PHE 37 HB2 PHE 37 3.359 2.879 1.633 277 HB3 PHE 37 HB1 PHE 37 4.520 2.084 0.574 278 HD1 PHE 37 HD1 PHE 37 2.130 1.604 3.319 279 HD2 PHE 37 HD2 PHE 37 4.780 -0.293 0.584 280 HE1 PHE 37 HE1 PHE 37 1.129 -0.574 3.866 281 HE2 PHE 37 HE2 PHE 37 3.782 -2.475 1.125 282 HZ PHE 37 HZ PHE 37 1.953 -2.616 2.766 283 H ALA 38 HN ALA 38 7.182 2.746 0.879 284 HA ALA 38 HA ALA 38 7.673 5.570 1.446 285 HB1 ALA 38 HB1 ALA 38 9.314 3.603 -0.148 286 HB2 ALA 38 HB2 ALA 38 9.569 4.022 1.545 287 HB3 ALA 38 HB3 ALA 38 9.791 5.242 0.293 288 H ALA 39 HN ALA 39 7.377 7.162 -0.002 289 HA ALA 39 HA ALA 39 5.666 6.635 -2.229 290 HB1 ALA 39 HB1 ALA 39 6.989 9.207 -1.379 291 HB2 ALA 39 HB2 ALA 39 5.414 8.628 -0.832 292 HB3 ALA 39 HB3 ALA 39 5.660 9.047 -2.528 293 HA PRO 40 HA PRO 40 8.829 6.517 -5.369 294 HB2 PRO 40 HB2 PRO 40 7.246 6.633 -7.533 295 HB3 PRO 40 HB1 PRO 40 7.267 5.205 -6.490 296 HG2 PRO 40 HG2 PRO 40 5.283 7.440 -6.600 297 HG3 PRO 40 HG1 PRO 40 5.003 5.698 -6.425 298 HD2 PRO 40 HD2 PRO 40 5.001 7.489 -4.332 299 HD3 PRO 40 HD1 PRO 40 5.331 5.754 -4.164 300 HA PRO 41 HA PRO 41 9.723 10.668 -6.675 301 HB2 PRO 41 HB2 PRO 41 10.061 9.738 -9.463 302 HB3 PRO 41 HB1 PRO 41 11.221 10.530 -8.393 303 HG2 PRO 41 HG2 PRO 41 11.432 7.935 -8.982 304 HG3 PRO 41 HG1 PRO 41 11.831 8.549 -7.367 305 HD2 PRO 41 HD2 PRO 41 9.383 7.104 -8.298 306 HD3 PRO 41 HD1 PRO 41 10.275 6.945 -6.771 307 H ALA 42 HN ALA 42 7.199 8.893 -8.123 308 HA ALA 42 HA ALA 42 6.169 10.936 -9.835 309 HB1 ALA 42 HB1 ALA 42 5.696 8.559 -10.213 310 HB2 ALA 42 HB2 ALA 42 4.217 9.503 -10.052 311 HB3 ALA 42 HB3 ALA 42 4.777 8.508 -8.709 312 H GLY 43 HN GLY 43 6.030 10.331 -6.461 313 HA2 GLY 43 HA2 GLY 43 5.201 11.780 -4.846 314 HA3 GLY 43 HA1 GLY 43 4.315 12.638 -6.099 315 H LEU 44 HN LEU 44 2.948 12.256 -3.897 316 HA LEU 44 HA LEU 44 1.387 9.797 -4.226 317 HB2 LEU 44 HB2 LEU 44 1.247 11.868 -2.045 318 HB3 LEU 44 HB1 LEU 44 0.282 10.415 -2.110 319 HG LEU 44 HG LEU 44 1.927 9.897 -0.569 320 HD11 LEU 44 HD11 LEU 44 2.976 8.897 -3.207 321 HD12 LEU 44 HD12 LEU 44 1.727 8.145 -2.216 322 HD13 LEU 44 HD13 LEU 44 3.382 8.240 -1.621 323 HD21 LEU 44 HD21 LEU 44 4.306 10.379 -0.825 324 HD22 LEU 44 HD22 LEU 44 3.339 11.851 -0.899 325 HD23 LEU 44 HD23 LEU 44 3.988 11.148 -2.381 326 HA PRO 45 HA PRO 45 -1.917 12.152 -6.120 327 HB2 PRO 45 HB2 PRO 45 -3.691 10.108 -6.226 328 HB3 PRO 45 HB1 PRO 45 -2.360 10.281 -7.375 329 HG2 PRO 45 HG2 PRO 45 -2.653 8.432 -5.077 330 HG3 PRO 45 HG1 PRO 45 -1.787 8.203 -6.605 331 HD2 PRO 45 HD2 PRO 45 -0.622 8.839 -4.144 332 HD3 PRO 45 HD1 PRO 45 0.150 9.009 -5.729 333 H GLN 46 HN GLN 46 -4.489 11.808 -5.661 334 HA GLN 46 HA GLN 46 -4.807 12.192 -2.768 335 HB2 GLN 46 HB2 GLN 46 -6.552 13.796 -3.243 336 HB3 GLN 46 HB1 GLN 46 -5.091 14.263 -4.095 337 HG2 GLN 46 HG2 GLN 46 -7.431 12.835 -5.334 338 HG3 GLN 46 HG1 GLN 46 -7.153 14.570 -5.410 339 HE21 GLN 46 HE21 GLN 46 -6.308 11.468 -6.634 340 HE22 GLN 46 HE22 GLN 46 -5.274 12.017 -7.913 341 H GLY 47 HN GLY 47 -6.893 11.569 -1.902 342 HA2 GLY 47 HA2 GLY 47 -8.921 10.323 -2.018 343 HA3 GLY 47 HA1 GLY 47 -8.349 9.587 -3.512 344 H LEU 48 HN LEU 48 -6.115 9.850 -0.918 345 HA LEU 48 HA LEU 48 -6.545 7.087 -0.111 346 HB2 LEU 48 HB2 LEU 48 -3.972 6.892 -0.317 347 HB3 LEU 48 HB1 LEU 48 -4.977 6.701 -1.730 348 HG LEU 48 HG LEU 48 -4.458 9.033 -2.391 349 HD11 LEU 48 HD11 LEU 48 -3.937 9.954 -0.187 350 HD12 LEU 48 HD12 LEU 48 -2.621 10.215 -1.332 351 HD13 LEU 48 HD13 LEU 48 -2.489 8.949 -0.112 352 HD21 LEU 48 HD21 LEU 48 -3.204 7.171 -3.305 353 HD22 LEU 48 HD22 LEU 48 -2.076 7.250 -1.951 354 HD23 LEU 48 HD23 LEU 48 -2.171 8.585 -3.099 355 H LYS 49 HN LYS 49 -7.218 9.201 1.502 356 HA LYS 49 HA LYS 49 -4.924 9.657 3.260 357 HB2 LYS 49 HB2 LYS 49 -6.364 11.321 4.400 358 HB3 LYS 49 HB1 LYS 49 -6.113 11.672 2.698 359 HG2 LYS 49 HG2 LYS 49 -8.305 10.995 2.137 360 HG3 LYS 49 HG1 LYS 49 -8.559 10.265 3.721 361 HD2 LYS 49 HD2 LYS 49 -9.743 12.370 3.596 362 HD3 LYS 49 HD1 LYS 49 -8.422 12.498 4.752 363 HE2 LYS 49 HE2 LYS 49 -8.185 13.432 1.898 364 HE3 LYS 49 HE1 LYS 49 -8.773 14.468 3.194 365 HZ1 LYS 49 HZ1 LYS 49 -6.492 14.916 2.988 366 HZ2 LYS 49 HZ2 LYS 49 -6.080 13.280 2.885 367 HZ3 LYS 49 HZ3 LYS 49 -6.612 13.923 4.361 368 H ALA 50 HN ALA 50 -5.505 9.729 5.656 369 HA ALA 50 HA ALA 50 -5.868 7.266 6.691 370 HB1 ALA 50 HB1 ALA 50 -6.415 8.310 8.813 371 HB2 ALA 50 HB2 ALA 50 -6.819 9.814 7.989 372 HB3 ALA 50 HB3 ALA 50 -5.159 9.222 7.978 373 H GLY 51 HN GLY 51 -7.425 5.821 6.422 374 HA2 GLY 51 HA2 GLY 51 -9.599 5.128 7.217 375 HA3 GLY 51 HA1 GLY 51 -10.211 6.714 6.783 376 H ASP 52 HN ASP 52 -8.467 6.335 4.201 377 HA ASP 52 HA ASP 52 -10.674 5.220 2.694 378 HB2 ASP 52 HB2 ASP 52 -8.082 6.522 1.910 379 HB3 ASP 52 HB1 ASP 52 -9.068 5.673 0.726 380 H ARG 53 HN ARG 53 -10.533 3.468 1.276 381 HA ARG 53 HA ARG 53 -8.356 1.599 1.849 382 HB2 ARG 53 HB2 ARG 53 -10.839 0.949 2.127 383 HB3 ARG 53 HB1 ARG 53 -10.870 0.897 0.369 384 HG2 ARG 53 HG2 ARG 53 -9.096 -0.776 0.372 385 HG3 ARG 53 HG1 ARG 53 -9.042 -0.712 2.135 386 HD2 ARG 53 HD2 ARG 53 -11.421 -1.414 2.169 387 HD3 ARG 53 HD1 ARG 53 -11.341 -1.626 0.420 388 HE ARG 53 HE ARG 53 -9.946 -3.245 2.446 389 HH11 ARG 53 HH11 ARG 53 -10.902 -2.740 -0.898 390 HH12 ARG 53 HH12 ARG 53 -10.484 -4.347 -1.389 391 HH21 ARG 53 HH21 ARG 53 -9.395 -5.385 1.779 392 HH22 ARG 53 HH22 ARG 53 -9.645 -5.843 0.123 393 H VAL 54 HN VAL 54 -6.840 1.355 0.349 394 HA VAL 54 HA VAL 54 -7.483 2.169 -2.407 395 HB VAL 54 HB VAL 54 -5.036 2.886 -2.564 396 HG11 VAL 54 HG11 VAL 54 -6.878 4.482 -2.466 397 HG12 VAL 54 HG12 VAL 54 -5.484 5.074 -1.562 398 HG13 VAL 54 HG13 VAL 54 -6.872 4.401 -0.705 399 HG21 VAL 54 HG21 VAL 54 -5.285 2.831 0.446 400 HG22 VAL 54 HG22 VAL 54 -3.920 3.453 -0.484 401 HG23 VAL 54 HG23 VAL 54 -4.295 1.729 -0.515 402 H ALA 55 HN ALA 55 -6.333 1.143 -4.075 403 HA ALA 55 HA ALA 55 -5.265 -1.508 -3.351 404 HB1 ALA 55 HB1 ALA 55 -6.467 -0.616 -5.982 405 HB2 ALA 55 HB2 ALA 55 -7.328 -1.514 -4.733 406 HB3 ALA 55 HB3 ALA 55 -5.953 -2.251 -5.559 407 H PHE 56 HN PHE 56 -3.098 -1.688 -3.577 408 HA PHE 56 HA PHE 56 -1.786 0.130 -5.468 409 HB2 PHE 56 HB2 PHE 56 -0.099 0.702 -3.718 410 HB3 PHE 56 HB1 PHE 56 -1.711 1.317 -3.397 411 HD1 PHE 56 HD1 PHE 56 -3.051 0.443 -1.581 412 HD2 PHE 56 HD2 PHE 56 0.888 -1.002 -2.306 413 HE1 PHE 56 HE1 PHE 56 -3.018 -0.576 0.656 414 HE2 PHE 56 HE2 PHE 56 0.927 -2.025 -0.070 415 HZ PHE 56 HZ PHE 56 -1.028 -1.813 1.415 416 H SER 57 HN SER 57 0.483 -0.318 -5.817 417 HA SER 57 HA SER 57 1.258 -3.092 -5.230 418 HB2 SER 57 HB2 SER 57 2.355 -3.193 -7.431 419 HB3 SER 57 HB1 SER 57 0.627 -2.891 -7.603 420 HG SER 57 HG SER 57 2.612 -1.479 -8.583 421 H PHE 58 HN PHE 58 3.290 -3.345 -4.460 422 HA PHE 58 HA PHE 58 5.073 -1.015 -4.475 423 HB2 PHE 58 HB2 PHE 58 5.571 -1.295 -2.113 424 HB3 PHE 58 HB1 PHE 58 3.842 -1.034 -2.320 425 HD1 PHE 58 HD1 PHE 58 2.281 -2.963 -2.126 426 HD2 PHE 58 HD2 PHE 58 6.408 -3.279 -1.139 427 HE1 PHE 58 HE1 PHE 58 1.814 -5.005 -0.841 428 HE2 PHE 58 HE2 PHE 58 5.946 -5.323 0.147 429 HZ PHE 58 HZ PHE 58 3.657 -6.232 0.228 430 H ARG 59 HN ARG 59 7.278 -1.517 -4.212 431 HA ARG 59 HA ARG 59 7.909 -4.319 -4.846 432 HB2 ARG 59 HB2 ARG 59 9.564 -1.822 -5.276 433 HB3 ARG 59 HB1 ARG 59 10.044 -3.454 -5.723 434 HG2 ARG 59 HG2 ARG 59 8.319 -3.599 -7.358 435 HG3 ARG 59 HG1 ARG 59 7.594 -2.089 -6.803 436 HD2 ARG 59 HD2 ARG 59 8.792 -1.567 -8.769 437 HD3 ARG 59 HD1 ARG 59 9.753 -0.963 -7.422 438 HE ARG 59 HE ARG 59 10.414 -3.605 -8.477 439 HH11 ARG 59 HH11 ARG 59 11.180 -0.203 -8.241 440 HH12 ARG 59 HH12 ARG 59 12.804 -0.383 -8.825 441 HH21 ARG 59 HH21 ARG 59 12.534 -3.865 -9.270 442 HH22 ARG 59 HH22 ARG 59 13.580 -2.485 -9.425 443 H LEU 60 HN LEU 60 9.454 -5.419 -3.691 444 HA LEU 60 HA LEU 60 10.158 -4.194 -1.103 445 HB2 LEU 60 HB2 LEU 60 8.991 -6.811 -1.786 446 HB3 LEU 60 HB1 LEU 60 10.275 -6.852 -0.595 447 HG LEU 60 HG LEU 60 7.749 -5.217 -0.374 448 HD11 LEU 60 HD11 LEU 60 7.296 -7.590 -0.179 449 HD12 LEU 60 HD12 LEU 60 7.170 -6.816 1.401 450 HD13 LEU 60 HD13 LEU 60 8.602 -7.763 0.994 451 HD21 LEU 60 HD21 LEU 60 9.621 -4.161 0.757 452 HD22 LEU 60 HD22 LEU 60 10.015 -5.678 1.566 453 HD23 LEU 60 HD23 LEU 60 8.503 -4.846 1.937 454 H ASP 61 HN ASP 61 12.237 -3.996 -0.722 455 HA ASP 61 HA ASP 61 14.146 -5.555 -2.301 456 HB2 ASP 61 HB2 ASP 61 14.605 -3.294 -0.352 457 HB3 ASP 61 HB1 ASP 61 15.867 -4.100 -1.260 458 HA PRO 62 HA PRO 62 15.141 -8.536 0.656 459 HB2 PRO 62 HB2 PRO 62 18.015 -7.850 0.653 460 HB3 PRO 62 HB1 PRO 62 17.210 -9.336 0.137 461 HG2 PRO 62 HG2 PRO 62 18.245 -7.650 -1.654 462 HG3 PRO 62 HG1 PRO 62 16.715 -8.494 -1.968 463 HD2 PRO 62 HD2 PRO 62 17.163 -5.675 -1.042 464 HD3 PRO 62 HD1 PRO 62 16.049 -6.274 -2.286 465 H HIS 63 HN HIS 63 16.198 -5.334 1.420 466 HA HIS 63 HA HIS 63 16.898 -5.941 4.157 467 HB2 HIS 63 HB2 HIS 63 16.687 -3.462 2.514 468 HB3 HIS 63 HB1 HIS 63 16.603 -3.309 4.262 469 HD1 HIS 63 HD1 HIS 63 18.820 -2.450 4.953 470 HD2 HIS 63 HD2 HIS 63 19.140 -5.495 2.136 471 HE1 HIS 63 HE1 HIS 63 21.286 -2.885 4.694 472 HE2 HIS 63 HE2 HIS 63 21.441 -4.857 3.137 473 H GLY 64 HN GLY 64 14.028 -5.639 2.472 474 HA2 GLY 64 HA2 GLY 64 11.868 -5.812 3.401 475 HA3 GLY 64 HA1 GLY 64 12.509 -5.243 4.940 476 H MET 65 HN MET 65 13.191 -3.716 1.894 477 HA MET 65 HA MET 65 12.059 -1.235 2.875 478 HB2 MET 65 HB2 MET 65 13.697 -1.939 0.444 479 HB3 MET 65 HB1 MET 65 12.978 -0.348 0.660 480 HG2 MET 65 HG2 MET 65 14.836 -1.636 2.627 481 HG3 MET 65 HG1 MET 65 15.357 -0.519 1.366 482 HE1 MET 65 HE1 MET 65 15.681 1.663 4.601 483 HE2 MET 65 HE2 MET 65 16.507 1.020 3.182 484 HE3 MET 65 HE3 MET 65 15.999 -0.067 4.475 485 H ALA 66 HN ALA 66 10.014 -0.869 2.607 486 HA ALA 66 HA ALA 66 8.567 -2.236 0.478 487 HB1 ALA 66 HB1 ALA 66 6.535 -1.544 1.694 488 HB2 ALA 66 HB2 ALA 66 7.543 -0.700 2.872 489 HB3 ALA 66 HB3 ALA 66 7.645 -2.455 2.720 490 H THR 67 HN THR 67 8.776 -1.136 -1.352 491 HA THR 67 HA THR 67 8.637 1.791 -1.226 492 HB THR 67 HB THR 67 9.580 0.445 -3.703 493 HG1 THR 67 HG1 THR 67 10.563 -0.275 -1.360 494 HG21 THR 67 HG21 THR 67 10.533 2.801 -2.075 495 HG22 THR 67 HG22 THR 67 9.472 2.884 -3.486 496 HG23 THR 67 HG23 THR 67 11.141 2.334 -3.665 497 H LEU 68 HN LEU 68 6.663 2.463 -1.594 498 HA LEU 68 HA LEU 68 4.710 1.017 -3.058 499 HB2 LEU 68 HB2 LEU 68 4.241 2.568 -1.175 500 HB3 LEU 68 HB1 LEU 68 4.757 3.904 -2.178 501 HG LEU 68 HG LEU 68 2.234 3.465 -1.853 502 HD11 LEU 68 HD11 LEU 68 1.762 4.366 -4.042 503 HD12 LEU 68 HD12 LEU 68 3.351 3.860 -4.619 504 HD13 LEU 68 HD13 LEU 68 3.220 5.109 -3.379 505 HD21 LEU 68 HD21 LEU 68 2.882 1.446 -3.996 506 HD22 LEU 68 HD22 LEU 68 1.261 1.978 -3.540 507 HD23 LEU 68 HD23 LEU 68 2.259 1.095 -2.384 508 H VAL 69 HN VAL 69 4.308 1.038 -5.183 509 HA VAL 69 HA VAL 69 5.915 2.834 -6.851 510 HB VAL 69 HB VAL 69 4.320 0.426 -7.728 511 HG11 VAL 69 HG11 VAL 69 5.760 0.518 -9.710 512 HG12 VAL 69 HG12 VAL 69 6.528 1.974 -9.076 513 HG13 VAL 69 HG13 VAL 69 4.819 1.998 -9.513 514 HG21 VAL 69 HG21 VAL 69 6.413 -0.818 -7.714 515 HG22 VAL 69 HG22 VAL 69 6.018 -0.235 -6.095 516 HG23 VAL 69 HG23 VAL 69 7.255 0.583 -7.054 517 H THR 70 HN THR 70 2.646 1.471 -6.742 518 HA THR 70 HA THR 70 1.546 4.017 -7.623 519 HB THR 70 HB THR 70 0.074 2.730 -9.292 520 HG1 THR 70 HG1 THR 70 1.534 0.711 -8.407 521 HG21 THR 70 HG21 THR 70 1.701 2.991 -11.097 522 HG22 THR 70 HG22 THR 70 3.004 3.089 -9.913 523 HG23 THR 70 HG23 THR 70 1.774 4.351 -9.976 524 H VAL 71 HN VAL 71 -0.546 4.351 -6.955 525 HA VAL 71 HA VAL 71 -1.945 2.136 -5.662 526 HB VAL 71 HB VAL 71 -0.813 3.246 -3.823 527 HG11 VAL 71 HG11 VAL 71 -1.204 5.580 -3.271 528 HG12 VAL 71 HG12 VAL 71 -2.163 5.771 -4.737 529 HG13 VAL 71 HG13 VAL 71 -0.436 5.423 -4.852 530 HG21 VAL 71 HG21 VAL 71 -3.004 2.425 -3.309 531 HG22 VAL 71 HG22 VAL 71 -3.750 3.891 -3.950 532 HG23 VAL 71 HG23 VAL 71 -2.778 3.970 -2.477 533 H ALA 72 HN ALA 72 -4.008 2.063 -6.235 534 HA ALA 72 HA ALA 72 -5.137 4.430 -7.574 535 HB1 ALA 72 HB1 ALA 72 -6.661 2.855 -8.693 536 HB2 ALA 72 HB2 ALA 72 -5.879 1.515 -7.853 537 HB3 ALA 72 HB3 ALA 72 -4.971 2.478 -9.018 538 HA PRO 73 HA PRO 73 -7.845 4.819 -4.024 539 HB2 PRO 73 HB2 PRO 73 -9.393 6.422 -5.993 540 HB3 PRO 73 HB1 PRO 73 -8.843 6.859 -4.371 541 HG2 PRO 73 HG2 PRO 73 -7.644 7.864 -6.525 542 HG3 PRO 73 HG1 PRO 73 -6.704 7.391 -5.096 543 HD2 PRO 73 HD2 PRO 73 -7.050 5.951 -7.698 544 HD3 PRO 73 HD1 PRO 73 -5.596 6.127 -6.693 545 H GLN 74 HN GLN 74 -8.931 3.004 -3.680 546 HA GLN 74 HA GLN 74 -10.919 2.124 -5.653 547 HB2 GLN 74 HB2 GLN 74 -10.697 -0.098 -4.852 548 HB3 GLN 74 HB1 GLN 74 -9.068 0.511 -5.097 549 HG2 GLN 74 HG2 GLN 74 -8.684 0.729 -2.807 550 HG3 GLN 74 HG1 GLN 74 -10.400 0.600 -2.420 551 HE21 GLN 74 HE21 GLN 74 -8.177 -0.921 -1.388 552 HE22 GLN 74 HE22 GLN 74 -8.529 -2.568 -1.755 553 H VAL 75 HN VAL 75 -12.534 0.592 -4.251 554 HA VAL 75 HA VAL 75 -13.589 2.284 -2.123 555 HB VAL 75 HB VAL 75 -15.901 2.099 -3.192 556 HG11 VAL 75 HG11 VAL 75 -13.812 3.793 -4.563 557 HG12 VAL 75 HG12 VAL 75 -14.671 4.202 -3.077 558 HG13 VAL 75 HG13 VAL 75 -15.553 4.078 -4.600 559 HG21 VAL 75 HG21 VAL 75 -14.231 1.513 -5.641 560 HG22 VAL 75 HG22 VAL 75 -15.951 1.909 -5.646 561 HG23 VAL 75 HG23 VAL 75 -15.389 0.421 -4.882 562 H GLN 76 HN GLN 76 -13.366 0.786 -0.576 563 HA GLN 76 HA GLN 76 -13.388 -1.203 0.487 564 HB2 GLN 76 HB2 GLN 76 -15.642 -2.372 0.525 565 HB3 GLN 76 HB1 GLN 76 -15.621 -0.695 1.031 566 HG2 GLN 76 HG2 GLN 76 -17.434 -0.561 -0.276 567 HG3 GLN 76 HG1 GLN 76 -16.250 -0.390 -1.568 568 HE21 GLN 76 HE21 GLN 76 -17.053 -3.300 0.233 569 HE22 GLN 76 HE22 GLN 76 -17.650 -4.195 -1.124 570 H THR 77 HN THR 77 -15.195 -3.500 -0.780 571 HA THR 77 HA THR 77 -12.922 -4.749 -1.993 572 HB THR 77 HB THR 77 -14.429 -6.687 -2.367 573 HG1 THR 77 HG1 THR 77 -16.516 -6.413 -2.268 574 HG21 THR 77 HG21 THR 77 -14.809 -7.190 0.011 575 HG22 THR 77 HG22 THR 77 -14.521 -5.495 0.408 576 HG23 THR 77 HG23 THR 77 -13.218 -6.479 -0.260 577 H ALA 78 HN ALA 78 -15.306 -2.730 -3.119 578 HA ALA 78 HA ALA 78 -15.951 -1.949 -5.132 579 HB1 ALA 78 HB1 ALA 78 -14.445 -2.153 -7.028 580 HB2 ALA 78 HB2 ALA 78 -13.543 -3.417 -6.195 581 HB3 ALA 78 HB3 ALA 78 -13.549 -1.772 -5.557 582 H GLY 79 HN GLY 79 -14.672 -5.098 -6.150 583 HA2 GLY 79 HA2 GLY 79 -16.378 -6.912 -6.508 584 HA3 GLY 79 HA1 GLY 79 -17.327 -5.671 -7.320 585 H ALA 80 HN ALA 80 -16.514 -4.767 -9.282 586 HA ALA 80 HA ALA 80 -14.884 -6.625 -10.821 587 HB1 ALA 80 HB1 ALA 80 -15.490 -5.231 -12.744 588 HB2 ALA 80 HB2 ALA 80 -16.301 -4.096 -11.666 589 HB3 ALA 80 HB3 ALA 80 -16.920 -5.737 -11.845 590 H LYS 81 HN LYS 81 -12.831 -6.199 -11.538 591 HA LYS 81 HA LYS 81 -11.579 -3.806 -10.366 592 HB2 LYS 81 HB2 LYS 81 -10.461 -6.521 -11.054 593 HB3 LYS 81 HB1 LYS 81 -9.420 -5.141 -10.749 594 HG2 LYS 81 HG2 LYS 81 -9.531 -6.358 -8.738 595 HG3 LYS 81 HG1 LYS 81 -10.536 -4.929 -8.505 596 HD2 LYS 81 HD2 LYS 81 -11.681 -6.823 -7.590 597 HD3 LYS 81 HD1 LYS 81 -12.527 -6.321 -9.053 598 HE2 LYS 81 HE2 LYS 81 -11.365 -8.094 -10.304 599 HE3 LYS 81 HE1 LYS 81 -10.569 -8.606 -8.817 600 HZ1 LYS 81 HZ1 LYS 81 -13.454 -8.749 -9.481 601 HZ2 LYS 81 HZ2 LYS 81 -12.874 -8.934 -7.899 602 HZ3 LYS 81 HZ3 LYS 81 -12.401 -10.022 -9.104 603 HA PRO 82 HA PRO 82 -11.061 -2.776 -14.699 604 HB2 PRO 82 HB2 PRO 82 -11.244 -0.067 -14.247 605 HB3 PRO 82 HB1 PRO 82 -12.625 -1.135 -14.501 606 HG2 PRO 82 HG2 PRO 82 -11.870 0.256 -12.101 607 HG3 PRO 82 HG1 PRO 82 -13.283 -0.776 -12.372 608 HD2 PRO 82 HD2 PRO 82 -10.713 -1.413 -11.072 609 HD3 PRO 82 HD1 PRO 82 -12.289 -2.216 -10.914 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 13.834 -5.932 -8.679 2 H2 GLY 1 HT2 GLY 1 14.613 -4.583 -8.007 3 H3 GLY 1 HT3 GLY 1 13.239 -4.371 -8.980 4 HA2 GLY 1 HA1 GLY 1 13.306 -5.713 -6.334 5 HA3 GLY 1 HA2 GLY 1 12.664 -4.105 -6.659 6 HA PRO 2 HA PRO 2 9.787 -7.811 -8.136 7 HB2 PRO 2 HB2 PRO 2 8.949 -9.034 -5.852 8 HB3 PRO 2 HB1 PRO 2 10.311 -9.617 -6.818 9 HG2 PRO 2 HG2 PRO 2 10.331 -7.901 -4.364 10 HG3 PRO 2 HG1 PRO 2 11.338 -9.317 -4.735 11 HD2 PRO 2 HD2 PRO 2 12.284 -6.832 -5.042 12 HD3 PRO 2 HD1 PRO 2 12.691 -8.110 -6.206 13 H GLU 3 HN GLU 3 8.061 -6.708 -8.613 14 HA GLU 3 HA GLU 3 6.833 -4.883 -6.706 15 HB2 GLU 3 HB2 GLU 3 7.284 -4.148 -9.020 16 HB3 GLU 3 HB1 GLU 3 6.232 -5.418 -9.624 17 HG2 GLU 3 HG2 GLU 3 4.341 -4.361 -8.447 18 HG3 GLU 3 HG1 GLU 3 5.420 -3.054 -7.956 19 H HIS 4 HN HIS 4 5.292 -5.621 -5.404 20 HA HIS 4 HA HIS 4 3.479 -7.721 -6.409 21 HB2 HIS 4 HB2 HIS 4 4.228 -7.222 -3.518 22 HB3 HIS 4 HB1 HIS 4 3.228 -8.528 -4.136 23 HD1 HIS 4 HD1 HIS 4 4.482 -10.457 -5.446 24 HD2 HIS 4 HD2 HIS 4 6.942 -7.677 -3.564 25 HE1 HIS 4 HE1 HIS 4 6.752 -11.522 -5.337 26 HE2 HIS 4 HE2 HIS 4 8.145 -9.935 -3.962 27 H ARG 5 HN ARG 5 1.279 -7.443 -5.995 28 HA ARG 5 HA ARG 5 0.498 -4.721 -5.333 29 HB2 ARG 5 HB2 ARG 5 -0.745 -6.993 -6.736 30 HB3 ARG 5 HB1 ARG 5 -1.850 -6.016 -5.775 31 HG2 ARG 5 HG2 ARG 5 -1.034 -4.006 -6.963 32 HG3 ARG 5 HG1 ARG 5 -0.048 -5.057 -7.984 33 HD2 ARG 5 HD2 ARG 5 -1.944 -6.082 -8.932 34 HD3 ARG 5 HD1 ARG 5 -3.015 -5.423 -7.696 35 HE ARG 5 HE ARG 5 -1.756 -3.342 -9.173 36 HH11 ARG 5 HH11 ARG 5 -4.254 -5.773 -9.427 37 HH12 ARG 5 HH12 ARG 5 -5.255 -4.833 -10.493 38 HH21 ARG 5 HH21 ARG 5 -3.032 -2.101 -10.594 39 HH22 ARG 5 HH22 ARG 5 -4.558 -2.726 -11.162 40 H ALA 6 HN ALA 6 -1.010 -4.187 -3.734 41 HA ALA 6 HA ALA 6 -1.793 -6.217 -1.813 42 HB1 ALA 6 HB1 ALA 6 0.429 -5.570 -1.032 43 HB2 ALA 6 HB2 ALA 6 -0.820 -5.029 0.090 44 HB3 ALA 6 HB3 ALA 6 -0.065 -3.878 -1.013 45 H VAL 7 HN VAL 7 -3.520 -5.554 -0.520 46 HA VAL 7 HA VAL 7 -4.630 -2.908 -1.161 47 HB VAL 7 HB VAL 7 -6.887 -3.866 -0.716 48 HG11 VAL 7 HG11 VAL 7 -5.338 -5.156 -2.956 49 HG12 VAL 7 HG12 VAL 7 -6.097 -3.563 -2.990 50 HG13 VAL 7 HG13 VAL 7 -7.095 -5.014 -2.869 51 HG21 VAL 7 HG21 VAL 7 -7.195 -6.285 -0.738 52 HG22 VAL 7 HG22 VAL 7 -6.186 -5.797 0.625 53 HG23 VAL 7 HG23 VAL 7 -5.448 -6.517 -0.804 54 H GLY 8 HN GLY 8 -5.594 -1.748 0.522 55 HA2 GLY 8 HA2 GLY 8 -5.965 -2.804 3.123 56 HA3 GLY 8 HA1 GLY 8 -4.436 -1.941 3.036 57 H ARG 9 HN ARG 9 -5.519 -0.626 4.685 58 HA ARG 9 HA ARG 9 -7.179 1.465 3.443 59 HB2 ARG 9 HB2 ARG 9 -8.415 -0.039 5.065 60 HB3 ARG 9 HB1 ARG 9 -7.346 0.560 6.325 61 HG2 ARG 9 HG2 ARG 9 -8.181 2.808 6.011 62 HG3 ARG 9 HG1 ARG 9 -9.194 2.266 4.669 63 HD2 ARG 9 HD2 ARG 9 -10.326 0.708 6.268 64 HD3 ARG 9 HD1 ARG 9 -9.420 1.480 7.569 65 HE ARG 9 HE ARG 9 -10.689 3.524 6.215 66 HH11 ARG 9 HH11 ARG 9 -11.656 0.637 7.934 67 HH12 ARG 9 HH12 ARG 9 -13.176 1.300 8.455 68 HH21 ARG 9 HH21 ARG 9 -12.694 4.411 6.938 69 HH22 ARG 9 HH22 ARG 9 -13.763 3.414 7.884 70 H ILE 10 HN ILE 10 -6.549 3.538 3.837 71 HA ILE 10 HA ILE 10 -3.794 3.824 4.494 72 HB ILE 10 HB ILE 10 -5.856 6.006 4.164 73 HG12 ILE 10 HG12 ILE 10 -5.726 4.555 2.190 74 HG13 ILE 10 HG11 ILE 10 -5.041 6.141 1.849 75 HG21 ILE 10 HG21 ILE 10 -3.843 6.767 5.292 76 HG22 ILE 10 HG22 ILE 10 -3.927 7.428 3.660 77 HG23 ILE 10 HG23 ILE 10 -2.846 6.079 4.010 78 HD11 ILE 10 HD11 ILE 10 -3.523 3.614 2.434 79 HD12 ILE 10 HD12 ILE 10 -2.793 5.203 2.190 80 HD13 ILE 10 HD13 ILE 10 -3.674 4.425 0.874 81 H GLN 11 HN GLN 11 -2.819 4.311 6.315 82 HA GLN 11 HA GLN 11 -4.424 4.559 8.729 83 HB2 GLN 11 HB2 GLN 11 -2.528 2.932 8.535 84 HB3 GLN 11 HB1 GLN 11 -1.426 4.295 8.409 85 HG2 GLN 11 HG2 GLN 11 -1.394 3.421 10.632 86 HG3 GLN 11 HG1 GLN 11 -2.114 5.030 10.643 87 HE21 GLN 11 HE21 GLN 11 -3.828 2.203 9.541 88 HE22 GLN 11 HE22 GLN 11 -4.944 2.129 10.856 89 H SER 12 HN SER 12 -1.629 6.198 7.242 90 HA SER 12 HA SER 12 -2.730 8.792 7.745 91 HB2 SER 12 HB2 SER 12 -0.273 7.946 9.302 92 HB3 SER 12 HB1 SER 12 -0.839 9.607 9.146 93 HG SER 12 HG SER 12 -2.805 7.896 9.974 94 H ILE 13 HN ILE 13 -1.673 10.407 6.562 95 HA ILE 13 HA ILE 13 0.202 9.414 4.551 96 HB ILE 13 HB ILE 13 -1.295 12.043 4.701 97 HG12 ILE 13 HG12 ILE 13 -1.757 9.653 2.910 98 HG13 ILE 13 HG11 ILE 13 -2.713 10.040 4.337 99 HG21 ILE 13 HG21 ILE 13 0.358 10.880 2.461 100 HG22 ILE 13 HG22 ILE 13 0.788 12.268 3.462 101 HG23 ILE 13 HG23 ILE 13 -0.600 12.360 2.378 102 HD11 ILE 13 HD11 ILE 13 -3.466 12.094 3.322 103 HD12 ILE 13 HD12 ILE 13 -3.786 10.736 2.241 104 HD13 ILE 13 HD13 ILE 13 -2.427 11.814 1.923 105 H GLY 14 HN GLY 14 2.239 10.197 4.313 106 HA2 GLY 14 HA2 GLY 14 3.174 12.121 6.339 107 HA3 GLY 14 HA1 GLY 14 4.190 10.919 5.556 108 H GLU 15 HN GLU 15 5.679 12.271 4.662 109 HA GLU 15 HA GLU 15 4.653 14.138 2.625 110 HB2 GLU 15 HB2 GLU 15 7.140 14.476 4.312 111 HB3 GLU 15 HB1 GLU 15 6.599 15.576 3.052 112 HG2 GLU 15 HG2 GLU 15 4.483 15.856 4.385 113 HG3 GLU 15 HG1 GLU 15 5.297 15.004 5.692 114 H ARG 16 HN ARG 16 6.799 11.575 3.423 115 HA ARG 16 HA ARG 16 7.623 11.455 0.613 116 HB2 ARG 16 HB2 ARG 16 9.733 10.390 2.229 117 HB3 ARG 16 HB1 ARG 16 9.799 11.648 1.012 118 HG2 ARG 16 HG2 ARG 16 10.669 12.646 2.932 119 HG3 ARG 16 HG1 ARG 16 9.002 13.229 2.872 120 HD2 ARG 16 HD2 ARG 16 9.868 12.430 5.133 121 HD3 ARG 16 HD1 ARG 16 8.319 11.783 4.595 122 HE ARG 16 HE ARG 16 10.267 9.998 3.739 123 HH11 ARG 16 HH11 ARG 16 9.139 11.242 6.818 124 HH12 ARG 16 HH12 ARG 16 9.433 9.754 7.670 125 HH21 ARG 16 HH21 ARG 16 10.635 8.054 4.839 126 HH22 ARG 16 HH22 ARG 16 10.320 7.943 6.543 127 H SER 17 HN SER 17 6.344 9.994 3.315 128 HA SER 17 HA SER 17 5.936 7.563 1.820 129 HB2 SER 17 HB2 SER 17 7.081 7.359 4.618 130 HB3 SER 17 HB1 SER 17 6.723 6.039 3.517 131 HG SER 17 HG SER 17 8.406 7.809 2.374 132 H LEU 18 HN LEU 18 4.417 6.108 3.336 133 HA LEU 18 HA LEU 18 2.964 7.586 5.320 134 HB2 LEU 18 HB2 LEU 18 0.757 7.115 3.981 135 HB3 LEU 18 HB1 LEU 18 1.668 8.592 3.758 136 HG LEU 18 HG LEU 18 2.798 7.221 1.809 137 HD11 LEU 18 HD11 LEU 18 1.194 5.753 0.693 138 HD12 LEU 18 HD12 LEU 18 0.099 5.908 2.067 139 HD13 LEU 18 HD13 LEU 18 1.665 5.124 2.271 140 HD21 LEU 18 HD21 LEU 18 1.616 9.313 1.555 141 HD22 LEU 18 HD22 LEU 18 0.065 8.477 1.669 142 HD23 LEU 18 HD23 LEU 18 1.125 8.182 0.290 143 H ILE 19 HN ILE 19 1.404 6.314 6.428 144 HA ILE 19 HA ILE 19 2.261 3.518 6.412 145 HB ILE 19 HB ILE 19 0.606 4.854 8.550 146 HG12 ILE 19 HG12 ILE 19 3.625 4.672 8.443 147 HG13 ILE 19 HG11 ILE 19 2.710 6.142 8.130 148 HG21 ILE 19 HG21 ILE 19 2.451 2.460 8.551 149 HG22 ILE 19 HG22 ILE 19 0.688 2.430 8.630 150 HG23 ILE 19 HG23 ILE 19 1.619 3.107 9.967 151 HD11 ILE 19 HD11 ILE 19 1.838 6.073 10.413 152 HD12 ILE 19 HD12 ILE 19 3.600 6.138 10.376 153 HD13 ILE 19 HD13 ILE 19 2.781 4.612 10.719 154 H ILE 20 HN ILE 20 0.909 1.877 5.989 155 HA ILE 20 HA ILE 20 -1.947 2.476 5.617 156 HB ILE 20 HB ILE 20 -0.240 0.834 3.731 157 HG12 ILE 20 HG12 ILE 20 -1.671 3.452 3.226 158 HG13 ILE 20 HG11 ILE 20 0.052 3.312 3.556 159 HG21 ILE 20 HG21 ILE 20 -2.476 -0.085 3.948 160 HG22 ILE 20 HG22 ILE 20 -2.280 0.676 2.367 161 HG23 ILE 20 HG23 ILE 20 -3.181 1.502 3.639 162 HD11 ILE 20 HD11 ILE 20 -1.411 2.124 1.205 163 HD12 ILE 20 HD12 ILE 20 0.313 1.945 1.536 164 HD13 ILE 20 HD13 ILE 20 -0.356 3.537 1.177 165 H ALA 21 HN ALA 21 -3.144 1.162 6.818 166 HA ALA 21 HA ALA 21 -2.177 -1.308 7.887 167 HB1 ALA 21 HB1 ALA 21 -5.005 -0.273 7.675 168 HB2 ALA 21 HB2 ALA 21 -3.913 -0.037 9.042 169 HB3 ALA 21 HB3 ALA 21 -4.483 -1.657 8.636 170 H HIS 22 HN HIS 22 -1.502 -2.604 6.215 171 HA HIS 22 HA HIS 22 -3.316 -3.060 3.990 172 HB2 HIS 22 HB2 HIS 22 -1.466 -4.280 2.944 173 HB3 HIS 22 HB1 HIS 22 -0.973 -2.669 3.437 174 HD1 HIS 22 HD1 HIS 22 -0.665 -6.277 4.632 175 HD2 HIS 22 HD2 HIS 22 1.280 -2.610 4.958 176 HE1 HIS 22 HE1 HIS 22 1.491 -6.754 5.835 177 HE2 HIS 22 HE2 HIS 22 2.703 -4.550 5.922 178 H GLU 23 HN GLU 23 -3.953 -5.094 3.307 179 HA GLU 23 HA GLU 23 -4.692 -6.952 5.302 180 HB2 GLU 23 HB2 GLU 23 -4.634 -7.146 2.290 181 HB3 GLU 23 HB1 GLU 23 -5.354 -8.363 3.338 182 HG2 GLU 23 HG2 GLU 23 -6.191 -5.481 3.229 183 HG3 GLU 23 HG1 GLU 23 -6.999 -6.806 2.391 184 H ALA 24 HN ALA 24 -4.215 -9.441 4.341 185 HA ALA 24 HA ALA 24 -1.668 -9.955 5.425 186 HB1 ALA 24 HB1 ALA 24 -3.536 -11.523 5.579 187 HB2 ALA 24 HB2 ALA 24 -2.095 -12.284 4.904 188 HB3 ALA 24 HB3 ALA 24 -3.423 -11.815 3.843 189 H ILE 25 HN ILE 25 -2.737 -9.618 2.125 190 HA ILE 25 HA ILE 25 -1.577 -9.362 0.173 191 HB ILE 25 HB ILE 25 0.912 -9.318 1.896 192 HG12 ILE 25 HG12 ILE 25 -0.758 -7.014 0.852 193 HG13 ILE 25 HG11 ILE 25 -0.693 -7.551 2.528 194 HG21 ILE 25 HG21 ILE 25 1.346 -9.777 -0.473 195 HG22 ILE 25 HG22 ILE 25 1.949 -8.188 -0.005 196 HG23 ILE 25 HG23 ILE 25 0.450 -8.326 -0.923 197 HD11 ILE 25 HD11 ILE 25 1.604 -6.438 0.937 198 HD12 ILE 25 HD12 ILE 25 1.678 -6.975 2.615 199 HD13 ILE 25 HD13 ILE 25 0.684 -5.585 2.176 200 HA PRO 26 HA PRO 26 -0.745 -13.854 -0.050 201 HB2 PRO 26 HB2 PRO 26 -1.793 -14.163 -2.533 202 HB3 PRO 26 HB1 PRO 26 -2.782 -14.139 -1.070 203 HG2 PRO 26 HG2 PRO 26 -2.257 -11.945 -3.034 204 HG3 PRO 26 HG1 PRO 26 -3.783 -12.417 -2.263 205 HD2 PRO 26 HD2 PRO 26 -2.306 -10.310 -1.406 206 HD3 PRO 26 HD1 PRO 26 -3.284 -11.304 -0.304 207 H SER 27 HN SER 27 0.240 -11.172 -1.912 208 HA SER 27 HA SER 27 1.958 -12.626 -3.706 209 HB2 SER 27 HB2 SER 27 1.728 -9.656 -3.167 210 HB3 SER 27 HB1 SER 27 2.602 -10.393 -4.511 211 HG SER 27 HG SER 27 0.702 -10.018 -5.423 212 H ALA 28 HN ALA 28 2.196 -11.574 -0.504 213 HA ALA 28 HA ALA 28 5.133 -11.686 -0.678 214 HB1 ALA 28 HB1 ALA 28 3.534 -9.995 1.234 215 HB2 ALA 28 HB2 ALA 28 4.352 -9.407 -0.213 216 HB3 ALA 28 HB3 ALA 28 5.292 -10.076 1.120 217 H GLN 29 HN GLN 29 2.389 -13.149 0.532 218 HA GLN 29 HA GLN 29 1.944 -14.701 2.131 219 HB2 GLN 29 HB2 GLN 29 4.841 -15.080 1.612 220 HB3 GLN 29 HB1 GLN 29 4.205 -15.805 3.080 221 HG2 GLN 29 HG2 GLN 29 4.167 -17.432 1.337 222 HG3 GLN 29 HG1 GLN 29 2.511 -16.979 1.722 223 HE21 GLN 29 HE21 GLN 29 4.711 -15.050 -0.212 224 HE22 GLN 29 HE22 GLN 29 3.856 -15.232 -1.710 225 H TRP 30 HN TRP 30 1.987 -12.100 2.937 226 HA TRP 30 HA TRP 30 3.388 -12.030 5.508 227 HB2 TRP 30 HB2 TRP 30 2.248 -9.881 3.746 228 HB3 TRP 30 HB1 TRP 30 2.590 -9.574 5.448 229 HD1 TRP 30 HD1 TRP 30 5.230 -11.822 4.551 230 HE1 TRP 30 HE1 TRP 30 7.367 -10.594 3.821 231 HE3 TRP 30 HE3 TRP 30 3.257 -7.173 3.759 232 HZ2 TRP 30 HZ2 TRP 30 8.121 -7.987 3.028 233 HZ3 TRP 30 HZ3 TRP 30 4.755 -5.367 3.022 234 HH2 TRP 30 HH2 TRP 30 7.136 -5.766 2.665 235 H GLY 31 HN GLY 31 2.154 -10.704 7.181 236 HA2 GLY 31 HA2 GLY 31 -0.603 -11.701 7.325 237 HA3 GLY 31 HA1 GLY 31 0.361 -11.164 8.698 238 H ALA 32 HN ALA 32 -2.129 -10.197 8.430 239 HA ALA 32 HA ALA 32 -2.159 -7.672 7.051 240 HB1 ALA 32 HB1 ALA 32 -4.216 -8.983 7.310 241 HB2 ALA 32 HB2 ALA 32 -4.370 -7.388 8.045 242 HB3 ALA 32 HB3 ALA 32 -4.106 -8.806 9.061 243 H MET 33 HN MET 33 -1.159 -5.939 7.806 244 HA MET 33 HA MET 33 -1.193 -5.234 10.586 245 HB2 MET 33 HB2 MET 33 1.426 -5.132 10.551 246 HB3 MET 33 HB1 MET 33 0.602 -6.626 10.978 247 HG2 MET 33 HG2 MET 33 0.992 -7.544 8.821 248 HG3 MET 33 HG1 MET 33 1.593 -6.009 8.209 249 HE1 MET 33 HE1 MET 33 4.800 -8.259 8.189 250 HE2 MET 33 HE2 MET 33 3.705 -7.262 7.229 251 HE3 MET 33 HE3 MET 33 3.154 -8.808 7.874 252 H THR 34 HN THR 34 -0.566 -3.153 10.997 253 HA THR 34 HA THR 34 -0.727 -1.370 8.762 254 HB THR 34 HB THR 34 -0.101 -0.672 11.641 255 HG1 THR 34 HG1 THR 34 -2.436 -0.338 11.744 256 HG21 THR 34 HG21 THR 34 -1.365 0.915 9.402 257 HG22 THR 34 HG22 THR 34 0.266 1.138 10.033 258 HG23 THR 34 HG23 THR 34 -1.130 1.477 11.056 259 H MET 35 HN MET 35 0.991 -1.153 7.483 260 HA MET 35 HA MET 35 3.635 -0.799 8.736 261 HB2 MET 35 HB2 MET 35 2.857 -2.337 6.289 262 HB3 MET 35 HB1 MET 35 4.473 -1.665 6.436 263 HG2 MET 35 HG2 MET 35 4.841 -2.929 8.466 264 HG3 MET 35 HG1 MET 35 3.205 -3.573 8.375 265 HE1 MET 35 HE1 MET 35 6.356 -4.359 5.117 266 HE2 MET 35 HE2 MET 35 6.665 -3.341 6.524 267 HE3 MET 35 HE3 MET 35 5.466 -2.848 5.327 268 H GLU 36 HN GLU 36 5.188 0.332 7.330 269 HA GLU 36 HA GLU 36 3.888 2.702 6.203 270 HB2 GLU 36 HB2 GLU 36 5.487 3.123 7.977 271 HB3 GLU 36 HB1 GLU 36 6.720 2.202 7.128 272 HG2 GLU 36 HG2 GLU 36 6.678 3.877 5.318 273 HG3 GLU 36 HG1 GLU 36 5.511 4.816 6.250 274 H PHE 37 HN PHE 37 4.096 3.278 4.119 275 HA PHE 37 HA PHE 37 5.906 1.683 2.426 276 HB2 PHE 37 HB2 PHE 37 3.177 2.811 1.765 277 HB3 PHE 37 HB1 PHE 37 4.279 2.135 0.567 278 HD1 PHE 37 HD2 PHE 37 4.769 -0.241 0.529 279 HD2 PHE 37 HD1 PHE 37 1.986 1.393 3.302 280 HE1 PHE 37 HE2 PHE 37 3.908 -2.499 0.987 281 HE2 PHE 37 HE1 PHE 37 1.124 -0.861 3.770 282 HZ PHE 37 HZ PHE 37 2.083 -2.812 2.609 283 H ALA 38 HN ALA 38 7.510 2.815 1.676 284 HA ALA 38 HA ALA 38 7.709 5.629 1.874 285 HB1 ALA 38 HB1 ALA 38 9.842 5.365 0.708 286 HB2 ALA 38 HB2 ALA 38 9.426 3.698 0.314 287 HB3 ALA 38 HB3 ALA 38 9.668 4.173 1.995 288 H ALA 39 HN ALA 39 7.440 7.219 0.367 289 HA ALA 39 HA ALA 39 5.762 6.515 -1.880 290 HB1 ALA 39 HB1 ALA 39 6.770 9.210 -0.977 291 HB2 ALA 39 HB2 ALA 39 5.228 8.479 -0.533 292 HB3 ALA 39 HB3 ALA 39 5.541 8.927 -2.210 293 HA PRO 40 HA PRO 40 8.921 6.567 -5.017 294 HB2 PRO 40 HB2 PRO 40 6.861 7.711 -6.785 295 HB3 PRO 40 HB1 PRO 40 7.741 6.188 -6.935 296 HG2 PRO 40 HG2 PRO 40 5.138 6.258 -6.281 297 HG3 PRO 40 HG1 PRO 40 6.239 5.037 -5.614 298 HD2 PRO 40 HD2 PRO 40 5.173 7.529 -4.347 299 HD3 PRO 40 HD1 PRO 40 5.423 5.920 -3.636 300 HA PRO 41 HA PRO 41 10.439 10.745 -5.043 301 HB2 PRO 41 HB2 PRO 41 11.649 10.699 -7.549 302 HB3 PRO 41 HB1 PRO 41 12.396 10.170 -6.039 303 HG2 PRO 41 HG2 PRO 41 11.083 8.553 -8.175 304 HG3 PRO 41 HG1 PRO 41 12.519 8.179 -7.205 305 HD2 PRO 41 HD2 PRO 41 10.152 7.039 -6.683 306 HD3 PRO 41 HD1 PRO 41 11.260 7.507 -5.374 307 H ALA 42 HN ALA 42 8.360 9.480 -7.487 308 HA ALA 42 HA ALA 42 7.858 11.867 -8.924 309 HB1 ALA 42 HB1 ALA 42 7.266 9.665 -9.796 310 HB2 ALA 42 HB2 ALA 42 5.859 10.727 -9.739 311 HB3 ALA 42 HB3 ALA 42 6.068 9.474 -8.516 312 H GLY 43 HN GLY 43 6.634 10.583 -5.904 313 HA2 GLY 43 HA2 GLY 43 5.806 12.147 -4.270 314 HA3 GLY 43 HA1 GLY 43 5.064 13.049 -5.581 315 H LEU 44 HN LEU 44 3.364 12.670 -3.754 316 HA LEU 44 HA LEU 44 1.968 10.120 -4.133 317 HB2 LEU 44 HB2 LEU 44 1.577 12.323 -2.110 318 HB3 LEU 44 HB1 LEU 44 0.525 10.932 -2.241 319 HG LEU 44 HG LEU 44 1.960 10.464 -0.452 320 HD11 LEU 44 HD11 LEU 44 3.237 8.534 -1.187 321 HD12 LEU 44 HD12 LEU 44 3.120 9.083 -2.860 322 HD13 LEU 44 HD13 LEU 44 1.666 8.597 -1.988 323 HD21 LEU 44 HD21 LEU 44 4.290 11.261 -2.186 324 HD22 LEU 44 HD22 LEU 44 4.385 10.658 -0.533 325 HD23 LEU 44 HD23 LEU 44 3.615 12.210 -0.863 326 HA PRO 45 HA PRO 45 -1.381 12.213 -6.312 327 HB2 PRO 45 HB2 PRO 45 -3.071 10.126 -6.410 328 HB3 PRO 45 HB1 PRO 45 -1.635 10.217 -7.438 329 HG2 PRO 45 HG2 PRO 45 -2.148 8.558 -5.043 330 HG3 PRO 45 HG1 PRO 45 -1.101 8.238 -6.433 331 HD2 PRO 45 HD2 PRO 45 -0.301 9.171 -3.886 332 HD3 PRO 45 HD1 PRO 45 0.699 9.072 -5.346 333 H GLN 46 HN GLN 46 -3.973 11.686 -5.947 334 HA GLN 46 HA GLN 46 -4.452 12.411 -3.142 335 HB2 GLN 46 HB2 GLN 46 -6.256 13.829 -3.891 336 HB3 GLN 46 HB1 GLN 46 -4.788 14.270 -4.742 337 HG2 GLN 46 HG2 GLN 46 -7.007 12.576 -5.863 338 HG3 GLN 46 HG1 GLN 46 -6.780 14.289 -6.177 339 HE21 GLN 46 HE21 GLN 46 -5.753 11.078 -6.893 340 HE22 GLN 46 HE22 GLN 46 -4.689 11.480 -8.209 341 H GLY 47 HN GLY 47 -6.336 11.637 -2.162 342 HA2 GLY 47 HA2 GLY 47 -8.408 10.423 -2.203 343 HA3 GLY 47 HA1 GLY 47 -7.849 9.582 -3.643 344 H LEU 48 HN LEU 48 -5.545 9.976 -1.166 345 HA LEU 48 HA LEU 48 -5.961 7.227 -0.248 346 HB2 LEU 48 HB2 LEU 48 -3.364 7.238 -0.136 347 HB3 LEU 48 HB1 LEU 48 -4.176 6.905 -1.644 348 HG LEU 48 HG LEU 48 -3.689 9.130 -2.468 349 HD11 LEU 48 HD11 LEU 48 -2.380 9.643 0.199 350 HD12 LEU 48 HD12 LEU 48 -3.849 10.409 -0.404 351 HD13 LEU 48 HD13 LEU 48 -2.307 10.707 -1.206 352 HD21 LEU 48 HD21 LEU 48 -1.252 7.883 -1.215 353 HD22 LEU 48 HD22 LEU 48 -1.270 8.992 -2.586 354 HD23 LEU 48 HD23 LEU 48 -1.995 7.392 -2.737 355 H LYS 49 HN LYS 49 -7.016 9.125 1.325 356 HA LYS 49 HA LYS 49 -4.940 10.054 3.174 357 HB2 LYS 49 HB2 LYS 49 -6.341 11.756 3.797 358 HB3 LYS 49 HB1 LYS 49 -6.970 11.463 2.184 359 HG2 LYS 49 HG2 LYS 49 -8.687 9.970 3.210 360 HG3 LYS 49 HG1 LYS 49 -8.116 10.504 4.791 361 HD2 LYS 49 HD2 LYS 49 -9.972 11.863 4.305 362 HD3 LYS 49 HD1 LYS 49 -8.557 12.870 3.982 363 HE2 LYS 49 HE2 LYS 49 -10.256 13.079 2.215 364 HE3 LYS 49 HE1 LYS 49 -8.744 12.410 1.601 365 HZ1 LYS 49 HZ1 LYS 49 -10.702 11.220 0.764 366 HZ2 LYS 49 HZ2 LYS 49 -11.128 10.800 2.353 367 HZ3 LYS 49 HZ3 LYS 49 -9.691 10.207 1.674 368 H ALA 50 HN ALA 50 -5.523 9.994 5.520 369 HA ALA 50 HA ALA 50 -5.732 7.442 6.510 370 HB1 ALA 50 HB1 ALA 50 -4.934 9.316 7.831 371 HB2 ALA 50 HB2 ALA 50 -6.238 8.482 8.679 372 HB3 ALA 50 HB3 ALA 50 -6.555 10.011 7.856 373 H GLY 51 HN GLY 51 -7.321 6.047 6.192 374 HA2 GLY 51 HA2 GLY 51 -9.529 5.411 7.056 375 HA3 GLY 51 HA1 GLY 51 -10.088 7.002 6.559 376 H ASP 52 HN ASP 52 -8.400 6.700 4.032 377 HA ASP 52 HA ASP 52 -10.525 5.664 2.428 378 HB2 ASP 52 HB2 ASP 52 -7.766 6.667 1.795 379 HB3 ASP 52 HB1 ASP 52 -8.725 5.867 0.563 380 H ARG 53 HN ARG 53 -10.598 3.849 1.204 381 HA ARG 53 HA ARG 53 -8.711 1.725 1.927 382 HB2 ARG 53 HB2 ARG 53 -11.508 1.810 1.747 383 HB3 ARG 53 HB1 ARG 53 -10.977 0.841 0.378 384 HG2 ARG 53 HG2 ARG 53 -9.969 0.313 3.150 385 HG3 ARG 53 HG1 ARG 53 -11.507 -0.343 2.593 386 HD2 ARG 53 HD2 ARG 53 -10.419 -1.526 0.812 387 HD3 ARG 53 HD1 ARG 53 -8.877 -0.752 1.185 388 HE ARG 53 HE ARG 53 -9.254 -1.951 3.467 389 HH11 ARG 53 HH11 ARG 53 -10.053 -3.257 0.293 390 HH12 ARG 53 HH12 ARG 53 -9.818 -4.901 0.789 391 HH21 ARG 53 HH21 ARG 53 -8.934 -4.112 4.086 392 HH22 ARG 53 HH22 ARG 53 -9.190 -5.385 2.932 393 H VAL 54 HN VAL 54 -7.198 1.248 0.466 394 HA VAL 54 HA VAL 54 -7.662 2.041 -2.323 395 HB VAL 54 HB VAL 54 -5.221 2.715 -2.396 396 HG11 VAL 54 HG11 VAL 54 -7.020 4.373 -2.300 397 HG12 VAL 54 HG12 VAL 54 -5.607 4.911 -1.394 398 HG13 VAL 54 HG13 VAL 54 -7.016 4.285 -0.538 399 HG21 VAL 54 HG21 VAL 54 -4.135 3.246 -0.280 400 HG22 VAL 54 HG22 VAL 54 -4.523 1.528 -0.365 401 HG23 VAL 54 HG23 VAL 54 -5.521 2.612 0.610 402 H ALA 55 HN ALA 55 -6.426 0.954 -3.889 403 HA ALA 55 HA ALA 55 -5.230 -1.601 -3.021 404 HB1 ALA 55 HB1 ALA 55 -5.814 -2.470 -5.250 405 HB2 ALA 55 HB2 ALA 55 -6.576 -0.929 -5.644 406 HB3 ALA 55 HB3 ALA 55 -7.247 -1.942 -4.365 407 H PHE 56 HN PHE 56 -3.072 -1.754 -3.392 408 HA PHE 56 HA PHE 56 -1.895 0.175 -5.266 409 HB2 PHE 56 HB2 PHE 56 -0.168 0.720 -3.519 410 HB3 PHE 56 HB1 PHE 56 -1.786 1.309 -3.184 411 HD1 PHE 56 HD1 PHE 56 -3.128 0.322 -1.396 412 HD2 PHE 56 HD2 PHE 56 0.861 -0.955 -2.149 413 HE1 PHE 56 HE1 PHE 56 -3.069 -0.783 0.800 414 HE2 PHE 56 HE2 PHE 56 0.928 -2.058 0.048 415 HZ PHE 56 HZ PHE 56 -1.054 -1.921 1.550 416 H SER 57 HN SER 57 0.522 -0.164 -5.449 417 HA SER 57 HA SER 57 1.279 -2.974 -5.104 418 HB2 SER 57 HB2 SER 57 2.462 -2.802 -7.345 419 HB3 SER 57 HB1 SER 57 0.702 -2.847 -7.425 420 HG SER 57 HG SER 57 1.732 -1.218 -8.766 421 H PHE 58 HN PHE 58 3.421 -3.297 -4.559 422 HA PHE 58 HA PHE 58 5.149 -0.937 -4.363 423 HB2 PHE 58 HB2 PHE 58 5.713 -1.390 -2.052 424 HB3 PHE 58 HB1 PHE 58 3.967 -1.216 -2.179 425 HD1 PHE 58 HD1 PHE 58 2.529 -3.250 -2.127 426 HD2 PHE 58 HD2 PHE 58 6.696 -3.396 -1.272 427 HE1 PHE 58 HE1 PHE 58 2.222 -5.426 -1.024 428 HE2 PHE 58 HE2 PHE 58 6.392 -5.570 -0.161 429 HZ PHE 58 HZ PHE 58 4.200 -6.611 -0.078 430 H ARG 59 HN ARG 59 7.426 -1.562 -3.854 431 HA ARG 59 HA ARG 59 8.015 -4.271 -4.862 432 HB2 ARG 59 HB2 ARG 59 9.719 -1.789 -5.142 433 HB3 ARG 59 HB1 ARG 59 10.142 -3.396 -5.717 434 HG2 ARG 59 HG2 ARG 59 8.154 -3.306 -7.208 435 HG3 ARG 59 HG1 ARG 59 7.930 -1.626 -6.710 436 HD2 ARG 59 HD2 ARG 59 10.322 -2.802 -8.113 437 HD3 ARG 59 HD1 ARG 59 9.138 -1.689 -8.796 438 HE ARG 59 HE ARG 59 10.929 -0.921 -6.567 439 HH11 ARG 59 HH11 ARG 59 9.439 -0.290 -9.676 440 HH12 ARG 59 HH12 ARG 59 10.190 1.268 -9.853 441 HH21 ARG 59 HH21 ARG 59 11.922 1.129 -6.814 442 HH22 ARG 59 HH22 ARG 59 11.603 2.069 -8.247 443 H LEU 60 HN LEU 60 9.397 -5.514 -3.737 444 HA LEU 60 HA LEU 60 10.338 -4.523 -1.174 445 HB2 LEU 60 HB2 LEU 60 10.118 -7.223 -2.427 446 HB3 LEU 60 HB1 LEU 60 11.265 -6.984 -1.124 447 HG LEU 60 HG LEU 60 8.288 -6.507 -0.946 448 HD11 LEU 60 HD11 LEU 60 8.893 -8.876 -1.093 449 HD12 LEU 60 HD12 LEU 60 8.290 -8.457 0.509 450 HD13 LEU 60 HD13 LEU 60 10.021 -8.667 0.247 451 HD21 LEU 60 HD21 LEU 60 8.741 -6.225 1.462 452 HD22 LEU 60 HD22 LEU 60 9.512 -4.977 0.483 453 HD23 LEU 60 HD23 LEU 60 10.472 -6.309 1.130 454 H ASP 61 HN ASP 61 12.278 -3.709 -0.922 455 HA ASP 61 HA ASP 61 14.255 -3.996 -3.025 456 HB2 ASP 61 HB2 ASP 61 14.308 -2.421 -0.447 457 HB3 ASP 61 HB1 ASP 61 15.585 -2.404 -1.648 458 HA PRO 62 HA PRO 62 16.651 -7.145 -1.323 459 HB2 PRO 62 HB2 PRO 62 19.167 -5.635 -1.362 460 HB3 PRO 62 HB1 PRO 62 18.667 -7.007 -2.355 461 HG2 PRO 62 HG2 PRO 62 18.879 -4.534 -3.381 462 HG3 PRO 62 HG1 PRO 62 17.626 -5.669 -3.920 463 HD2 PRO 62 HD2 PRO 62 17.398 -3.384 -1.985 464 HD3 PRO 62 HD1 PRO 62 16.305 -3.843 -3.307 465 H HIS 63 HN HIS 63 16.293 -4.434 0.512 466 HA HIS 63 HA HIS 63 17.936 -5.474 2.722 467 HB2 HIS 63 HB2 HIS 63 16.738 -2.768 2.176 468 HB3 HIS 63 HB1 HIS 63 17.297 -3.227 3.775 469 HD1 HIS 63 HD1 HIS 63 18.799 -0.959 2.938 470 HD2 HIS 63 HD2 HIS 63 19.805 -4.720 1.470 471 HE1 HIS 63 HE1 HIS 63 21.174 -0.760 2.130 472 HE2 HIS 63 HE2 HIS 63 21.816 -3.087 1.394 473 H GLY 64 HN GLY 64 14.892 -5.535 1.512 474 HA2 GLY 64 HA2 GLY 64 13.072 -6.679 2.470 475 HA3 GLY 64 HA1 GLY 64 13.785 -6.433 4.060 476 H MET 65 HN MET 65 13.478 -3.871 1.746 477 HA MET 65 HA MET 65 11.671 -2.496 3.596 478 HB2 MET 65 HB2 MET 65 13.433 -1.424 1.388 479 HB3 MET 65 HB1 MET 65 12.329 -0.439 2.340 480 HG2 MET 65 HG2 MET 65 14.640 -2.020 3.426 481 HG3 MET 65 HG1 MET 65 14.631 -0.283 3.140 482 HE1 MET 65 HE1 MET 65 11.676 0.494 4.063 483 HE2 MET 65 HE2 MET 65 13.101 1.429 4.518 484 HE3 MET 65 HE3 MET 65 11.948 0.921 5.754 485 H ALA 66 HN ALA 66 9.929 -1.218 2.712 486 HA ALA 66 HA ALA 66 8.760 -2.554 0.371 487 HB1 ALA 66 HB1 ALA 66 7.665 -3.290 2.434 488 HB2 ALA 66 HB2 ALA 66 6.563 -2.344 1.433 489 HB3 ALA 66 HB3 ALA 66 7.312 -1.613 2.853 490 H THR 67 HN THR 67 9.104 -1.072 -1.154 491 HA THR 67 HA THR 67 8.446 1.719 -0.539 492 HB THR 67 HB THR 67 10.012 0.799 -2.944 493 HG1 THR 67 HG1 THR 67 11.519 0.208 -1.538 494 HG21 THR 67 HG21 THR 67 10.922 3.067 -2.798 495 HG22 THR 67 HG22 THR 67 9.953 3.360 -1.353 496 HG23 THR 67 HG23 THR 67 9.162 3.105 -2.909 497 H LEU 68 HN LEU 68 6.780 2.665 -1.495 498 HA LEU 68 HA LEU 68 4.894 1.012 -2.846 499 HB2 LEU 68 HB2 LEU 68 4.334 2.794 -1.202 500 HB3 LEU 68 HB1 LEU 68 4.846 3.991 -2.372 501 HG LEU 68 HG LEU 68 3.040 3.245 -3.890 502 HD11 LEU 68 HD11 LEU 68 1.267 1.806 -2.981 503 HD12 LEU 68 HD12 LEU 68 2.259 1.507 -1.553 504 HD13 LEU 68 HD13 LEU 68 2.803 0.955 -3.138 505 HD21 LEU 68 HD21 LEU 68 1.210 4.216 -2.566 506 HD22 LEU 68 HD22 LEU 68 2.707 5.135 -2.410 507 HD23 LEU 68 HD23 LEU 68 2.196 4.058 -1.111 508 H VAL 69 HN VAL 69 4.166 1.120 -4.944 509 HA VAL 69 HA VAL 69 5.844 2.644 -6.816 510 HB VAL 69 HB VAL 69 4.044 0.287 -7.417 511 HG11 VAL 69 HG11 VAL 69 4.346 1.774 -9.323 512 HG12 VAL 69 HG12 VAL 69 5.194 0.249 -9.579 513 HG13 VAL 69 HG13 VAL 69 6.099 1.693 -9.124 514 HG21 VAL 69 HG21 VAL 69 5.913 -0.399 -6.021 515 HG22 VAL 69 HG22 VAL 69 7.045 0.401 -7.113 516 HG23 VAL 69 HG23 VAL 69 6.121 -0.995 -7.668 517 H THR 70 HN THR 70 2.491 1.442 -6.653 518 HA THR 70 HA THR 70 1.526 4.134 -7.241 519 HB THR 70 HB THR 70 -0.095 3.167 -8.939 520 HG1 THR 70 HG1 THR 70 1.294 0.913 -8.319 521 HG21 THR 70 HG21 THR 70 1.532 3.275 -10.793 522 HG22 THR 70 HG22 THR 70 2.844 3.207 -9.616 523 HG23 THR 70 HG23 THR 70 1.742 4.584 -9.630 524 H VAL 71 HN VAL 71 -0.671 4.464 -6.694 525 HA VAL 71 HA VAL 71 -2.002 2.265 -5.275 526 HB VAL 71 HB VAL 71 -0.840 3.739 -3.606 527 HG11 VAL 71 HG11 VAL 71 -1.678 5.962 -3.181 528 HG12 VAL 71 HG12 VAL 71 -2.811 5.815 -4.523 529 HG13 VAL 71 HG13 VAL 71 -1.073 5.850 -4.835 530 HG21 VAL 71 HG21 VAL 71 -2.747 2.488 -2.870 531 HG22 VAL 71 HG22 VAL 71 -3.850 3.691 -3.537 532 HG23 VAL 71 HG23 VAL 71 -2.829 4.102 -2.156 533 H ALA 72 HN ALA 72 -4.206 2.241 -5.541 534 HA ALA 72 HA ALA 72 -5.424 4.514 -6.956 535 HB1 ALA 72 HB1 ALA 72 -4.983 2.734 -8.580 536 HB2 ALA 72 HB2 ALA 72 -6.715 2.957 -8.335 537 HB3 ALA 72 HB3 ALA 72 -5.885 1.595 -7.584 538 HA PRO 73 HA PRO 73 -8.368 4.402 -3.700 539 HB2 PRO 73 HB2 PRO 73 -10.563 5.361 -5.058 540 HB3 PRO 73 HB1 PRO 73 -9.265 6.371 -4.413 541 HG2 PRO 73 HG2 PRO 73 -9.691 5.374 -7.194 542 HG3 PRO 73 HG1 PRO 73 -9.137 6.967 -6.645 543 HD2 PRO 73 HD2 PRO 73 -7.425 5.125 -7.600 544 HD3 PRO 73 HD1 PRO 73 -6.970 6.227 -6.284 545 H GLN 74 HN GLN 74 -8.896 2.398 -3.104 546 HA GLN 74 HA GLN 74 -10.457 0.605 -4.692 547 HB2 GLN 74 HB2 GLN 74 -8.768 0.285 -2.568 548 HB3 GLN 74 HB1 GLN 74 -10.335 0.174 -1.782 549 HG2 GLN 74 HG2 GLN 74 -10.943 -1.579 -3.456 550 HG3 GLN 74 HG1 GLN 74 -9.261 -1.523 -3.986 551 HE21 GLN 74 HE21 GLN 74 -8.186 -1.077 -1.360 552 HE22 GLN 74 HE22 GLN 74 -8.328 -2.569 -0.508 553 H VAL 75 HN VAL 75 -12.507 -0.360 -3.515 554 HA VAL 75 HA VAL 75 -13.998 1.810 -2.261 555 HB VAL 75 HB VAL 75 -15.983 1.271 -3.807 556 HG11 VAL 75 HG11 VAL 75 -14.849 3.418 -3.750 557 HG12 VAL 75 HG12 VAL 75 -15.244 2.978 -5.412 558 HG13 VAL 75 HG13 VAL 75 -13.591 2.804 -4.820 559 HG21 VAL 75 HG21 VAL 75 -13.698 0.358 -5.554 560 HG22 VAL 75 HG22 VAL 75 -15.355 0.639 -6.090 561 HG23 VAL 75 HG23 VAL 75 -15.007 -0.653 -4.940 562 H GLN 76 HN GLN 76 -13.530 0.124 -0.524 563 HA GLN 76 HA GLN 76 -16.052 -1.370 -0.390 564 HB2 GLN 76 HB2 GLN 76 -15.128 -3.003 1.067 565 HB3 GLN 76 HB1 GLN 76 -14.027 -2.857 -0.294 566 HG2 GLN 76 HG2 GLN 76 -12.421 -1.759 0.965 567 HG3 GLN 76 HG1 GLN 76 -13.575 -1.303 2.216 568 HE21 GLN 76 HE21 GLN 76 -12.481 -2.157 3.897 569 HE22 GLN 76 HE22 GLN 76 -12.236 -3.855 4.126 570 H THR 77 HN THR 77 -13.793 0.628 1.216 571 HA THR 77 HA THR 77 -15.911 1.632 2.974 572 HB THR 77 HB THR 77 -13.135 1.520 4.071 573 HG1 THR 77 HG1 THR 77 -14.926 -0.709 4.209 574 HG21 THR 77 HG21 THR 77 -14.939 2.647 5.294 575 HG22 THR 77 HG22 THR 77 -14.356 1.237 6.180 576 HG23 THR 77 HG23 THR 77 -15.877 1.153 5.289 577 H ALA 78 HN ALA 78 -14.492 2.443 0.442 578 HA ALA 78 HA ALA 78 -13.187 4.925 1.309 579 HB1 ALA 78 HB1 ALA 78 -11.867 3.569 -0.219 580 HB2 ALA 78 HB2 ALA 78 -12.354 5.066 -1.011 581 HB3 ALA 78 HB3 ALA 78 -13.185 3.557 -1.390 582 H GLY 79 HN GLY 79 -13.682 6.873 -0.084 583 HA2 GLY 79 HA2 GLY 79 -16.490 7.338 0.050 584 HA3 GLY 79 HA1 GLY 79 -15.275 8.466 -0.535 585 H ALA 80 HN ALA 80 -17.706 6.225 -1.373 586 HA ALA 80 HA ALA 80 -17.868 7.155 -4.046 587 HB1 ALA 80 HB1 ALA 80 -17.313 5.111 -5.243 588 HB2 ALA 80 HB2 ALA 80 -16.849 4.334 -3.729 589 HB3 ALA 80 HB3 ALA 80 -15.918 5.701 -4.340 590 H LYS 81 HN LYS 81 -19.381 6.332 -1.490 591 HA LYS 81 HA LYS 81 -21.388 4.601 -2.760 592 HB2 LYS 81 HB2 LYS 81 -20.603 3.803 -0.588 593 HB3 LYS 81 HB1 LYS 81 -21.009 5.346 0.149 594 HG2 LYS 81 HG2 LYS 81 -23.383 4.943 -0.403 595 HG3 LYS 81 HG1 LYS 81 -22.937 3.353 -1.025 596 HD2 LYS 81 HD2 LYS 81 -22.421 4.293 1.791 597 HD3 LYS 81 HD1 LYS 81 -23.809 3.317 1.307 598 HE2 LYS 81 HE2 LYS 81 -22.387 1.508 0.655 599 HE3 LYS 81 HE1 LYS 81 -20.944 2.496 0.880 600 HZ1 LYS 81 HZ1 LYS 81 -21.173 2.448 3.175 601 HZ2 LYS 81 HZ2 LYS 81 -21.565 0.862 2.715 602 HZ3 LYS 81 HZ3 LYS 81 -22.793 1.961 3.115 603 HA PRO 82 HA PRO 82 -23.888 8.317 -3.000 604 HB2 PRO 82 HB2 PRO 82 -25.746 6.843 -4.600 605 HB3 PRO 82 HB1 PRO 82 -24.558 8.029 -5.140 606 HG2 PRO 82 HG2 PRO 82 -24.480 5.330 -5.736 607 HG3 PRO 82 HG1 PRO 82 -23.088 6.424 -5.798 608 HD2 PRO 82 HD2 PRO 82 -23.887 4.488 -3.665 609 HD3 PRO 82 HD1 PRO 82 -22.264 4.905 -4.264 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 12.450 -2.734 -5.593 2 H2 GLY 1 HT2 GLY 1 13.233 -2.983 -7.077 3 H3 GLY 1 HT3 GLY 1 14.136 -2.889 -5.651 4 HA2 GLY 1 HA1 GLY 1 13.982 -5.171 -6.324 5 HA3 GLY 1 HA2 GLY 1 13.093 -4.914 -4.827 6 HA PRO 2 HA PRO 2 10.413 -7.210 -7.940 7 HB2 PRO 2 HB2 PRO 2 9.750 -8.672 -5.441 8 HB3 PRO 2 HB1 PRO 2 10.107 -9.302 -7.053 9 HG2 PRO 2 HG2 PRO 2 11.901 -9.519 -5.115 10 HG3 PRO 2 HG1 PRO 2 12.400 -9.103 -6.767 11 HD2 PRO 2 HD2 PRO 2 12.053 -7.309 -4.389 12 HD3 PRO 2 HD1 PRO 2 13.361 -7.338 -5.591 13 H GLU 3 HN GLU 3 8.339 -6.722 -8.293 14 HA GLU 3 HA GLU 3 7.009 -4.962 -6.396 15 HB2 GLU 3 HB2 GLU 3 7.139 -4.296 -8.754 16 HB3 GLU 3 HB1 GLU 3 6.283 -5.755 -9.226 17 HG2 GLU 3 HG2 GLU 3 4.326 -4.964 -7.918 18 HG3 GLU 3 HG1 GLU 3 5.195 -3.460 -7.613 19 H HIS 4 HN HIS 4 5.198 -5.447 -5.282 20 HA HIS 4 HA HIS 4 3.826 -7.991 -5.864 21 HB2 HIS 4 HB2 HIS 4 4.398 -6.910 -3.093 22 HB3 HIS 4 HB1 HIS 4 3.559 -8.407 -3.474 23 HD1 HIS 4 HD1 HIS 4 5.113 -10.292 -4.683 24 HD2 HIS 4 HD2 HIS 4 7.091 -7.147 -2.803 25 HE1 HIS 4 HE1 HIS 4 7.472 -11.082 -4.337 26 HE2 HIS 4 HE2 HIS 4 8.590 -9.252 -3.019 27 H ARG 5 HN ARG 5 1.565 -8.007 -5.223 28 HA ARG 5 HA ARG 5 0.384 -5.346 -5.411 29 HB2 ARG 5 HB2 ARG 5 -0.775 -8.122 -5.648 30 HB3 ARG 5 HB1 ARG 5 -1.755 -6.662 -5.690 31 HG2 ARG 5 HG2 ARG 5 0.476 -7.311 -7.603 32 HG3 ARG 5 HG1 ARG 5 -1.249 -7.515 -7.930 33 HD2 ARG 5 HD2 ARG 5 -1.617 -5.145 -7.685 34 HD3 ARG 5 HD1 ARG 5 0.060 -4.900 -7.200 35 HE ARG 5 HE ARG 5 0.309 -6.016 -9.645 36 HH11 ARG 5 HH11 ARG 5 -1.624 -3.351 -8.451 37 HH12 ARG 5 HH12 ARG 5 -1.515 -2.436 -9.919 38 HH21 ARG 5 HH21 ARG 5 0.448 -4.811 -11.603 39 HH22 ARG 5 HH22 ARG 5 -0.393 -3.293 -11.730 40 H ALA 6 HN ALA 6 -1.138 -4.528 -3.918 41 HA ALA 6 HA ALA 6 -1.643 -5.993 -1.479 42 HB1 ALA 6 HB1 ALA 6 -0.567 -4.394 -0.001 43 HB2 ALA 6 HB2 ALA 6 0.045 -3.502 -1.394 44 HB3 ALA 6 HB3 ALA 6 0.607 -5.144 -1.082 45 H VAL 7 HN VAL 7 -3.512 -5.401 -0.618 46 HA VAL 7 HA VAL 7 -4.581 -2.730 -1.237 47 HB VAL 7 HB VAL 7 -6.858 -3.713 -0.935 48 HG11 VAL 7 HG11 VAL 7 -6.006 -3.326 -3.160 49 HG12 VAL 7 HG12 VAL 7 -6.933 -4.827 -3.135 50 HG13 VAL 7 HG13 VAL 7 -5.171 -4.879 -3.141 51 HG21 VAL 7 HG21 VAL 7 -6.307 -5.677 0.360 52 HG22 VAL 7 HG22 VAL 7 -5.351 -6.327 -0.972 53 HG23 VAL 7 HG23 VAL 7 -7.100 -6.163 -1.139 54 H GLY 8 HN GLY 8 -5.649 -1.629 0.487 55 HA2 GLY 8 HA2 GLY 8 -6.125 -2.734 3.019 56 HA3 GLY 8 HA1 GLY 8 -4.500 -2.070 3.025 57 H ARG 9 HN ARG 9 -5.599 -0.807 4.779 58 HA ARG 9 HA ARG 9 -7.087 1.487 3.680 59 HB2 ARG 9 HB2 ARG 9 -8.350 0.146 5.308 60 HB3 ARG 9 HB1 ARG 9 -7.081 0.394 6.497 61 HG2 ARG 9 HG2 ARG 9 -7.531 2.780 6.512 62 HG3 ARG 9 HG1 ARG 9 -8.762 2.568 5.265 63 HD2 ARG 9 HD2 ARG 9 -9.776 2.753 7.463 64 HD3 ARG 9 HD1 ARG 9 -10.055 1.153 6.777 65 HE ARG 9 HE ARG 9 -8.085 1.762 8.897 66 HH11 ARG 9 HH11 ARG 9 -10.311 -0.433 7.310 67 HH12 ARG 9 HH12 ARG 9 -10.025 -1.729 8.429 68 HH21 ARG 9 HH21 ARG 9 -7.699 0.045 10.363 69 HH22 ARG 9 HH22 ARG 9 -8.535 -1.471 10.147 70 H ILE 10 HN ILE 10 -6.317 3.481 3.956 71 HA ILE 10 HA ILE 10 -3.549 3.749 4.660 72 HB ILE 10 HB ILE 10 -5.509 5.995 4.188 73 HG12 ILE 10 HG12 ILE 10 -5.631 4.417 2.323 74 HG13 ILE 10 HG11 ILE 10 -4.834 5.906 1.825 75 HG21 ILE 10 HG21 ILE 10 -3.377 6.688 5.121 76 HG22 ILE 10 HG22 ILE 10 -3.509 7.214 3.445 77 HG23 ILE 10 HG23 ILE 10 -2.516 5.817 3.855 78 HD11 ILE 10 HD11 ILE 10 -2.662 4.792 2.060 79 HD12 ILE 10 HD12 ILE 10 -3.713 3.990 0.891 80 HD13 ILE 10 HD13 ILE 10 -3.496 3.299 2.501 81 H GLN 11 HN GLN 11 -2.633 4.423 6.518 82 HA GLN 11 HA GLN 11 -4.369 5.039 8.773 83 HB2 GLN 11 HB2 GLN 11 -1.387 4.592 8.587 84 HB3 GLN 11 HB1 GLN 11 -2.228 4.979 10.082 85 HG2 GLN 11 HG2 GLN 11 -2.823 2.570 8.385 86 HG3 GLN 11 HG1 GLN 11 -1.726 2.568 9.765 87 HE21 GLN 11 HE21 GLN 11 -4.206 1.091 9.338 88 HE22 GLN 11 HE22 GLN 11 -5.236 1.500 10.664 89 H SER 12 HN SER 12 -1.546 6.471 7.142 90 HA SER 12 HA SER 12 -2.560 9.123 7.387 91 HB2 SER 12 HB2 SER 12 -0.219 8.334 9.150 92 HB3 SER 12 HB1 SER 12 -0.713 9.995 8.820 93 HG SER 12 HG SER 12 -2.839 8.577 9.636 94 H ILE 13 HN ILE 13 -1.707 10.295 5.742 95 HA ILE 13 HA ILE 13 0.603 9.177 4.344 96 HB ILE 13 HB ILE 13 -1.359 11.322 3.535 97 HG12 ILE 13 HG12 ILE 13 -0.811 8.547 2.475 98 HG13 ILE 13 HG11 ILE 13 -2.192 9.023 3.452 99 HG21 ILE 13 HG21 ILE 13 1.017 10.265 2.005 100 HG22 ILE 13 HG22 ILE 13 0.836 11.894 2.656 101 HG23 ILE 13 HG23 ILE 13 -0.222 11.338 1.358 102 HD11 ILE 13 HD11 ILE 13 -2.788 8.830 1.110 103 HD12 ILE 13 HD12 ILE 13 -1.557 10.022 0.686 104 HD13 ILE 13 HD13 ILE 13 -2.949 10.498 1.661 105 H GLY 14 HN GLY 14 2.532 9.961 4.565 106 HA2 GLY 14 HA2 GLY 14 2.924 12.510 5.952 107 HA3 GLY 14 HA1 GLY 14 4.137 11.261 5.716 108 H GLU 15 HN GLU 15 5.524 13.007 4.990 109 HA GLU 15 HA GLU 15 4.827 14.403 2.573 110 HB2 GLU 15 HB2 GLU 15 7.544 14.249 3.884 111 HB3 GLU 15 HB1 GLU 15 6.974 15.469 2.752 112 HG2 GLU 15 HG2 GLU 15 6.106 15.047 5.599 113 HG3 GLU 15 HG1 GLU 15 6.965 16.430 4.924 114 H ARG 16 HN ARG 16 6.922 11.726 3.486 115 HA ARG 16 HA ARG 16 7.084 10.964 0.668 116 HB2 ARG 16 HB2 ARG 16 9.563 10.267 1.288 117 HB3 ARG 16 HB1 ARG 16 9.171 11.859 0.663 118 HG2 ARG 16 HG2 ARG 16 10.700 12.111 2.469 119 HG3 ARG 16 HG1 ARG 16 9.129 12.706 2.993 120 HD2 ARG 16 HD2 ARG 16 8.735 10.630 4.210 121 HD3 ARG 16 HD1 ARG 16 10.285 9.996 3.652 122 HE ARG 16 HE ARG 16 11.000 12.288 4.873 123 HH11 ARG 16 HH11 ARG 16 9.009 9.593 5.921 124 HH12 ARG 16 HH12 ARG 16 9.383 9.818 7.606 125 HH21 ARG 16 HH21 ARG 16 11.485 12.589 7.057 126 HH22 ARG 16 HH22 ARG 16 10.815 11.513 8.257 127 H SER 17 HN SER 17 6.030 10.073 3.505 128 HA SER 17 HA SER 17 6.109 7.285 2.804 129 HB2 SER 17 HB2 SER 17 6.765 6.735 5.265 130 HB3 SER 17 HB1 SER 17 8.031 7.103 4.100 131 HG SER 17 HG SER 17 7.027 8.651 6.220 132 H LEU 18 HN LEU 18 4.435 6.110 3.712 133 HA LEU 18 HA LEU 18 2.672 7.485 5.588 134 HB2 LEU 18 HB2 LEU 18 0.710 6.578 4.131 135 HB3 LEU 18 HB1 LEU 18 1.423 8.134 3.795 136 HG LEU 18 HG LEU 18 2.363 5.689 2.325 137 HD11 LEU 18 HD11 LEU 18 -0.068 5.698 2.115 138 HD12 LEU 18 HD12 LEU 18 0.695 6.150 0.592 139 HD13 LEU 18 HD13 LEU 18 -0.027 7.390 1.616 140 HD21 LEU 18 HD21 LEU 18 3.655 7.753 2.079 141 HD22 LEU 18 HD22 LEU 18 2.194 8.612 1.585 142 HD23 LEU 18 HD23 LEU 18 2.846 7.325 0.570 143 H ILE 19 HN ILE 19 1.403 6.165 6.803 144 HA ILE 19 HA ILE 19 2.299 3.382 6.855 145 HB ILE 19 HB ILE 19 0.420 4.646 8.846 146 HG12 ILE 19 HG12 ILE 19 3.446 4.643 8.945 147 HG13 ILE 19 HG11 ILE 19 2.446 6.061 8.666 148 HG21 ILE 19 HG21 ILE 19 1.379 2.931 10.344 149 HG22 ILE 19 HG22 ILE 19 2.366 2.337 9.005 150 HG23 ILE 19 HG23 ILE 19 0.604 2.225 8.927 151 HD11 ILE 19 HD11 ILE 19 1.474 5.799 10.900 152 HD12 ILE 19 HD12 ILE 19 3.227 5.991 10.953 153 HD13 ILE 19 HD13 ILE 19 2.508 4.394 11.172 154 H ILE 20 HN ILE 20 1.060 1.751 6.157 155 HA ILE 20 HA ILE 20 -1.793 2.306 5.674 156 HB ILE 20 HB ILE 20 0.005 0.702 3.846 157 HG12 ILE 20 HG12 ILE 20 -1.236 3.431 3.411 158 HG13 ILE 20 HG11 ILE 20 0.470 3.131 3.723 159 HG21 ILE 20 HG21 ILE 20 -2.269 -0.128 3.874 160 HG22 ILE 20 HG22 ILE 20 -1.952 0.699 2.346 161 HG23 ILE 20 HG23 ILE 20 -2.894 1.500 3.605 162 HD11 ILE 20 HD11 ILE 20 0.085 3.517 1.371 163 HD12 ILE 20 HD12 ILE 20 -1.090 2.202 1.322 164 HD13 ILE 20 HD13 ILE 20 0.611 1.854 1.636 165 H ALA 21 HN ALA 21 -3.070 0.920 6.695 166 HA ALA 21 HA ALA 21 -2.017 -1.595 7.695 167 HB1 ALA 21 HB1 ALA 21 -4.800 -0.440 7.858 168 HB2 ALA 21 HB2 ALA 21 -3.564 -0.343 9.112 169 HB3 ALA 21 HB3 ALA 21 -4.250 -1.906 8.664 170 H HIS 22 HN HIS 22 -1.572 -2.730 5.852 171 HA HIS 22 HA HIS 22 -3.648 -3.046 3.846 172 HB2 HIS 22 HB2 HIS 22 -1.926 -4.259 2.558 173 HB3 HIS 22 HB1 HIS 22 -1.382 -2.656 3.042 174 HD1 HIS 22 HD1 HIS 22 -0.977 -6.287 4.116 175 HD2 HIS 22 HD2 HIS 22 0.997 -2.628 4.357 176 HE1 HIS 22 HE1 HIS 22 1.270 -6.788 5.133 177 HE2 HIS 22 HE2 HIS 22 2.471 -4.575 5.204 178 H GLU 23 HN GLU 23 -4.404 -5.045 3.151 179 HA GLU 23 HA GLU 23 -4.943 -6.940 5.185 180 HB2 GLU 23 HB2 GLU 23 -5.370 -7.002 2.195 181 HB3 GLU 23 HB1 GLU 23 -5.969 -8.237 3.295 182 HG2 GLU 23 HG2 GLU 23 -7.353 -6.634 4.429 183 HG3 GLU 23 HG1 GLU 23 -6.678 -5.318 3.474 184 H ALA 24 HN ALA 24 -4.729 -9.387 3.855 185 HA ALA 24 HA ALA 24 -2.350 -10.282 4.896 186 HB1 ALA 24 HB1 ALA 24 -2.777 -12.380 3.766 187 HB2 ALA 24 HB2 ALA 24 -3.940 -11.582 2.705 188 HB3 ALA 24 HB3 ALA 24 -4.263 -11.712 4.433 189 H ILE 25 HN ILE 25 -3.013 -9.654 1.495 190 HA ILE 25 HA ILE 25 -1.635 -9.233 -0.279 191 HB ILE 25 HB ILE 25 0.673 -9.333 1.675 192 HG12 ILE 25 HG12 ILE 25 -0.927 -7.014 0.584 193 HG13 ILE 25 HG11 ILE 25 -0.769 -7.504 2.265 194 HG21 ILE 25 HG21 ILE 25 0.532 -8.345 -1.175 195 HG22 ILE 25 HG22 ILE 25 1.385 -9.778 -0.602 196 HG23 ILE 25 HG23 ILE 25 1.923 -8.175 -0.104 197 HD11 ILE 25 HD11 ILE 25 1.436 -6.405 0.537 198 HD12 ILE 25 HD12 ILE 25 1.603 -6.921 2.214 199 HD13 ILE 25 HD13 ILE 25 0.580 -5.544 1.815 200 HA PRO 26 HA PRO 26 -0.848 -13.714 -0.544 201 HB2 PRO 26 HB2 PRO 26 -2.015 -14.068 -2.952 202 HB3 PRO 26 HB1 PRO 26 -2.954 -13.970 -1.456 203 HG2 PRO 26 HG2 PRO 26 -2.468 -11.872 -3.532 204 HG3 PRO 26 HG1 PRO 26 -3.962 -12.263 -2.662 205 HD2 PRO 26 HD2 PRO 26 -2.313 -10.178 -1.999 206 HD3 PRO 26 HD1 PRO 26 -3.371 -11.008 -0.841 207 H SER 27 HN SER 27 0.304 -11.020 -2.104 208 HA SER 27 HA SER 27 1.898 -12.409 -4.084 209 HB2 SER 27 HB2 SER 27 2.020 -9.506 -3.234 210 HB3 SER 27 HB1 SER 27 2.696 -10.208 -4.702 211 HG SER 27 HG SER 27 0.423 -10.819 -5.180 212 H ALA 28 HN ALA 28 2.159 -11.438 -0.793 213 HA ALA 28 HA ALA 28 5.068 -11.917 -0.887 214 HB1 ALA 28 HB1 ALA 28 3.609 -10.028 0.948 215 HB2 ALA 28 HB2 ALA 28 4.570 -9.565 -0.456 216 HB3 ALA 28 HB3 ALA 28 5.346 -10.330 0.932 217 H GLN 29 HN GLN 29 2.211 -13.152 0.136 218 HA GLN 29 HA GLN 29 1.627 -14.845 1.522 219 HB2 GLN 29 HB2 GLN 29 4.611 -15.101 1.703 220 HB3 GLN 29 HB1 GLN 29 3.558 -16.113 2.672 221 HG2 GLN 29 HG2 GLN 29 4.218 -17.310 0.712 222 HG3 GLN 29 HG1 GLN 29 2.500 -16.934 0.603 223 HE21 GLN 29 HE21 GLN 29 1.779 -15.573 -0.994 224 HE22 GLN 29 HE22 GLN 29 2.780 -15.039 -2.297 225 H TRP 30 HN TRP 30 1.974 -12.065 2.470 226 HA TRP 30 HA TRP 30 2.742 -12.356 5.251 227 HB2 TRP 30 HB2 TRP 30 1.682 -10.003 3.676 228 HB3 TRP 30 HB1 TRP 30 2.010 -9.934 5.403 229 HD1 TRP 30 HD1 TRP 30 4.712 -11.981 4.314 230 HE1 TRP 30 HE1 TRP 30 6.831 -10.620 3.753 231 HE3 TRP 30 HE3 TRP 30 2.619 -7.328 3.950 232 HZ2 TRP 30 HZ2 TRP 30 7.514 -7.939 3.234 233 HZ3 TRP 30 HZ3 TRP 30 4.080 -5.418 3.424 234 HH2 TRP 30 HH2 TRP 30 6.474 -5.719 3.075 235 H GLY 31 HN GLY 31 1.117 -11.294 6.865 236 HA2 GLY 31 HA2 GLY 31 -1.536 -12.467 6.321 237 HA3 GLY 31 HA1 GLY 31 -0.696 -12.750 7.836 238 H ALA 32 HN ALA 32 -1.042 -9.756 5.980 239 HA ALA 32 HA ALA 32 -2.092 -7.788 6.378 240 HB1 ALA 32 HB1 ALA 32 -4.029 -7.662 7.816 241 HB2 ALA 32 HB2 ALA 32 -3.625 -9.214 8.550 242 HB3 ALA 32 HB3 ALA 32 -4.097 -9.137 6.852 243 H MET 33 HN MET 33 -1.235 -6.060 7.291 244 HA MET 33 HA MET 33 -0.605 -5.833 10.039 245 HB2 MET 33 HB2 MET 33 1.870 -5.701 9.820 246 HB3 MET 33 HB1 MET 33 1.231 -7.320 9.566 247 HG2 MET 33 HG2 MET 33 1.404 -7.003 7.150 248 HG3 MET 33 HG1 MET 33 2.061 -5.392 7.413 249 HE1 MET 33 HE1 MET 33 4.203 -9.317 8.553 250 HE2 MET 33 HE2 MET 33 2.677 -9.249 7.671 251 HE3 MET 33 HE3 MET 33 2.742 -8.750 9.360 252 H THR 34 HN THR 34 -0.071 -3.783 10.631 253 HA THR 34 HA THR 34 -0.506 -1.736 8.627 254 HB THR 34 HB THR 34 0.043 -1.397 11.582 255 HG1 THR 34 HG1 THR 34 -2.246 -1.337 11.780 256 HG21 THR 34 HG21 THR 34 -1.132 0.742 11.279 257 HG22 THR 34 HG22 THR 34 -1.269 0.413 9.552 258 HG23 THR 34 HG23 THR 34 0.320 0.646 10.282 259 H MET 35 HN MET 35 1.215 -1.232 7.420 260 HA MET 35 HA MET 35 3.800 -0.838 8.778 261 HB2 MET 35 HB2 MET 35 3.802 -2.995 7.590 262 HB3 MET 35 HB1 MET 35 3.367 -2.177 6.099 263 HG2 MET 35 HG2 MET 35 5.458 -1.211 5.863 264 HG3 MET 35 HG1 MET 35 5.861 -1.428 7.566 265 HE1 MET 35 HE1 MET 35 6.509 -3.707 8.655 266 HE2 MET 35 HE2 MET 35 6.454 -5.257 7.810 267 HE3 MET 35 HE3 MET 35 4.964 -4.358 8.110 268 H GLU 36 HN GLU 36 5.150 0.751 7.911 269 HA GLU 36 HA GLU 36 3.778 2.821 6.425 270 HB2 GLU 36 HB2 GLU 36 5.137 3.419 8.380 271 HB3 GLU 36 HB1 GLU 36 6.560 2.727 7.614 272 HG2 GLU 36 HG2 GLU 36 6.493 4.411 5.884 273 HG3 GLU 36 HG1 GLU 36 5.002 5.072 6.557 274 H PHE 37 HN PHE 37 4.163 3.392 4.367 275 HA PHE 37 HA PHE 37 6.130 1.804 2.858 276 HB2 PHE 37 HB2 PHE 37 3.418 2.865 2.064 277 HB3 PHE 37 HB1 PHE 37 4.602 2.335 0.872 278 HD1 PHE 37 HD1 PHE 37 2.793 1.158 3.908 279 HD2 PHE 37 HD2 PHE 37 4.667 0.117 0.233 280 HE1 PHE 37 HE1 PHE 37 2.022 -1.161 4.178 281 HE2 PHE 37 HE2 PHE 37 3.896 -2.205 0.495 282 HZ PHE 37 HZ PHE 37 2.571 -2.847 2.468 283 H ALA 38 HN ALA 38 7.457 2.852 1.430 284 HA ALA 38 HA ALA 38 7.799 5.693 1.889 285 HB1 ALA 38 HB1 ALA 38 9.747 4.209 1.852 286 HB2 ALA 38 HB2 ALA 38 9.852 5.447 0.601 287 HB3 ALA 38 HB3 ALA 38 9.399 3.796 0.173 288 H ALA 39 HN ALA 39 7.283 7.276 0.511 289 HA ALA 39 HA ALA 39 5.734 6.526 -1.848 290 HB1 ALA 39 HB1 ALA 39 6.041 9.189 -0.464 291 HB2 ALA 39 HB2 ALA 39 4.701 8.058 -0.260 292 HB3 ALA 39 HB3 ALA 39 4.958 8.851 -1.817 293 HA PRO 40 HA PRO 40 8.844 7.864 -4.762 294 HB2 PRO 40 HB2 PRO 40 7.129 8.815 -6.699 295 HB3 PRO 40 HB1 PRO 40 7.555 7.112 -6.501 296 HG2 PRO 40 HG2 PRO 40 5.130 8.582 -5.550 297 HG3 PRO 40 HG1 PRO 40 5.252 6.965 -6.269 298 HD2 PRO 40 HD2 PRO 40 4.966 7.303 -3.622 299 HD3 PRO 40 HD1 PRO 40 5.976 6.001 -4.287 300 HA PRO 41 HA PRO 41 9.484 12.126 -3.815 301 HB2 PRO 41 HB2 PRO 41 10.613 12.361 -6.550 302 HB3 PRO 41 HB1 PRO 41 11.352 12.734 -4.990 303 HG2 PRO 41 HG2 PRO 41 12.061 10.553 -6.346 304 HG3 PRO 41 HG1 PRO 41 11.913 10.523 -4.578 305 HD2 PRO 41 HD2 PRO 41 10.040 9.468 -6.656 306 HD3 PRO 41 HD1 PRO 41 10.482 8.778 -5.081 307 H ALA 42 HN ALA 42 7.699 11.168 -6.611 308 HA ALA 42 HA ALA 42 6.881 13.741 -7.490 309 HB1 ALA 42 HB1 ALA 42 6.714 11.784 -8.929 310 HB2 ALA 42 HB2 ALA 42 5.136 12.545 -8.723 311 HB3 ALA 42 HB3 ALA 42 5.526 11.071 -7.838 312 H GLY 43 HN GLY 43 5.858 11.662 -4.900 313 HA2 GLY 43 HA2 GLY 43 4.634 12.430 -3.046 314 HA3 GLY 43 HA1 GLY 43 3.990 13.728 -4.033 315 H LEU 44 HN LEU 44 2.264 12.461 -2.490 316 HA LEU 44 HA LEU 44 0.958 10.366 -4.050 317 HB2 LEU 44 HB2 LEU 44 0.303 11.429 -1.294 318 HB3 LEU 44 HB1 LEU 44 -0.484 10.075 -2.075 319 HG LEU 44 HG LEU 44 0.972 9.103 -0.529 320 HD11 LEU 44 HD11 LEU 44 2.693 7.973 -1.867 321 HD12 LEU 44 HD12 LEU 44 2.403 9.120 -3.175 322 HD13 LEU 44 HD13 LEU 44 1.126 8.015 -2.676 323 HD21 LEU 44 HD21 LEU 44 3.104 11.010 -1.476 324 HD22 LEU 44 HD22 LEU 44 3.348 9.716 -0.306 325 HD23 LEU 44 HD23 LEU 44 2.263 11.054 0.074 326 HA PRO 45 HA PRO 45 -2.334 13.235 -5.164 327 HB2 PRO 45 HB2 PRO 45 -4.170 11.102 -5.626 328 HB3 PRO 45 HB1 PRO 45 -3.231 11.993 -6.827 329 HG2 PRO 45 HG2 PRO 45 -2.892 9.312 -6.188 330 HG3 PRO 45 HG1 PRO 45 -1.703 10.328 -7.019 331 HD2 PRO 45 HD2 PRO 45 -1.813 9.492 -4.157 332 HD3 PRO 45 HD1 PRO 45 -0.409 9.767 -5.205 333 H GLN 46 HN GLN 46 -4.958 12.932 -4.802 334 HA GLN 46 HA GLN 46 -5.292 12.359 -1.939 335 HB2 GLN 46 HB2 GLN 46 -6.751 14.414 -3.611 336 HB3 GLN 46 HB1 GLN 46 -7.146 14.013 -1.947 337 HG2 GLN 46 HG2 GLN 46 -5.807 15.718 -1.433 338 HG3 GLN 46 HG1 GLN 46 -4.498 14.579 -1.744 339 HE21 GLN 46 HE21 GLN 46 -5.344 14.650 -4.664 340 HE22 GLN 46 HE22 GLN 46 -4.589 16.094 -5.263 341 H GLY 47 HN GLY 47 -7.823 12.061 -1.534 342 HA2 GLY 47 HA2 GLY 47 -9.730 10.810 -2.048 343 HA3 GLY 47 HA1 GLY 47 -9.037 10.485 -3.637 344 H LEU 48 HN LEU 48 -6.746 9.974 -1.353 345 HA LEU 48 HA LEU 48 -7.377 7.213 -0.768 346 HB2 LEU 48 HB2 LEU 48 -5.024 6.681 -1.637 347 HB3 LEU 48 HB1 LEU 48 -6.314 6.878 -2.797 348 HG LEU 48 HG LEU 48 -5.422 9.344 -2.921 349 HD11 LEU 48 HD11 LEU 48 -2.979 7.845 -1.994 350 HD12 LEU 48 HD12 LEU 48 -3.790 9.155 -1.134 351 HD13 LEU 48 HD13 LEU 48 -2.995 9.472 -2.676 352 HD21 LEU 48 HD21 LEU 48 -3.966 8.670 -4.770 353 HD22 LEU 48 HD22 LEU 48 -5.496 7.794 -4.780 354 HD23 LEU 48 HD23 LEU 48 -4.029 7.002 -4.202 355 H LYS 49 HN LYS 49 -7.348 9.302 1.003 356 HA LYS 49 HA LYS 49 -4.650 9.515 2.124 357 HB2 LYS 49 HB2 LYS 49 -5.654 11.417 3.433 358 HB3 LYS 49 HB1 LYS 49 -5.626 11.641 1.691 359 HG2 LYS 49 HG2 LYS 49 -7.731 12.368 2.163 360 HG3 LYS 49 HG1 LYS 49 -8.061 10.664 1.852 361 HD2 LYS 49 HD2 LYS 49 -7.911 10.249 4.296 362 HD3 LYS 49 HD1 LYS 49 -7.732 11.987 4.542 363 HE2 LYS 49 HE2 LYS 49 -10.014 11.520 4.901 364 HE3 LYS 49 HE1 LYS 49 -9.922 12.250 3.299 365 HZ1 LYS 49 HZ1 LYS 49 -11.289 10.455 2.946 366 HZ2 LYS 49 HZ2 LYS 49 -10.475 9.458 4.041 367 HZ3 LYS 49 HZ3 LYS 49 -9.786 9.787 2.525 368 H ALA 50 HN ALA 50 -4.963 10.046 4.691 369 HA ALA 50 HA ALA 50 -5.212 7.657 6.012 370 HB1 ALA 50 HB1 ALA 50 -4.206 9.673 6.962 371 HB2 ALA 50 HB2 ALA 50 -5.388 8.966 8.065 372 HB3 ALA 50 HB3 ALA 50 -5.805 10.398 7.123 373 H GLY 51 HN GLY 51 -6.874 6.309 6.148 374 HA2 GLY 51 HA2 GLY 51 -9.024 5.898 7.239 375 HA3 GLY 51 HA1 GLY 51 -9.569 7.438 6.588 376 H ASP 52 HN ASP 52 -8.120 6.773 4.025 377 HA ASP 52 HA ASP 52 -10.352 5.512 2.725 378 HB2 ASP 52 HB2 ASP 52 -7.746 6.662 1.772 379 HB3 ASP 52 HB1 ASP 52 -8.734 5.689 0.691 380 H ARG 53 HN ARG 53 -10.377 3.571 1.647 381 HA ARG 53 HA ARG 53 -8.146 1.757 2.195 382 HB2 ARG 53 HB2 ARG 53 -10.274 1.104 3.215 383 HB3 ARG 53 HB1 ARG 53 -11.031 1.153 1.640 384 HG2 ARG 53 HG2 ARG 53 -9.764 -0.722 0.886 385 HG3 ARG 53 HG1 ARG 53 -8.765 -0.671 2.342 386 HD2 ARG 53 HD2 ARG 53 -10.757 -1.153 3.702 387 HD3 ARG 53 HD1 ARG 53 -11.721 -1.253 2.231 388 HE ARG 53 HE ARG 53 -9.590 -3.064 2.024 389 HH11 ARG 53 HH11 ARG 53 -12.540 -2.585 3.847 390 HH12 ARG 53 HH12 ARG 53 -12.773 -4.282 4.155 391 HH21 ARG 53 HH21 ARG 53 -9.896 -5.302 2.420 392 HH22 ARG 53 HH22 ARG 53 -11.288 -5.820 3.346 393 H VAL 54 HN VAL 54 -6.898 1.368 0.487 394 HA VAL 54 HA VAL 54 -8.033 1.866 -2.190 395 HB VAL 54 HB VAL 54 -5.764 2.864 -2.760 396 HG11 VAL 54 HG11 VAL 54 -6.325 5.053 -1.789 397 HG12 VAL 54 HG12 VAL 54 -7.485 4.270 -0.715 398 HG13 VAL 54 HG13 VAL 54 -7.743 4.245 -2.459 399 HG21 VAL 54 HG21 VAL 54 -5.534 2.913 0.252 400 HG22 VAL 54 HG22 VAL 54 -4.457 3.738 -0.875 401 HG23 VAL 54 HG23 VAL 54 -4.529 1.976 -0.857 402 H ALA 55 HN ALA 55 -6.603 1.050 -3.945 403 HA ALA 55 HA ALA 55 -5.341 -1.509 -3.185 404 HB1 ALA 55 HB1 ALA 55 -5.981 -2.355 -5.360 405 HB2 ALA 55 HB2 ALA 55 -6.642 -0.784 -5.812 406 HB3 ALA 55 HB3 ALA 55 -7.410 -1.727 -4.534 407 H PHE 56 HN PHE 56 -3.222 -1.678 -3.586 408 HA PHE 56 HA PHE 56 -1.991 0.089 -5.564 409 HB2 PHE 56 HB2 PHE 56 -0.201 0.653 -3.850 410 HB3 PHE 56 HB1 PHE 56 -1.752 1.439 -3.630 411 HD1 PHE 56 HD1 PHE 56 -3.251 0.728 -1.792 412 HD2 PHE 56 HD2 PHE 56 0.668 -0.869 -2.251 413 HE1 PHE 56 HE1 PHE 56 -3.312 -0.085 0.530 414 HE2 PHE 56 HE2 PHE 56 0.610 -1.688 0.069 415 HZ PHE 56 HZ PHE 56 -1.382 -1.296 1.460 416 H SER 57 HN SER 57 0.537 -0.369 -5.483 417 HA SER 57 HA SER 57 1.031 -3.153 -4.707 418 HB2 SER 57 HB2 SER 57 2.706 -2.858 -6.826 419 HB3 SER 57 HB1 SER 57 1.100 -3.565 -6.944 420 HG SER 57 HG SER 57 0.328 -1.415 -7.418 421 H PHE 58 HN PHE 58 3.663 -3.349 -4.914 422 HA PHE 58 HA PHE 58 5.075 -0.969 -4.282 423 HB2 PHE 58 HB2 PHE 58 5.625 -1.384 -1.975 424 HB3 PHE 58 HB1 PHE 58 3.873 -1.322 -2.125 425 HD1 PHE 58 HD1 PHE 58 2.583 -3.494 -2.148 426 HD2 PHE 58 HD2 PHE 58 6.701 -3.279 -1.095 427 HE1 PHE 58 HE1 PHE 58 2.412 -5.687 -1.044 428 HE2 PHE 58 HE2 PHE 58 6.537 -5.473 0.009 429 HZ PHE 58 HZ PHE 58 4.391 -6.678 0.031 430 H ARG 59 HN ARG 59 7.345 -1.411 -3.773 431 HA ARG 59 HA ARG 59 8.146 -4.100 -4.671 432 HB2 ARG 59 HB2 ARG 59 9.574 -1.480 -5.157 433 HB3 ARG 59 HB1 ARG 59 10.171 -3.066 -5.628 434 HG2 ARG 59 HG2 ARG 59 8.175 -3.332 -7.074 435 HG3 ARG 59 HG1 ARG 59 7.714 -1.677 -6.672 436 HD2 ARG 59 HD2 ARG 59 10.238 -2.556 -8.062 437 HD3 ARG 59 HD1 ARG 59 8.868 -1.726 -8.797 438 HE ARG 59 HE ARG 59 9.858 -0.180 -6.661 439 HH11 ARG 59 HH11 ARG 59 10.725 -1.211 -9.883 440 HH12 ARG 59 HH12 ARG 59 11.705 0.187 -10.212 441 HH21 ARG 59 HH21 ARG 59 11.135 1.648 -7.063 442 HH22 ARG 59 HH22 ARG 59 11.935 1.837 -8.600 443 H LEU 60 HN LEU 60 9.637 -5.161 -3.490 444 HA LEU 60 HA LEU 60 10.389 -3.936 -0.947 445 HB2 LEU 60 HB2 LEU 60 10.180 -6.752 -1.921 446 HB3 LEU 60 HB1 LEU 60 11.229 -6.392 -0.564 447 HG LEU 60 HG LEU 60 8.266 -5.813 -0.671 448 HD11 LEU 60 HD11 LEU 60 8.090 -7.619 0.974 449 HD12 LEU 60 HD12 LEU 60 9.815 -7.944 0.794 450 HD13 LEU 60 HD13 LEU 60 8.724 -8.200 -0.567 451 HD21 LEU 60 HD21 LEU 60 10.280 -5.539 1.562 452 HD22 LEU 60 HD22 LEU 60 8.535 -5.333 1.728 453 HD23 LEU 60 HD23 LEU 60 9.463 -4.219 0.723 454 H ASP 61 HN ASP 61 12.329 -3.174 -0.621 455 HA ASP 61 HA ASP 61 14.475 -3.807 -2.482 456 HB2 ASP 61 HB2 ASP 61 14.272 -1.822 -0.215 457 HB3 ASP 61 HB1 ASP 61 15.760 -2.113 -1.090 458 HA PRO 62 HA PRO 62 16.559 -6.787 -0.198 459 HB2 PRO 62 HB2 PRO 62 19.103 -5.313 -0.071 460 HB3 PRO 62 HB1 PRO 62 18.706 -6.791 -0.952 461 HG2 PRO 62 HG2 PRO 62 19.101 -4.467 -2.231 462 HG3 PRO 62 HG1 PRO 62 17.892 -5.640 -2.784 463 HD2 PRO 62 HD2 PRO 62 17.498 -3.133 -1.180 464 HD3 PRO 62 HD1 PRO 62 16.550 -3.740 -2.553 465 H HIS 63 HN HIS 63 16.205 -3.820 1.308 466 HA HIS 63 HA HIS 63 17.467 -4.729 3.794 467 HB2 HIS 63 HB2 HIS 63 16.755 -2.093 2.649 468 HB3 HIS 63 HB1 HIS 63 16.606 -2.271 4.387 469 HD1 HIS 63 HD1 HIS 63 18.685 -1.769 5.657 470 HD2 HIS 63 HD2 HIS 63 19.472 -2.917 1.737 471 HE1 HIS 63 HE1 HIS 63 21.175 -1.526 5.363 472 HE2 HIS 63 HE2 HIS 63 21.643 -2.438 3.056 473 H GLY 64 HN GLY 64 14.653 -5.093 2.302 474 HA2 GLY 64 HA2 GLY 64 12.615 -5.849 3.156 475 HA3 GLY 64 HA1 GLY 64 13.133 -5.355 4.764 476 H MET 65 HN MET 65 13.430 -3.210 2.088 477 HA MET 65 HA MET 65 11.775 -1.271 3.439 478 HB2 MET 65 HB2 MET 65 13.363 -1.117 0.872 479 HB3 MET 65 HB1 MET 65 12.467 0.229 1.562 480 HG2 MET 65 HG2 MET 65 14.666 -1.228 2.980 481 HG3 MET 65 HG1 MET 65 14.906 0.243 2.043 482 HE1 MET 65 HE1 MET 65 12.266 1.873 2.701 483 HE2 MET 65 HE2 MET 65 13.869 2.607 2.715 484 HE3 MET 65 HE3 MET 65 12.781 2.837 4.085 485 H ALA 66 HN ALA 66 9.805 -0.640 2.879 486 HA ALA 66 HA ALA 66 8.514 -2.109 0.686 487 HB1 ALA 66 HB1 ALA 66 7.568 -2.583 2.889 488 HB2 ALA 66 HB2 ALA 66 6.401 -1.725 1.884 489 HB3 ALA 66 HB3 ALA 66 7.279 -0.864 3.149 490 H THR 67 HN THR 67 8.746 -0.803 -1.034 491 HA THR 67 HA THR 67 8.211 2.052 -0.641 492 HB THR 67 HB THR 67 9.473 0.966 -3.129 493 HG1 THR 67 HG1 THR 67 11.024 0.164 -1.888 494 HG21 THR 67 HG21 THR 67 10.610 3.124 -3.063 495 HG22 THR 67 HG22 THR 67 9.872 3.471 -1.498 496 HG23 THR 67 HG23 THR 67 8.863 3.345 -2.940 497 H LEU 68 HN LEU 68 6.386 2.824 -1.334 498 HA LEU 68 HA LEU 68 4.435 1.237 -2.650 499 HB2 LEU 68 HB2 LEU 68 4.093 3.149 -1.002 500 HB3 LEU 68 HB1 LEU 68 4.445 4.229 -2.332 501 HG LEU 68 HG LEU 68 2.494 3.366 -3.552 502 HD11 LEU 68 HD11 LEU 68 2.424 1.126 -2.608 503 HD12 LEU 68 HD12 LEU 68 0.880 1.949 -2.375 504 HD13 LEU 68 HD13 LEU 68 2.008 1.790 -1.026 505 HD21 LEU 68 HD21 LEU 68 1.950 4.356 -0.754 506 HD22 LEU 68 HD22 LEU 68 0.793 4.377 -2.084 507 HD23 LEU 68 HD23 LEU 68 2.261 5.349 -2.176 508 H VAL 69 HN VAL 69 3.715 1.315 -4.769 509 HA VAL 69 HA VAL 69 5.518 2.728 -6.604 510 HB VAL 69 HB VAL 69 4.690 1.018 -8.280 511 HG11 VAL 69 HG11 VAL 69 6.291 -0.644 -7.586 512 HG12 VAL 69 HG12 VAL 69 6.192 -0.078 -5.917 513 HG13 VAL 69 HG13 VAL 69 6.916 0.953 -7.158 514 HG21 VAL 69 HG21 VAL 69 3.792 -0.385 -5.818 515 HG22 VAL 69 HG22 VAL 69 3.876 -1.073 -7.439 516 HG23 VAL 69 HG23 VAL 69 2.755 0.244 -7.096 517 H THR 70 HN THR 70 2.185 1.467 -6.676 518 HA THR 70 HA THR 70 1.234 4.088 -7.576 519 HB THR 70 HB THR 70 -0.196 2.937 -9.309 520 HG1 THR 70 HG1 THR 70 1.612 0.819 -9.447 521 HG21 THR 70 HG21 THR 70 2.791 2.773 -9.732 522 HG22 THR 70 HG22 THR 70 1.783 4.196 -9.993 523 HG23 THR 70 HG23 THR 70 1.573 2.769 -11.008 524 H VAL 71 HN VAL 71 -0.872 4.505 -6.886 525 HA VAL 71 HA VAL 71 -2.303 2.279 -5.642 526 HB VAL 71 HB VAL 71 -1.106 3.529 -3.854 527 HG11 VAL 71 HG11 VAL 71 -1.201 5.766 -4.873 528 HG12 VAL 71 HG12 VAL 71 -1.823 5.748 -3.223 529 HG13 VAL 71 HG13 VAL 71 -2.943 5.801 -4.583 530 HG21 VAL 71 HG21 VAL 71 -4.108 3.742 -3.763 531 HG22 VAL 71 HG22 VAL 71 -3.022 3.746 -2.372 532 HG23 VAL 71 HG23 VAL 71 -3.158 2.306 -3.381 533 H ALA 72 HN ALA 72 -4.452 2.291 -5.909 534 HA ALA 72 HA ALA 72 -5.675 4.657 -7.167 535 HB1 ALA 72 HB1 ALA 72 -5.283 2.915 -8.860 536 HB2 ALA 72 HB2 ALA 72 -7.005 3.185 -8.587 537 HB3 ALA 72 HB3 ALA 72 -6.213 1.771 -7.888 538 HA PRO 73 HA PRO 73 -8.595 4.352 -3.866 539 HB2 PRO 73 HB2 PRO 73 -10.754 5.497 -5.100 540 HB3 PRO 73 HB1 PRO 73 -9.408 6.415 -4.420 541 HG2 PRO 73 HG2 PRO 73 -9.928 5.638 -7.261 542 HG3 PRO 73 HG1 PRO 73 -9.311 7.169 -6.609 543 HD2 PRO 73 HD2 PRO 73 -7.687 5.332 -7.728 544 HD3 PRO 73 HD1 PRO 73 -7.164 6.349 -6.371 545 H GLN 74 HN GLN 74 -9.700 2.642 -3.228 546 HA GLN 74 HA GLN 74 -11.459 1.292 -5.140 547 HB2 GLN 74 HB2 GLN 74 -10.785 -0.863 -4.468 548 HB3 GLN 74 HB1 GLN 74 -9.287 0.024 -4.712 549 HG2 GLN 74 HG2 GLN 74 -8.818 0.122 -2.463 550 HG3 GLN 74 HG1 GLN 74 -10.502 -0.107 -1.994 551 HE21 GLN 74 HE21 GLN 74 -8.135 -1.521 -1.104 552 HE22 GLN 74 HE22 GLN 74 -8.419 -3.184 -1.463 553 H VAL 75 HN VAL 75 -12.762 -0.430 -3.665 554 HA VAL 75 HA VAL 75 -13.710 1.041 -1.336 555 HB VAL 75 HB VAL 75 -16.084 0.526 -1.949 556 HG11 VAL 75 HG11 VAL 75 -15.231 2.761 -2.221 557 HG12 VAL 75 HG12 VAL 75 -16.279 2.380 -3.587 558 HG13 VAL 75 HG13 VAL 75 -14.527 2.343 -3.782 559 HG21 VAL 75 HG21 VAL 75 -15.695 -1.226 -3.603 560 HG22 VAL 75 HG22 VAL 75 -14.914 -0.060 -4.671 561 HG23 VAL 75 HG23 VAL 75 -16.631 0.098 -4.297 562 H GLN 76 HN GLN 76 -13.038 -0.279 0.144 563 HA GLN 76 HA GLN 76 -12.537 -2.149 1.261 564 HB2 GLN 76 HB2 GLN 76 -14.456 -3.722 1.676 565 HB3 GLN 76 HB1 GLN 76 -14.726 -2.038 2.087 566 HG2 GLN 76 HG2 GLN 76 -15.935 -1.789 -0.085 567 HG3 GLN 76 HG1 GLN 76 -15.777 -3.531 -0.304 568 HE21 GLN 76 HE21 GLN 76 -16.937 -4.918 1.061 569 HE22 GLN 76 HE22 GLN 76 -18.290 -4.364 1.983 570 H THR 77 HN THR 77 -14.479 -4.425 -0.233 571 HA THR 77 HA THR 77 -12.103 -5.669 -1.374 572 HB THR 77 HB THR 77 -14.843 -6.866 -0.991 573 HG1 THR 77 HG1 THR 77 -12.473 -7.043 0.606 574 HG21 THR 77 HG21 THR 77 -12.162 -8.137 -1.558 575 HG22 THR 77 HG22 THR 77 -13.513 -8.021 -2.685 576 HG23 THR 77 HG23 THR 77 -13.657 -9.012 -1.234 577 H ALA 78 HN ALA 78 -11.888 -4.455 -3.216 578 HA ALA 78 HA ALA 78 -13.964 -4.402 -5.217 579 HB1 ALA 78 HB1 ALA 78 -11.049 -3.649 -5.439 580 HB2 ALA 78 HB2 ALA 78 -12.372 -2.552 -5.041 581 HB3 ALA 78 HB3 ALA 78 -12.303 -3.309 -6.632 582 H GLY 79 HN GLY 79 -11.281 -6.414 -4.373 583 HA2 GLY 79 HA2 GLY 79 -12.107 -8.409 -6.282 584 HA3 GLY 79 HA1 GLY 79 -10.530 -7.710 -6.632 585 H ALA 80 HN ALA 80 -8.837 -8.658 -5.753 586 HA ALA 80 HA ALA 80 -7.459 -9.723 -4.307 587 HB1 ALA 80 HB1 ALA 80 -7.977 -9.904 -1.962 588 HB2 ALA 80 HB2 ALA 80 -9.680 -9.577 -2.278 589 HB3 ALA 80 HB3 ALA 80 -8.477 -8.319 -2.555 590 H LYS 81 HN LYS 81 -10.737 -11.017 -3.744 591 HA LYS 81 HA LYS 81 -9.599 -13.720 -3.948 592 HB2 LYS 81 HB2 LYS 81 -12.117 -12.669 -2.683 593 HB3 LYS 81 HB1 LYS 81 -11.897 -14.380 -3.012 594 HG2 LYS 81 HG2 LYS 81 -9.945 -14.429 -1.580 595 HG3 LYS 81 HG1 LYS 81 -10.090 -12.696 -1.295 596 HD2 LYS 81 HD2 LYS 81 -10.992 -13.906 0.590 597 HD3 LYS 81 HD1 LYS 81 -12.296 -13.081 -0.261 598 HE2 LYS 81 HE2 LYS 81 -11.631 -15.953 -0.827 599 HE3 LYS 81 HE1 LYS 81 -12.671 -15.506 0.522 600 HZ1 LYS 81 HZ1 LYS 81 -14.123 -15.930 -1.230 601 HZ2 LYS 81 HZ2 LYS 81 -13.159 -15.139 -2.374 602 HZ3 LYS 81 HZ3 LYS 81 -14.011 -14.239 -1.213 603 HA PRO 82 HA PRO 82 -11.863 -13.881 -7.848 604 HB2 PRO 82 HB2 PRO 82 -10.078 -15.913 -8.725 605 HB3 PRO 82 HB1 PRO 82 -10.076 -14.214 -9.199 606 HG2 PRO 82 HG2 PRO 82 -8.095 -15.488 -7.713 607 HG3 PRO 82 HG1 PRO 82 -8.326 -13.737 -7.836 608 HD2 PRO 82 HD2 PRO 82 -9.152 -15.614 -5.667 609 HD3 PRO 82 HD1 PRO 82 -8.595 -13.930 -5.556
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