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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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651477 |
7jgi ![]() ![]() |
30774 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -4.750 10.812 19.029 2 H2 MET 1 HT2 MET 1 -3.600 9.570 19.174 3 H3 MET 1 HT3 MET 1 -5.245 9.191 18.978 4 HA MET 1 HA MET 1 -4.646 10.791 16.831 5 HB2 MET 1 HB2 MET 1 -2.232 9.896 17.776 6 HB3 MET 1 HB1 MET 1 -2.657 8.620 16.634 7 HG2 MET 1 HG2 MET 1 -1.395 10.407 15.505 8 HG3 MET 1 HG1 MET 1 -3.042 10.319 14.882 9 HE1 MET 1 HE1 MET 1 -3.641 11.949 14.030 10 HE2 MET 1 HE2 MET 1 -3.027 13.589 14.225 11 HE3 MET 1 HE3 MET 1 -4.563 13.138 14.961 12 H ASP 2 HN ASP 2 -6.705 9.935 16.381 13 HA ASP 2 HA ASP 2 -7.354 7.193 16.373 14 HB2 ASP 2 HB2 ASP 2 -8.512 9.566 14.897 15 HB3 ASP 2 HB1 ASP 2 -9.190 7.944 14.766 16 H ASP 3 HN ASP 3 -6.863 5.588 14.993 17 HA ASP 3 HA ASP 3 -5.051 6.013 12.829 18 HB2 ASP 3 HB2 ASP 3 -6.692 3.609 13.493 19 HB3 ASP 3 HB1 ASP 3 -5.353 3.641 12.368 20 H ILE 4 HN ILE 4 -8.526 5.424 13.053 21 HA ILE 4 HA ILE 4 -9.034 5.000 10.334 22 HB ILE 4 HB ILE 4 -10.706 4.637 12.104 23 HG12 ILE 4 HG12 ILE 4 -11.173 5.306 9.583 24 HG13 ILE 4 HG11 ILE 4 -12.509 5.139 10.727 25 HG21 ILE 4 HG21 ILE 4 -10.787 7.659 12.218 26 HG22 ILE 4 HG22 ILE 4 -10.131 6.603 13.467 27 HG23 ILE 4 HG23 ILE 4 -11.855 6.567 13.099 28 HD11 ILE 4 HD11 ILE 4 -12.921 7.391 10.773 29 HD12 ILE 4 HD12 ILE 4 -12.141 7.342 9.191 30 HD13 ILE 4 HD13 ILE 4 -11.215 7.803 10.618 31 H TYR 5 HN TYR 5 -8.881 7.998 12.216 32 HA TYR 5 HA TYR 5 -9.434 9.685 9.967 33 HB2 TYR 5 HB2 TYR 5 -8.225 10.288 12.650 34 HB3 TYR 5 HB1 TYR 5 -8.674 11.510 11.474 35 HD1 TYR 5 HD1 TYR 5 -9.852 11.454 14.193 36 HD2 TYR 5 HD2 TYR 5 -11.088 9.495 10.591 37 HE1 TYR 5 HE1 TYR 5 -12.171 11.403 15.014 38 HE2 TYR 5 HE2 TYR 5 -13.424 9.439 11.419 39 HH TYR 5 HH TYR 5 -14.540 9.480 13.764 40 H LYS 6 HN LYS 6 -6.615 8.255 11.419 41 HA LYS 6 HA LYS 6 -4.624 9.890 10.298 42 HB2 LYS 6 HB2 LYS 6 -4.129 8.193 12.023 43 HB3 LYS 6 HB1 LYS 6 -4.579 6.892 10.912 44 HG2 LYS 6 HG2 LYS 6 -2.275 6.932 10.591 45 HG3 LYS 6 HG1 LYS 6 -2.778 8.080 9.349 46 HD2 LYS 6 HD2 LYS 6 -2.058 8.944 12.157 47 HD3 LYS 6 HD1 LYS 6 -0.865 8.847 10.862 48 HE2 LYS 6 HE2 LYS 6 -2.829 10.255 9.608 49 HE3 LYS 6 HE1 LYS 6 -3.060 10.799 11.269 50 HZ1 LYS 6 HZ1 LYS 6 -0.394 10.742 9.988 51 HZ2 LYS 6 HZ2 LYS 6 -0.869 11.569 11.394 52 HZ3 LYS 6 HZ3 LYS 6 -1.420 12.087 9.873 53 H ALA 7 HN ALA 7 -6.238 6.978 9.127 54 HA ALA 7 HA ALA 7 -4.949 6.805 6.615 55 HB1 ALA 7 HB1 ALA 7 -6.408 5.052 7.827 56 HB2 ALA 7 HB2 ALA 7 -6.593 5.197 6.075 57 HB3 ALA 7 HB3 ALA 7 -7.788 5.927 7.157 58 H ALA 8 HN ALA 8 -7.758 8.551 7.811 59 HA ALA 8 HA ALA 8 -8.891 9.412 5.388 60 HB1 ALA 8 HB1 ALA 8 -10.215 9.976 7.226 61 HB2 ALA 8 HB2 ALA 8 -9.422 11.527 6.937 62 HB3 ALA 8 HB3 ALA 8 -8.832 10.459 8.217 63 H VAL 9 HN VAL 9 -6.255 10.743 7.346 64 HA VAL 9 HA VAL 9 -5.857 13.098 5.850 65 HB VAL 9 HB VAL 9 -3.930 11.424 7.484 66 HG11 VAL 9 HG11 VAL 9 -2.524 12.688 6.086 67 HG12 VAL 9 HG12 VAL 9 -2.697 13.718 7.512 68 HG13 VAL 9 HG13 VAL 9 -3.634 14.063 6.057 69 HG21 VAL 9 HG21 VAL 9 -4.501 12.765 9.286 70 HG22 VAL 9 HG22 VAL 9 -6.048 12.697 8.436 71 HG23 VAL 9 HG23 VAL 9 -5.002 14.099 8.252 72 H GLU 10 HN GLU 10 -4.370 9.879 5.668 73 HA GLU 10 HA GLU 10 -2.696 10.453 3.443 74 HB2 GLU 10 HB2 GLU 10 -3.715 7.875 4.643 75 HB3 GLU 10 HB1 GLU 10 -2.621 7.919 3.250 76 HG2 GLU 10 HG2 GLU 10 -0.989 9.197 4.540 77 HG3 GLU 10 HG1 GLU 10 -2.089 9.241 5.914 78 H GLN 11 HN GLN 11 -6.020 9.643 3.780 79 HA GLN 11 HA GLN 11 -6.491 8.660 1.152 80 HB2 GLN 11 HB2 GLN 11 -8.195 9.676 3.382 81 HB3 GLN 11 HB1 GLN 11 -8.911 9.384 1.812 82 HG2 GLN 11 HG2 GLN 11 -7.192 7.181 2.560 83 HG3 GLN 11 HG1 GLN 11 -8.401 7.476 3.810 84 HE21 GLN 11 HE21 GLN 11 -9.373 5.352 3.054 85 HE22 GLN 11 HE22 GLN 11 -10.381 5.365 1.688 86 H LEU 12 HN LEU 12 -6.574 11.876 2.627 87 HA LEU 12 HA LEU 12 -7.867 13.239 0.546 88 HB2 LEU 12 HB2 LEU 12 -5.669 14.277 2.358 89 HB3 LEU 12 HB1 LEU 12 -6.782 15.268 1.416 90 HG LEU 12 HG LEU 12 -7.502 13.376 3.668 91 HD11 LEU 12 HD11 LEU 12 -6.536 15.724 4.116 92 HD12 LEU 12 HD12 LEU 12 -8.049 15.287 4.910 93 HD13 LEU 12 HD13 LEU 12 -8.070 16.323 3.484 94 HD21 LEU 12 HD21 LEU 12 -9.101 14.699 1.510 95 HD22 LEU 12 HD22 LEU 12 -9.807 14.635 3.129 96 HD23 LEU 12 HD23 LEU 12 -9.360 13.141 2.301 97 H THR 13 HN THR 13 -7.292 13.728 -1.467 98 HA THR 13 HA THR 13 -4.924 12.752 -2.653 99 HB THR 13 HB THR 13 -6.904 13.137 -4.001 100 HG1 THR 13 HG1 THR 13 -5.547 13.535 -5.527 101 HG21 THR 13 HG21 THR 13 -6.917 15.955 -4.306 102 HG22 THR 13 HG22 THR 13 -6.923 15.630 -2.574 103 HG23 THR 13 HG23 THR 13 -8.179 14.943 -3.603 104 H GLU 14 HN GLU 14 -3.438 14.258 -3.937 105 HA GLU 14 HA GLU 14 -1.923 15.778 -2.123 106 HB2 GLU 14 HB2 GLU 14 -1.961 15.731 -5.138 107 HB3 GLU 14 HB1 GLU 14 -0.758 16.599 -4.184 108 HG2 GLU 14 HG2 GLU 14 -1.322 13.637 -3.898 109 HG3 GLU 14 HG1 GLU 14 -0.023 14.298 -4.890 110 H GLU 15 HN GLU 15 -4.340 16.716 -4.538 111 HA GLU 15 HA GLU 15 -3.985 19.531 -4.182 112 HB2 GLU 15 HB2 GLU 15 -5.231 18.036 -6.053 113 HB3 GLU 15 HB1 GLU 15 -6.619 18.529 -5.076 114 HG2 GLU 15 HG2 GLU 15 -6.554 20.562 -6.029 115 HG3 GLU 15 HG1 GLU 15 -4.937 20.804 -5.364 116 H GLN 16 HN GLN 16 -6.443 17.226 -3.003 117 HA GLN 16 HA GLN 16 -7.963 19.098 -1.551 118 HB2 GLN 16 HB2 GLN 16 -8.729 16.797 -2.145 119 HB3 GLN 16 HB1 GLN 16 -7.616 16.154 -0.936 120 HG2 GLN 16 HG2 GLN 16 -8.756 17.382 0.830 121 HG3 GLN 16 HG1 GLN 16 -9.823 18.138 -0.351 122 HE21 GLN 16 HE21 GLN 16 -11.265 16.821 1.478 123 HE22 GLN 16 HE22 GLN 16 -11.777 15.297 0.934 124 H LYS 17 HN LYS 17 -5.262 17.021 -0.603 125 HA LYS 17 HA LYS 17 -5.283 17.736 2.141 126 HB2 LYS 17 HB2 LYS 17 -4.096 15.756 0.912 127 HB3 LYS 17 HB1 LYS 17 -2.785 16.916 0.694 128 HG2 LYS 17 HG2 LYS 17 -2.848 17.352 3.169 129 HG3 LYS 17 HG1 LYS 17 -4.016 16.033 3.330 130 HD2 LYS 17 HD2 LYS 17 -1.216 15.783 2.169 131 HD3 LYS 17 HD1 LYS 17 -1.709 15.255 3.779 132 HE2 LYS 17 HE2 LYS 17 -3.368 13.720 2.743 133 HE3 LYS 17 HE1 LYS 17 -2.797 14.208 1.149 134 HZ1 LYS 17 HZ1 LYS 17 -1.022 13.067 3.229 135 HZ2 LYS 17 HZ2 LYS 17 -0.668 13.317 1.586 136 HZ3 LYS 17 HZ3 LYS 17 -1.788 12.125 2.045 137 H ASN 18 HN ASN 18 -3.760 19.084 -0.737 138 HA ASN 18 HA ASN 18 -1.938 20.846 0.474 139 HB2 ASN 18 HB2 ASN 18 -2.141 20.295 -2.003 140 HB3 ASN 18 HB1 ASN 18 -3.517 21.394 -2.051 141 HD21 ASN 18 HD21 ASN 18 -2.515 23.051 -3.325 142 HD22 ASN 18 HD22 ASN 18 -1.191 23.956 -2.766 143 H GLU 19 HN GLU 19 -5.368 21.296 -0.407 144 HA GLU 19 HA GLU 19 -5.557 24.008 0.359 145 HB2 GLU 19 HB2 GLU 19 -7.462 21.806 -0.157 146 HB3 GLU 19 HB1 GLU 19 -8.064 23.132 0.823 147 HG2 GLU 19 HG2 GLU 19 -7.573 24.708 -0.877 148 HG3 GLU 19 HG1 GLU 19 -6.641 23.543 -1.808 149 H PHE 20 HN PHE 20 -6.141 20.994 2.123 150 HA PHE 20 HA PHE 20 -6.942 22.220 4.549 151 HB2 PHE 20 HB2 PHE 20 -5.809 19.498 3.880 152 HB3 PHE 20 HB1 PHE 20 -6.230 19.945 5.527 153 HD1 PHE 20 HD1 PHE 20 -7.645 17.705 4.553 154 HD2 PHE 20 HD2 PHE 20 -8.447 21.856 3.790 155 HE1 PHE 20 HE1 PHE 20 -10.020 17.165 4.094 156 HE2 PHE 20 HE2 PHE 20 -10.822 21.314 3.332 157 HZ PHE 20 HZ PHE 20 -11.609 18.969 3.483 158 H LYS 21 HN LYS 21 -3.813 21.252 3.244 159 HA LYS 21 HA LYS 21 -2.249 21.635 5.537 160 HB2 LYS 21 HB2 LYS 21 -1.438 20.563 3.447 161 HB3 LYS 21 HB1 LYS 21 -1.459 22.140 2.656 162 HG2 LYS 21 HG2 LYS 21 0.798 21.727 3.431 163 HG3 LYS 21 HG1 LYS 21 0.091 22.978 4.458 164 HD2 LYS 21 HD2 LYS 21 -0.455 21.321 6.168 165 HD3 LYS 21 HD1 LYS 21 0.143 20.025 5.125 166 HE2 LYS 21 HE2 LYS 21 1.831 22.329 6.154 167 HE3 LYS 21 HE1 LYS 21 1.814 20.709 6.851 168 HZ1 LYS 21 HZ1 LYS 21 2.299 20.020 4.403 169 HZ2 LYS 21 HZ2 LYS 21 3.560 20.556 5.408 170 HZ3 LYS 21 HZ3 LYS 21 2.873 21.610 4.267 171 H ALA 22 HN ALA 22 -3.356 23.884 3.048 172 HA ALA 22 HA ALA 22 -1.879 26.147 3.821 173 HB1 ALA 22 HB1 ALA 22 -3.739 27.424 2.725 174 HB2 ALA 22 HB2 ALA 22 -4.635 25.909 2.585 175 HB3 ALA 22 HB3 ALA 22 -3.106 26.114 1.726 176 H ALA 23 HN ALA 23 -5.037 24.913 4.883 177 HA ALA 23 HA ALA 23 -5.684 27.057 6.614 178 HB1 ALA 23 HB1 ALA 23 -6.576 24.240 6.289 179 HB2 ALA 23 HB2 ALA 23 -7.522 25.726 6.347 180 HB3 ALA 23 HB3 ALA 23 -6.915 25.011 7.839 181 H PHE 24 HN PHE 24 -3.806 24.106 7.077 182 HA PHE 24 HA PHE 24 -3.482 24.160 9.841 183 HB2 PHE 24 HB2 PHE 24 -2.669 22.242 8.810 184 HB3 PHE 24 HB1 PHE 24 -1.784 23.145 7.594 185 HD1 PHE 24 HD1 PHE 24 -1.867 22.564 11.318 186 HD2 PHE 24 HD2 PHE 24 0.489 23.544 7.859 187 HE1 PHE 24 HE1 PHE 24 0.190 22.485 12.694 188 HE2 PHE 24 HE2 PHE 24 2.544 23.463 9.240 189 HZ PHE 24 HZ PHE 24 2.395 22.935 11.657 190 H ASP 25 HN ASP 25 -1.438 25.626 7.317 191 HA ASP 25 HA ASP 25 0.436 26.813 9.056 192 HB2 ASP 25 HB2 ASP 25 0.745 26.493 6.598 193 HB3 ASP 25 HB1 ASP 25 -0.395 27.809 6.332 194 H ILE 26 HN ILE 26 -2.626 27.960 7.727 195 HA ILE 26 HA ILE 26 -2.508 30.637 8.520 196 HB ILE 26 HB ILE 26 -4.665 28.688 7.896 197 HG12 ILE 26 HG12 ILE 26 -5.190 31.180 6.787 198 HG13 ILE 26 HG11 ILE 26 -3.429 31.100 6.812 199 HG21 ILE 26 HG21 ILE 26 -5.889 29.535 9.661 200 HG22 ILE 26 HG22 ILE 26 -6.247 30.759 8.444 201 HG23 ILE 26 HG23 ILE 26 -5.018 31.068 9.670 202 HD11 ILE 26 HD11 ILE 26 -3.352 29.359 5.319 203 HD12 ILE 26 HD12 ILE 26 -4.901 30.037 4.817 204 HD13 ILE 26 HD13 ILE 26 -4.857 28.652 5.908 205 H PHE 27 HN PHE 27 -3.640 27.782 10.338 206 HA PHE 27 HA PHE 27 -4.482 29.189 12.633 207 HB2 PHE 27 HB2 PHE 27 -3.653 26.363 12.102 208 HB3 PHE 27 HB1 PHE 27 -3.871 26.911 13.761 209 HD1 PHE 27 HD1 PHE 27 -5.587 26.988 10.463 210 HD2 PHE 27 HD2 PHE 27 -5.975 26.878 14.723 211 HE1 PHE 27 HE1 PHE 27 -8.028 26.733 10.228 212 HE2 PHE 27 HE2 PHE 27 -8.433 26.639 14.500 213 HZ PHE 27 HZ PHE 27 -9.464 26.568 12.245 214 H VAL 28 HN VAL 28 -1.365 27.758 11.744 215 HA VAL 28 HA VAL 28 -0.165 28.869 14.181 216 HB VAL 28 HB VAL 28 1.882 27.598 13.340 217 HG11 VAL 28 HG11 VAL 28 -0.720 26.289 14.113 218 HG12 VAL 28 HG12 VAL 28 0.650 26.682 15.145 219 HG13 VAL 28 HG13 VAL 28 0.777 25.369 13.974 220 HG21 VAL 28 HG21 VAL 28 -0.007 25.952 11.726 221 HG22 VAL 28 HG22 VAL 28 1.724 26.222 11.505 222 HG23 VAL 28 HG23 VAL 28 0.566 27.456 11.003 223 H LEU 29 HN LEU 29 -0.968 30.179 11.433 224 HA LEU 29 HA LEU 29 1.150 31.116 10.013 225 HB2 LEU 29 HB2 LEU 29 -1.448 31.788 10.110 226 HB3 LEU 29 HB1 LEU 29 -0.776 33.192 10.930 227 HG LEU 29 HG LEU 29 0.856 32.595 8.651 228 HD11 LEU 29 HD11 LEU 29 -1.065 31.474 7.669 229 HD12 LEU 29 HD12 LEU 29 -0.892 33.049 6.897 230 HD13 LEU 29 HD13 LEU 29 -2.129 32.804 8.131 231 HD21 LEU 29 HD21 LEU 29 -0.579 34.795 9.919 232 HD22 LEU 29 HD22 LEU 29 -0.622 34.913 8.160 233 HD23 LEU 29 HD23 LEU 29 0.926 34.829 9.000 234 H GLY 30 HN GLY 30 3.097 31.642 10.832 235 HA2 GLY 30 HA2 GLY 30 4.580 33.227 11.759 236 HA3 GLY 30 HA1 GLY 30 3.253 33.885 12.708 237 H ALA 31 HN ALA 31 3.388 30.486 12.803 238 HA ALA 31 HA ALA 31 4.199 30.546 15.593 239 HB1 ALA 31 HB1 ALA 31 3.332 28.383 15.750 240 HB2 ALA 31 HB2 ALA 31 3.659 28.022 14.055 241 HB3 ALA 31 HB3 ALA 31 2.324 29.090 14.487 242 H GLU 32 HN GLU 32 6.181 30.085 16.351 243 HA GLU 32 HA GLU 32 8.372 29.718 14.602 244 HB2 GLU 32 HB2 GLU 32 8.133 29.328 17.589 245 HB3 GLU 32 HB1 GLU 32 9.654 29.213 16.705 246 HG2 GLU 32 HG2 GLU 32 9.719 31.449 17.287 247 HG3 GLU 32 HG1 GLU 32 8.868 31.568 15.748 248 H ASP 33 HN ASP 33 6.517 27.460 16.602 249 HA ASP 33 HA ASP 33 8.156 25.203 15.760 250 HB2 ASP 33 HB2 ASP 33 6.289 23.961 17.094 251 HB3 ASP 33 HB1 ASP 33 7.464 24.943 17.968 252 H GLY 34 HN GLY 34 5.251 26.793 14.815 253 HA2 GLY 34 HA2 GLY 34 4.013 26.485 12.873 254 HA3 GLY 34 HA1 GLY 34 4.941 25.027 12.540 255 H SER 35 HN SER 35 4.016 24.736 15.668 256 HA SER 35 HA SER 35 1.862 22.902 14.974 257 HB2 SER 35 HB2 SER 35 2.052 22.081 17.199 258 HB3 SER 35 HB1 SER 35 3.689 22.373 16.654 259 HG SER 35 HG SER 35 2.747 24.629 17.684 260 H ILE 36 HN ILE 36 -0.260 23.231 15.356 261 HA ILE 36 HA ILE 36 -1.147 25.912 15.940 262 HB ILE 36 HB ILE 36 -2.663 23.324 15.543 263 HG12 ILE 36 HG12 ILE 36 -2.350 25.623 13.612 264 HG13 ILE 36 HG11 ILE 36 -1.268 24.227 13.610 265 HG21 ILE 36 HG21 ILE 36 -4.442 25.209 14.895 266 HG22 ILE 36 HG22 ILE 36 -3.524 26.118 16.096 267 HG23 ILE 36 HG23 ILE 36 -4.291 24.591 16.540 268 HD11 ILE 36 HD11 ILE 36 -2.870 22.821 12.777 269 HD12 ILE 36 HD12 ILE 36 -3.564 24.325 12.166 270 HD13 ILE 36 HD13 ILE 36 -4.172 23.614 13.664 271 H SER 37 HN SER 37 -0.953 26.576 17.986 272 HA SER 37 HA SER 37 -1.805 24.783 20.159 273 HB2 SER 37 HB2 SER 37 -0.554 26.186 21.642 274 HB3 SER 37 HB1 SER 37 0.474 25.901 20.241 275 HG SER 37 HG SER 37 -0.682 27.945 19.472 276 H THR 38 HN THR 38 -2.804 26.228 22.062 277 HA THR 38 HA THR 38 -5.322 27.060 21.211 278 HB THR 38 HB THR 38 -5.340 28.359 23.419 279 HG1 THR 38 HG1 THR 38 -2.778 27.974 23.190 280 HG21 THR 38 HG21 THR 38 -6.159 26.031 22.963 281 HG22 THR 38 HG22 THR 38 -5.678 26.334 24.636 282 HG23 THR 38 HG23 THR 38 -4.609 25.429 23.559 283 H LYS 39 HN LYS 39 -2.346 28.940 21.661 284 HA LYS 39 HA LYS 39 -3.555 31.459 21.166 285 HB2 LYS 39 HB2 LYS 39 -0.718 30.466 21.016 286 HB3 LYS 39 HB1 LYS 39 -1.140 32.112 20.545 287 HG2 LYS 39 HG2 LYS 39 -2.429 31.999 22.909 288 HG3 LYS 39 HG1 LYS 39 -1.121 30.860 23.242 289 HD2 LYS 39 HD2 LYS 39 -0.121 32.884 23.836 290 HD3 LYS 39 HD1 LYS 39 0.386 32.726 22.153 291 HE2 LYS 39 HE2 LYS 39 -1.870 33.995 21.658 292 HE3 LYS 39 HE1 LYS 39 -1.714 34.518 23.334 293 HZ1 LYS 39 HZ1 LYS 39 0.777 34.772 22.068 294 HZ2 LYS 39 HZ2 LYS 39 -0.211 35.994 22.714 295 HZ3 LYS 39 HZ3 LYS 39 -0.392 35.519 21.093 296 H GLU 40 HN GLU 40 -1.887 29.132 19.070 297 HA GLU 40 HA GLU 40 -2.186 30.728 16.705 298 HB2 GLU 40 HB2 GLU 40 -1.546 27.795 17.058 299 HB3 GLU 40 HB1 GLU 40 -1.494 28.640 15.520 300 HG2 GLU 40 HG2 GLU 40 0.180 29.201 17.965 301 HG3 GLU 40 HG1 GLU 40 0.736 28.620 16.405 302 H LEU 41 HN LEU 41 -4.171 28.576 18.474 303 HA LEU 41 HA LEU 41 -5.915 27.910 16.267 304 HB2 LEU 41 HB2 LEU 41 -5.423 26.526 18.406 305 HB3 LEU 41 HB1 LEU 41 -6.636 27.562 19.156 306 HG LEU 41 HG LEU 41 -7.654 26.766 16.620 307 HD11 LEU 41 HD11 LEU 41 -7.428 24.232 18.033 308 HD12 LEU 41 HD12 LEU 41 -5.846 24.837 17.541 309 HD13 LEU 41 HD13 LEU 41 -7.112 24.595 16.337 310 HD21 LEU 41 HD21 LEU 41 -8.992 27.329 18.571 311 HD22 LEU 41 HD22 LEU 41 -8.311 25.966 19.468 312 HD23 LEU 41 HD23 LEU 41 -9.364 25.676 18.079 313 H GLY 42 HN GLY 42 -6.098 29.974 19.165 314 HA2 GLY 42 HA2 GLY 42 -8.687 30.950 18.704 315 HA3 GLY 42 HA1 GLY 42 -7.472 31.762 19.663 316 H LYS 43 HN LYS 43 -5.522 32.088 17.516 317 HA LYS 43 HA LYS 43 -6.195 34.565 16.495 318 HB2 LYS 43 HB2 LYS 43 -4.513 34.006 14.645 319 HB3 LYS 43 HB1 LYS 43 -3.931 33.870 16.303 320 HG2 LYS 43 HG2 LYS 43 -3.381 31.760 15.894 321 HG3 LYS 43 HG1 LYS 43 -5.083 31.382 15.668 322 HD2 LYS 43 HD2 LYS 43 -4.138 30.727 13.620 323 HD3 LYS 43 HD1 LYS 43 -4.711 32.360 13.269 324 HE2 LYS 43 HE2 LYS 43 -1.944 32.007 14.359 325 HE3 LYS 43 HE1 LYS 43 -2.236 31.661 12.654 326 HZ1 LYS 43 HZ1 LYS 43 -2.291 34.191 14.071 327 HZ2 LYS 43 HZ2 LYS 43 -3.525 33.969 12.925 328 HZ3 LYS 43 HZ3 LYS 43 -1.896 33.860 12.455 329 H VAL 44 HN VAL 44 -6.405 31.477 14.691 330 HA VAL 44 HA VAL 44 -7.849 32.528 12.473 331 HB VAL 44 HB VAL 44 -7.338 29.744 13.536 332 HG11 VAL 44 HG11 VAL 44 -9.609 29.722 12.668 333 HG12 VAL 44 HG12 VAL 44 -8.514 28.888 11.557 334 HG13 VAL 44 HG13 VAL 44 -9.068 30.527 11.192 335 HG21 VAL 44 HG21 VAL 44 -5.623 31.100 12.245 336 HG22 VAL 44 HG22 VAL 44 -6.723 31.022 10.870 337 HG23 VAL 44 HG23 VAL 44 -6.037 29.539 11.537 338 H MET 45 HN MET 45 -8.794 31.149 15.565 339 HA MET 45 HA MET 45 -11.536 30.782 15.071 340 HB2 MET 45 HB2 MET 45 -10.002 31.518 17.566 341 HB3 MET 45 HB1 MET 45 -11.719 31.149 17.583 342 HG2 MET 45 HG2 MET 45 -9.641 29.268 16.460 343 HG3 MET 45 HG1 MET 45 -10.211 29.191 18.128 344 HE1 MET 45 HE1 MET 45 -13.289 29.714 18.143 345 HE2 MET 45 HE2 MET 45 -12.226 28.560 18.950 346 HE3 MET 45 HE3 MET 45 -13.670 27.984 18.101 347 H ARG 46 HN ARG 46 -9.688 33.621 16.122 348 HA ARG 46 HA ARG 46 -11.916 35.364 16.456 349 HB2 ARG 46 HB2 ARG 46 -8.992 35.936 15.928 350 HB3 ARG 46 HB1 ARG 46 -10.193 37.175 16.304 351 HG2 ARG 46 HG2 ARG 46 -10.656 36.161 18.459 352 HG3 ARG 46 HG1 ARG 46 -9.617 34.786 18.081 353 HD2 ARG 46 HD2 ARG 46 -8.352 36.275 19.488 354 HD3 ARG 46 HD1 ARG 46 -7.697 36.400 17.859 355 HE ARG 46 HE ARG 46 -8.586 38.579 17.704 356 HH11 ARG 46 HH11 ARG 46 -9.463 36.951 20.632 357 HH12 ARG 46 HH12 ARG 46 -10.037 38.382 21.420 358 HH21 ARG 46 HH21 ARG 46 -9.345 40.461 18.733 359 HH22 ARG 46 HH22 ARG 46 -9.972 40.367 20.345 360 H MET 47 HN MET 47 -9.913 34.407 13.786 361 HA MET 47 HA MET 47 -10.608 36.383 11.925 362 HB2 MET 47 HB2 MET 47 -9.816 33.490 11.587 363 HB3 MET 47 HB1 MET 47 -10.026 34.579 10.232 364 HG2 MET 47 HG2 MET 47 -8.433 36.110 11.768 365 HG3 MET 47 HG1 MET 47 -7.903 34.509 12.285 366 HE1 MET 47 HE1 MET 47 -8.269 32.920 8.907 367 HE2 MET 47 HE2 MET 47 -8.105 32.694 10.646 368 HE3 MET 47 HE3 MET 47 -6.675 32.635 9.619 369 H LEU 48 HN LEU 48 -12.175 33.375 12.863 370 HA LEU 48 HA LEU 48 -14.282 33.633 10.889 371 HB2 LEU 48 HB2 LEU 48 -14.011 31.740 13.221 372 HB3 LEU 48 HB1 LEU 48 -15.162 31.605 11.890 373 HG LEU 48 HG LEU 48 -12.144 31.549 11.626 374 HD11 LEU 48 HD11 LEU 48 -12.288 29.269 11.457 375 HD12 LEU 48 HD12 LEU 48 -13.962 29.302 10.906 376 HD13 LEU 48 HD13 LEU 48 -13.585 29.571 12.608 377 HD21 LEU 48 HD21 LEU 48 -13.072 32.538 9.642 378 HD22 LEU 48 HD22 LEU 48 -14.395 31.373 9.604 379 HD23 LEU 48 HD23 LEU 48 -12.747 30.850 9.255 380 H GLY 49 HN GLY 49 -13.651 35.166 13.752 381 HA2 GLY 49 HA2 GLY 49 -15.142 36.784 14.676 382 HA3 GLY 49 HA1 GLY 49 -16.498 35.791 14.154 383 H GLN 50 HN GLN 50 -14.076 33.882 15.478 384 HA GLN 50 HA GLN 50 -15.643 33.432 17.906 385 HB2 GLN 50 HB2 GLN 50 -13.162 32.009 16.958 386 HB3 GLN 50 HB1 GLN 50 -14.287 31.475 18.204 387 HG2 GLN 50 HG2 GLN 50 -14.864 31.787 15.236 388 HG3 GLN 50 HG1 GLN 50 -14.841 30.282 16.160 389 HE21 GLN 50 HE21 GLN 50 -16.993 32.349 14.800 390 HE22 GLN 50 HE22 GLN 50 -18.288 32.195 15.888 391 H ASN 51 HN ASN 51 -14.958 33.887 19.953 392 HA ASN 51 HA ASN 51 -12.243 35.003 20.200 393 HB2 ASN 51 HB2 ASN 51 -13.990 36.782 20.228 394 HB3 ASN 51 HB1 ASN 51 -14.711 35.994 21.629 395 HD21 ASN 51 HD21 ASN 51 -12.390 38.304 20.671 396 HD22 ASN 51 HD22 ASN 51 -11.588 38.457 22.159 397 HA PRO 52 HA PRO 52 -13.119 31.730 23.404 398 HB2 PRO 52 HB2 PRO 52 -11.451 29.801 22.524 399 HB3 PRO 52 HB1 PRO 52 -13.087 29.987 21.876 400 HG2 PRO 52 HG2 PRO 52 -10.478 30.817 20.714 401 HG3 PRO 52 HG1 PRO 52 -11.901 30.124 19.920 402 HD2 PRO 52 HD2 PRO 52 -11.284 32.814 19.921 403 HD3 PRO 52 HD1 PRO 52 -12.904 32.169 19.678 404 H THR 53 HN THR 53 -11.915 31.618 25.269 405 HA THR 53 HA THR 53 -9.473 33.129 25.420 406 HB THR 53 HB THR 53 -9.488 32.466 27.801 407 HG1 THR 53 HG1 THR 53 -11.850 31.348 27.977 408 HG21 THR 53 HG21 THR 53 -11.704 33.506 28.345 409 HG22 THR 53 HG22 THR 53 -12.110 33.418 26.630 410 HG23 THR 53 HG23 THR 53 -10.754 34.413 27.168 411 HA PRO 54 HA PRO 54 -6.416 30.125 24.662 412 HB2 PRO 54 HB2 PRO 54 -5.153 31.061 27.204 413 HB3 PRO 54 HB1 PRO 54 -4.462 30.955 25.574 414 HG2 PRO 54 HG2 PRO 54 -5.146 33.280 26.559 415 HG3 PRO 54 HG1 PRO 54 -5.490 32.902 24.868 416 HD2 PRO 54 HD2 PRO 54 -7.364 32.940 27.216 417 HD3 PRO 54 HD1 PRO 54 -7.639 33.490 25.546 418 H GLU 55 HN GLU 55 -7.372 30.379 28.085 419 HA GLU 55 HA GLU 55 -6.536 27.799 28.877 420 HB2 GLU 55 HB2 GLU 55 -8.674 29.636 29.982 421 HB3 GLU 55 HB1 GLU 55 -8.180 28.131 30.759 422 HG2 GLU 55 HG2 GLU 55 -6.755 29.592 31.828 423 HG3 GLU 55 HG1 GLU 55 -5.755 29.178 30.442 424 H GLU 56 HN GLU 56 -9.588 29.021 27.573 425 HA GLU 56 HA GLU 56 -10.878 26.447 27.777 426 HB2 GLU 56 HB2 GLU 56 -11.723 29.108 27.374 427 HB3 GLU 56 HB1 GLU 56 -12.167 28.229 25.909 428 HG2 GLU 56 HG2 GLU 56 -14.001 27.969 27.435 429 HG3 GLU 56 HG1 GLU 56 -13.140 26.431 27.419 430 H LEU 57 HN LEU 57 -9.103 28.278 25.381 431 HA LEU 57 HA LEU 57 -9.768 26.824 23.070 432 HB2 LEU 57 HB2 LEU 57 -7.647 28.684 23.844 433 HB3 LEU 57 HB1 LEU 57 -7.223 27.546 22.576 434 HG LEU 57 HG LEU 57 -9.854 28.954 22.486 435 HD11 LEU 57 HD11 LEU 57 -7.160 30.024 21.756 436 HD12 LEU 57 HD12 LEU 57 -8.480 30.832 22.609 437 HD13 LEU 57 HD13 LEU 57 -8.608 30.524 20.870 438 HD21 LEU 57 HD21 LEU 57 -8.663 28.680 19.973 439 HD22 LEU 57 HD22 LEU 57 -9.944 27.660 20.649 440 HD23 LEU 57 HD23 LEU 57 -8.247 27.202 20.848 441 H GLN 58 HN GLN 58 -7.678 26.113 25.733 442 HA GLN 58 HA GLN 58 -5.969 24.237 24.543 443 HB2 GLN 58 HB2 GLN 58 -5.826 25.242 26.879 444 HB3 GLN 58 HB1 GLN 58 -7.060 24.074 27.359 445 HG2 GLN 58 HG2 GLN 58 -5.654 22.226 26.743 446 HG3 GLN 58 HG1 GLN 58 -4.470 23.298 26.012 447 HE21 GLN 58 HE21 GLN 58 -4.930 21.507 28.762 448 HE22 GLN 58 HE22 GLN 58 -4.024 22.436 29.855 449 H GLU 59 HN GLU 59 -9.265 23.900 25.818 450 HA GLU 59 HA GLU 59 -9.455 21.083 25.672 451 HB2 GLU 59 HB2 GLU 59 -11.472 23.316 25.570 452 HB3 GLU 59 HB1 GLU 59 -11.973 21.643 25.326 453 HG2 GLU 59 HG2 GLU 59 -10.346 22.539 27.713 454 HG3 GLU 59 HG1 GLU 59 -12.109 22.475 27.722 455 H MET 60 HN MET 60 -10.088 23.623 23.292 456 HA MET 60 HA MET 60 -11.154 21.949 21.276 457 HB2 MET 60 HB2 MET 60 -9.529 24.323 20.500 458 HB3 MET 60 HB1 MET 60 -11.118 23.815 19.940 459 HG2 MET 60 HG2 MET 60 -10.452 25.144 22.574 460 HG3 MET 60 HG1 MET 60 -11.409 25.815 21.259 461 HE1 MET 60 HE1 MET 60 -12.825 26.550 22.769 462 HE2 MET 60 HE2 MET 60 -12.986 25.708 24.310 463 HE3 MET 60 HE3 MET 60 -14.337 25.727 23.179 464 H ILE 61 HN ILE 61 -7.904 23.059 22.021 465 HA ILE 61 HA ILE 61 -6.539 21.976 19.808 466 HB ILE 61 HB ILE 61 -5.707 22.575 22.640 467 HG12 ILE 61 HG12 ILE 61 -6.438 24.391 20.955 468 HG13 ILE 61 HG11 ILE 61 -4.878 24.613 21.730 469 HG21 ILE 61 HG21 ILE 61 -4.069 21.065 22.093 470 HG22 ILE 61 HG22 ILE 61 -3.380 22.516 21.361 471 HG23 ILE 61 HG23 ILE 61 -4.233 21.338 20.353 472 HD11 ILE 61 HD11 ILE 61 -3.721 23.763 19.792 473 HD12 ILE 61 HD12 ILE 61 -4.853 25.001 19.252 474 HD13 ILE 61 HD13 ILE 61 -5.244 23.294 19.037 475 H ASP 62 HN ASP 62 -7.231 20.682 23.019 476 HA ASP 62 HA ASP 62 -5.845 18.257 22.805 477 HB2 ASP 62 HB2 ASP 62 -6.696 19.162 24.910 478 HB3 ASP 62 HB1 ASP 62 -8.344 18.891 24.360 479 H GLU 63 HN GLU 63 -8.973 19.264 21.597 480 HA GLU 63 HA GLU 63 -10.336 16.926 21.150 481 HB2 GLU 63 HB2 GLU 63 -10.753 19.422 20.323 482 HB3 GLU 63 HB1 GLU 63 -10.073 18.794 18.831 483 HG2 GLU 63 HG2 GLU 63 -12.243 18.200 18.436 484 HG3 GLU 63 HG1 GLU 63 -11.787 16.794 19.397 485 H VAL 64 HN VAL 64 -7.662 18.230 19.229 486 HA VAL 64 HA VAL 64 -7.487 15.632 17.843 487 HB VAL 64 HB VAL 64 -6.043 17.150 16.206 488 HG11 VAL 64 HG11 VAL 64 -8.262 17.686 15.029 489 HG12 VAL 64 HG12 VAL 64 -9.059 16.965 16.430 490 HG13 VAL 64 HG13 VAL 64 -7.983 15.987 15.419 491 HG21 VAL 64 HG21 VAL 64 -7.365 19.386 16.079 492 HG22 VAL 64 HG22 VAL 64 -6.097 19.251 17.299 493 HG23 VAL 64 HG23 VAL 64 -7.789 19.067 17.759 494 H ASP 65 HN ASP 65 -6.031 17.661 20.102 495 HA ASP 65 HA ASP 65 -3.328 16.647 19.633 496 HB2 ASP 65 HB2 ASP 65 -3.653 19.021 20.260 497 HB3 ASP 65 HB1 ASP 65 -4.347 18.498 21.792 498 H GLU 66 HN GLU 66 -4.524 14.436 20.066 499 HA GLU 66 HA GLU 66 -5.174 13.726 22.730 500 HB2 GLU 66 HB2 GLU 66 -5.885 12.423 20.751 501 HB3 GLU 66 HB1 GLU 66 -4.215 11.906 20.539 502 HG2 GLU 66 HG2 GLU 66 -4.224 10.893 22.773 503 HG3 GLU 66 HG1 GLU 66 -5.874 11.454 23.025 504 H ASP 67 HN ASP 67 -2.172 14.174 21.122 505 HA ASP 67 HA ASP 67 -0.602 12.460 22.804 506 HB2 ASP 67 HB2 ASP 67 1.317 13.565 21.766 507 HB3 ASP 67 HB1 ASP 67 0.124 13.138 20.540 508 H GLY 68 HN GLY 68 -2.149 15.391 23.374 509 HA2 GLY 68 HA2 GLY 68 -2.143 16.757 25.227 510 HA3 GLY 68 HA1 GLY 68 -0.964 15.673 25.960 511 H SER 69 HN SER 69 -0.110 16.812 22.874 512 HA SER 69 HA SER 69 2.208 18.153 23.808 513 HB2 SER 69 HB2 SER 69 0.847 18.205 21.108 514 HB3 SER 69 HB1 SER 69 2.449 18.859 21.437 515 HG SER 69 HG SER 69 2.191 16.348 22.410 516 H GLY 70 HN GLY 70 -1.036 19.172 23.125 517 HA2 GLY 70 HA2 GLY 70 -2.063 21.156 23.818 518 HA3 GLY 70 HA1 GLY 70 -0.472 21.831 24.164 519 H THR 71 HN THR 71 -0.165 20.434 21.232 520 HA THR 71 HA THR 71 -1.180 22.748 19.714 521 HB THR 71 HB THR 71 0.983 22.712 18.423 522 HG1 THR 71 HG1 THR 71 2.439 21.333 18.976 523 HG21 THR 71 HG21 THR 71 0.270 24.082 20.680 524 HG22 THR 71 HG22 THR 71 1.708 24.415 19.715 525 HG23 THR 71 HG23 THR 71 1.827 23.398 21.152 526 H VAL 72 HN VAL 72 -2.093 22.214 17.821 527 HA VAL 72 HA VAL 72 -1.980 19.407 16.985 528 HB VAL 72 HB VAL 72 -4.228 19.733 16.958 529 HG11 VAL 72 HG11 VAL 72 -3.496 22.645 16.959 530 HG12 VAL 72 HG12 VAL 72 -4.385 21.726 18.165 531 HG13 VAL 72 HG13 VAL 72 -5.156 22.153 16.639 532 HG21 VAL 72 HG21 VAL 72 -5.049 20.242 14.827 533 HG22 VAL 72 HG22 VAL 72 -3.353 19.880 14.484 534 HG23 VAL 72 HG23 VAL 72 -3.895 21.557 14.591 535 H ASP 73 HN ASP 73 -0.303 19.132 15.657 536 HA ASP 73 HA ASP 73 0.640 21.122 13.820 537 HB2 ASP 73 HB2 ASP 73 1.263 18.281 14.446 538 HB3 ASP 73 HB1 ASP 73 1.816 18.924 12.904 539 H PHE 74 HN PHE 74 1.113 19.658 11.505 540 HA PHE 74 HA PHE 74 -1.211 20.126 10.030 541 HB2 PHE 74 HB2 PHE 74 0.828 20.055 8.834 542 HB3 PHE 74 HB1 PHE 74 1.238 18.462 9.472 543 HD1 PHE 74 HD1 PHE 74 -2.199 19.256 8.448 544 HD2 PHE 74 HD2 PHE 74 1.528 17.500 7.226 545 HE1 PHE 74 HE1 PHE 74 -3.335 18.173 6.524 546 HE2 PHE 74 HE2 PHE 74 0.392 16.426 5.300 547 HZ PHE 74 HZ PHE 74 -2.039 16.763 4.949 548 H ASP 75 HN ASP 75 0.125 17.013 11.180 549 HA ASP 75 HA ASP 75 -1.956 15.412 10.150 550 HB2 ASP 75 HB2 ASP 75 -0.066 14.982 12.449 551 HB3 ASP 75 HB1 ASP 75 -1.199 13.759 11.876 552 H GLU 76 HN GLU 76 -1.538 16.972 13.312 553 HA GLU 76 HA GLU 76 -3.832 15.854 14.539 554 HB2 GLU 76 HB2 GLU 76 -2.315 18.421 15.065 555 HB3 GLU 76 HB1 GLU 76 -3.617 17.829 16.097 556 HG2 GLU 76 HG2 GLU 76 -2.373 15.721 16.449 557 HG3 GLU 76 HG1 GLU 76 -1.064 16.331 15.439 558 H PHE 77 HN PHE 77 -3.346 18.850 12.712 559 HA PHE 77 HA PHE 77 -6.013 19.803 13.085 560 HB2 PHE 77 HB2 PHE 77 -5.123 21.661 12.180 561 HB3 PHE 77 HB1 PHE 77 -3.606 20.784 11.980 562 HD1 PHE 77 HD1 PHE 77 -6.826 21.619 10.346 563 HD2 PHE 77 HD2 PHE 77 -2.888 20.011 9.831 564 HE1 PHE 77 HE1 PHE 77 -7.129 21.649 7.896 565 HE2 PHE 77 HE2 PHE 77 -3.199 20.062 7.373 566 HZ PHE 77 HZ PHE 77 -5.313 20.883 6.421 567 H LEU 78 HN LEU 78 -4.332 17.996 10.561 568 HA LEU 78 HA LEU 78 -6.372 17.945 8.638 569 HB2 LEU 78 HB2 LEU 78 -3.871 17.111 8.599 570 HB3 LEU 78 HB1 LEU 78 -4.582 15.578 9.081 571 HG LEU 78 HG LEU 78 -4.442 15.640 6.650 572 HD11 LEU 78 HD11 LEU 78 -6.604 14.882 7.919 573 HD12 LEU 78 HD12 LEU 78 -6.603 15.026 6.157 574 HD13 LEU 78 HD13 LEU 78 -7.300 16.310 7.151 575 HD21 LEU 78 HD21 LEU 78 -5.074 18.397 7.031 576 HD22 LEU 78 HD22 LEU 78 -6.345 17.677 6.036 577 HD23 LEU 78 HD23 LEU 78 -4.661 17.565 5.526 578 H VAL 79 HN VAL 79 -5.765 15.981 11.512 579 HA VAL 79 HA VAL 79 -7.763 14.032 11.104 580 HB VAL 79 HB VAL 79 -6.529 15.150 13.601 581 HG11 VAL 79 HG11 VAL 79 -8.471 12.841 13.334 582 HG12 VAL 79 HG12 VAL 79 -8.842 14.401 14.065 583 HG13 VAL 79 HG13 VAL 79 -7.653 13.340 14.815 584 HG21 VAL 79 HG21 VAL 79 -6.052 12.415 13.339 585 HG22 VAL 79 HG22 VAL 79 -4.912 13.703 12.936 586 HG23 VAL 79 HG23 VAL 79 -5.955 13.024 11.685 587 H MET 80 HN MET 80 -7.807 17.237 12.629 588 HA MET 80 HA MET 80 -10.416 17.211 13.609 589 HB2 MET 80 HB2 MET 80 -9.049 19.097 14.130 590 HB3 MET 80 HB1 MET 80 -8.811 19.472 12.425 591 HG2 MET 80 HG2 MET 80 -11.629 19.329 12.978 592 HG3 MET 80 HG1 MET 80 -10.866 20.428 14.121 593 HE1 MET 80 HE1 MET 80 -10.689 22.440 13.928 594 HE2 MET 80 HE2 MET 80 -10.590 23.513 12.534 595 HE3 MET 80 HE3 MET 80 -9.153 22.649 13.075 596 H MET 81 HN MET 81 -9.256 17.977 10.347 597 HA MET 81 HA MET 81 -11.728 18.709 9.224 598 HB2 MET 81 HB2 MET 81 -9.273 17.475 8.009 599 HB3 MET 81 HB1 MET 81 -10.642 18.020 7.059 600 HG2 MET 81 HG2 MET 81 -9.107 19.751 8.969 601 HG3 MET 81 HG1 MET 81 -8.850 19.723 7.231 602 HE1 MET 81 HE1 MET 81 -9.334 22.422 7.196 603 HE2 MET 81 HE2 MET 81 -9.368 22.157 8.938 604 HE3 MET 81 HE3 MET 81 -10.646 23.098 8.171 605 H VAL 82 HN VAL 82 -10.112 15.544 9.406 606 HA VAL 82 HA VAL 82 -12.270 14.206 8.076 607 HB VAL 82 HB VAL 82 -10.482 12.862 7.754 608 HG11 VAL 82 HG11 VAL 82 -9.473 13.762 10.452 609 HG12 VAL 82 HG12 VAL 82 -8.961 14.389 8.890 610 HG13 VAL 82 HG13 VAL 82 -8.590 12.727 9.337 611 HG21 VAL 82 HG21 VAL 82 -12.133 11.623 9.280 612 HG22 VAL 82 HG22 VAL 82 -10.984 11.936 10.585 613 HG23 VAL 82 HG23 VAL 82 -10.497 10.965 9.189 614 H ARG 83 HN ARG 83 -11.512 15.018 11.364 615 HA ARG 83 HA ARG 83 -13.105 13.129 12.685 616 HB2 ARG 83 HB2 ARG 83 -12.266 15.919 13.419 617 HB3 ARG 83 HB1 ARG 83 -13.249 14.938 14.490 618 HG2 ARG 83 HG2 ARG 83 -11.527 13.215 14.561 619 HG3 ARG 83 HG1 ARG 83 -10.545 14.107 13.406 620 HD2 ARG 83 HD2 ARG 83 -9.751 14.520 15.690 621 HD3 ARG 83 HD1 ARG 83 -10.404 15.998 14.994 622 HE ARG 83 HE ARG 83 -12.150 15.909 16.543 623 HH11 ARG 83 HH11 ARG 83 -10.315 12.977 16.490 624 HH12 ARG 83 HH12 ARG 83 -11.056 12.323 17.912 625 HH21 ARG 83 HH21 ARG 83 -13.131 15.058 18.406 626 HH22 ARG 83 HH22 ARG 83 -12.652 13.502 18.997 627 H SER 84 HN SER 84 -13.912 16.330 11.357 628 HA SER 84 HA SER 84 -16.723 15.935 12.090 629 HB2 SER 84 HB2 SER 84 -15.336 18.280 10.769 630 HB3 SER 84 HB1 SER 84 -17.029 18.237 11.255 631 HG SER 84 HG SER 84 -16.179 17.717 13.408 632 H MET 85 HN MET 85 -14.626 15.418 9.470 633 HA MET 85 HA MET 85 -16.439 15.780 7.299 634 HB2 MET 85 HB2 MET 85 -13.730 14.883 7.708 635 HB3 MET 85 HB1 MET 85 -14.561 13.910 6.502 636 HG2 MET 85 HG2 MET 85 -14.563 15.605 5.009 637 HG3 MET 85 HG1 MET 85 -15.135 16.730 6.226 638 HE1 MET 85 HE1 MET 85 -11.112 15.177 6.897 639 HE2 MET 85 HE2 MET 85 -11.208 15.184 5.138 640 HE3 MET 85 HE3 MET 85 -12.449 14.357 6.076 641 H LYS 86 HN LYS 86 -15.345 12.899 9.086 642 HA LYS 86 HA LYS 86 -17.401 11.303 7.738 643 HB2 LYS 86 HB2 LYS 86 -14.992 10.645 9.400 644 HB3 LYS 86 HB1 LYS 86 -16.280 9.455 9.207 645 HG2 LYS 86 HG2 LYS 86 -16.074 9.560 6.780 646 HG3 LYS 86 HG1 LYS 86 -14.878 10.850 6.908 647 HD2 LYS 86 HD2 LYS 86 -13.212 9.423 7.653 648 HD3 LYS 86 HD1 LYS 86 -14.359 8.284 8.360 649 HE2 LYS 86 HE2 LYS 86 -13.259 7.399 6.295 650 HE3 LYS 86 HE1 LYS 86 -15.013 7.497 6.150 651 HZ1 LYS 86 HZ1 LYS 86 -14.882 9.094 4.603 652 HZ2 LYS 86 HZ2 LYS 86 -13.303 8.510 4.368 653 HZ3 LYS 86 HZ3 LYS 86 -13.572 9.875 5.345 654 H ASP 87 HN ASP 87 -17.092 13.186 10.479 655 HA ASP 87 HA ASP 87 -18.884 11.547 12.115 656 HB2 ASP 87 HB2 ASP 87 -16.975 12.659 13.209 657 HB3 ASP 87 HB1 ASP 87 -17.594 14.226 12.690 658 H ASP 88 HN ASP 88 -20.868 11.636 11.139 659 HA ASP 88 HA ASP 88 -22.008 14.007 10.051 660 HB2 ASP 88 HB2 ASP 88 -24.145 12.655 10.142 661 HB3 ASP 88 HB1 ASP 88 -22.818 11.910 9.253 662 H SER 89 HN SER 89 -22.218 12.404 13.188 663 HA SER 89 HA SER 89 -22.741 14.750 14.627 664 HB2 SER 89 HB2 SER 89 -24.896 14.873 13.601 665 HB3 SER 89 HB1 SER 89 -25.191 13.157 13.863 666 HG SER 89 HG SER 89 -25.965 13.703 15.727 667 H LYS 90 HN LYS 90 -21.013 13.282 15.552 668 HA LYS 90 HA LYS 90 -22.218 11.718 17.719 669 HB2 LYS 90 HB2 LYS 90 -21.710 10.028 16.044 670 HB3 LYS 90 HB1 LYS 90 -20.069 10.654 15.870 671 HG2 LYS 90 HG2 LYS 90 -20.933 9.946 18.626 672 HG3 LYS 90 HG1 LYS 90 -20.660 8.605 17.514 673 HD2 LYS 90 HD2 LYS 90 -18.413 9.090 17.256 674 HD3 LYS 90 HD1 LYS 90 -18.623 10.793 17.667 675 HE2 LYS 90 HE2 LYS 90 -19.034 10.195 20.013 676 HE3 LYS 90 HE1 LYS 90 -18.886 8.482 19.616 677 HZ1 LYS 90 HZ1 LYS 90 -16.648 8.639 19.349 678 HZ2 LYS 90 HZ2 LYS 90 -16.857 9.866 20.505 679 HZ3 LYS 90 HZ3 LYS 90 -16.691 10.263 18.862 680 H GLY 136 HN GLY 136 -21.204 12.019 19.624 681 HA2 GLY 136 HA2 GLY 136 -18.428 12.929 19.695 682 HA3 GLY 136 HA1 GLY 136 -19.634 14.040 20.337 683 H LYS 137 HN LYS 137 -17.603 13.042 21.940 684 HA LYS 137 HA LYS 137 -18.237 10.721 23.402 685 HB2 LYS 137 HB2 LYS 137 -16.725 11.600 25.106 686 HB3 LYS 137 HB1 LYS 137 -16.043 11.867 23.501 687 HG2 LYS 137 HG2 LYS 137 -16.777 14.180 23.512 688 HG3 LYS 137 HG1 LYS 137 -17.640 13.938 25.031 689 HD2 LYS 137 HD2 LYS 137 -14.777 13.189 25.075 690 HD3 LYS 137 HD1 LYS 137 -15.102 14.912 24.884 691 HE2 LYS 137 HE2 LYS 137 -16.406 13.216 27.026 692 HE3 LYS 137 HE1 LYS 137 -14.912 14.117 27.289 693 HZ1 LYS 137 HZ1 LYS 137 -17.379 15.115 27.650 694 HZ2 LYS 137 HZ2 LYS 137 -17.038 15.646 26.073 695 HZ3 LYS 137 HZ3 LYS 137 -15.999 16.055 27.353 696 H PHE 138 HN PHE 138 -19.569 13.910 23.451 697 HA PHE 138 HA PHE 138 -21.812 13.213 24.971 698 HB2 PHE 138 HB2 PHE 138 -19.457 13.962 26.546 699 HB3 PHE 138 HB1 PHE 138 -20.880 14.941 26.904 700 HD1 PHE 138 HD1 PHE 138 -19.218 11.935 27.676 701 HD2 PHE 138 HD2 PHE 138 -23.154 13.545 27.065 702 HE1 PHE 138 HE1 PHE 138 -20.187 10.060 28.978 703 HE2 PHE 138 HE2 PHE 138 -24.123 11.671 28.368 704 HZ PHE 138 HZ PHE 138 -22.640 9.928 29.325 705 H LYS 139 HN LYS 139 -20.036 16.163 25.661 706 HA LYS 139 HA LYS 139 -20.578 18.361 25.248 707 HB2 LYS 139 HB2 LYS 139 -21.051 17.110 22.549 708 HB3 LYS 139 HB1 LYS 139 -21.087 18.849 22.827 709 HG2 LYS 139 HG2 LYS 139 -18.757 16.966 23.226 710 HG3 LYS 139 HG1 LYS 139 -18.870 18.321 22.105 711 HD2 LYS 139 HD2 LYS 139 -18.720 18.442 25.121 712 HD3 LYS 139 HD1 LYS 139 -17.558 19.083 23.958 713 HE2 LYS 139 HE2 LYS 139 -20.431 20.012 24.114 714 HE3 LYS 139 HE1 LYS 139 -19.108 20.818 24.957 715 HZ1 LYS 139 HZ1 LYS 139 -18.462 20.334 22.231 716 HZ2 LYS 139 HZ2 LYS 139 -18.477 21.801 23.090 717 HZ3 LYS 139 HZ3 LYS 139 -19.899 21.226 22.359 718 H ARG 140 HN ARG 140 -22.706 16.612 26.261 719 HA ARG 140 HA ARG 140 -24.999 16.545 26.507 720 HB2 ARG 140 HB2 ARG 140 -25.880 18.575 27.184 721 HB3 ARG 140 HB1 ARG 140 -24.154 18.874 27.348 722 HG2 ARG 140 HG2 ARG 140 -24.057 20.107 25.321 723 HG3 ARG 140 HG1 ARG 140 -25.640 19.526 24.802 724 HD2 ARG 140 HD2 ARG 140 -25.918 21.778 25.608 725 HD3 ARG 140 HD1 ARG 140 -26.651 20.675 26.771 726 HE ARG 140 HE ARG 140 -23.921 21.269 27.434 727 HH11 ARG 140 HH11 ARG 140 -27.189 22.391 27.529 728 HH12 ARG 140 HH12 ARG 140 -26.946 23.419 28.902 729 HH21 ARG 140 HH21 ARG 140 -23.580 22.645 29.218 730 HH22 ARG 140 HH22 ARG 140 -24.902 23.564 29.857 731 HA PRO 141 HA PRO 141 -27.342 16.641 22.792 732 HB2 PRO 141 HB2 PRO 141 -29.601 18.094 23.936 733 HB3 PRO 141 HB1 PRO 141 -29.467 16.372 23.544 734 HG2 PRO 141 HG2 PRO 141 -29.607 17.304 26.076 735 HG3 PRO 141 HG1 PRO 141 -28.767 15.808 25.631 736 HD2 PRO 141 HD2 PRO 141 -27.604 18.523 26.202 737 HD3 PRO 141 HD1 PRO 141 -26.997 16.918 26.659 738 H THR 142 HN THR 142 -28.635 18.047 21.232 739 HA THR 142 HA THR 142 -29.117 20.118 20.238 740 HB THR 142 HB THR 142 -27.058 21.542 21.866 741 HG1 THR 142 HG1 THR 142 -28.823 21.825 23.423 742 HG21 THR 142 HG21 THR 142 -29.857 22.266 20.975 743 HG22 THR 142 HG22 THR 142 -28.399 22.620 20.047 744 HG23 THR 142 HG23 THR 142 -28.640 23.361 21.630 745 H LEU 143 HN LEU 143 -28.332 19.948 18.267 746 HA LEU 143 HA LEU 143 -26.787 19.561 16.574 747 HB2 LEU 143 HB2 LEU 143 -25.434 21.913 17.893 748 HB3 LEU 143 HB1 LEU 143 -25.466 21.502 16.178 749 HG LEU 143 HG LEU 143 -27.850 22.323 17.859 750 HD11 LEU 143 HD11 LEU 143 -27.805 24.185 16.035 751 HD12 LEU 143 HD12 LEU 143 -26.125 23.696 15.817 752 HD13 LEU 143 HD13 LEU 143 -26.673 24.292 17.383 753 HD21 LEU 143 HD21 LEU 143 -27.668 21.679 14.898 754 HD22 LEU 143 HD22 LEU 143 -29.114 22.200 15.764 755 HD23 LEU 143 HD23 LEU 143 -28.393 20.630 16.117 756 H ARG 144 HN ARG 144 -26.133 17.571 18.040 757 HA ARG 144 HA ARG 144 -23.782 17.549 19.539 758 HB2 ARG 144 HB2 ARG 144 -25.354 15.526 18.049 759 HB3 ARG 144 HB1 ARG 144 -23.682 15.099 18.413 760 HG2 ARG 144 HG2 ARG 144 -24.027 15.454 20.772 761 HG3 ARG 144 HG1 ARG 144 -25.625 16.146 20.488 762 HD2 ARG 144 HD2 ARG 144 -26.532 14.055 19.827 763 HD3 ARG 144 HD1 ARG 144 -24.937 13.338 19.621 764 HE ARG 144 HE ARG 144 -25.110 14.072 22.294 765 HH11 ARG 144 HH11 ARG 144 -26.808 12.043 20.061 766 HH12 ARG 144 HH12 ARG 144 -27.289 10.891 21.261 767 HH21 ARG 144 HH21 ARG 144 -25.719 12.552 23.868 768 HH22 ARG 144 HH22 ARG 144 -26.672 11.178 23.416 769 H ARG 145 HN ARG 145 -22.508 19.130 18.312 770 HA ARG 145 HA ARG 145 -20.426 17.898 16.849 771 HB2 ARG 145 HB2 ARG 145 -21.868 17.754 14.976 772 HB3 ARG 145 HB1 ARG 145 -22.529 19.365 15.259 773 HG2 ARG 145 HG2 ARG 145 -20.163 20.252 14.879 774 HG3 ARG 145 HG1 ARG 145 -19.758 18.640 14.286 775 HD2 ARG 145 HD2 ARG 145 -21.987 20.377 13.193 776 HD3 ARG 145 HD1 ARG 145 -20.404 20.188 12.448 777 HE ARG 145 HE ARG 145 -22.559 18.228 12.472 778 HH11 ARG 145 HH11 ARG 145 -19.207 18.929 11.983 779 HH12 ARG 145 HH12 ARG 145 -18.927 17.557 10.965 780 HH21 ARG 145 HH21 ARG 145 -22.205 16.436 11.125 781 HH22 ARG 145 HH22 ARG 145 -20.625 16.145 10.478 782 H VAL 146 HN VAL 146 -22.237 20.955 17.083 783 HA VAL 146 HA VAL 146 -21.270 23.128 16.921 784 HB VAL 146 HB VAL 146 -20.192 23.305 19.405 785 HG11 VAL 146 HG11 VAL 146 -22.175 24.340 19.889 786 HG12 VAL 146 HG12 VAL 146 -23.141 22.973 19.334 787 HG13 VAL 146 HG13 VAL 146 -22.467 24.109 18.165 788 HG21 VAL 146 HG21 VAL 146 -22.029 20.894 19.372 789 HG22 VAL 146 HG22 VAL 146 -21.465 21.712 20.830 790 HG23 VAL 146 HG23 VAL 146 -20.314 20.887 19.779 791 H ARG 147 HN ARG 147 -19.551 21.822 15.398 792 HA ARG 147 HA ARG 147 -16.866 22.220 16.547 793 HB2 ARG 147 HB2 ARG 147 -18.012 20.430 14.492 794 HB3 ARG 147 HB1 ARG 147 -16.411 21.077 14.133 795 HG2 ARG 147 HG2 ARG 147 -15.530 19.550 15.531 796 HG3 ARG 147 HG1 ARG 147 -16.371 20.340 16.863 797 HD2 ARG 147 HD2 ARG 147 -17.683 18.547 17.091 798 HD3 ARG 147 HD1 ARG 147 -18.292 18.792 15.457 799 HE ARG 147 HE ARG 147 -16.857 17.102 14.713 800 HH11 ARG 147 HH11 ARG 147 -16.154 18.052 17.966 801 HH12 ARG 147 HH12 ARG 147 -15.067 16.736 18.261 802 HH21 ARG 147 HH21 ARG 147 -15.426 15.380 15.091 803 HH22 ARG 147 HH22 ARG 147 -14.654 15.224 16.634 804 H ILE 148 HN ILE 148 -15.390 23.598 15.621 805 HA ILE 148 HA ILE 148 -16.081 25.985 14.543 806 HB ILE 148 HB ILE 148 -13.774 25.282 15.202 807 HG12 ILE 148 HG12 ILE 148 -13.895 26.509 12.437 808 HG13 ILE 148 HG11 ILE 148 -14.334 27.386 13.904 809 HG21 ILE 148 HG21 ILE 148 -12.474 23.908 13.903 810 HG22 ILE 148 HG22 ILE 148 -13.285 24.379 12.410 811 HG23 ILE 148 HG23 ILE 148 -14.055 23.233 13.508 812 HD11 ILE 148 HD11 ILE 148 -12.171 27.802 14.337 813 HD12 ILE 148 HD12 ILE 148 -11.737 27.007 12.825 814 HD13 ILE 148 HD13 ILE 148 -11.814 26.076 14.320 815 H SER 149 HN SER 149 -17.426 26.363 12.851 816 HA SER 149 HA SER 149 -18.193 24.720 10.819 817 HB2 SER 149 HB2 SER 149 -17.654 27.693 10.596 818 HB3 SER 149 HB1 SER 149 -18.629 26.754 9.469 819 HG SER 149 HG SER 149 -19.188 27.640 12.029 820 H ALA 150 HN ALA 150 -16.613 23.391 9.971 821 HA ALA 150 HA ALA 150 -14.049 24.176 9.145 822 HB1 ALA 150 HB1 ALA 150 -15.084 22.034 7.506 823 HB2 ALA 150 HB2 ALA 150 -15.541 21.802 9.193 824 HB3 ALA 150 HB3 ALA 150 -13.842 21.982 8.757 825 H ASP 151 HN ASP 151 -17.111 24.074 7.382 826 HA ASP 151 HA ASP 151 -16.259 24.450 4.781 827 HB2 ASP 151 HB2 ASP 151 -18.601 25.877 6.063 828 HB3 ASP 151 HB1 ASP 151 -18.409 25.461 4.360 829 H ALA 152 HN ALA 152 -17.605 27.163 6.569 830 HA ALA 152 HA ALA 152 -16.283 29.129 5.062 831 HB1 ALA 152 HB1 ALA 152 -17.590 30.542 6.198 832 HB2 ALA 152 HB2 ALA 152 -17.069 29.920 7.765 833 HB3 ALA 152 HB3 ALA 152 -18.334 29.085 6.857 834 H MET 153 HN MET 153 -15.455 27.541 8.099 835 HA MET 153 HA MET 153 -13.480 29.171 9.108 836 HB2 MET 153 HB2 MET 153 -14.050 27.216 10.325 837 HB3 MET 153 HB1 MET 153 -13.695 26.167 8.954 838 HG2 MET 153 HG2 MET 153 -11.290 26.930 9.119 839 HG3 MET 153 HG1 MET 153 -11.720 27.721 10.636 840 HE1 MET 153 HE1 MET 153 -9.581 24.841 11.580 841 HE2 MET 153 HE2 MET 153 -9.594 26.083 10.329 842 HE3 MET 153 HE3 MET 153 -9.816 24.396 9.884 843 H MET 154 HN MET 154 -13.026 26.550 6.735 844 HA MET 154 HA MET 154 -10.302 27.172 6.220 845 HB2 MET 154 HB2 MET 154 -12.363 25.603 4.690 846 HB3 MET 154 HB1 MET 154 -10.713 25.822 4.110 847 HG2 MET 154 HG2 MET 154 -10.335 25.074 6.742 848 HG3 MET 154 HG1 MET 154 -11.716 24.090 6.252 849 HE1 MET 154 HE1 MET 154 -8.793 25.767 5.004 850 HE2 MET 154 HE2 MET 154 -8.748 25.068 3.386 851 HE3 MET 154 HE3 MET 154 -7.593 24.529 4.602 852 H GLN 155 HN GLN 155 -13.357 28.250 4.856 853 HA GLN 155 HA GLN 155 -12.373 29.449 2.517 854 HB2 GLN 155 HB2 GLN 155 -14.690 30.254 4.296 855 HB3 GLN 155 HB1 GLN 155 -14.376 30.941 2.704 856 HG2 GLN 155 HG2 GLN 155 -14.442 28.624 1.768 857 HG3 GLN 155 HG1 GLN 155 -14.963 28.063 3.357 858 HE21 GLN 155 HE21 GLN 155 -17.083 27.412 2.622 859 HE22 GLN 155 HE22 GLN 155 -18.254 28.552 2.162 860 H ALA 156 HN ALA 156 -12.701 30.708 5.821 861 HA ALA 156 HA ALA 156 -11.816 33.337 5.276 862 HB1 ALA 156 HB1 ALA 156 -12.460 33.520 7.413 863 HB2 ALA 156 HB2 ALA 156 -10.999 32.656 7.890 864 HB3 ALA 156 HB3 ALA 156 -12.492 31.765 7.590 865 H LEU 157 HN LEU 157 -10.077 30.418 6.309 866 HA LEU 157 HA LEU 157 -7.540 31.626 6.610 867 HB2 LEU 157 HB2 LEU 157 -7.609 28.836 5.644 868 HB3 LEU 157 HB1 LEU 157 -6.766 29.529 7.025 869 HG LEU 157 HG LEU 157 -9.702 28.851 6.839 870 HD11 LEU 157 HD11 LEU 157 -7.337 27.729 8.302 871 HD12 LEU 157 HD12 LEU 157 -8.555 26.884 7.340 872 HD13 LEU 157 HD13 LEU 157 -8.973 27.513 8.932 873 HD21 LEU 157 HD21 LEU 157 -10.107 29.971 8.812 874 HD22 LEU 157 HD22 LEU 157 -8.851 31.017 8.154 875 HD23 LEU 157 HD23 LEU 157 -8.442 29.810 9.377 876 H LEU 158 HN LEU 158 -9.118 30.083 3.855 877 HA LEU 158 HA LEU 158 -6.812 30.572 2.154 878 HB2 LEU 158 HB2 LEU 158 -9.519 29.388 1.517 879 HB3 LEU 158 HB1 LEU 158 -8.142 29.444 0.425 880 HG LEU 158 HG LEU 158 -8.157 28.069 3.111 881 HD11 LEU 158 HD11 LEU 158 -9.024 27.227 0.465 882 HD12 LEU 158 HD12 LEU 158 -9.172 26.379 2.005 883 HD13 LEU 158 HD13 LEU 158 -7.698 26.221 1.049 884 HD21 LEU 158 HD21 LEU 158 -5.912 28.404 2.846 885 HD22 LEU 158 HD22 LEU 158 -6.072 28.743 1.122 886 HD23 LEU 158 HD23 LEU 158 -6.044 27.075 1.694 887 H GLY 159 HN GLY 159 -9.410 32.368 3.243 888 HA2 GLY 159 HA2 GLY 159 -10.289 34.389 2.586 889 HA3 GLY 159 HA1 GLY 159 -8.892 34.544 1.525 890 H ALA 160 HN ALA 160 -11.317 31.971 1.393 891 HA ALA 160 HA ALA 160 -12.951 31.491 -0.176 892 HB1 ALA 160 HB1 ALA 160 -13.302 34.061 -0.076 893 HB2 ALA 160 HB2 ALA 160 -13.894 33.188 -1.489 894 HB3 ALA 160 HB3 ALA 160 -12.381 34.089 -1.579 895 H ARG 161 HN ARG 161 -11.228 29.926 -0.764 896 HA ARG 161 HA ARG 161 -9.870 30.599 -3.296 897 HB2 ARG 161 HB2 ARG 161 -8.513 29.752 -1.363 898 HB3 ARG 161 HB1 ARG 161 -9.394 28.230 -1.474 899 HG2 ARG 161 HG2 ARG 161 -8.593 27.877 -3.742 900 HG3 ARG 161 HG1 ARG 161 -7.819 29.462 -3.751 901 HD2 ARG 161 HD2 ARG 161 -6.368 28.751 -1.876 902 HD3 ARG 161 HD1 ARG 161 -7.127 27.163 -1.903 903 HE ARG 161 HE ARG 161 -6.184 27.637 -4.481 904 HH11 ARG 161 HH11 ARG 161 -4.949 27.358 -1.259 905 HH12 ARG 161 HH12 ARG 161 -3.412 26.735 -1.755 906 HH21 ARG 161 HH21 ARG 161 -4.171 26.824 -5.138 907 HH22 ARG 161 HH22 ARG 161 -2.971 26.432 -3.952 908 H ALA 162 HN ALA 162 -11.625 30.323 -4.695 909 HA ALA 162 HA ALA 162 -11.997 28.145 -6.150 910 HB1 ALA 162 HB1 ALA 162 -13.327 27.700 -3.519 911 HB2 ALA 162 HB2 ALA 162 -12.543 26.543 -4.593 912 HB3 ALA 162 HB3 ALA 162 -14.161 27.137 -4.967 913 H LYS 163 HN LYS 163 -12.389 30.648 -6.776 914 HA LYS 163 HA LYS 163 -13.825 32.111 -7.819 915 HB2 LYS 163 HB2 LYS 163 -15.045 29.476 -8.083 916 HB3 LYS 163 HB1 LYS 163 -16.242 30.769 -8.089 917 HG2 LYS 163 HG2 LYS 163 -14.820 31.958 -9.808 918 HG3 LYS 163 HG1 LYS 163 -13.829 30.501 -9.898 919 HD2 LYS 163 HD2 LYS 163 -15.588 29.209 -10.784 920 HD3 LYS 163 HD1 LYS 163 -16.819 30.351 -10.245 921 HE2 LYS 163 HE2 LYS 163 -16.525 30.584 -12.653 922 HE3 LYS 163 HE1 LYS 163 -15.906 32.030 -11.855 923 HZ1 LYS 163 HZ1 LYS 163 -14.538 30.503 -13.625 924 HZ2 LYS 163 HZ2 LYS 163 -13.942 29.955 -12.132 925 HZ3 LYS 163 HZ3 LYS 163 -13.844 31.602 -12.536 926 H GLY 164 HN GLY 164 -16.670 32.301 -7.553 927 HA2 GLY 164 HA2 GLY 164 -18.315 33.100 -6.148 928 HA3 GLY 164 HA1 GLY 164 -17.414 32.428 -4.793 929 H HIS 165 HN HIS 165 -17.737 34.254 -3.504 930 HA HIS 165 HA HIS 165 -17.494 36.903 -4.034 931 HB2 HIS 165 HB2 HIS 165 -17.675 35.487 -1.750 932 HB3 HIS 165 HB1 HIS 165 -15.993 36.005 -1.635 933 HD2 HIS 165 HD2 HIS 165 -18.503 38.474 -3.325 934 HE1 HIS 165 HE1 HIS 165 -17.635 39.978 0.523 935 HE2 HIS 165 HE2 HIS 165 -18.786 40.484 -1.683 936 H HIS 166 HN HIS 166 -15.759 38.447 -3.914 937 HA HIS 166 HA HIS 166 -13.511 37.762 -5.461 938 HB2 HIS 166 HB2 HIS 166 -14.119 40.143 -3.707 939 HB3 HIS 166 HB1 HIS 166 -12.624 40.012 -4.635 940 HD2 HIS 166 HD2 HIS 166 -12.911 40.433 -7.405 941 HE1 HIS 166 HE1 HIS 166 -17.096 40.989 -7.400 942 HE2 HIS 166 HE2 HIS 166 -14.996 41.115 -8.821 943 H HIS 167 HN HIS 167 -13.988 38.014 -1.976 944 HA HIS 167 HA HIS 167 -12.107 36.128 -1.249 945 HB2 HIS 167 HB2 HIS 167 -10.895 38.680 -1.978 946 HB3 HIS 167 HB1 HIS 167 -10.496 38.190 -0.332 947 HD2 HIS 167 HD2 HIS 167 -10.983 35.241 -2.810 948 HE1 HIS 167 HE1 HIS 167 -6.825 35.769 -2.298 949 HE2 HIS 167 HE2 HIS 167 -8.612 34.245 -3.264 950 H HIS 168 HN HIS 168 -11.728 39.209 0.299 951 HA HIS 168 HA HIS 168 -13.912 38.841 2.153 952 HB2 HIS 168 HB2 HIS 168 -12.462 38.644 4.149 953 HB3 HIS 168 HB1 HIS 168 -12.307 37.249 3.080 954 HD2 HIS 168 HD2 HIS 168 -9.739 36.844 2.066 955 HE1 HIS 168 HE1 HIS 168 -8.014 40.410 3.524 956 HE2 HIS 168 HE2 HIS 168 -7.531 38.204 2.362 957 H HIS 169 HN HIS 169 -13.955 40.582 3.796 958 HA HIS 169 HA HIS 169 -12.399 42.957 2.993 959 HB2 HIS 169 HB2 HIS 169 -14.655 43.073 1.968 960 HB3 HIS 169 HB1 HIS 169 -15.370 42.941 3.575 961 HD2 HIS 169 HD2 HIS 169 -13.512 45.604 1.381 962 HE1 HIS 169 HE1 HIS 169 -14.590 47.449 5.022 963 HE2 HIS 169 HE2 HIS 169 -13.642 47.853 2.701 964 H HIS 170 HN HIS 170 -11.497 43.982 4.663 965 HA HIS 170 HA HIS 170 -11.784 42.997 7.323 966 HB2 HIS 170 HB2 HIS 170 -10.480 45.549 6.347 967 HB3 HIS 170 HB1 HIS 170 -10.250 44.808 7.931 968 HD2 HIS 170 HD2 HIS 170 -8.692 44.621 4.450 969 HE1 HIS 170 HE1 HIS 170 -7.490 41.098 6.441 970 HE2 HIS 170 HE2 HIS 170 -7.100 42.552 4.396 971 H17 V8Y 201 H17 A7 201 -14.187 25.009 20.049 972 H21 V8Y 201 H21 A7 201 -14.882 23.455 18.831 973 H3 V8Y 201 H3 A7 201 -15.080 21.012 18.461 974 H4 V8Y 201 H4 A7 201 -13.193 19.745 17.466 975 H6 V8Y 201 H6 A7 201 -8.768 20.902 15.890 976 H7 V8Y 201 H7 A7 201 -8.592 23.354 16.266 977 H8 V8Y 201 H8 A7 201 -10.483 24.609 17.263 978 H11 V8Y 201 H11 A7 201 -15.702 25.059 18.199 979 H8L V8Y 201 H8L A7 201 -15.324 26.776 18.012 980 H12 V8Y 201 H12 A7 201 -16.182 25.751 20.718 981 H8M V8Y 201 H8M A7 201 -17.409 25.992 19.450 982 H13 V8Y 201 H13 A7 201 -15.698 28.289 19.463 983 H8O V8Y 201 H8O A7 201 -16.179 27.921 21.156 984 H14 V8Y 201 H14 A7 201 -18.551 27.672 19.764 985 H8N V8Y 201 H8N A7 201 -17.719 29.054 18.961 986 H15 V8Y 201 H15 A7 201 -18.720 30.269 20.578 987 H8P V8Y 201 H8P A7 201 -17.333 29.698 21.547 988 H16 V8Y 201 H16 A7 201 -18.613 28.134 22.705 989 H8Q V8Y 201 H8Q A7 201 -19.820 28.013 21.405 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -3.835 8.133 19.217 2 H2 MET 1 HT2 MET 1 -2.459 8.851 18.523 3 H3 MET 1 HT3 MET 1 -3.136 7.457 17.827 4 HA MET 1 HA MET 1 -4.701 9.946 18.082 5 HB2 MET 1 HB2 MET 1 -2.481 9.301 16.218 6 HB3 MET 1 HB1 MET 1 -3.939 9.971 15.486 7 HG2 MET 1 HG2 MET 1 -3.864 11.867 17.065 8 HG3 MET 1 HG1 MET 1 -2.407 11.199 17.799 9 HE1 MET 1 HE1 MET 1 -3.480 11.660 13.815 10 HE2 MET 1 HE2 MET 1 -3.044 13.364 13.894 11 HE3 MET 1 HE3 MET 1 -4.210 12.706 15.041 12 H ASP 2 HN ASP 2 -6.442 9.934 16.483 13 HA ASP 2 HA ASP 2 -7.755 7.417 16.343 14 HB2 ASP 2 HB2 ASP 2 -8.310 10.189 15.438 15 HB3 ASP 2 HB1 ASP 2 -9.146 8.904 14.578 16 H ASP 3 HN ASP 3 -7.000 5.818 15.099 17 HA ASP 3 HA ASP 3 -5.423 6.128 12.787 18 HB2 ASP 3 HB2 ASP 3 -7.159 3.847 13.643 19 HB3 ASP 3 HB1 ASP 3 -5.977 3.754 12.362 20 H ILE 4 HN ILE 4 -8.916 5.706 13.222 21 HA ILE 4 HA ILE 4 -9.656 5.355 10.560 22 HB ILE 4 HB ILE 4 -11.209 5.151 12.453 23 HG12 ILE 4 HG12 ILE 4 -11.806 5.862 9.956 24 HG13 ILE 4 HG11 ILE 4 -13.056 5.759 11.202 25 HG21 ILE 4 HG21 ILE 4 -10.352 7.111 13.716 26 HG22 ILE 4 HG22 ILE 4 -12.104 7.154 13.531 27 HG23 ILE 4 HG23 ILE 4 -11.087 8.176 12.522 28 HD11 ILE 4 HD11 ILE 4 -12.868 8.168 11.613 29 HD12 ILE 4 HD12 ILE 4 -13.209 7.870 9.909 30 HD13 ILE 4 HD13 ILE 4 -11.576 8.286 10.421 31 H TYR 5 HN TYR 5 -9.265 8.368 12.402 32 HA TYR 5 HA TYR 5 -9.759 10.059 10.148 33 HB2 TYR 5 HB2 TYR 5 -8.382 10.642 12.750 34 HB3 TYR 5 HB1 TYR 5 -8.897 11.852 11.590 35 HD1 TYR 5 HD1 TYR 5 -9.876 11.714 14.468 36 HD2 TYR 5 HD2 TYR 5 -11.419 10.004 10.846 37 HE1 TYR 5 HE1 TYR 5 -12.136 11.677 15.449 38 HE2 TYR 5 HE2 TYR 5 -13.695 9.980 11.835 39 HH TYR 5 HH TYR 5 -14.706 11.692 14.167 40 H LYS 6 HN LYS 6 -6.984 8.470 11.511 41 HA LYS 6 HA LYS 6 -4.921 9.948 10.295 42 HB2 LYS 6 HB2 LYS 6 -5.205 7.084 11.222 43 HB3 LYS 6 HB1 LYS 6 -3.744 7.609 10.362 44 HG2 LYS 6 HG2 LYS 6 -4.733 9.327 12.600 45 HG3 LYS 6 HG1 LYS 6 -3.937 7.809 13.016 46 HD2 LYS 6 HD2 LYS 6 -2.267 9.557 12.916 47 HD3 LYS 6 HD1 LYS 6 -2.015 8.475 11.555 48 HE2 LYS 6 HE2 LYS 6 -3.029 10.019 10.029 49 HE3 LYS 6 HE1 LYS 6 -3.656 11.014 11.342 50 HZ1 LYS 6 HZ1 LYS 6 -1.812 12.204 10.912 51 HZ2 LYS 6 HZ2 LYS 6 -0.979 10.898 10.215 52 HZ3 LYS 6 HZ3 LYS 6 -1.062 11.051 11.904 53 H ALA 7 HN ALA 7 -6.836 7.192 9.169 54 HA ALA 7 HA ALA 7 -5.590 6.943 6.627 55 HB1 ALA 7 HB1 ALA 7 -6.812 5.071 6.978 56 HB2 ALA 7 HB2 ALA 7 -8.088 6.000 6.192 57 HB3 ALA 7 HB3 ALA 7 -8.019 5.906 7.962 58 H ALA 8 HN ALA 8 -8.186 8.900 7.927 59 HA ALA 8 HA ALA 8 -9.317 9.885 5.547 60 HB1 ALA 8 HB1 ALA 8 -10.572 10.739 7.226 61 HB2 ALA 8 HB2 ALA 8 -9.387 12.045 7.264 62 HB3 ALA 8 HB3 ALA 8 -9.237 10.682 8.386 63 H VAL 9 HN VAL 9 -6.504 10.969 7.418 64 HA VAL 9 HA VAL 9 -5.916 13.274 5.890 65 HB VAL 9 HB VAL 9 -4.132 11.442 7.514 66 HG11 VAL 9 HG11 VAL 9 -2.783 13.763 7.446 67 HG12 VAL 9 HG12 VAL 9 -3.552 13.853 5.861 68 HG13 VAL 9 HG13 VAL 9 -2.508 12.482 6.261 69 HG21 VAL 9 HG21 VAL 9 -5.428 14.121 8.061 70 HG22 VAL 9 HG22 VAL 9 -4.235 13.370 9.116 71 HG23 VAL 9 HG23 VAL 9 -5.797 12.589 8.855 72 H GLU 10 HN GLU 10 -4.803 9.913 5.668 73 HA GLU 10 HA GLU 10 -3.141 10.335 3.377 74 HB2 GLU 10 HB2 GLU 10 -4.331 7.850 4.628 75 HB3 GLU 10 HB1 GLU 10 -3.259 7.814 3.219 76 HG2 GLU 10 HG2 GLU 10 -1.484 8.868 4.465 77 HG3 GLU 10 HG1 GLU 10 -2.551 9.138 5.836 78 H GLN 11 HN GLN 11 -6.518 9.842 3.851 79 HA GLN 11 HA GLN 11 -7.139 8.828 1.254 80 HB2 GLN 11 HB2 GLN 11 -8.640 9.818 3.599 81 HB3 GLN 11 HB1 GLN 11 -9.461 9.932 2.059 82 HG2 GLN 11 HG2 GLN 11 -8.415 7.422 1.886 83 HG3 GLN 11 HG1 GLN 11 -8.705 7.541 3.621 84 HE21 GLN 11 HE21 GLN 11 -11.054 9.148 3.632 85 HE22 GLN 11 HE22 GLN 11 -12.308 8.280 2.889 86 H LEU 12 HN LEU 12 -6.857 12.035 2.680 87 HA LEU 12 HA LEU 12 -8.117 13.487 0.618 88 HB2 LEU 12 HB2 LEU 12 -5.840 14.374 2.408 89 HB3 LEU 12 HB1 LEU 12 -6.916 15.433 1.495 90 HG LEU 12 HG LEU 12 -7.562 13.687 3.866 91 HD11 LEU 12 HD11 LEU 12 -6.823 16.109 4.078 92 HD12 LEU 12 HD12 LEU 12 -8.367 15.708 4.831 93 HD13 LEU 12 HD13 LEU 12 -8.332 16.545 3.279 94 HD21 LEU 12 HD21 LEU 12 -9.322 13.119 2.363 95 HD22 LEU 12 HD22 LEU 12 -9.422 14.764 1.733 96 HD23 LEU 12 HD23 LEU 12 -9.986 14.407 3.368 97 H THR 13 HN THR 13 -7.508 13.984 -1.387 98 HA THR 13 HA THR 13 -5.142 12.871 -2.535 99 HB THR 13 HB THR 13 -7.090 13.116 -3.927 100 HG1 THR 13 HG1 THR 13 -5.732 13.543 -5.450 101 HG21 THR 13 HG21 THR 13 -7.665 15.639 -4.486 102 HG22 THR 13 HG22 THR 13 -6.982 15.902 -2.887 103 HG23 THR 13 HG23 THR 13 -8.373 14.842 -3.079 104 H GLU 14 HN GLU 14 -3.874 14.501 -4.075 105 HA GLU 14 HA GLU 14 -2.204 16.001 -2.390 106 HB2 GLU 14 HB2 GLU 14 -2.599 16.048 -5.375 107 HB3 GLU 14 HB1 GLU 14 -1.336 16.958 -4.548 108 HG2 GLU 14 HG2 GLU 14 -1.711 13.955 -4.370 109 HG3 GLU 14 HG1 GLU 14 -0.512 14.766 -5.379 110 H GLU 15 HN GLU 15 -4.800 17.051 -4.594 111 HA GLU 15 HA GLU 15 -4.452 19.829 -4.090 112 HB2 GLU 15 HB2 GLU 15 -5.631 18.871 -6.072 113 HB3 GLU 15 HB1 GLU 15 -6.955 18.405 -4.995 114 HG2 GLU 15 HG2 GLU 15 -7.378 20.699 -4.401 115 HG3 GLU 15 HG1 GLU 15 -5.937 21.242 -5.258 116 H GLN 16 HN GLN 16 -6.819 17.473 -2.872 117 HA GLN 16 HA GLN 16 -8.265 19.181 -1.218 118 HB2 GLN 16 HB2 GLN 16 -8.287 16.455 -1.773 119 HB3 GLN 16 HB1 GLN 16 -7.947 16.536 -0.051 120 HG2 GLN 16 HG2 GLN 16 -10.030 17.269 0.432 121 HG3 GLN 16 HG1 GLN 16 -10.035 18.409 -0.910 122 HE21 GLN 16 HE21 GLN 16 -12.369 16.911 -0.414 123 HE22 GLN 16 HE22 GLN 16 -12.570 15.762 -1.648 124 H LYS 17 HN LYS 17 -5.515 17.078 -0.395 125 HA LYS 17 HA LYS 17 -5.295 17.884 2.299 126 HB2 LYS 17 HB2 LYS 17 -4.161 15.916 0.940 127 HB3 LYS 17 HB1 LYS 17 -2.868 17.099 0.741 128 HG2 LYS 17 HG2 LYS 17 -2.868 17.442 3.225 129 HG3 LYS 17 HG1 LYS 17 -4.041 16.127 3.368 130 HD2 LYS 17 HD2 LYS 17 -1.266 15.894 2.146 131 HD3 LYS 17 HD1 LYS 17 -1.738 15.311 3.744 132 HE2 LYS 17 HE2 LYS 17 -3.421 13.823 2.684 133 HE3 LYS 17 HE1 LYS 17 -2.886 14.374 1.096 134 HZ1 LYS 17 HZ1 LYS 17 -0.990 13.194 1.217 135 HZ2 LYS 17 HZ2 LYS 17 -1.885 12.240 2.302 136 HZ3 LYS 17 HZ3 LYS 17 -0.810 13.417 2.889 137 H ASN 18 HN ASN 18 -3.984 19.189 -0.704 138 HA ASN 18 HA ASN 18 -2.091 20.968 0.375 139 HB2 ASN 18 HB2 ASN 18 -2.660 20.329 -2.120 140 HB3 ASN 18 HB1 ASN 18 -3.741 21.709 -2.020 141 HD21 ASN 18 HD21 ASN 18 -1.315 21.579 -3.675 142 HD22 ASN 18 HD22 ASN 18 -0.276 22.797 -3.110 143 H GLU 19 HN GLU 19 -5.564 21.376 -0.305 144 HA GLU 19 HA GLU 19 -5.765 24.093 0.384 145 HB2 GLU 19 HB2 GLU 19 -7.631 21.820 0.120 146 HB3 GLU 19 HB1 GLU 19 -8.194 23.159 1.103 147 HG2 GLU 19 HG2 GLU 19 -7.830 24.707 -0.713 148 HG3 GLU 19 HG1 GLU 19 -7.066 23.458 -1.692 149 H PHE 20 HN PHE 20 -6.340 21.183 2.353 150 HA PHE 20 HA PHE 20 -6.853 22.557 4.766 151 HB2 PHE 20 HB2 PHE 20 -5.772 19.760 4.312 152 HB3 PHE 20 HB1 PHE 20 -6.363 20.370 5.849 153 HD1 PHE 20 HD1 PHE 20 -7.316 18.382 3.234 154 HD2 PHE 20 HD2 PHE 20 -8.740 21.772 5.456 155 HE1 PHE 20 HE1 PHE 20 -9.646 17.829 2.584 156 HE2 PHE 20 HE2 PHE 20 -11.069 21.219 4.805 157 HZ PHE 20 HZ PHE 20 -11.522 19.247 3.372 158 H LYS 21 HN LYS 21 -3.897 21.433 3.236 159 HA LYS 21 HA LYS 21 -2.125 21.766 5.384 160 HB2 LYS 21 HB2 LYS 21 -1.550 20.669 3.230 161 HB3 LYS 21 HB1 LYS 21 -1.573 22.250 2.446 162 HG2 LYS 21 HG2 LYS 21 0.727 21.651 3.047 163 HG3 LYS 21 HG1 LYS 21 0.193 23.030 4.012 164 HD2 LYS 21 HD2 LYS 21 -0.289 21.587 5.907 165 HD3 LYS 21 HD1 LYS 21 0.058 20.150 4.940 166 HE2 LYS 21 HE2 LYS 21 2.083 22.332 5.512 167 HE3 LYS 21 HE1 LYS 21 1.956 20.839 6.442 168 HZ1 LYS 21 HZ1 LYS 21 3.187 19.848 4.915 169 HZ2 LYS 21 HZ2 LYS 21 3.246 21.266 3.981 170 HZ3 LYS 21 HZ3 LYS 21 1.992 20.145 3.748 171 H ALA 22 HN ALA 22 -3.325 24.059 2.961 172 HA ALA 22 HA ALA 22 -1.731 26.268 3.686 173 HB1 ALA 22 HB1 ALA 22 -4.514 26.105 2.506 174 HB2 ALA 22 HB2 ALA 22 -2.992 26.332 1.637 175 HB3 ALA 22 HB3 ALA 22 -3.611 27.613 2.679 176 H ALA 23 HN ALA 23 -4.883 25.124 4.852 177 HA ALA 23 HA ALA 23 -5.412 27.270 6.622 178 HB1 ALA 23 HB1 ALA 23 -7.268 26.095 7.107 179 HB2 ALA 23 HB2 ALA 23 -6.342 24.680 7.598 180 HB3 ALA 23 HB3 ALA 23 -6.723 24.937 5.903 181 H PHE 24 HN PHE 24 -3.618 24.253 7.002 182 HA PHE 24 HA PHE 24 -3.192 24.294 9.753 183 HB2 PHE 24 HB2 PHE 24 -2.467 22.340 8.739 184 HB3 PHE 24 HB1 PHE 24 -1.657 23.198 7.433 185 HD1 PHE 24 HD1 PHE 24 -1.458 22.599 11.148 186 HD2 PHE 24 HD2 PHE 24 0.625 23.667 7.540 187 HE1 PHE 24 HE1 PHE 24 0.700 22.537 12.370 188 HE2 PHE 24 HE2 PHE 24 2.778 23.600 8.763 189 HZ PHE 24 HZ PHE 24 2.817 23.037 11.176 190 H ASP 25 HN ASP 25 -1.208 25.708 7.150 191 HA ASP 25 HA ASP 25 0.744 26.871 8.821 192 HB2 ASP 25 HB2 ASP 25 1.045 26.548 6.394 193 HB3 ASP 25 HB1 ASP 25 -0.182 27.774 6.091 194 H ILE 26 HN ILE 26 -2.309 28.109 7.524 195 HA ILE 26 HA ILE 26 -2.064 30.771 8.403 196 HB ILE 26 HB ILE 26 -4.313 28.976 7.636 197 HG12 ILE 26 HG12 ILE 26 -4.588 31.505 6.509 198 HG13 ILE 26 HG11 ILE 26 -2.844 31.290 6.625 199 HG21 ILE 26 HG21 ILE 26 -5.167 30.080 9.670 200 HG22 ILE 26 HG22 ILE 26 -5.972 30.700 8.229 201 HG23 ILE 26 HG23 ILE 26 -4.706 31.652 9.012 202 HD11 ILE 26 HD11 ILE 26 -4.304 28.909 5.673 203 HD12 ILE 26 HD12 ILE 26 -2.817 29.635 5.064 204 HD13 ILE 26 HD13 ILE 26 -4.378 30.294 4.587 205 H PHE 27 HN PHE 27 -3.356 27.882 10.019 206 HA PHE 27 HA PHE 27 -4.286 29.167 12.343 207 HB2 PHE 27 HB2 PHE 27 -3.597 26.392 11.584 208 HB3 PHE 27 HB1 PHE 27 -3.578 26.760 13.303 209 HD1 PHE 27 HD1 PHE 27 -5.676 26.857 10.274 210 HD2 PHE 27 HD2 PHE 27 -5.543 27.141 14.542 211 HE1 PHE 27 HE1 PHE 27 -8.153 26.734 10.351 212 HE2 PHE 27 HE2 PHE 27 -8.015 27.030 14.633 213 HZ PHE 27 HZ PHE 27 -9.324 26.824 12.535 214 H VAL 28 HN VAL 28 -1.117 27.871 11.463 215 HA VAL 28 HA VAL 28 -0.003 28.897 13.989 216 HB VAL 28 HB VAL 28 2.032 27.542 13.264 217 HG11 VAL 28 HG11 VAL 28 -0.626 26.537 14.136 218 HG12 VAL 28 HG12 VAL 28 0.920 26.490 14.973 219 HG13 VAL 28 HG13 VAL 28 0.577 25.328 13.692 220 HG21 VAL 28 HG21 VAL 28 0.709 27.394 10.880 221 HG22 VAL 28 HG22 VAL 28 0.241 25.863 11.616 222 HG23 VAL 28 HG23 VAL 28 1.948 26.246 11.388 223 H LEU 29 HN LEU 29 -0.733 30.464 11.534 224 HA LEU 29 HA LEU 29 1.495 31.223 10.045 225 HB2 LEU 29 HB2 LEU 29 -1.081 31.976 10.039 226 HB3 LEU 29 HB1 LEU 29 -0.399 33.362 10.877 227 HG LEU 29 HG LEU 29 1.370 32.846 8.757 228 HD11 LEU 29 HD11 LEU 29 -0.179 31.477 7.577 229 HD12 LEU 29 HD12 LEU 29 -0.328 33.070 6.839 230 HD13 LEU 29 HD13 LEU 29 -1.538 32.520 7.998 231 HD21 LEU 29 HD21 LEU 29 0.748 35.054 9.673 232 HD22 LEU 29 HD22 LEU 29 -0.874 34.876 9.006 233 HD23 LEU 29 HD23 LEU 29 0.513 35.016 7.925 234 H GLY 30 HN GLY 30 3.418 31.641 10.971 235 HA2 GLY 30 HA2 GLY 30 4.904 33.250 11.895 236 HA3 GLY 30 HA1 GLY 30 3.576 33.888 12.859 237 H ALA 31 HN ALA 31 3.403 30.585 13.004 238 HA ALA 31 HA ALA 31 4.205 30.477 15.737 239 HB1 ALA 31 HB1 ALA 31 3.573 28.176 15.662 240 HB2 ALA 31 HB2 ALA 31 3.768 28.111 13.910 241 HB3 ALA 31 HB3 ALA 31 2.436 29.032 14.618 242 H GLU 32 HN GLU 32 6.092 29.875 16.649 243 HA GLU 32 HA GLU 32 8.455 29.818 15.074 244 HB2 GLU 32 HB2 GLU 32 7.978 29.075 17.966 245 HB3 GLU 32 HB1 GLU 32 9.570 29.229 17.223 246 HG2 GLU 32 HG2 GLU 32 9.023 31.579 16.607 247 HG3 GLU 32 HG1 GLU 32 7.485 31.415 17.451 248 H ASP 33 HN ASP 33 6.589 27.296 16.725 249 HA ASP 33 HA ASP 33 8.389 25.224 15.713 250 HB2 ASP 33 HB2 ASP 33 7.556 25.104 18.046 251 HB3 ASP 33 HB1 ASP 33 5.910 24.973 17.432 252 H GLY 34 HN GLY 34 5.396 26.730 14.953 253 HA2 GLY 34 HA2 GLY 34 4.223 26.514 12.934 254 HA3 GLY 34 HA1 GLY 34 5.082 25.011 12.615 255 H SER 35 HN SER 35 4.255 24.574 15.671 256 HA SER 35 HA SER 35 2.010 22.889 15.022 257 HB2 SER 35 HB2 SER 35 2.178 22.069 17.227 258 HB3 SER 35 HB1 SER 35 3.827 22.382 16.738 259 HG SER 35 HG SER 35 3.778 23.458 18.580 260 H ILE 36 HN ILE 36 -0.124 23.232 15.438 261 HA ILE 36 HA ILE 36 -0.969 25.927 15.934 262 HB ILE 36 HB ILE 36 -2.515 23.358 15.614 263 HG12 ILE 36 HG12 ILE 36 -2.176 25.678 13.705 264 HG13 ILE 36 HG11 ILE 36 -1.196 24.218 13.643 265 HG21 ILE 36 HG21 ILE 36 -4.266 25.357 15.032 266 HG22 ILE 36 HG22 ILE 36 -3.335 26.109 16.329 267 HG23 ILE 36 HG23 ILE 36 -4.168 24.571 16.614 268 HD11 ILE 36 HD11 ILE 36 -3.028 22.860 13.073 269 HD12 ILE 36 HD12 ILE 36 -3.324 24.335 12.144 270 HD13 ILE 36 HD13 ILE 36 -4.201 24.044 13.647 271 H SER 37 HN SER 37 -0.812 26.729 17.929 272 HA SER 37 HA SER 37 -1.564 25.041 20.223 273 HB2 SER 37 HB2 SER 37 -0.332 26.503 21.593 274 HB3 SER 37 HB1 SER 37 0.639 26.385 20.130 275 HG SER 37 HG SER 37 -0.916 28.490 21.104 276 H THR 38 HN THR 38 -2.638 26.450 22.036 277 HA THR 38 HA THR 38 -5.212 27.102 21.193 278 HB THR 38 HB THR 38 -5.175 28.441 23.458 279 HG1 THR 38 HG1 THR 38 -3.077 28.523 23.940 280 HG21 THR 38 HG21 THR 38 -6.266 26.245 22.943 281 HG22 THR 38 HG22 THR 38 -5.655 26.364 24.601 282 HG23 THR 38 HG23 THR 38 -4.756 25.446 23.391 283 H LYS 39 HN LYS 39 -2.358 29.135 21.555 284 HA LYS 39 HA LYS 39 -3.739 31.612 21.122 285 HB2 LYS 39 HB2 LYS 39 -0.936 30.708 21.399 286 HB3 LYS 39 HB1 LYS 39 -1.173 32.159 20.421 287 HG2 LYS 39 HG2 LYS 39 -2.644 31.966 23.017 288 HG3 LYS 39 HG1 LYS 39 -0.913 32.306 23.072 289 HD2 LYS 39 HD2 LYS 39 -2.385 33.867 21.053 290 HD3 LYS 39 HD1 LYS 39 -2.854 34.214 22.719 291 HE2 LYS 39 HE2 LYS 39 -0.491 34.589 23.311 292 HE3 LYS 39 HE1 LYS 39 -0.015 34.234 21.650 293 HZ1 LYS 39 HZ1 LYS 39 -1.150 36.631 22.760 294 HZ2 LYS 39 HZ2 LYS 39 -1.935 36.111 21.346 295 HZ3 LYS 39 HZ3 LYS 39 -0.263 36.413 21.331 296 H GLU 40 HN GLU 40 -1.813 29.439 19.077 297 HA GLU 40 HA GLU 40 -2.190 30.960 16.684 298 HB2 GLU 40 HB2 GLU 40 -1.065 28.273 17.313 299 HB3 GLU 40 HB1 GLU 40 -1.403 28.708 15.641 300 HG2 GLU 40 HG2 GLU 40 0.833 29.392 15.975 301 HG3 GLU 40 HG1 GLU 40 -0.106 30.868 16.147 302 H LEU 41 HN LEU 41 -4.057 28.652 18.400 303 HA LEU 41 HA LEU 41 -5.641 27.819 16.124 304 HB2 LEU 41 HB2 LEU 41 -5.160 26.367 18.138 305 HB3 LEU 41 HB1 LEU 41 -6.272 27.397 19.044 306 HG LEU 41 HG LEU 41 -7.437 26.630 16.505 307 HD11 LEU 41 HD11 LEU 41 -6.027 24.637 16.703 308 HD12 LEU 41 HD12 LEU 41 -7.707 24.217 17.029 309 HD13 LEU 41 HD13 LEU 41 -6.568 24.395 18.364 310 HD21 LEU 41 HD21 LEU 41 -8.252 25.868 19.318 311 HD22 LEU 41 HD22 LEU 41 -9.296 26.068 17.910 312 HD23 LEU 41 HD23 LEU 41 -8.526 27.474 18.644 313 H GLY 42 HN GLY 42 -6.166 29.812 19.037 314 HA2 GLY 42 HA2 GLY 42 -8.814 30.548 18.408 315 HA3 GLY 42 HA1 GLY 42 -7.763 31.426 19.494 316 H LYS 43 HN LYS 43 -5.692 31.995 17.516 317 HA LYS 43 HA LYS 43 -6.439 34.455 16.543 318 HB2 LYS 43 HB2 LYS 43 -4.650 34.065 14.764 319 HB3 LYS 43 HB1 LYS 43 -4.142 33.851 16.440 320 HG2 LYS 43 HG2 LYS 43 -3.464 31.794 15.889 321 HG3 LYS 43 HG1 LYS 43 -5.144 31.352 15.670 322 HD2 LYS 43 HD2 LYS 43 -4.359 30.842 13.562 323 HD3 LYS 43 HD1 LYS 43 -4.736 32.547 13.307 324 HE2 LYS 43 HE2 LYS 43 -2.111 32.312 14.468 325 HE3 LYS 43 HE1 LYS 43 -2.214 31.285 13.037 326 HZ1 LYS 43 HZ1 LYS 43 -2.677 34.195 13.248 327 HZ2 LYS 43 HZ2 LYS 43 -3.279 33.296 11.938 328 HZ3 LYS 43 HZ3 LYS 43 -1.606 33.366 12.226 329 H VAL 44 HN VAL 44 -6.399 31.450 14.609 330 HA VAL 44 HA VAL 44 -7.801 32.517 12.370 331 HB VAL 44 HB VAL 44 -7.240 29.718 13.367 332 HG11 VAL 44 HG11 VAL 44 -8.973 30.592 11.054 333 HG12 VAL 44 HG12 VAL 44 -9.442 29.566 12.415 334 HG13 VAL 44 HG13 VAL 44 -8.289 28.975 11.216 335 HG21 VAL 44 HG21 VAL 44 -5.841 29.615 11.443 336 HG22 VAL 44 HG22 VAL 44 -5.533 31.199 12.152 337 HG23 VAL 44 HG23 VAL 44 -6.577 31.053 10.742 338 H MET 45 HN MET 45 -8.826 31.023 15.385 339 HA MET 45 HA MET 45 -11.511 30.521 14.751 340 HB2 MET 45 HB2 MET 45 -10.175 31.312 17.344 341 HB3 MET 45 HB1 MET 45 -11.861 30.834 17.238 342 HG2 MET 45 HG2 MET 45 -9.579 29.116 16.254 343 HG3 MET 45 HG1 MET 45 -10.294 28.960 17.860 344 HE1 MET 45 HE1 MET 45 -13.620 27.505 17.518 345 HE2 MET 45 HE2 MET 45 -13.440 29.258 17.553 346 HE3 MET 45 HE3 MET 45 -12.327 28.245 18.476 347 H ARG 46 HN ARG 46 -9.908 33.465 15.947 348 HA ARG 46 HA ARG 46 -12.269 35.052 16.125 349 HB2 ARG 46 HB2 ARG 46 -9.360 35.816 15.840 350 HB3 ARG 46 HB1 ARG 46 -10.664 36.975 16.109 351 HG2 ARG 46 HG2 ARG 46 -11.278 35.803 18.191 352 HG3 ARG 46 HG1 ARG 46 -9.964 34.654 17.929 353 HD2 ARG 46 HD2 ARG 46 -9.202 36.355 19.482 354 HD3 ARG 46 HD1 ARG 46 -8.355 36.567 17.956 355 HE ARG 46 HE ARG 46 -10.574 38.262 18.934 356 HH11 ARG 46 HH11 ARG 46 -7.914 37.642 16.784 357 HH12 ARG 46 HH12 ARG 46 -7.890 39.246 16.146 358 HH21 ARG 46 HH21 ARG 46 -10.535 40.359 18.082 359 HH22 ARG 46 HH22 ARG 46 -9.370 40.781 16.874 360 H MET 47 HN MET 47 -10.019 34.282 13.580 361 HA MET 47 HA MET 47 -10.738 36.241 11.706 362 HB2 MET 47 HB2 MET 47 -9.720 33.419 11.356 363 HB3 MET 47 HB1 MET 47 -9.922 34.537 10.024 364 HG2 MET 47 HG2 MET 47 -8.539 36.137 11.673 365 HG3 MET 47 HG1 MET 47 -7.932 34.571 12.213 366 HE1 MET 47 HE1 MET 47 -6.577 32.814 9.339 367 HE2 MET 47 HE2 MET 47 -8.226 33.117 8.796 368 HE3 MET 47 HE3 MET 47 -7.916 32.760 10.493 369 H LEU 48 HN LEU 48 -12.171 33.130 12.529 370 HA LEU 48 HA LEU 48 -14.164 33.313 10.415 371 HB2 LEU 48 HB2 LEU 48 -13.931 31.328 12.674 372 HB3 LEU 48 HB1 LEU 48 -14.930 31.173 11.227 373 HG LEU 48 HG LEU 48 -11.910 31.395 11.238 374 HD11 LEU 48 HD11 LEU 48 -13.726 29.044 10.712 375 HD12 LEU 48 HD12 LEU 48 -12.739 29.268 12.155 376 HD13 LEU 48 HD13 LEU 48 -11.968 29.049 10.579 377 HD21 LEU 48 HD21 LEU 48 -13.952 30.974 9.043 378 HD22 LEU 48 HD22 LEU 48 -12.223 30.693 8.833 379 HD23 LEU 48 HD23 LEU 48 -12.816 32.315 9.195 380 H GLY 49 HN GLY 49 -13.790 34.789 13.325 381 HA2 GLY 49 HA2 GLY 49 -15.446 36.259 14.222 382 HA3 GLY 49 HA1 GLY 49 -16.692 35.160 13.643 383 H GLN 50 HN GLN 50 -14.178 33.418 14.995 384 HA GLN 50 HA GLN 50 -15.757 32.904 17.414 385 HB2 GLN 50 HB2 GLN 50 -13.317 31.449 16.397 386 HB3 GLN 50 HB1 GLN 50 -14.436 30.912 17.644 387 HG2 GLN 50 HG2 GLN 50 -15.078 31.345 14.702 388 HG3 GLN 50 HG1 GLN 50 -14.977 29.791 15.533 389 HE21 GLN 50 HE21 GLN 50 -16.537 29.704 17.589 390 HE22 GLN 50 HE22 GLN 50 -18.086 30.352 17.345 391 H ASN 51 HN ASN 51 -15.106 33.525 19.409 392 HA ASN 51 HA ASN 51 -12.319 34.446 19.683 393 HB2 ASN 51 HB2 ASN 51 -13.937 36.345 19.538 394 HB3 ASN 51 HB1 ASN 51 -14.737 35.711 20.972 395 HD21 ASN 51 HD21 ASN 51 -12.984 38.250 20.388 396 HD22 ASN 51 HD22 ASN 51 -11.889 38.254 21.684 397 HA PRO 52 HA PRO 52 -13.555 31.450 23.034 398 HB2 PRO 52 HB2 PRO 52 -11.906 29.403 22.346 399 HB3 PRO 52 HB1 PRO 52 -13.532 29.586 21.681 400 HG2 PRO 52 HG2 PRO 52 -10.900 30.205 20.458 401 HG3 PRO 52 HG1 PRO 52 -12.372 29.569 19.717 402 HD2 PRO 52 HD2 PRO 52 -11.563 32.211 19.558 403 HD3 PRO 52 HD1 PRO 52 -13.217 31.666 19.322 404 H THR 53 HN THR 53 -12.480 31.439 24.960 405 HA THR 53 HA THR 53 -9.986 32.839 25.184 406 HB THR 53 HB THR 53 -10.177 32.276 27.592 407 HG1 THR 53 HG1 THR 53 -11.633 30.310 26.645 408 HG21 THR 53 HG21 THR 53 -11.300 34.250 27.092 409 HG22 THR 53 HG22 THR 53 -12.592 33.283 27.807 410 HG23 THR 53 HG23 THR 53 -12.474 33.438 26.055 411 HA PRO 54 HA PRO 54 -6.958 29.716 24.809 412 HB2 PRO 54 HB2 PRO 54 -5.899 30.669 27.432 413 HB3 PRO 54 HB1 PRO 54 -5.073 30.501 25.874 414 HG2 PRO 54 HG2 PRO 54 -5.767 32.874 26.770 415 HG3 PRO 54 HG1 PRO 54 -5.916 32.486 25.055 416 HD2 PRO 54 HD2 PRO 54 -8.066 32.676 27.145 417 HD3 PRO 54 HD1 PRO 54 -8.116 33.139 25.429 418 H GLU 55 HN GLU 55 -8.473 30.087 27.988 419 HA GLU 55 HA GLU 55 -7.729 27.604 29.094 420 HB2 GLU 55 HB2 GLU 55 -10.117 29.387 29.592 421 HB3 GLU 55 HB1 GLU 55 -9.770 27.952 30.549 422 HG2 GLU 55 HG2 GLU 55 -7.655 28.863 31.246 423 HG3 GLU 55 HG1 GLU 55 -7.809 30.223 30.144 424 H GLU 56 HN GLU 56 -10.511 28.572 27.116 425 HA GLU 56 HA GLU 56 -11.663 25.913 27.156 426 HB2 GLU 56 HB2 GLU 56 -12.494 28.549 26.336 427 HB3 GLU 56 HB1 GLU 56 -12.839 27.374 25.076 428 HG2 GLU 56 HG2 GLU 56 -13.865 25.936 26.863 429 HG3 GLU 56 HG1 GLU 56 -13.697 27.281 27.978 430 H LEU 57 HN LEU 57 -9.765 27.911 24.974 431 HA LEU 57 HA LEU 57 -9.870 26.260 22.695 432 HB2 LEU 57 HB2 LEU 57 -7.907 28.294 23.632 433 HB3 LEU 57 HB1 LEU 57 -7.645 27.393 22.161 434 HG LEU 57 HG LEU 57 -10.187 28.912 22.754 435 HD11 LEU 57 HD11 LEU 57 -9.066 30.310 20.794 436 HD12 LEU 57 HD12 LEU 57 -7.586 29.705 21.564 437 HD13 LEU 57 HD13 LEU 57 -8.734 30.676 22.495 438 HD21 LEU 57 HD21 LEU 57 -9.489 28.570 19.991 439 HD22 LEU 57 HD22 LEU 57 -10.921 27.970 20.841 440 HD23 LEU 57 HD23 LEU 57 -9.447 26.998 20.796 441 H GLN 58 HN GLN 58 -7.969 26.143 25.617 442 HA GLN 58 HA GLN 58 -5.919 24.416 24.788 443 HB2 GLN 58 HB2 GLN 58 -6.069 25.654 26.986 444 HB3 GLN 58 HB1 GLN 58 -7.226 24.432 27.517 445 HG2 GLN 58 HG2 GLN 58 -5.535 22.675 27.048 446 HG3 GLN 58 HG1 GLN 58 -4.380 23.926 26.613 447 HE21 GLN 58 HE21 GLN 58 -3.089 24.675 28.302 448 HE22 GLN 58 HE22 GLN 58 -3.460 24.509 29.950 449 H GLU 59 HN GLU 59 -9.179 23.728 26.042 450 HA GLU 59 HA GLU 59 -8.895 20.891 26.076 451 HB2 GLU 59 HB2 GLU 59 -10.657 22.077 27.335 452 HB3 GLU 59 HB1 GLU 59 -11.403 22.577 25.816 453 HG2 GLU 59 HG2 GLU 59 -11.689 20.187 25.198 454 HG3 GLU 59 HG1 GLU 59 -11.008 19.721 26.754 455 H MET 60 HN MET 60 -10.174 23.191 23.695 456 HA MET 60 HA MET 60 -11.092 21.305 21.815 457 HB2 MET 60 HB2 MET 60 -10.322 24.182 21.733 458 HB3 MET 60 HB1 MET 60 -10.451 23.324 20.198 459 HG2 MET 60 HG2 MET 60 -12.623 24.235 20.644 460 HG3 MET 60 HG1 MET 60 -12.732 22.509 20.980 461 HE1 MET 60 HE1 MET 60 -12.932 25.920 21.863 462 HE2 MET 60 HE2 MET 60 -11.702 25.934 23.124 463 HE3 MET 60 HE3 MET 60 -13.404 26.058 23.563 464 H ILE 61 HN ILE 61 -7.908 22.742 22.325 465 HA ILE 61 HA ILE 61 -6.643 21.782 19.985 466 HB ILE 61 HB ILE 61 -5.538 22.338 22.749 467 HG12 ILE 61 HG12 ILE 61 -6.290 23.952 20.385 468 HG13 ILE 61 HG11 ILE 61 -6.107 24.440 22.055 469 HG21 ILE 61 HG21 ILE 61 -3.349 22.389 21.569 470 HG22 ILE 61 HG22 ILE 61 -4.154 21.850 20.088 471 HG23 ILE 61 HG23 ILE 61 -4.109 20.793 21.505 472 HD11 ILE 61 HD11 ILE 61 -3.787 23.909 20.189 473 HD12 ILE 61 HD12 ILE 61 -3.704 24.595 21.814 474 HD13 ILE 61 HD13 ILE 61 -4.466 25.501 20.510 475 H ASP 62 HN ASP 62 -6.902 20.407 23.263 476 HA ASP 62 HA ASP 62 -5.388 18.093 22.887 477 HB2 ASP 62 HB2 ASP 62 -6.129 18.821 25.082 478 HB3 ASP 62 HB1 ASP 62 -7.803 18.528 24.633 479 H GLU 63 HN GLU 63 -8.593 18.912 21.834 480 HA GLU 63 HA GLU 63 -9.841 16.501 21.437 481 HB2 GLU 63 HB2 GLU 63 -10.391 18.995 20.630 482 HB3 GLU 63 HB1 GLU 63 -9.806 18.359 19.104 483 HG2 GLU 63 HG2 GLU 63 -12.124 17.899 19.077 484 HG3 GLU 63 HG1 GLU 63 -11.377 16.367 19.526 485 H VAL 64 HN VAL 64 -7.184 17.892 19.547 486 HA VAL 64 HA VAL 64 -6.938 15.313 18.118 487 HB VAL 64 HB VAL 64 -5.641 16.925 16.434 488 HG11 VAL 64 HG11 VAL 64 -7.606 16.889 15.086 489 HG12 VAL 64 HG12 VAL 64 -8.670 16.973 16.501 490 HG13 VAL 64 HG13 VAL 64 -7.775 15.489 16.150 491 HG21 VAL 64 HG21 VAL 64 -7.835 18.790 17.245 492 HG22 VAL 64 HG22 VAL 64 -6.284 19.141 16.472 493 HG23 VAL 64 HG23 VAL 64 -6.351 18.809 18.204 494 H ASP 65 HN ASP 65 -5.506 17.521 20.250 495 HA ASP 65 HA ASP 65 -2.763 16.753 19.660 496 HB2 ASP 65 HB2 ASP 65 -3.209 19.035 20.391 497 HB3 ASP 65 HB1 ASP 65 -3.927 18.437 21.881 498 H GLU 66 HN GLU 66 -3.524 14.416 20.007 499 HA GLU 66 HA GLU 66 -4.033 13.479 22.639 500 HB2 GLU 66 HB2 GLU 66 -4.600 12.223 20.565 501 HB3 GLU 66 HB1 GLU 66 -2.879 11.930 20.338 502 HG2 GLU 66 HG2 GLU 66 -2.766 10.803 22.520 503 HG3 GLU 66 HG1 GLU 66 -4.482 11.118 22.769 504 H ASP 67 HN ASP 67 -1.199 14.536 21.067 505 HA ASP 67 HA ASP 67 0.682 12.914 22.513 506 HB2 ASP 67 HB2 ASP 67 1.502 15.566 21.451 507 HB3 ASP 67 HB1 ASP 67 2.277 13.992 21.279 508 H GLY 68 HN GLY 68 -1.245 15.592 23.345 509 HA2 GLY 68 HA2 GLY 68 -1.426 16.674 25.388 510 HA3 GLY 68 HA1 GLY 68 -0.026 15.768 25.954 511 H SER 69 HN SER 69 0.793 17.097 23.044 512 HA SER 69 HA SER 69 2.646 18.930 24.164 513 HB2 SER 69 HB2 SER 69 3.105 19.563 21.834 514 HB3 SER 69 HB1 SER 69 3.009 17.810 22.001 515 HG SER 69 HG SER 69 1.344 17.828 20.727 516 H GLY 70 HN GLY 70 -0.665 19.204 23.378 517 HA2 GLY 70 HA2 GLY 70 -2.132 20.961 23.716 518 HA3 GLY 70 HA1 GLY 70 -0.775 21.922 24.298 519 H THR 71 HN THR 71 -0.200 20.448 21.309 520 HA THR 71 HA THR 71 -1.132 22.782 19.774 521 HB THR 71 HB THR 71 1.189 22.548 18.579 522 HG1 THR 71 HG1 THR 71 2.799 21.918 20.011 523 HG21 THR 71 HG21 THR 71 0.268 24.496 19.914 524 HG22 THR 71 HG22 THR 71 2.023 24.349 19.908 525 HG23 THR 71 HG23 THR 71 1.097 23.818 21.313 526 H VAL 72 HN VAL 72 -2.021 22.235 17.911 527 HA VAL 72 HA VAL 72 -1.868 19.446 17.027 528 HB VAL 72 HB VAL 72 -4.104 19.810 16.876 529 HG11 VAL 72 HG11 VAL 72 -4.365 21.771 18.090 530 HG12 VAL 72 HG12 VAL 72 -4.929 22.293 16.505 531 HG13 VAL 72 HG13 VAL 72 -3.307 22.697 17.036 532 HG21 VAL 72 HG21 VAL 72 -4.819 20.438 14.729 533 HG22 VAL 72 HG22 VAL 72 -3.144 19.956 14.455 534 HG23 VAL 72 HG23 VAL 72 -3.566 21.665 14.561 535 H ASP 73 HN ASP 73 -0.322 19.007 15.596 536 HA ASP 73 HA ASP 73 0.785 21.062 13.879 537 HB2 ASP 73 HB2 ASP 73 2.391 19.421 13.224 538 HB3 ASP 73 HB1 ASP 73 2.142 19.210 14.957 539 H PHE 74 HN PHE 74 1.349 19.659 11.566 540 HA PHE 74 HA PHE 74 -0.922 20.112 10.011 541 HB2 PHE 74 HB2 PHE 74 1.229 20.053 8.955 542 HB3 PHE 74 HB1 PHE 74 1.514 18.399 9.497 543 HD1 PHE 74 HD1 PHE 74 -1.831 19.402 8.392 544 HD2 PHE 74 HD2 PHE 74 1.886 17.635 7.171 545 HE1 PHE 74 HE1 PHE 74 -2.927 18.545 6.332 546 HE2 PHE 74 HE2 PHE 74 0.801 16.775 5.112 547 HZ PHE 74 HZ PHE 74 -1.601 17.230 4.694 548 H ASP 75 HN ASP 75 0.399 17.001 11.179 549 HA ASP 75 HA ASP 75 -1.654 15.405 10.071 550 HB2 ASP 75 HB2 ASP 75 0.135 14.910 12.442 551 HB3 ASP 75 HB1 ASP 75 -0.883 13.692 11.675 552 H GLU 76 HN GLU 76 -1.250 16.847 13.294 553 HA GLU 76 HA GLU 76 -3.597 15.744 14.435 554 HB2 GLU 76 HB2 GLU 76 -1.987 18.216 15.103 555 HB3 GLU 76 HB1 GLU 76 -3.346 17.654 16.078 556 HG2 GLU 76 HG2 GLU 76 -2.222 15.483 16.402 557 HG3 GLU 76 HG1 GLU 76 -0.871 16.040 15.419 558 H PHE 77 HN PHE 77 -2.955 18.785 12.745 559 HA PHE 77 HA PHE 77 -5.550 19.857 13.107 560 HB2 PHE 77 HB2 PHE 77 -4.562 21.664 12.232 561 HB3 PHE 77 HB1 PHE 77 -3.120 20.702 11.936 562 HD1 PHE 77 HD1 PHE 77 -6.332 21.823 10.471 563 HD2 PHE 77 HD2 PHE 77 -2.571 19.908 9.745 564 HE1 PHE 77 HE1 PHE 77 -6.739 21.954 8.038 565 HE2 PHE 77 HE2 PHE 77 -2.983 20.042 7.303 566 HZ PHE 77 HZ PHE 77 -5.059 21.058 6.460 567 H LEU 78 HN LEU 78 -4.040 17.920 10.577 568 HA LEU 78 HA LEU 78 -6.119 17.983 8.682 569 HB2 LEU 78 HB2 LEU 78 -3.667 16.896 8.709 570 HB3 LEU 78 HB1 LEU 78 -4.594 15.445 9.090 571 HG LEU 78 HG LEU 78 -4.444 15.524 6.700 572 HD11 LEU 78 HD11 LEU 78 -6.782 15.327 7.914 573 HD12 LEU 78 HD12 LEU 78 -6.682 15.424 6.151 574 HD13 LEU 78 HD13 LEU 78 -7.074 16.865 7.095 575 HD21 LEU 78 HD21 LEU 78 -4.482 18.364 7.162 576 HD22 LEU 78 HD22 LEU 78 -5.772 17.939 6.030 577 HD23 LEU 78 HD23 LEU 78 -4.104 17.490 5.669 578 H VAL 79 HN VAL 79 -5.593 15.976 11.538 579 HA VAL 79 HA VAL 79 -7.745 14.199 11.174 580 HB VAL 79 HB VAL 79 -6.319 15.144 13.635 581 HG11 VAL 79 HG11 VAL 79 -8.344 14.523 14.597 582 HG12 VAL 79 HG12 VAL 79 -7.533 12.957 14.521 583 HG13 VAL 79 HG13 VAL 79 -8.724 13.394 13.295 584 HG21 VAL 79 HG21 VAL 79 -6.186 12.334 13.078 585 HG22 VAL 79 HG22 VAL 79 -4.867 13.513 13.064 586 HG23 VAL 79 HG23 VAL 79 -5.805 13.217 11.598 587 H MET 80 HN MET 80 -7.495 17.376 12.686 588 HA MET 80 HA MET 80 -10.048 17.499 13.846 589 HB2 MET 80 HB2 MET 80 -8.450 19.734 12.575 590 HB3 MET 80 HB1 MET 80 -9.788 19.942 13.701 591 HG2 MET 80 HG2 MET 80 -8.517 18.601 15.386 592 HG3 MET 80 HG1 MET 80 -7.146 18.574 14.278 593 HE1 MET 80 HE1 MET 80 -6.251 22.111 13.673 594 HE2 MET 80 HE2 MET 80 -7.977 22.162 13.332 595 HE3 MET 80 HE3 MET 80 -7.036 20.760 12.857 596 H MET 81 HN MET 81 -8.959 18.226 10.542 597 HA MET 81 HA MET 81 -11.378 19.284 9.561 598 HB2 MET 81 HB2 MET 81 -9.125 17.825 8.214 599 HB3 MET 81 HB1 MET 81 -10.477 18.505 7.327 600 HG2 MET 81 HG2 MET 81 -8.678 20.069 9.157 601 HG3 MET 81 HG1 MET 81 -8.546 20.048 7.409 602 HE1 MET 81 HE1 MET 81 -9.955 23.578 8.173 603 HE2 MET 81 HE2 MET 81 -8.592 22.608 7.619 604 HE3 MET 81 HE3 MET 81 -8.983 22.666 9.336 605 H VAL 82 HN VAL 82 -10.124 15.979 9.657 606 HA VAL 82 HA VAL 82 -12.467 14.861 8.415 607 HB VAL 82 HB VAL 82 -10.921 13.274 8.025 608 HG11 VAL 82 HG11 VAL 82 -8.797 13.141 9.274 609 HG12 VAL 82 HG12 VAL 82 -9.422 14.304 10.436 610 HG13 VAL 82 HG13 VAL 82 -9.145 14.794 8.769 611 HG21 VAL 82 HG21 VAL 82 -10.970 12.593 10.977 612 HG22 VAL 82 HG22 VAL 82 -10.813 11.496 9.593 613 HG23 VAL 82 HG23 VAL 82 -12.360 12.279 9.930 614 H ARG 83 HN ARG 83 -11.383 15.471 11.674 615 HA ARG 83 HA ARG 83 -13.121 13.772 13.057 616 HB2 ARG 83 HB2 ARG 83 -11.831 16.382 13.756 617 HB3 ARG 83 HB1 ARG 83 -12.902 15.562 14.889 618 HG2 ARG 83 HG2 ARG 83 -11.387 13.487 14.199 619 HG3 ARG 83 HG1 ARG 83 -10.219 14.744 13.905 620 HD2 ARG 83 HD2 ARG 83 -9.910 14.090 16.180 621 HD3 ARG 83 HD1 ARG 83 -10.762 15.626 16.226 622 HE ARG 83 HE ARG 83 -12.707 13.624 16.200 623 HH11 ARG 83 HH11 ARG 83 -10.085 14.708 18.183 624 HH12 ARG 83 HH12 ARG 83 -10.808 14.179 19.665 625 HH21 ARG 83 HH21 ARG 83 -13.658 12.927 18.138 626 HH22 ARG 83 HH22 ARG 83 -12.831 13.170 19.641 627 H SER 84 HN SER 84 -13.528 17.110 11.920 628 HA SER 84 HA SER 84 -16.181 17.422 12.930 629 HB2 SER 84 HB2 SER 84 -14.676 18.921 10.773 630 HB3 SER 84 HB1 SER 84 -16.246 19.402 11.413 631 HG SER 84 HG SER 84 -13.725 19.345 12.659 632 H MET 85 HN MET 85 -14.802 16.443 9.823 633 HA MET 85 HA MET 85 -17.198 16.387 8.339 634 HB2 MET 85 HB2 MET 85 -14.628 14.816 8.059 635 HB3 MET 85 HB1 MET 85 -15.951 14.726 6.894 636 HG2 MET 85 HG2 MET 85 -15.804 17.242 6.691 637 HG3 MET 85 HG1 MET 85 -14.348 17.177 7.649 638 HE1 MET 85 HE1 MET 85 -12.480 14.754 6.584 639 HE2 MET 85 HE2 MET 85 -12.355 16.406 7.196 640 HE3 MET 85 HE3 MET 85 -11.634 15.993 5.643 641 H LYS 86 HN LYS 86 -15.617 13.941 10.358 642 HA LYS 86 HA LYS 86 -17.343 11.795 9.738 643 HB2 LYS 86 HB2 LYS 86 -15.115 11.708 10.983 644 HB3 LYS 86 HB1 LYS 86 -16.011 12.221 12.412 645 HG2 LYS 86 HG2 LYS 86 -16.267 9.959 12.688 646 HG3 LYS 86 HG1 LYS 86 -17.619 10.218 11.585 647 HD2 LYS 86 HD2 LYS 86 -15.794 9.884 9.720 648 HD3 LYS 86 HD1 LYS 86 -14.900 9.077 11.008 649 HE2 LYS 86 HE2 LYS 86 -17.088 7.754 11.424 650 HE3 LYS 86 HE1 LYS 86 -17.571 8.329 9.828 651 HZ1 LYS 86 HZ1 LYS 86 -16.420 6.626 9.028 652 HZ2 LYS 86 HZ2 LYS 86 -15.696 6.294 10.529 653 HZ3 LYS 86 HZ3 LYS 86 -15.010 7.448 9.489 654 H ASP 87 HN ASP 87 -17.466 14.301 12.258 655 HA ASP 87 HA ASP 87 -19.159 14.962 13.671 656 HB2 ASP 87 HB2 ASP 87 -20.202 15.419 11.433 657 HB3 ASP 87 HB1 ASP 87 -20.975 13.838 11.529 658 H ASP 88 HN ASP 88 -19.870 14.077 15.510 659 HA ASP 88 HA ASP 88 -19.866 11.298 15.964 660 HB2 ASP 88 HB2 ASP 88 -21.069 13.597 17.514 661 HB3 ASP 88 HB1 ASP 88 -21.080 11.935 18.101 662 H SER 89 HN SER 89 -22.517 13.565 15.313 663 HA SER 89 HA SER 89 -24.643 11.748 15.707 664 HB2 SER 89 HB2 SER 89 -24.448 14.215 13.965 665 HB3 SER 89 HB1 SER 89 -25.946 13.345 14.288 666 HG SER 89 HG SER 89 -25.918 14.025 16.319 667 H LYS 90 HN LYS 90 -22.695 12.556 12.870 668 HA LYS 90 HA LYS 90 -22.318 11.380 10.928 669 HB2 LYS 90 HB2 LYS 90 -23.341 9.373 12.762 670 HB3 LYS 90 HB1 LYS 90 -23.850 9.050 11.104 671 HG2 LYS 90 HG2 LYS 90 -21.098 9.896 11.105 672 HG3 LYS 90 HG1 LYS 90 -21.305 8.563 12.241 673 HD2 LYS 90 HD2 LYS 90 -20.897 7.495 10.172 674 HD3 LYS 90 HD1 LYS 90 -22.649 7.415 10.362 675 HE2 LYS 90 HE2 LYS 90 -22.515 9.769 9.104 676 HE3 LYS 90 HE1 LYS 90 -21.020 9.069 8.483 677 HZ1 LYS 90 HZ1 LYS 90 -22.126 7.441 7.378 678 HZ2 LYS 90 HZ2 LYS 90 -23.322 8.645 7.322 679 HZ3 LYS 90 HZ3 LYS 90 -23.420 7.399 8.473 680 H GLY 136 HN GLY 136 -25.381 9.762 11.291 681 HA2 GLY 136 HA2 GLY 136 -26.770 11.762 9.659 682 HA3 GLY 136 HA1 GLY 136 -26.585 10.147 8.980 683 H LYS 137 HN LYS 137 -26.780 9.961 12.317 684 HA LYS 137 HA LYS 137 -29.339 8.685 12.232 685 HB2 LYS 137 HB2 LYS 137 -27.480 9.431 14.485 686 HB3 LYS 137 HB1 LYS 137 -29.044 8.668 14.769 687 HG2 LYS 137 HG2 LYS 137 -28.317 6.859 13.128 688 HG3 LYS 137 HG1 LYS 137 -26.700 7.558 13.208 689 HD2 LYS 137 HD2 LYS 137 -27.068 7.374 15.812 690 HD3 LYS 137 HD1 LYS 137 -28.268 6.165 15.354 691 HE2 LYS 137 HE2 LYS 137 -26.674 4.752 14.383 692 HE3 LYS 137 HE1 LYS 137 -25.502 6.056 14.179 693 HZ1 LYS 137 HZ1 LYS 137 -26.144 5.803 16.904 694 HZ2 LYS 137 HZ2 LYS 137 -24.642 5.576 16.143 695 HZ3 LYS 137 HZ3 LYS 137 -25.722 4.274 16.306 696 H PHE 138 HN PHE 138 -31.273 9.321 13.222 697 HA PHE 138 HA PHE 138 -31.673 12.215 13.275 698 HB2 PHE 138 HB2 PHE 138 -33.542 9.849 13.274 699 HB3 PHE 138 HB1 PHE 138 -34.113 11.492 13.560 700 HD1 PHE 138 HD1 PHE 138 -32.489 9.242 11.098 701 HD2 PHE 138 HD2 PHE 138 -34.198 13.121 11.798 702 HE1 PHE 138 HE1 PHE 138 -32.496 9.681 8.656 703 HE2 PHE 138 HE2 PHE 138 -34.204 13.560 9.358 704 HZ PHE 138 HZ PHE 138 -33.353 11.841 7.786 705 H LYS 139 HN LYS 139 -31.140 13.148 15.149 706 HA LYS 139 HA LYS 139 -32.644 12.746 17.488 707 HB2 LYS 139 HB2 LYS 139 -30.791 10.743 17.250 708 HB3 LYS 139 HB1 LYS 139 -29.919 11.929 18.221 709 HG2 LYS 139 HG2 LYS 139 -32.624 10.705 18.822 710 HG3 LYS 139 HG1 LYS 139 -31.132 10.508 19.746 711 HD2 LYS 139 HD2 LYS 139 -32.426 13.207 19.298 712 HD3 LYS 139 HD1 LYS 139 -32.801 12.193 20.691 713 HE2 LYS 139 HE2 LYS 139 -29.967 12.963 19.964 714 HE3 LYS 139 HE1 LYS 139 -30.965 13.935 21.046 715 HZ1 LYS 139 HZ1 LYS 139 -30.058 11.143 21.418 716 HZ2 LYS 139 HZ2 LYS 139 -31.319 11.817 22.336 717 HZ3 LYS 139 HZ3 LYS 139 -29.758 12.482 22.413 718 H ARG 140 HN ARG 140 -32.271 15.031 16.359 719 HA ARG 140 HA ARG 140 -30.592 16.499 18.218 720 HB2 ARG 140 HB2 ARG 140 -30.136 16.564 15.249 721 HB3 ARG 140 HB1 ARG 140 -29.589 17.840 16.324 722 HG2 ARG 140 HG2 ARG 140 -28.470 15.990 17.699 723 HG3 ARG 140 HG1 ARG 140 -28.757 14.940 16.311 724 HD2 ARG 140 HD2 ARG 140 -27.310 17.593 16.165 725 HD3 ARG 140 HD1 ARG 140 -26.498 16.032 16.284 726 HE ARG 140 HE ARG 140 -28.347 16.067 14.103 727 HH11 ARG 140 HH11 ARG 140 -25.238 17.161 15.162 728 HH12 ARG 140 HH12 ARG 140 -24.572 17.244 13.566 729 HH21 ARG 140 HH21 ARG 140 -27.478 16.181 12.004 730 HH22 ARG 140 HH22 ARG 140 -25.839 16.693 11.780 731 HA PRO 141 HA PRO 141 -33.646 19.601 18.027 732 HB2 PRO 141 HB2 PRO 141 -31.671 21.713 17.403 733 HB3 PRO 141 HB1 PRO 141 -32.667 21.492 18.852 734 HG2 PRO 141 HG2 PRO 141 -30.043 21.069 18.901 735 HG3 PRO 141 HG1 PRO 141 -31.167 20.073 19.847 736 HD2 PRO 141 HD2 PRO 141 -29.812 19.423 17.236 737 HD3 PRO 141 HD1 PRO 141 -30.070 18.380 18.651 738 H THR 142 HN THR 142 -31.235 20.183 15.460 739 HA THR 142 HA THR 142 -33.101 20.005 13.339 740 HB THR 142 HB THR 142 -32.193 22.839 13.635 741 HG1 THR 142 HG1 THR 142 -33.971 23.300 14.876 742 HG21 THR 142 HG21 THR 142 -34.435 23.147 12.480 743 HG22 THR 142 HG22 THR 142 -34.533 21.388 12.383 744 HG23 THR 142 HG23 THR 142 -33.232 22.246 11.558 745 H LEU 143 HN LEU 143 -31.581 22.355 12.021 746 HA LEU 143 HA LEU 143 -29.241 20.741 11.258 747 HB2 LEU 143 HB2 LEU 143 -30.504 23.093 9.838 748 HB3 LEU 143 HB1 LEU 143 -29.197 22.082 9.223 749 HG LEU 143 HG LEU 143 -31.987 21.125 9.923 750 HD11 LEU 143 HD11 LEU 143 -30.797 21.011 7.184 751 HD12 LEU 143 HD12 LEU 143 -31.417 22.558 7.760 752 HD13 LEU 143 HD13 LEU 143 -32.488 21.159 7.666 753 HD21 LEU 143 HD21 LEU 143 -30.841 19.169 10.195 754 HD22 LEU 143 HD22 LEU 143 -29.427 19.761 9.324 755 HD23 LEU 143 HD23 LEU 143 -30.824 19.162 8.431 756 H ARG 144 HN ARG 144 -29.785 22.897 13.520 757 HA ARG 144 HA ARG 144 -27.997 25.037 13.029 758 HB2 ARG 144 HB2 ARG 144 -28.862 23.811 15.661 759 HB3 ARG 144 HB1 ARG 144 -28.086 25.384 15.468 760 HG2 ARG 144 HG2 ARG 144 -30.598 24.737 13.941 761 HG3 ARG 144 HG1 ARG 144 -30.690 25.288 15.616 762 HD2 ARG 144 HD2 ARG 144 -29.655 27.356 15.109 763 HD3 ARG 144 HD1 ARG 144 -29.076 26.781 13.548 764 HE ARG 144 HE ARG 144 -31.653 26.629 13.083 765 HH11 ARG 144 HH11 ARG 144 -29.951 29.019 14.931 766 HH12 ARG 144 HH12 ARG 144 -31.079 30.284 14.581 767 HH21 ARG 144 HH21 ARG 144 -33.120 28.291 12.612 768 HH22 ARG 144 HH22 ARG 144 -32.869 29.874 13.269 769 H ARG 145 HN ARG 145 -25.841 25.304 13.459 770 HA ARG 145 HA ARG 145 -24.333 23.165 14.767 771 HB2 ARG 145 HB2 ARG 145 -22.829 22.816 12.919 772 HB3 ARG 145 HB1 ARG 145 -24.472 22.572 12.326 773 HG2 ARG 145 HG2 ARG 145 -23.062 25.238 12.115 774 HG3 ARG 145 HG1 ARG 145 -22.952 24.011 10.853 775 HD2 ARG 145 HD2 ARG 145 -25.568 23.988 11.020 776 HD3 ARG 145 HD1 ARG 145 -25.356 25.564 11.776 777 HE ARG 145 HE ARG 145 -24.850 24.895 8.985 778 HH11 ARG 145 HH11 ARG 145 -24.423 27.095 11.623 779 HH12 ARG 145 HH12 ARG 145 -24.088 28.459 10.609 780 HH21 ARG 145 HH21 ARG 145 -24.411 26.678 7.652 781 HH22 ARG 145 HH22 ARG 145 -24.082 28.223 8.361 782 H VAL 146 HN VAL 146 -22.319 23.835 15.538 783 HA VAL 146 HA VAL 146 -21.685 26.700 15.192 784 HB VAL 146 HB VAL 146 -21.487 25.174 17.796 785 HG11 VAL 146 HG11 VAL 146 -19.927 26.903 17.932 786 HG12 VAL 146 HG12 VAL 146 -21.378 27.700 18.541 787 HG13 VAL 146 HG13 VAL 146 -20.860 27.963 16.875 788 HG21 VAL 146 HG21 VAL 146 -23.357 27.384 17.765 789 HG22 VAL 146 HG22 VAL 146 -23.641 25.701 18.210 790 HG23 VAL 146 HG23 VAL 146 -23.788 26.205 16.525 791 H ARG 147 HN ARG 147 -20.606 23.440 15.842 792 HA ARG 147 HA ARG 147 -17.964 23.597 16.381 793 HB2 ARG 147 HB2 ARG 147 -18.446 21.833 14.076 794 HB3 ARG 147 HB1 ARG 147 -17.847 21.442 15.686 795 HG2 ARG 147 HG2 ARG 147 -19.924 20.355 15.638 796 HG3 ARG 147 HG1 ARG 147 -20.316 21.875 16.435 797 HD2 ARG 147 HD2 ARG 147 -21.892 22.142 14.847 798 HD3 ARG 147 HD1 ARG 147 -20.557 22.504 13.753 799 HE ARG 147 HE ARG 147 -20.794 20.373 12.811 800 HH11 ARG 147 HH11 ARG 147 -22.709 20.770 15.664 801 HH12 ARG 147 HH12 ARG 147 -23.613 19.313 15.428 802 HH21 ARG 147 HH21 ARG 147 -21.967 18.456 12.498 803 HH22 ARG 147 HH22 ARG 147 -23.190 18.000 13.634 804 H ILE 148 HN ILE 148 -16.615 25.140 15.654 805 HA ILE 148 HA ILE 148 -16.346 26.820 13.758 806 HB ILE 148 HB ILE 148 -14.385 25.978 15.046 807 HG12 ILE 148 HG12 ILE 148 -13.774 26.184 12.088 808 HG13 ILE 148 HG11 ILE 148 -14.247 27.576 13.062 809 HG21 ILE 148 HG21 ILE 148 -13.616 23.887 14.728 810 HG22 ILE 148 HG22 ILE 148 -13.384 24.201 13.007 811 HG23 ILE 148 HG23 ILE 148 -14.942 23.615 13.595 812 HD11 ILE 148 HD11 ILE 148 -12.088 27.791 13.662 813 HD12 ILE 148 HD12 ILE 148 -11.670 26.259 12.895 814 HD13 ILE 148 HD13 ILE 148 -12.256 26.281 14.558 815 H SER 149 HN SER 149 -17.957 26.399 12.157 816 HA SER 149 HA SER 149 -18.323 24.379 10.430 817 HB2 SER 149 HB2 SER 149 -19.532 26.497 10.238 818 HB3 SER 149 HB1 SER 149 -18.077 27.277 9.634 819 HG SER 149 HG SER 149 -19.887 25.723 8.338 820 H ALA 150 HN ALA 150 -16.789 23.069 9.631 821 HA ALA 150 HA ALA 150 -14.148 23.785 9.027 822 HB1 ALA 150 HB1 ALA 150 -15.829 21.497 7.976 823 HB2 ALA 150 HB2 ALA 150 -14.771 21.466 9.385 824 HB3 ALA 150 HB3 ALA 150 -14.084 21.631 7.769 825 H ASP 151 HN ASP 151 -17.030 23.631 6.969 826 HA ASP 151 HA ASP 151 -15.835 23.989 4.474 827 HB2 ASP 151 HB2 ASP 151 -18.461 25.132 5.459 828 HB3 ASP 151 HB1 ASP 151 -17.999 24.912 3.774 829 H ALA 152 HN ALA 152 -17.512 26.595 6.207 830 HA ALA 152 HA ALA 152 -16.239 28.665 4.788 831 HB1 ALA 152 HB1 ALA 152 -17.100 29.393 7.480 832 HB2 ALA 152 HB2 ALA 152 -18.326 28.499 6.568 833 HB3 ALA 152 HB3 ALA 152 -17.649 29.995 5.912 834 H MET 153 HN MET 153 -15.434 26.999 7.770 835 HA MET 153 HA MET 153 -13.585 28.710 8.903 836 HB2 MET 153 HB2 MET 153 -14.171 26.689 10.053 837 HB3 MET 153 HB1 MET 153 -13.613 25.687 8.713 838 HG2 MET 153 HG2 MET 153 -11.306 26.834 9.147 839 HG3 MET 153 HG1 MET 153 -11.994 27.230 10.725 840 HE1 MET 153 HE1 MET 153 -9.564 24.459 11.463 841 HE2 MET 153 HE2 MET 153 -9.689 26.095 10.826 842 HE3 MET 153 HE3 MET 153 -9.426 24.751 9.720 843 H MET 154 HN MET 154 -12.996 26.238 6.399 844 HA MET 154 HA MET 154 -10.231 26.941 6.081 845 HB2 MET 154 HB2 MET 154 -12.183 25.145 4.768 846 HB3 MET 154 HB1 MET 154 -10.878 25.736 3.743 847 HG2 MET 154 HG2 MET 154 -9.515 25.094 6.027 848 HG3 MET 154 HG1 MET 154 -10.776 23.857 6.010 849 HE1 MET 154 HE1 MET 154 -8.414 25.881 4.284 850 HE2 MET 154 HE2 MET 154 -7.983 25.117 2.750 851 HE3 MET 154 HE3 MET 154 -7.155 24.644 4.227 852 H GLN 155 HN GLN 155 -13.262 28.071 4.745 853 HA GLN 155 HA GLN 155 -12.332 29.303 2.396 854 HB2 GLN 155 HB2 GLN 155 -14.560 30.119 4.280 855 HB3 GLN 155 HB1 GLN 155 -14.299 30.819 2.684 856 HG2 GLN 155 HG2 GLN 155 -14.515 28.580 1.672 857 HG3 GLN 155 HG1 GLN 155 -14.831 27.905 3.270 858 HE21 GLN 155 HE21 GLN 155 -16.904 27.336 1.802 859 HE22 GLN 155 HE22 GLN 155 -18.188 28.436 1.956 860 H ALA 156 HN ALA 156 -12.585 30.574 5.710 861 HA ALA 156 HA ALA 156 -11.414 33.113 5.022 862 HB1 ALA 156 HB1 ALA 156 -11.208 32.504 7.827 863 HB2 ALA 156 HB2 ALA 156 -12.803 32.036 7.228 864 HB3 ALA 156 HB3 ALA 156 -12.235 33.696 7.023 865 H LEU 157 HN LEU 157 -10.289 30.016 6.141 866 HA LEU 157 HA LEU 157 -7.774 30.734 7.148 867 HB2 LEU 157 HB2 LEU 157 -8.869 28.232 5.930 868 HB3 LEU 157 HB1 LEU 157 -7.167 28.350 6.345 869 HG LEU 157 HG LEU 157 -9.146 27.563 8.073 870 HD11 LEU 157 HD11 LEU 157 -7.094 27.023 8.836 871 HD12 LEU 157 HD12 LEU 157 -7.218 28.533 9.744 872 HD13 LEU 157 HD13 LEU 157 -6.364 28.496 8.204 873 HD21 LEU 157 HD21 LEU 157 -9.545 29.310 9.673 874 HD22 LEU 157 HD22 LEU 157 -9.978 29.962 8.095 875 HD23 LEU 157 HD23 LEU 157 -8.441 30.407 8.846 876 H LEU 158 HN LEU 158 -8.841 30.013 3.858 877 HA LEU 158 HA LEU 158 -6.159 30.365 2.810 878 HB2 LEU 158 HB2 LEU 158 -8.767 30.047 1.327 879 HB3 LEU 158 HB1 LEU 158 -7.147 29.845 0.679 880 HG LEU 158 HG LEU 158 -8.325 28.179 2.891 881 HD11 LEU 158 HD11 LEU 158 -8.587 26.430 1.291 882 HD12 LEU 158 HD12 LEU 158 -7.636 27.298 0.085 883 HD13 LEU 158 HD13 LEU 158 -9.247 27.871 0.515 884 HD21 LEU 158 HD21 LEU 158 -5.883 28.440 3.044 885 HD22 LEU 158 HD22 LEU 158 -5.723 27.948 1.357 886 HD23 LEU 158 HD23 LEU 158 -6.304 26.794 2.563 887 H GLY 159 HN GLY 159 -8.696 32.370 3.726 888 HA2 GLY 159 HA2 GLY 159 -8.974 34.653 3.544 889 HA3 GLY 159 HA1 GLY 159 -7.453 34.716 2.660 890 H ALA 160 HN ALA 160 -10.142 32.684 1.681 891 HA ALA 160 HA ALA 160 -11.627 32.832 -0.088 892 HB1 ALA 160 HB1 ALA 160 -11.566 35.381 0.690 893 HB2 ALA 160 HB2 ALA 160 -12.348 34.891 -0.813 894 HB3 ALA 160 HB3 ALA 160 -10.721 35.569 -0.846 895 H ARG 161 HN ARG 161 -9.045 31.745 -0.350 896 HA ARG 161 HA ARG 161 -7.560 32.666 -2.543 897 HB2 ARG 161 HB2 ARG 161 -7.759 30.205 -0.970 898 HB3 ARG 161 HB1 ARG 161 -7.269 29.928 -2.634 899 HG2 ARG 161 HG2 ARG 161 -5.911 32.240 -1.519 900 HG3 ARG 161 HG1 ARG 161 -5.619 30.797 -0.548 901 HD2 ARG 161 HD2 ARG 161 -4.553 29.686 -2.266 902 HD3 ARG 161 HD1 ARG 161 -5.450 30.539 -3.517 903 HE ARG 161 HE ARG 161 -3.924 32.501 -2.410 904 HH11 ARG 161 HH11 ARG 161 -3.288 29.321 -3.622 905 HH12 ARG 161 HH12 ARG 161 -1.681 29.693 -4.148 906 HH21 ARG 161 HH21 ARG 161 -1.818 32.997 -3.102 907 HH22 ARG 161 HH22 ARG 161 -0.849 31.774 -3.853 908 H ALA 162 HN ALA 162 -9.527 29.705 -2.652 909 HA ALA 162 HA ALA 162 -11.006 30.562 -4.967 910 HB1 ALA 162 HB1 ALA 162 -9.913 29.496 -6.653 911 HB2 ALA 162 HB2 ALA 162 -9.381 28.175 -5.614 912 HB3 ALA 162 HB3 ALA 162 -8.516 29.712 -5.599 913 H LYS 163 HN LYS 163 -12.006 28.387 -5.993 914 HA LYS 163 HA LYS 163 -12.945 26.775 -3.696 915 HB2 LYS 163 HB2 LYS 163 -14.658 27.070 -6.111 916 HB3 LYS 163 HB1 LYS 163 -15.116 26.934 -4.412 917 HG2 LYS 163 HG2 LYS 163 -14.104 29.261 -4.101 918 HG3 LYS 163 HG1 LYS 163 -14.060 29.368 -5.861 919 HD2 LYS 163 HD2 LYS 163 -16.155 30.254 -5.534 920 HD3 LYS 163 HD1 LYS 163 -16.603 28.547 -5.558 921 HE2 LYS 163 HE2 LYS 163 -16.448 28.456 -3.104 922 HE3 LYS 163 HE1 LYS 163 -15.967 30.153 -3.065 923 HZ1 LYS 163 HZ1 LYS 163 -18.283 30.002 -4.585 924 HZ2 LYS 163 HZ2 LYS 163 -18.099 30.686 -3.041 925 HZ3 LYS 163 HZ3 LYS 163 -18.561 29.059 -3.204 926 H GLY 164 HN GLY 164 -14.546 25.367 -5.950 927 HA2 GLY 164 HA2 GLY 164 -12.642 23.225 -6.318 928 HA3 GLY 164 HA1 GLY 164 -14.316 23.247 -6.866 929 H HIS 165 HN HIS 165 -13.433 22.288 -8.844 930 HA HIS 165 HA HIS 165 -11.661 23.781 -10.525 931 HB2 HIS 165 HB2 HIS 165 -13.558 21.520 -11.206 932 HB3 HIS 165 HB1 HIS 165 -12.255 22.117 -12.235 933 HD2 HIS 165 HD2 HIS 165 -12.744 19.603 -9.380 934 HE1 HIS 165 HE1 HIS 165 -8.579 20.208 -9.708 935 HE2 HIS 165 HE2 HIS 165 -10.380 18.768 -8.647 936 H HIS 166 HN HIS 166 -14.977 24.020 -9.791 937 HA HIS 166 HA HIS 166 -15.328 26.199 -11.635 938 HB2 HIS 166 HB2 HIS 166 -16.111 23.567 -12.470 939 HB3 HIS 166 HB1 HIS 166 -17.552 24.561 -12.255 940 HD2 HIS 166 HD2 HIS 166 -14.696 26.836 -13.287 941 HE1 HIS 166 HE1 HIS 166 -16.624 25.754 -16.884 942 HE2 HIS 166 HE2 HIS 166 -14.933 27.332 -15.839 943 H HIS 167 HN HIS 167 -17.940 24.088 -10.642 944 HA HIS 167 HA HIS 167 -18.764 26.118 -8.654 945 HB2 HIS 167 HB2 HIS 167 -20.477 24.346 -10.412 946 HB3 HIS 167 HB1 HIS 167 -21.093 25.420 -9.155 947 HD2 HIS 167 HD2 HIS 167 -19.782 25.634 -12.812 948 HE1 HIS 167 HE1 HIS 167 -20.526 29.581 -11.510 949 HE2 HIS 167 HE2 HIS 167 -19.961 28.140 -13.523 950 H HIS 168 HN HIS 168 -17.164 23.498 -8.483 951 HA HIS 168 HA HIS 168 -17.048 21.635 -7.128 952 HB2 HIS 168 HB2 HIS 168 -16.965 23.550 -5.501 953 HB3 HIS 168 HB1 HIS 168 -18.701 23.344 -5.258 954 HD2 HIS 168 HD2 HIS 168 -16.786 20.004 -5.653 955 HE1 HIS 168 HE1 HIS 168 -17.500 20.537 -1.527 956 HE2 HIS 168 HE2 HIS 168 -16.712 18.891 -3.293 957 H HIS 169 HN HIS 169 -19.587 21.719 -5.092 958 HA HIS 169 HA HIS 169 -21.070 19.752 -6.681 959 HB2 HIS 169 HB2 HIS 169 -22.020 19.024 -4.587 960 HB3 HIS 169 HB1 HIS 169 -20.277 19.187 -4.370 961 HD2 HIS 169 HD2 HIS 169 -23.544 20.653 -2.915 962 HE1 HIS 169 HE1 HIS 169 -20.369 22.940 -1.330 963 HE2 HIS 169 HE2 HIS 169 -22.858 22.463 -1.162 964 H HIS 170 HN HIS 170 -21.204 23.006 -5.872 965 HA HIS 170 HA HIS 170 -24.089 23.092 -6.504 966 HB2 HIS 170 HB2 HIS 170 -24.324 24.988 -4.938 967 HB3 HIS 170 HB1 HIS 170 -23.815 23.517 -4.107 968 HD2 HIS 170 HD2 HIS 170 -22.601 27.132 -4.554 969 HE1 HIS 170 HE1 HIS 170 -19.328 24.968 -2.998 970 HE2 HIS 170 HE2 HIS 170 -20.214 27.293 -3.506 971 H17 V8Y 201 H17 A7 201 -14.455 24.313 20.144 972 H21 V8Y 201 H21 A7 201 -15.310 22.724 19.102 973 H3 V8Y 201 H3 A7 201 -15.610 20.264 18.936 974 H4 V8Y 201 H4 A7 201 -13.845 18.879 17.851 975 H6 V8Y 201 H6 A7 201 -9.580 19.808 15.782 976 H7 V8Y 201 H7 A7 201 -9.308 22.273 15.964 977 H8 V8Y 201 H8 A7 201 -11.076 23.638 17.047 978 H11 V8Y 201 H11 A7 201 -15.829 24.940 17.861 979 H8L V8Y 201 H8L A7 201 -16.020 26.298 18.978 980 H12 V8Y 201 H12 A7 201 -16.426 23.377 19.763 981 H8M V8Y 201 H8M A7 201 -17.738 24.469 19.253 982 H13 V8Y 201 H13 A7 201 -16.808 26.048 21.124 983 H8O V8Y 201 H8O A7 201 -16.026 24.542 21.723 984 H14 V8Y 201 H14 A7 201 -18.944 24.430 21.122 985 H8N V8Y 201 H8N A7 201 -18.401 25.350 22.573 986 H15 V8Y 201 H15 A7 201 -18.255 23.451 23.714 987 H8P V8Y 201 H8P A7 201 -17.010 22.889 22.563 988 H16 V8Y 201 H16 A7 201 -18.508 21.207 22.185 989 H8Q V8Y 201 H8Q A7 201 -19.242 22.414 21.105 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -4.484 7.788 19.521 2 H2 MET 1 HT2 MET 1 -3.459 9.136 19.660 3 H3 MET 1 HT3 MET 1 -3.254 8.037 18.380 4 HA MET 1 HA MET 1 -5.422 10.008 18.783 5 HB2 MET 1 HB2 MET 1 -3.046 9.823 17.183 6 HB3 MET 1 HB1 MET 1 -4.450 9.811 16.116 7 HG2 MET 1 HG2 MET 1 -4.767 11.752 18.259 8 HG3 MET 1 HG1 MET 1 -3.307 12.062 17.321 9 HE1 MET 1 HE1 MET 1 -4.113 14.016 14.821 10 HE2 MET 1 HE2 MET 1 -3.850 12.450 14.059 11 HE3 MET 1 HE3 MET 1 -2.994 12.854 15.545 12 H ASP 2 HN ASP 2 -6.667 9.901 16.441 13 HA ASP 2 HA ASP 2 -7.963 7.277 16.492 14 HB2 ASP 2 HB2 ASP 2 -8.710 9.981 15.410 15 HB3 ASP 2 HB1 ASP 2 -9.547 8.537 14.846 16 H ASP 3 HN ASP 3 -7.213 5.755 15.159 17 HA ASP 3 HA ASP 3 -5.515 6.240 12.947 18 HB2 ASP 3 HB2 ASP 3 -7.178 3.882 13.711 19 HB3 ASP 3 HB1 ASP 3 -6.059 3.865 12.366 20 H ILE 4 HN ILE 4 -9.016 5.729 13.204 21 HA ILE 4 HA ILE 4 -9.618 5.457 10.502 22 HB ILE 4 HB ILE 4 -11.262 5.187 12.327 23 HG12 ILE 4 HG12 ILE 4 -11.747 5.968 9.821 24 HG13 ILE 4 HG11 ILE 4 -13.053 5.786 10.998 25 HG21 ILE 4 HG21 ILE 4 -10.505 7.091 13.697 26 HG22 ILE 4 HG22 ILE 4 -12.241 7.166 13.397 27 HG23 ILE 4 HG23 ILE 4 -11.144 8.207 12.492 28 HD11 ILE 4 HD11 ILE 4 -12.999 8.167 11.490 29 HD12 ILE 4 HD12 ILE 4 -13.153 7.953 9.745 30 HD13 ILE 4 HD13 ILE 4 -11.595 8.384 10.448 31 H TYR 5 HN TYR 5 -9.280 8.412 12.446 32 HA TYR 5 HA TYR 5 -9.723 10.153 10.227 33 HB2 TYR 5 HB2 TYR 5 -8.446 10.666 12.909 34 HB3 TYR 5 HB1 TYR 5 -8.882 11.916 11.759 35 HD1 TYR 5 HD1 TYR 5 -10.025 11.825 14.535 36 HD2 TYR 5 HD2 TYR 5 -11.386 10.027 10.884 37 HE1 TYR 5 HE1 TYR 5 -12.340 11.824 15.388 38 HE2 TYR 5 HE2 TYR 5 -13.710 10.025 11.756 39 HH TYR 5 HH TYR 5 -14.996 10.344 13.570 40 H LYS 6 HN LYS 6 -6.981 8.594 11.689 41 HA LYS 6 HA LYS 6 -4.916 10.096 10.572 42 HB2 LYS 6 HB2 LYS 6 -4.829 8.119 12.289 43 HB3 LYS 6 HB1 LYS 6 -4.761 7.074 10.868 44 HG2 LYS 6 HG2 LYS 6 -2.476 7.515 11.419 45 HG3 LYS 6 HG1 LYS 6 -2.828 8.588 10.064 46 HD2 LYS 6 HD2 LYS 6 -3.467 9.756 12.688 47 HD3 LYS 6 HD1 LYS 6 -1.754 9.397 12.472 48 HE2 LYS 6 HE2 LYS 6 -1.530 10.872 10.682 49 HE3 LYS 6 HE1 LYS 6 -3.240 10.784 10.256 50 HZ1 LYS 6 HZ1 LYS 6 -2.185 12.051 12.727 51 HZ2 LYS 6 HZ2 LYS 6 -3.795 12.060 12.184 52 HZ3 LYS 6 HZ3 LYS 6 -2.601 12.898 11.316 53 H ALA 7 HN ALA 7 -6.712 7.333 9.330 54 HA ALA 7 HA ALA 7 -5.362 7.133 6.852 55 HB1 ALA 7 HB1 ALA 7 -8.027 6.168 7.885 56 HB2 ALA 7 HB2 ALA 7 -6.610 5.230 7.402 57 HB3 ALA 7 HB3 ALA 7 -7.610 6.002 6.171 58 H ALA 8 HN ALA 8 -8.081 8.996 8.033 59 HA ALA 8 HA ALA 8 -9.105 9.965 5.620 60 HB1 ALA 8 HB1 ALA 8 -9.381 12.129 7.284 61 HB2 ALA 8 HB2 ALA 8 -9.130 10.838 8.467 62 HB3 ALA 8 HB3 ALA 8 -10.458 10.734 7.303 63 H VAL 9 HN VAL 9 -6.388 11.079 7.591 64 HA VAL 9 HA VAL 9 -5.810 13.415 6.129 65 HB VAL 9 HB VAL 9 -4.017 11.581 7.746 66 HG11 VAL 9 HG11 VAL 9 -2.632 13.813 7.814 67 HG12 VAL 9 HG12 VAL 9 -3.475 14.163 6.305 68 HG13 VAL 9 HG13 VAL 9 -2.463 12.723 6.436 69 HG21 VAL 9 HG21 VAL 9 -4.199 13.635 9.312 70 HG22 VAL 9 HG22 VAL 9 -5.591 12.556 9.201 71 HG23 VAL 9 HG23 VAL 9 -5.589 14.084 8.328 72 H GLU 10 HN GLU 10 -4.603 10.094 5.892 73 HA GLU 10 HA GLU 10 -2.908 10.590 3.647 74 HB2 GLU 10 HB2 GLU 10 -4.028 8.045 4.837 75 HB3 GLU 10 HB1 GLU 10 -2.932 8.066 3.443 76 HG2 GLU 10 HG2 GLU 10 -1.257 9.268 4.756 77 HG3 GLU 10 HG1 GLU 10 -2.350 9.302 6.137 78 H GLN 11 HN GLN 11 -6.264 9.956 4.043 79 HA GLN 11 HA GLN 11 -6.828 8.981 1.426 80 HB2 GLN 11 HB2 GLN 11 -8.496 10.137 3.632 81 HB3 GLN 11 HB1 GLN 11 -9.205 9.764 2.079 82 HG2 GLN 11 HG2 GLN 11 -7.666 7.801 3.792 83 HG3 GLN 11 HG1 GLN 11 -9.422 7.877 3.678 84 HE21 GLN 11 HE21 GLN 11 -10.259 7.721 1.273 85 HE22 GLN 11 HE22 GLN 11 -9.453 6.604 0.280 86 H LEU 12 HN LEU 12 -6.727 12.183 2.901 87 HA LEU 12 HA LEU 12 -7.939 13.622 0.815 88 HB2 LEU 12 HB2 LEU 12 -5.711 14.565 2.634 89 HB3 LEU 12 HB1 LEU 12 -6.829 15.589 1.733 90 HG LEU 12 HG LEU 12 -7.455 13.728 4.029 91 HD11 LEU 12 HD11 LEU 12 -6.652 16.186 4.285 92 HD12 LEU 12 HD12 LEU 12 -8.048 15.635 5.212 93 HD13 LEU 12 HD13 LEU 12 -8.283 16.591 3.751 94 HD21 LEU 12 HD21 LEU 12 -9.192 13.349 2.402 95 HD22 LEU 12 HD22 LEU 12 -9.307 15.072 2.038 96 HD23 LEU 12 HD23 LEU 12 -9.856 14.458 3.603 97 H THR 13 HN THR 13 -7.350 13.499 -1.253 98 HA THR 13 HA THR 13 -4.892 12.684 -2.268 99 HB THR 13 HB THR 13 -6.873 12.784 -3.677 100 HG1 THR 13 HG1 THR 13 -5.673 14.592 -5.156 101 HG21 THR 13 HG21 THR 13 -7.679 14.941 -2.519 102 HG22 THR 13 HG22 THR 13 -7.986 14.785 -4.246 103 HG23 THR 13 HG23 THR 13 -6.651 15.787 -3.679 104 H GLU 14 HN GLU 14 -3.612 14.263 -3.824 105 HA GLU 14 HA GLU 14 -2.061 15.932 -2.208 106 HB2 GLU 14 HB2 GLU 14 -1.079 16.749 -4.290 107 HB3 GLU 14 HB1 GLU 14 -1.320 15.003 -4.378 108 HG2 GLU 14 HG2 GLU 14 -3.451 15.375 -5.595 109 HG3 GLU 14 HG1 GLU 14 -3.161 17.113 -5.547 110 H GLU 15 HN GLU 15 -4.852 16.671 -4.256 111 HA GLU 15 HA GLU 15 -4.629 19.516 -3.912 112 HB2 GLU 15 HB2 GLU 15 -5.776 18.339 -5.834 113 HB3 GLU 15 HB1 GLU 15 -7.083 17.960 -4.707 114 HG2 GLU 15 HG2 GLU 15 -7.443 20.324 -4.259 115 HG3 GLU 15 HG1 GLU 15 -6.070 20.754 -5.277 116 H GLN 16 HN GLN 16 -6.744 17.000 -2.517 117 HA GLN 16 HA GLN 16 -8.307 18.680 -0.909 118 HB2 GLN 16 HB2 GLN 16 -7.623 15.784 -0.916 119 HB3 GLN 16 HB1 GLN 16 -8.327 16.441 0.556 120 HG2 GLN 16 HG2 GLN 16 -10.314 17.061 -0.514 121 HG3 GLN 16 HG1 GLN 16 -9.569 17.054 -2.106 122 HE21 GLN 16 HE21 GLN 16 -10.114 14.680 0.573 123 HE22 GLN 16 HE22 GLN 16 -10.569 13.412 -0.460 124 H LYS 17 HN LYS 17 -5.349 16.868 -0.129 125 HA LYS 17 HA LYS 17 -5.171 17.780 2.548 126 HB2 LYS 17 HB2 LYS 17 -3.910 15.842 1.234 127 HB3 LYS 17 HB1 LYS 17 -2.702 17.108 1.013 128 HG2 LYS 17 HG2 LYS 17 -2.791 17.519 3.502 129 HG3 LYS 17 HG1 LYS 17 -3.809 16.083 3.645 130 HD2 LYS 17 HD2 LYS 17 -1.004 16.161 2.485 131 HD3 LYS 17 HD1 LYS 17 -1.453 15.514 4.066 132 HE2 LYS 17 HE2 LYS 17 -2.917 13.850 2.960 133 HE3 LYS 17 HE1 LYS 17 -2.429 14.479 1.387 134 HZ1 LYS 17 HZ1 LYS 17 -0.061 14.038 2.544 135 HZ2 LYS 17 HZ2 LYS 17 -0.854 12.919 1.539 136 HZ3 LYS 17 HZ3 LYS 17 -0.979 12.787 3.229 137 H ASN 18 HN ASN 18 -4.076 19.054 -0.539 138 HA ASN 18 HA ASN 18 -2.276 21.002 0.403 139 HB2 ASN 18 HB2 ASN 18 -2.667 20.297 -2.025 140 HB3 ASN 18 HB1 ASN 18 -4.104 21.307 -1.995 141 HD21 ASN 18 HD21 ASN 18 -3.242 22.859 -3.525 142 HD22 ASN 18 HD22 ASN 18 -1.978 23.912 -3.105 143 H GLU 19 HN GLU 19 -5.790 21.123 -0.150 144 HA GLU 19 HA GLU 19 -6.146 23.853 0.461 145 HB2 GLU 19 HB2 GLU 19 -7.786 21.640 -0.201 146 HB3 GLU 19 HB1 GLU 19 -8.417 22.292 1.308 147 HG2 GLU 19 HG2 GLU 19 -8.709 24.460 0.357 148 HG3 GLU 19 HG1 GLU 19 -7.744 24.047 -1.059 149 H PHE 20 HN PHE 20 -6.524 20.950 2.483 150 HA PHE 20 HA PHE 20 -7.046 22.375 4.871 151 HB2 PHE 20 HB2 PHE 20 -5.950 19.573 4.466 152 HB3 PHE 20 HB1 PHE 20 -6.531 20.211 6.000 153 HD1 PHE 20 HD1 PHE 20 -7.468 18.371 3.151 154 HD2 PHE 20 HD2 PHE 20 -8.945 21.355 5.869 155 HE1 PHE 20 HE1 PHE 20 -9.796 17.789 2.528 156 HE2 PHE 20 HE2 PHE 20 -11.272 20.769 5.246 157 HZ PHE 20 HZ PHE 20 -11.698 18.987 3.575 158 H LYS 21 HN LYS 21 -4.099 21.201 3.356 159 HA LYS 21 HA LYS 21 -2.320 21.587 5.471 160 HB2 LYS 21 HB2 LYS 21 -1.803 20.447 3.290 161 HB3 LYS 21 HB1 LYS 21 -1.736 22.038 2.532 162 HG2 LYS 21 HG2 LYS 21 0.521 21.266 3.170 163 HG3 LYS 21 HG1 LYS 21 0.065 22.702 4.089 164 HD2 LYS 21 HD2 LYS 21 -0.344 21.474 6.052 165 HD3 LYS 21 HD1 LYS 21 -0.513 19.956 5.161 166 HE2 LYS 21 HE2 LYS 21 1.654 20.086 6.390 167 HE3 LYS 21 HE1 LYS 21 1.880 19.949 4.647 168 HZ1 LYS 21 HZ1 LYS 21 2.440 22.179 6.419 169 HZ2 LYS 21 HZ2 LYS 21 1.760 22.587 4.916 170 HZ3 LYS 21 HZ3 LYS 21 3.214 21.709 4.986 171 H ALA 22 HN ALA 22 -3.533 23.819 3.010 172 HA ALA 22 HA ALA 22 -1.912 26.026 3.658 173 HB1 ALA 22 HB1 ALA 22 -3.953 27.324 2.717 174 HB2 ALA 22 HB2 ALA 22 -4.636 25.724 2.408 175 HB3 ALA 22 HB3 ALA 22 -3.120 26.203 1.642 176 H ALA 23 HN ALA 23 -5.052 24.923 4.883 177 HA ALA 23 HA ALA 23 -5.605 27.105 6.579 178 HB1 ALA 23 HB1 ALA 23 -6.732 25.057 7.941 179 HB2 ALA 23 HB2 ALA 23 -6.514 24.291 6.367 180 HB3 ALA 23 HB3 ALA 23 -7.456 25.776 6.506 181 H PHE 24 HN PHE 24 -3.700 24.177 7.070 182 HA PHE 24 HA PHE 24 -3.246 24.393 9.810 183 HB2 PHE 24 HB2 PHE 24 -2.538 22.399 8.775 184 HB3 PHE 24 HB1 PHE 24 -1.585 23.267 7.575 185 HD1 PHE 24 HD1 PHE 24 -1.787 22.615 11.281 186 HD2 PHE 24 HD2 PHE 24 0.675 23.736 7.938 187 HE1 PHE 24 HE1 PHE 24 0.222 22.516 12.720 188 HE2 PHE 24 HE2 PHE 24 2.683 23.629 9.387 189 HZ PHE 24 HZ PHE 24 2.456 23.020 11.778 190 H ASP 25 HN ASP 25 -1.351 25.702 7.090 191 HA ASP 25 HA ASP 25 0.630 26.987 8.627 192 HB2 ASP 25 HB2 ASP 25 0.798 26.564 6.183 193 HB3 ASP 25 HB1 ASP 25 -0.427 27.800 5.915 194 H ILE 26 HN ILE 26 -2.506 28.095 7.411 195 HA ILE 26 HA ILE 26 -2.297 30.794 8.164 196 HB ILE 26 HB ILE 26 -4.604 28.917 7.757 197 HG12 ILE 26 HG12 ILE 26 -4.901 31.170 6.197 198 HG13 ILE 26 HG11 ILE 26 -3.152 30.978 6.256 199 HG21 ILE 26 HG21 ILE 26 -5.705 31.464 7.936 200 HG22 ILE 26 HG22 ILE 26 -4.618 31.380 9.321 201 HG23 ILE 26 HG23 ILE 26 -5.885 30.170 9.120 202 HD11 ILE 26 HD11 ILE 26 -4.848 29.615 4.554 203 HD12 ILE 26 HD12 ILE 26 -4.581 28.450 5.848 204 HD13 ILE 26 HD13 ILE 26 -3.209 29.118 4.967 205 H PHE 27 HN PHE 27 -3.526 27.977 9.960 206 HA PHE 27 HA PHE 27 -4.307 29.389 12.258 207 HB2 PHE 27 HB2 PHE 27 -3.634 26.549 11.663 208 HB3 PHE 27 HB1 PHE 27 -3.730 27.053 13.348 209 HD1 PHE 27 HD1 PHE 27 -5.607 26.996 10.166 210 HD2 PHE 27 HD2 PHE 27 -5.774 27.448 14.399 211 HE1 PHE 27 HE1 PHE 27 -8.073 26.849 10.072 212 HE2 PHE 27 HE2 PHE 27 -8.247 27.341 14.333 213 HZ PHE 27 HZ PHE 27 -9.403 27.037 12.159 214 H VAL 28 HN VAL 28 -1.232 27.942 11.310 215 HA VAL 28 HA VAL 28 0.045 29.066 13.720 216 HB VAL 28 HB VAL 28 1.993 27.617 13.003 217 HG11 VAL 28 HG11 VAL 28 0.051 27.063 14.649 218 HG12 VAL 28 HG12 VAL 28 1.109 25.763 14.103 219 HG13 VAL 28 HG13 VAL 28 -0.477 25.970 13.372 220 HG21 VAL 28 HG21 VAL 28 1.852 26.257 11.177 221 HG22 VAL 28 HG22 VAL 28 0.672 27.454 10.636 222 HG23 VAL 28 HG23 VAL 28 0.126 25.964 11.410 223 H LEU 29 HN LEU 29 -0.777 30.506 11.195 224 HA LEU 29 HA LEU 29 1.366 31.128 9.548 225 HB2 LEU 29 HB2 LEU 29 -1.171 31.991 9.674 226 HB3 LEU 29 HB1 LEU 29 -0.382 33.377 10.419 227 HG LEU 29 HG LEU 29 1.136 32.551 8.124 228 HD11 LEU 29 HD11 LEU 29 -0.624 31.705 6.902 229 HD12 LEU 29 HD12 LEU 29 -0.905 33.417 6.590 230 HD13 LEU 29 HD13 LEU 29 -1.836 32.583 7.835 231 HD21 LEU 29 HD21 LEU 29 0.837 34.870 7.516 232 HD22 LEU 29 HD22 LEU 29 0.993 34.804 9.271 233 HD23 LEU 29 HD23 LEU 29 -0.596 35.002 8.536 234 H GLY 30 HN GLY 30 3.365 31.519 10.308 235 HA2 GLY 30 HA2 GLY 30 5.014 33.008 11.085 236 HA3 GLY 30 HA1 GLY 30 3.774 33.887 11.973 237 H ALA 31 HN ALA 31 3.392 30.605 12.463 238 HA ALA 31 HA ALA 31 4.069 30.731 15.210 239 HB1 ALA 31 HB1 ALA 31 3.827 28.157 13.661 240 HB2 ALA 31 HB2 ALA 31 2.408 29.142 14.018 241 HB3 ALA 31 HB3 ALA 31 3.376 28.478 15.334 242 H GLU 32 HN GLU 32 5.893 30.204 16.290 243 HA GLU 32 HA GLU 32 8.360 30.088 14.911 244 HB2 GLU 32 HB2 GLU 32 7.628 29.494 17.777 245 HB3 GLU 32 HB1 GLU 32 9.287 29.506 17.177 246 HG2 GLU 32 HG2 GLU 32 9.049 31.830 16.465 247 HG3 GLU 32 HG1 GLU 32 7.357 31.833 16.959 248 H ASP 33 HN ASP 33 6.379 27.583 16.462 249 HA ASP 33 HA ASP 33 8.281 25.518 15.592 250 HB2 ASP 33 HB2 ASP 33 6.940 24.011 16.988 251 HB3 ASP 33 HB1 ASP 33 7.446 25.429 17.904 252 H GLY 34 HN GLY 34 5.275 26.930 14.720 253 HA2 GLY 34 HA2 GLY 34 4.124 26.608 12.705 254 HA3 GLY 34 HA1 GLY 34 5.037 25.129 12.441 255 H SER 35 HN SER 35 4.177 24.737 15.499 256 HA SER 35 HA SER 35 1.963 22.987 14.838 257 HB2 SER 35 HB2 SER 35 2.158 22.181 17.066 258 HB3 SER 35 HB1 SER 35 3.797 22.465 16.517 259 HG SER 35 HG SER 35 3.680 23.442 18.468 260 H ILE 36 HN ILE 36 -0.186 23.339 15.259 261 HA ILE 36 HA ILE 36 -1.028 26.036 15.764 262 HB ILE 36 HB ILE 36 -2.536 23.432 15.552 263 HG12 ILE 36 HG12 ILE 36 -2.384 25.750 13.617 264 HG13 ILE 36 HG11 ILE 36 -1.360 24.318 13.511 265 HG21 ILE 36 HG21 ILE 36 -4.105 24.630 16.709 266 HG22 ILE 36 HG22 ILE 36 -4.435 25.242 15.084 267 HG23 ILE 36 HG23 ILE 36 -3.443 26.188 16.197 268 HD11 ILE 36 HD11 ILE 36 -3.976 24.629 12.478 269 HD12 ILE 36 HD12 ILE 36 -4.113 23.514 13.839 270 HD13 ILE 36 HD13 ILE 36 -3.006 23.155 12.511 271 H SER 37 HN SER 37 -0.690 26.834 17.753 272 HA SER 37 HA SER 37 -1.393 25.212 20.098 273 HB2 SER 37 HB2 SER 37 -0.149 26.840 21.393 274 HB3 SER 37 HB1 SER 37 0.840 26.349 20.021 275 HG SER 37 HG SER 37 -0.842 28.635 20.081 276 H THR 38 HN THR 38 -2.654 26.265 21.813 277 HA THR 38 HA THR 38 -5.119 27.104 21.055 278 HB THR 38 HB THR 38 -5.060 28.421 23.321 279 HG1 THR 38 HG1 THR 38 -2.591 27.050 23.218 280 HG21 THR 38 HG21 THR 38 -6.120 26.525 23.875 281 HG22 THR 38 HG22 THR 38 -4.557 25.749 24.147 282 HG23 THR 38 HG23 THR 38 -5.320 25.666 22.548 283 H LYS 39 HN LYS 39 -2.214 29.062 21.248 284 HA LYS 39 HA LYS 39 -3.589 31.556 20.866 285 HB2 LYS 39 HB2 LYS 39 -0.668 30.862 20.445 286 HB3 LYS 39 HB1 LYS 39 -1.342 32.491 20.545 287 HG2 LYS 39 HG2 LYS 39 -1.365 30.391 22.735 288 HG3 LYS 39 HG1 LYS 39 -0.431 31.887 22.721 289 HD2 LYS 39 HD2 LYS 39 -2.522 33.199 22.683 290 HD3 LYS 39 HD1 LYS 39 -3.457 31.703 22.706 291 HE2 LYS 39 HE2 LYS 39 -2.388 31.100 24.869 292 HE3 LYS 39 HE1 LYS 39 -1.548 32.651 24.859 293 HZ1 LYS 39 HZ1 LYS 39 -4.022 32.182 25.889 294 HZ2 LYS 39 HZ2 LYS 39 -4.360 32.911 24.392 295 HZ3 LYS 39 HZ3 LYS 39 -3.373 33.707 25.524 296 H GLU 40 HN GLU 40 -1.814 29.293 18.805 297 HA GLU 40 HA GLU 40 -2.180 30.836 16.412 298 HB2 GLU 40 HB2 GLU 40 -1.346 27.969 16.840 299 HB3 GLU 40 HB1 GLU 40 -1.374 28.757 15.273 300 HG2 GLU 40 HG2 GLU 40 0.392 29.310 17.628 301 HG3 GLU 40 HG1 GLU 40 0.839 29.094 15.944 302 H LEU 41 HN LEU 41 -4.040 28.553 18.189 303 HA LEU 41 HA LEU 41 -5.735 27.790 15.975 304 HB2 LEU 41 HB2 LEU 41 -5.163 26.324 17.992 305 HB3 LEU 41 HB1 LEU 41 -6.322 27.307 18.889 306 HG LEU 41 HG LEU 41 -7.295 26.372 16.263 307 HD11 LEU 41 HD11 LEU 41 -6.094 24.507 18.177 308 HD12 LEU 41 HD12 LEU 41 -6.614 24.228 16.515 309 HD13 LEU 41 HD13 LEU 41 -7.783 24.139 17.831 310 HD21 LEU 41 HD21 LEU 41 -8.999 25.566 18.326 311 HD22 LEU 41 HD22 LEU 41 -9.130 27.057 17.392 312 HD23 LEU 41 HD23 LEU 41 -8.265 27.053 18.930 313 H GLY 42 HN GLY 42 -6.127 29.693 18.962 314 HA2 GLY 42 HA2 GLY 42 -8.773 30.481 18.434 315 HA3 GLY 42 HA1 GLY 42 -7.690 31.309 19.521 316 H LYS 43 HN LYS 43 -5.662 31.926 17.480 317 HA LYS 43 HA LYS 43 -6.413 34.421 16.591 318 HB2 LYS 43 HB2 LYS 43 -4.689 33.994 14.716 319 HB3 LYS 43 HB1 LYS 43 -4.130 33.844 16.381 320 HG2 LYS 43 HG2 LYS 43 -3.582 31.726 16.049 321 HG3 LYS 43 HG1 LYS 43 -5.210 31.334 15.544 322 HD2 LYS 43 HD2 LYS 43 -3.921 30.799 13.643 323 HD3 LYS 43 HD1 LYS 43 -4.522 32.414 13.277 324 HE2 LYS 43 HE2 LYS 43 -2.420 33.403 14.093 325 HE3 LYS 43 HE1 LYS 43 -1.810 31.797 14.499 326 HZ1 LYS 43 HZ1 LYS 43 -1.147 32.816 12.267 327 HZ2 LYS 43 HZ2 LYS 43 -2.724 32.429 11.765 328 HZ3 LYS 43 HZ3 LYS 43 -1.669 31.202 12.282 329 H VAL 44 HN VAL 44 -6.420 31.489 14.537 330 HA VAL 44 HA VAL 44 -7.892 32.630 12.406 331 HB VAL 44 HB VAL 44 -7.246 29.795 13.249 332 HG11 VAL 44 HG11 VAL 44 -9.118 30.749 11.104 333 HG12 VAL 44 HG12 VAL 44 -9.427 29.566 12.379 334 HG13 VAL 44 HG13 VAL 44 -8.327 29.171 11.053 335 HG21 VAL 44 HG21 VAL 44 -5.843 29.826 11.358 336 HG22 VAL 44 HG22 VAL 44 -5.664 31.456 12.009 337 HG23 VAL 44 HG23 VAL 44 -6.714 31.168 10.619 338 H MET 45 HN MET 45 -8.814 31.016 15.384 339 HA MET 45 HA MET 45 -11.508 30.515 14.799 340 HB2 MET 45 HB2 MET 45 -10.084 31.193 17.370 341 HB3 MET 45 HB1 MET 45 -11.779 30.757 17.329 342 HG2 MET 45 HG2 MET 45 -9.591 29.014 16.183 343 HG3 MET 45 HG1 MET 45 -10.215 28.836 17.825 344 HE1 MET 45 HE1 MET 45 -12.860 29.389 17.986 345 HE2 MET 45 HE2 MET 45 -12.552 27.710 18.415 346 HE3 MET 45 HE3 MET 45 -13.916 28.109 17.364 347 H ARG 46 HN ARG 46 -9.909 33.415 16.084 348 HA ARG 46 HA ARG 46 -12.284 34.969 16.387 349 HB2 ARG 46 HB2 ARG 46 -9.363 35.722 16.157 350 HB3 ARG 46 HB1 ARG 46 -10.648 36.901 16.439 351 HG2 ARG 46 HG2 ARG 46 -11.002 36.205 18.589 352 HG3 ARG 46 HG1 ARG 46 -10.679 34.513 18.204 353 HD2 ARG 46 HD2 ARG 46 -8.260 35.122 17.953 354 HD3 ARG 46 HD1 ARG 46 -8.653 36.718 18.578 355 HE ARG 46 HE ARG 46 -9.570 35.313 20.579 356 HH11 ARG 46 HH11 ARG 46 -6.798 34.609 18.602 357 HH12 ARG 46 HH12 ARG 46 -5.967 33.744 19.848 358 HH21 ARG 46 HH21 ARG 46 -8.466 34.172 22.206 359 HH22 ARG 46 HH22 ARG 46 -6.903 33.501 21.880 360 H MET 47 HN MET 47 -10.071 34.327 13.786 361 HA MET 47 HA MET 47 -10.801 36.397 12.041 362 HB2 MET 47 HB2 MET 47 -9.805 33.601 11.456 363 HB3 MET 47 HB1 MET 47 -9.952 34.864 10.249 364 HG2 MET 47 HG2 MET 47 -8.564 36.245 12.065 365 HG3 MET 47 HG1 MET 47 -8.027 34.618 12.491 366 HE1 MET 47 HE1 MET 47 -8.210 33.015 10.525 367 HE2 MET 47 HE2 MET 47 -6.495 32.982 10.122 368 HE3 MET 47 HE3 MET 47 -7.681 33.331 8.867 369 H LEU 48 HN LEU 48 -12.209 33.238 12.667 370 HA LEU 48 HA LEU 48 -14.225 33.571 10.588 371 HB2 LEU 48 HB2 LEU 48 -13.952 31.368 12.634 372 HB3 LEU 48 HB1 LEU 48 -14.913 31.344 11.153 373 HG LEU 48 HG LEU 48 -11.901 31.628 11.267 374 HD11 LEU 48 HD11 LEU 48 -12.105 29.341 10.132 375 HD12 LEU 48 HD12 LEU 48 -13.757 29.328 10.751 376 HD13 LEU 48 HD13 LEU 48 -12.398 29.416 11.873 377 HD21 LEU 48 HD21 LEU 48 -13.613 31.042 8.846 378 HD22 LEU 48 HD22 LEU 48 -11.935 31.581 8.896 379 HD23 LEU 48 HD23 LEU 48 -13.231 32.697 9.318 380 H GLY 49 HN GLY 49 -13.851 34.860 13.545 381 HA2 GLY 49 HA2 GLY 49 -15.549 36.178 14.587 382 HA3 GLY 49 HA1 GLY 49 -16.755 35.041 13.993 383 H GLN 50 HN GLN 50 -14.345 33.120 15.008 384 HA GLN 50 HA GLN 50 -15.715 32.475 17.490 385 HB2 GLN 50 HB2 GLN 50 -13.221 31.218 16.379 386 HB3 GLN 50 HB1 GLN 50 -14.350 30.536 17.540 387 HG2 GLN 50 HG2 GLN 50 -15.014 31.234 14.652 388 HG3 GLN 50 HG1 GLN 50 -14.725 29.602 15.262 389 HE21 GLN 50 HE21 GLN 50 -16.531 28.503 16.112 390 HE22 GLN 50 HE22 GLN 50 -18.020 29.238 16.459 391 H ASN 51 HN ASN 51 -15.067 33.057 19.483 392 HA ASN 51 HA ASN 51 -12.286 33.996 19.780 393 HB2 ASN 51 HB2 ASN 51 -13.839 35.923 19.715 394 HB3 ASN 51 HB1 ASN 51 -14.756 35.206 21.036 395 HD21 ASN 51 HD21 ASN 51 -14.243 37.147 22.376 396 HD22 ASN 51 HD22 ASN 51 -12.704 37.307 23.075 397 HA PRO 52 HA PRO 52 -13.549 30.845 22.994 398 HB2 PRO 52 HB2 PRO 52 -11.765 28.915 22.298 399 HB3 PRO 52 HB1 PRO 52 -13.366 29.043 21.569 400 HG2 PRO 52 HG2 PRO 52 -10.726 29.897 20.509 401 HG3 PRO 52 HG1 PRO 52 -12.091 29.149 19.670 402 HD2 PRO 52 HD2 PRO 52 -11.540 31.829 19.568 403 HD3 PRO 52 HD1 PRO 52 -13.153 31.161 19.351 404 H THR 53 HN THR 53 -12.502 30.629 24.960 405 HA THR 53 HA THR 53 -10.164 32.237 25.413 406 HB THR 53 HB THR 53 -10.397 31.522 27.743 407 HG1 THR 53 HG1 THR 53 -12.444 30.124 27.949 408 HG21 THR 53 HG21 THR 53 -11.818 33.319 27.163 409 HG22 THR 53 HG22 THR 53 -12.865 32.177 28.008 410 HG23 THR 53 HG23 THR 53 -12.905 32.275 26.247 411 HA PRO 54 HA PRO 54 -6.870 29.417 24.930 412 HB2 PRO 54 HB2 PRO 54 -5.939 30.208 27.647 413 HB3 PRO 54 HB1 PRO 54 -5.099 30.313 26.089 414 HG2 PRO 54 HG2 PRO 54 -6.047 32.473 27.245 415 HG3 PRO 54 HG1 PRO 54 -6.154 32.273 25.495 416 HD2 PRO 54 HD2 PRO 54 -8.300 31.943 27.572 417 HD3 PRO 54 HD1 PRO 54 -8.405 32.662 25.948 418 H GLU 55 HN GLU 55 -8.349 29.401 28.168 419 HA GLU 55 HA GLU 55 -7.450 26.848 28.965 420 HB2 GLU 55 HB2 GLU 55 -9.856 28.484 29.788 421 HB3 GLU 55 HB1 GLU 55 -9.417 26.957 30.554 422 HG2 GLU 55 HG2 GLU 55 -8.289 28.446 31.923 423 HG3 GLU 55 HG1 GLU 55 -7.039 28.099 30.736 424 H GLU 56 HN GLU 56 -10.340 27.921 27.223 425 HA GLU 56 HA GLU 56 -11.466 25.267 27.083 426 HB2 GLU 56 HB2 GLU 56 -12.485 27.815 26.800 427 HB3 GLU 56 HB1 GLU 56 -12.446 27.234 25.135 428 HG2 GLU 56 HG2 GLU 56 -14.557 26.536 25.988 429 HG3 GLU 56 HG1 GLU 56 -13.543 25.094 26.020 430 H LEU 57 HN LEU 57 -9.610 27.411 25.007 431 HA LEU 57 HA LEU 57 -9.727 25.926 22.626 432 HB2 LEU 57 HB2 LEU 57 -7.803 27.943 23.680 433 HB3 LEU 57 HB1 LEU 57 -7.461 27.099 22.188 434 HG LEU 57 HG LEU 57 -10.069 28.515 22.745 435 HD11 LEU 57 HD11 LEU 57 -8.692 30.329 22.567 436 HD12 LEU 57 HD12 LEU 57 -8.939 29.985 20.848 437 HD13 LEU 57 HD13 LEU 57 -7.472 29.428 21.667 438 HD21 LEU 57 HD21 LEU 57 -9.175 26.718 20.723 439 HD22 LEU 57 HD22 LEU 57 -9.331 28.326 19.999 440 HD23 LEU 57 HD23 LEU 57 -10.716 27.573 20.809 441 H GLN 58 HN GLN 58 -7.680 25.688 25.463 442 HA GLN 58 HA GLN 58 -5.722 23.956 24.466 443 HB2 GLN 58 HB2 GLN 58 -5.584 25.088 26.666 444 HB3 GLN 58 HB1 GLN 58 -6.877 24.049 27.266 445 HG2 GLN 58 HG2 GLN 58 -4.767 22.491 26.011 446 HG3 GLN 58 HG1 GLN 58 -4.136 23.488 27.319 447 HE21 GLN 58 HE21 GLN 58 -6.522 23.479 28.982 448 HE22 GLN 58 HE22 GLN 58 -6.726 21.899 29.568 449 H GLU 59 HN GLU 59 -8.910 23.279 25.881 450 HA GLU 59 HA GLU 59 -8.670 20.462 25.936 451 HB2 GLU 59 HB2 GLU 59 -11.102 22.258 25.682 452 HB3 GLU 59 HB1 GLU 59 -11.184 20.522 25.985 453 HG2 GLU 59 HG2 GLU 59 -9.723 22.515 27.744 454 HG3 GLU 59 HG1 GLU 59 -11.327 21.865 28.082 455 H MET 60 HN MET 60 -9.855 22.734 23.516 456 HA MET 60 HA MET 60 -10.748 20.802 21.640 457 HB2 MET 60 HB2 MET 60 -9.708 23.292 20.468 458 HB3 MET 60 HB1 MET 60 -11.313 22.580 20.363 459 HG2 MET 60 HG2 MET 60 -10.242 24.146 22.725 460 HG3 MET 60 HG1 MET 60 -11.400 24.736 21.537 461 HE1 MET 60 HE1 MET 60 -13.501 25.189 22.561 462 HE2 MET 60 HE2 MET 60 -12.513 25.272 24.017 463 HE3 MET 60 HE3 MET 60 -14.069 24.442 24.063 464 H ILE 61 HN ILE 61 -7.673 22.461 22.112 465 HA ILE 61 HA ILE 61 -6.328 21.540 19.812 466 HB ILE 61 HB ILE 61 -5.320 22.298 22.548 467 HG12 ILE 61 HG12 ILE 61 -5.842 23.692 19.941 468 HG13 ILE 61 HG11 ILE 61 -6.161 24.241 21.569 469 HG21 ILE 61 HG21 ILE 61 -3.776 21.813 19.986 470 HG22 ILE 61 HG22 ILE 61 -3.803 20.720 21.376 471 HG23 ILE 61 HG23 ILE 61 -3.105 22.337 21.529 472 HD11 ILE 61 HD11 ILE 61 -3.853 24.743 21.937 473 HD12 ILE 61 HD12 ILE 61 -4.299 25.419 20.369 474 HD13 ILE 61 HD13 ILE 61 -3.381 23.923 20.446 475 H ASP 62 HN ASP 62 -6.476 20.245 23.124 476 HA ASP 62 HA ASP 62 -4.789 18.039 22.752 477 HB2 ASP 62 HB2 ASP 62 -5.487 18.864 24.953 478 HB3 ASP 62 HB1 ASP 62 -7.121 18.295 24.634 479 H GLU 63 HN GLU 63 -8.140 18.548 21.955 480 HA GLU 63 HA GLU 63 -9.074 15.936 21.697 481 HB2 GLU 63 HB2 GLU 63 -10.428 18.012 21.379 482 HB3 GLU 63 HB1 GLU 63 -9.654 18.238 19.820 483 HG2 GLU 63 HG2 GLU 63 -11.741 17.124 19.416 484 HG3 GLU 63 HG1 GLU 63 -10.463 15.930 19.189 485 H VAL 64 HN VAL 64 -7.092 17.863 19.478 486 HA VAL 64 HA VAL 64 -6.830 15.490 17.733 487 HB VAL 64 HB VAL 64 -5.882 17.312 16.114 488 HG11 VAL 64 HG11 VAL 64 -8.462 17.984 15.773 489 HG12 VAL 64 HG12 VAL 64 -8.688 16.669 16.921 490 HG13 VAL 64 HG13 VAL 64 -7.872 16.366 15.379 491 HG21 VAL 64 HG21 VAL 64 -7.757 19.155 17.488 492 HG22 VAL 64 HG22 VAL 64 -6.265 19.512 16.619 493 HG23 VAL 64 HG23 VAL 64 -6.198 18.923 18.282 494 H ASP 65 HN ASP 65 -5.271 16.973 20.200 495 HA ASP 65 HA ASP 65 -2.587 16.899 19.096 496 HB2 ASP 65 HB2 ASP 65 -3.321 18.580 20.821 497 HB3 ASP 65 HB1 ASP 65 -3.421 17.252 21.973 498 H GLU 66 HN GLU 66 -1.727 14.937 18.733 499 HA GLU 66 HA GLU 66 -2.535 12.557 20.023 500 HB2 GLU 66 HB2 GLU 66 -1.294 12.880 17.785 501 HB3 GLU 66 HB1 GLU 66 0.159 12.921 18.777 502 HG2 GLU 66 HG2 GLU 66 -0.473 10.733 19.766 503 HG3 GLU 66 HG1 GLU 66 -1.878 10.691 18.703 504 H ASP 67 HN ASP 67 0.383 14.572 20.468 505 HA ASP 67 HA ASP 67 1.147 13.005 22.811 506 HB2 ASP 67 HB2 ASP 67 3.146 14.434 22.821 507 HB3 ASP 67 HB1 ASP 67 2.882 13.726 21.228 508 H GLY 68 HN GLY 68 -0.886 15.572 22.180 509 HA2 GLY 68 HA2 GLY 68 -2.006 17.034 23.558 510 HA3 GLY 68 HA1 GLY 68 -1.360 16.123 24.920 511 H SER 69 HN SER 69 0.756 17.547 22.550 512 HA SER 69 HA SER 69 2.205 19.014 24.512 513 HB2 SER 69 HB2 SER 69 3.130 20.091 22.257 514 HB3 SER 69 HB1 SER 69 3.584 18.463 22.763 515 HG SER 69 HG SER 69 2.821 18.014 20.837 516 H GLY 70 HN GLY 70 -0.770 19.613 23.424 517 HA2 GLY 70 HA2 GLY 70 -2.117 21.477 23.649 518 HA3 GLY 70 HA1 GLY 70 -0.709 22.374 24.215 519 H THR 71 HN THR 71 -0.263 20.705 21.282 520 HA THR 71 HA THR 71 -0.988 23.037 19.649 521 HB THR 71 HB THR 71 1.296 22.677 18.494 522 HG1 THR 71 HG1 THR 71 2.357 22.013 20.904 523 HG21 THR 71 HG21 THR 71 1.578 24.689 19.429 524 HG22 THR 71 HG22 THR 71 2.163 23.893 20.891 525 HG23 THR 71 HG23 THR 71 0.450 24.280 20.720 526 H VAL 72 HN VAL 72 -1.946 22.452 17.831 527 HA VAL 72 HA VAL 72 -1.881 19.639 17.017 528 HB VAL 72 HB VAL 72 -4.123 19.992 16.935 529 HG11 VAL 72 HG11 VAL 72 -4.991 22.455 16.630 530 HG12 VAL 72 HG12 VAL 72 -3.334 22.898 17.014 531 HG13 VAL 72 HG13 VAL 72 -4.280 21.978 18.172 532 HG21 VAL 72 HG21 VAL 72 -4.908 20.611 14.815 533 HG22 VAL 72 HG22 VAL 72 -3.239 20.134 14.493 534 HG23 VAL 72 HG23 VAL 72 -3.665 21.840 14.601 535 H ASP 73 HN ASP 73 -0.188 19.291 15.694 536 HA ASP 73 HA ASP 73 0.756 21.263 13.831 537 HB2 ASP 73 HB2 ASP 73 1.344 18.320 14.025 538 HB3 ASP 73 HB1 ASP 73 2.259 19.482 13.073 539 H PHE 74 HN PHE 74 1.268 19.790 11.552 540 HA PHE 74 HA PHE 74 -1.044 20.184 10.045 541 HB2 PHE 74 HB2 PHE 74 1.055 20.126 8.918 542 HB3 PHE 74 HB1 PHE 74 1.402 18.501 9.511 543 HD1 PHE 74 HD1 PHE 74 -1.932 19.622 8.304 544 HD2 PHE 74 HD2 PHE 74 1.638 17.407 7.379 545 HE1 PHE 74 HE1 PHE 74 -3.055 18.646 6.309 546 HE2 PHE 74 HE2 PHE 74 0.517 16.436 5.393 547 HZ PHE 74 HZ PHE 74 -1.823 17.057 4.859 548 H ASP 75 HN ASP 75 0.321 17.141 11.300 549 HA ASP 75 HA ASP 75 -1.701 15.456 10.263 550 HB2 ASP 75 HB2 ASP 75 -0.188 14.933 12.801 551 HB3 ASP 75 HB1 ASP 75 -0.785 13.772 11.618 552 H GLU 76 HN GLU 76 -1.292 16.909 13.500 553 HA GLU 76 HA GLU 76 -3.639 15.827 14.643 554 HB2 GLU 76 HB2 GLU 76 -2.036 18.328 15.262 555 HB3 GLU 76 HB1 GLU 76 -3.380 17.772 16.261 556 HG2 GLU 76 HG2 GLU 76 -2.259 15.701 16.755 557 HG3 GLU 76 HG1 GLU 76 -1.007 16.030 15.561 558 H PHE 77 HN PHE 77 -3.045 18.872 12.903 559 HA PHE 77 HA PHE 77 -5.667 19.904 13.265 560 HB2 PHE 77 HB2 PHE 77 -4.677 21.723 12.374 561 HB3 PHE 77 HB1 PHE 77 -3.235 20.765 12.053 562 HD1 PHE 77 HD1 PHE 77 -6.531 21.755 10.675 563 HD2 PHE 77 HD2 PHE 77 -2.678 20.085 9.851 564 HE1 PHE 77 HE1 PHE 77 -7.003 21.853 8.255 565 HE2 PHE 77 HE2 PHE 77 -3.155 20.187 7.424 566 HZ PHE 77 HZ PHE 77 -5.317 21.065 6.637 567 H LEU 78 HN LEU 78 -4.122 17.977 10.745 568 HA LEU 78 HA LEU 78 -6.175 17.998 8.858 569 HB2 LEU 78 HB2 LEU 78 -3.723 16.863 8.990 570 HB3 LEU 78 HB1 LEU 78 -4.717 15.444 9.275 571 HG LEU 78 HG LEU 78 -4.333 15.688 6.874 572 HD11 LEU 78 HD11 LEU 78 -6.802 15.463 8.062 573 HD12 LEU 78 HD12 LEU 78 -6.444 15.182 6.354 574 HD13 LEU 78 HD13 LEU 78 -7.027 16.761 6.885 575 HD21 LEU 78 HD21 LEU 78 -4.401 17.654 5.799 576 HD22 LEU 78 HD22 LEU 78 -4.357 18.383 7.412 577 HD23 LEU 78 HD23 LEU 78 -5.899 18.131 6.593 578 H VAL 79 HN VAL 79 -5.685 15.992 11.727 579 HA VAL 79 HA VAL 79 -7.865 14.249 11.357 580 HB VAL 79 HB VAL 79 -6.434 15.193 13.823 581 HG11 VAL 79 HG11 VAL 79 -8.656 14.655 14.553 582 HG12 VAL 79 HG12 VAL 79 -7.654 13.248 14.914 583 HG13 VAL 79 HG13 VAL 79 -8.718 13.236 13.507 584 HG21 VAL 79 HG21 VAL 79 -6.147 12.461 13.534 585 HG22 VAL 79 HG22 VAL 79 -4.969 13.661 12.992 586 HG23 VAL 79 HG23 VAL 79 -6.165 13.018 11.860 587 H MET 80 HN MET 80 -7.580 17.392 12.948 588 HA MET 80 HA MET 80 -10.118 17.585 14.048 589 HB2 MET 80 HB2 MET 80 -8.635 19.326 14.540 590 HB3 MET 80 HB1 MET 80 -8.277 19.628 12.849 591 HG2 MET 80 HG2 MET 80 -10.871 20.176 12.724 592 HG3 MET 80 HG1 MET 80 -10.684 20.437 14.450 593 HE1 MET 80 HE1 MET 80 -7.113 21.888 13.700 594 HE2 MET 80 HE2 MET 80 -8.096 21.028 14.875 595 HE3 MET 80 HE3 MET 80 -8.003 22.784 14.940 596 H MET 81 HN MET 81 -9.068 18.329 10.735 597 HA MET 81 HA MET 81 -11.515 19.289 9.750 598 HB2 MET 81 HB2 MET 81 -9.205 17.902 8.433 599 HB3 MET 81 HB1 MET 81 -10.576 18.520 7.525 600 HG2 MET 81 HG2 MET 81 -8.971 20.213 9.411 601 HG3 MET 81 HG1 MET 81 -8.599 20.080 7.699 602 HE1 MET 81 HE1 MET 81 -12.002 21.772 9.984 603 HE2 MET 81 HE2 MET 81 -10.608 22.842 9.865 604 HE3 MET 81 HE3 MET 81 -10.397 21.195 10.453 605 H VAL 82 HN VAL 82 -10.167 16.017 9.745 606 HA VAL 82 HA VAL 82 -12.489 14.873 8.510 607 HB VAL 82 HB VAL 82 -10.824 13.419 8.057 608 HG11 VAL 82 HG11 VAL 82 -8.859 13.115 9.576 609 HG12 VAL 82 HG12 VAL 82 -9.586 14.291 10.662 610 HG13 VAL 82 HG13 VAL 82 -9.100 14.777 9.043 611 HG21 VAL 82 HG21 VAL 82 -10.787 11.506 9.509 612 HG22 VAL 82 HG22 VAL 82 -12.410 12.193 9.618 613 HG23 VAL 82 HG23 VAL 82 -11.240 12.486 10.912 614 H ARG 83 HN ARG 83 -11.488 15.537 11.766 615 HA ARG 83 HA ARG 83 -13.104 13.710 13.142 616 HB2 ARG 83 HB2 ARG 83 -11.973 16.393 13.836 617 HB3 ARG 83 HB1 ARG 83 -13.053 15.576 14.953 618 HG2 ARG 83 HG2 ARG 83 -11.555 13.584 14.871 619 HG3 ARG 83 HG1 ARG 83 -10.443 14.494 13.860 620 HD2 ARG 83 HD2 ARG 83 -10.102 16.131 15.619 621 HD3 ARG 83 HD1 ARG 83 -11.353 15.383 16.609 622 HE ARG 83 HE ARG 83 -8.628 14.443 16.264 623 HH11 ARG 83 HH11 ARG 83 -11.899 13.699 17.125 624 HH12 ARG 83 HH12 ARG 83 -11.478 12.332 18.101 625 HH21 ARG 83 HH21 ARG 83 -8.071 12.642 17.540 626 HH22 ARG 83 HH22 ARG 83 -9.313 11.734 18.337 627 H SER 84 HN SER 84 -13.804 17.007 12.023 628 HA SER 84 HA SER 84 -16.585 16.709 12.886 629 HB2 SER 84 HB2 SER 84 -16.819 19.046 12.384 630 HB3 SER 84 HB1 SER 84 -15.304 18.840 13.262 631 HG SER 84 HG SER 84 -14.215 19.335 11.511 632 H MET 85 HN MET 85 -14.641 16.324 10.101 633 HA MET 85 HA MET 85 -16.521 16.912 8.061 634 HB2 MET 85 HB2 MET 85 -13.893 15.736 8.277 635 HB3 MET 85 HB1 MET 85 -14.879 14.913 7.077 636 HG2 MET 85 HG2 MET 85 -14.798 16.670 5.663 637 HG3 MET 85 HG1 MET 85 -15.175 17.790 6.957 638 HE1 MET 85 HE1 MET 85 -11.559 15.880 5.529 639 HE2 MET 85 HE2 MET 85 -12.770 15.164 6.589 640 HE3 MET 85 HE3 MET 85 -11.283 15.818 7.276 641 H LYS 86 HN LYS 86 -15.649 13.874 9.691 642 HA LYS 86 HA LYS 86 -17.356 12.198 8.210 643 HB2 LYS 86 HB2 LYS 86 -15.558 11.354 9.670 644 HB3 LYS 86 HB1 LYS 86 -16.450 11.913 11.085 645 HG2 LYS 86 HG2 LYS 86 -17.993 10.226 10.953 646 HG3 LYS 86 HG1 LYS 86 -17.941 10.175 9.191 647 HD2 LYS 86 HD2 LYS 86 -16.096 8.775 9.144 648 HD3 LYS 86 HD1 LYS 86 -15.505 9.324 10.713 649 HE2 LYS 86 HE2 LYS 86 -17.203 8.075 11.874 650 HE3 LYS 86 HE1 LYS 86 -18.041 7.704 10.368 651 HZ1 LYS 86 HZ1 LYS 86 -15.332 6.776 11.154 652 HZ2 LYS 86 HZ2 LYS 86 -16.059 6.479 9.647 653 HZ3 LYS 86 HZ3 LYS 86 -16.734 5.825 11.063 654 H ASP 87 HN ASP 87 -17.873 14.018 11.210 655 HA ASP 87 HA ASP 87 -20.735 13.316 11.089 656 HB2 ASP 87 HB2 ASP 87 -20.865 13.981 13.410 657 HB3 ASP 87 HB1 ASP 87 -19.519 12.858 13.221 658 H ASP 88 HN ASP 88 -19.092 15.441 9.567 659 HA ASP 88 HA ASP 88 -19.812 18.008 10.443 660 HB2 ASP 88 HB2 ASP 88 -18.164 17.600 8.657 661 HB3 ASP 88 HB1 ASP 88 -19.451 17.021 7.603 662 H SER 89 HN SER 89 -21.480 15.783 8.230 663 HA SER 89 HA SER 89 -23.599 15.881 7.307 664 HB2 SER 89 HB2 SER 89 -24.148 16.709 10.163 665 HB3 SER 89 HB1 SER 89 -25.374 16.174 9.017 666 HG SER 89 HG SER 89 -23.130 14.564 9.322 667 H LYS 90 HN LYS 90 -21.981 18.392 7.212 668 HA LYS 90 HA LYS 90 -22.566 20.787 7.458 669 HB2 LYS 90 HB2 LYS 90 -23.289 21.105 4.931 670 HB3 LYS 90 HB1 LYS 90 -21.668 20.556 5.349 671 HG2 LYS 90 HG2 LYS 90 -22.393 18.216 5.101 672 HG3 LYS 90 HG1 LYS 90 -24.006 18.765 4.649 673 HD2 LYS 90 HD2 LYS 90 -21.736 19.926 3.125 674 HD3 LYS 90 HD1 LYS 90 -22.093 18.224 2.832 675 HE2 LYS 90 HE2 LYS 90 -24.499 18.866 2.464 676 HE3 LYS 90 HE1 LYS 90 -24.007 20.557 2.565 677 HZ1 LYS 90 HZ1 LYS 90 -24.093 19.248 0.285 678 HZ2 LYS 90 HZ2 LYS 90 -22.510 18.840 0.745 679 HZ3 LYS 90 HZ3 LYS 90 -22.955 20.471 0.580 680 H GLY 136 HN GLY 136 -24.868 20.560 5.014 681 HA2 GLY 136 HA2 GLY 136 -27.186 20.710 4.974 682 HA3 GLY 136 HA1 GLY 136 -27.206 20.435 6.713 683 H LYS 137 HN LYS 137 -28.914 22.270 5.890 684 HA LYS 137 HA LYS 137 -28.316 24.569 7.321 685 HB2 LYS 137 HB2 LYS 137 -26.843 24.605 4.988 686 HB3 LYS 137 HB1 LYS 137 -28.264 25.561 4.566 687 HG2 LYS 137 HG2 LYS 137 -27.720 27.243 6.006 688 HG3 LYS 137 HG1 LYS 137 -27.122 26.128 7.236 689 HD2 LYS 137 HD2 LYS 137 -25.403 25.991 4.937 690 HD3 LYS 137 HD1 LYS 137 -25.593 27.679 5.413 691 HE2 LYS 137 HE2 LYS 137 -24.413 27.385 7.323 692 HE3 LYS 137 HE1 LYS 137 -25.238 25.872 7.697 693 HZ1 LYS 137 HZ1 LYS 137 -22.804 25.685 7.210 694 HZ2 LYS 137 HZ2 LYS 137 -23.157 26.098 5.599 695 HZ3 LYS 137 HZ3 LYS 137 -23.803 24.680 6.278 696 H PHE 138 HN PHE 138 -29.715 24.190 4.064 697 HA PHE 138 HA PHE 138 -32.360 24.824 5.223 698 HB2 PHE 138 HB2 PHE 138 -30.938 25.988 2.886 699 HB3 PHE 138 HB1 PHE 138 -32.673 25.715 2.717 700 HD1 PHE 138 HD1 PHE 138 -30.133 27.854 4.093 701 HD2 PHE 138 HD2 PHE 138 -34.212 26.599 4.579 702 HE1 PHE 138 HE1 PHE 138 -30.598 29.881 5.446 703 HE2 PHE 138 HE2 PHE 138 -34.677 28.624 5.931 704 HZ PHE 138 HZ PHE 138 -32.871 30.266 6.365 705 H LYS 139 HN LYS 139 -30.455 22.698 3.364 706 HA LYS 139 HA LYS 139 -32.821 21.437 2.159 707 HB2 LYS 139 HB2 LYS 139 -31.103 20.094 0.891 708 HB3 LYS 139 HB1 LYS 139 -31.125 21.825 0.540 709 HG2 LYS 139 HG2 LYS 139 -29.283 22.198 2.069 710 HG3 LYS 139 HG1 LYS 139 -29.295 20.500 2.540 711 HD2 LYS 139 HD2 LYS 139 -28.871 21.404 -0.319 712 HD3 LYS 139 HD1 LYS 139 -27.538 21.117 0.801 713 HE2 LYS 139 HE2 LYS 139 -29.663 19.046 0.217 714 HE3 LYS 139 HE1 LYS 139 -28.150 19.140 -0.682 715 HZ1 LYS 139 HZ1 LYS 139 -27.137 19.142 1.698 716 HZ2 LYS 139 HZ2 LYS 139 -27.612 17.680 0.973 717 HZ3 LYS 139 HZ3 LYS 139 -28.612 18.425 2.126 718 H ARG 140 HN ARG 140 -30.596 21.112 4.707 719 HA ARG 140 HA ARG 140 -31.413 18.302 5.131 720 HB2 ARG 140 HB2 ARG 140 -28.838 19.710 5.510 721 HB3 ARG 140 HB1 ARG 140 -29.260 18.512 6.714 722 HG2 ARG 140 HG2 ARG 140 -29.915 17.265 4.324 723 HG3 ARG 140 HG1 ARG 140 -28.434 18.139 3.932 724 HD2 ARG 140 HD2 ARG 140 -27.162 16.783 5.226 725 HD3 ARG 140 HD1 ARG 140 -28.322 16.825 6.550 726 HE ARG 140 HE ARG 140 -29.369 15.222 4.475 727 HH11 ARG 140 HH11 ARG 140 -26.829 15.299 6.826 728 HH12 ARG 140 HH12 ARG 140 -26.740 13.576 6.988 729 HH21 ARG 140 HH21 ARG 140 -29.261 12.964 4.687 730 HH22 ARG 140 HH22 ARG 140 -28.118 12.255 5.778 731 HA PRO 141 HA PRO 141 -33.190 19.083 9.046 732 HB2 PRO 141 HB2 PRO 141 -31.099 17.545 10.489 733 HB3 PRO 141 HB1 PRO 141 -32.843 17.255 10.382 734 HG2 PRO 141 HG2 PRO 141 -31.126 15.706 9.092 735 HG3 PRO 141 HG1 PRO 141 -32.680 16.158 8.367 736 HD2 PRO 141 HD2 PRO 141 -29.949 17.270 7.817 737 HD3 PRO 141 HD1 PRO 141 -31.251 16.887 6.671 738 H THR 142 HN THR 142 -33.120 20.434 10.863 739 HA THR 142 HA THR 142 -31.057 22.401 10.881 740 HB THR 142 HB THR 142 -33.350 23.003 11.447 741 HG1 THR 142 HG1 THR 142 -32.065 24.381 12.458 742 HG21 THR 142 HG21 THR 142 -34.538 21.591 12.703 743 HG22 THR 142 HG22 THR 142 -33.523 22.000 14.087 744 HG23 THR 142 HG23 THR 142 -33.085 20.654 13.036 745 H LEU 143 HN LEU 143 -31.560 22.271 14.026 746 HA LEU 143 HA LEU 143 -30.531 21.283 15.861 747 HB2 LEU 143 HB2 LEU 143 -28.941 19.603 13.921 748 HB3 LEU 143 HB1 LEU 143 -29.158 19.341 15.650 749 HG LEU 143 HG LEU 143 -31.382 19.292 13.590 750 HD11 LEU 143 HD11 LEU 143 -31.383 16.824 14.534 751 HD12 LEU 143 HD12 LEU 143 -29.697 17.192 14.900 752 HD13 LEU 143 HD13 LEU 143 -30.278 17.280 13.238 753 HD21 LEU 143 HD21 LEU 143 -32.406 19.956 15.595 754 HD22 LEU 143 HD22 LEU 143 -31.272 19.042 16.588 755 HD23 LEU 143 HD23 LEU 143 -32.529 18.199 15.681 756 H ARG 144 HN ARG 144 -28.188 21.116 16.721 757 HA ARG 144 HA ARG 144 -26.833 23.552 15.907 758 HB2 ARG 144 HB2 ARG 144 -26.584 21.613 18.182 759 HB3 ARG 144 HB1 ARG 144 -25.253 22.714 17.829 760 HG2 ARG 144 HG2 ARG 144 -28.048 23.794 18.012 761 HG3 ARG 144 HG1 ARG 144 -27.137 23.473 19.488 762 HD2 ARG 144 HD2 ARG 144 -26.384 25.604 19.138 763 HD3 ARG 144 HD1 ARG 144 -25.246 24.780 18.075 764 HE ARG 144 HE ARG 144 -27.714 25.526 16.769 765 HH11 ARG 144 HH11 ARG 144 -24.544 26.504 17.752 766 HH12 ARG 144 HH12 ARG 144 -24.397 27.731 16.540 767 HH21 ARG 144 HH21 ARG 144 -27.531 27.137 15.179 768 HH22 ARG 144 HH22 ARG 144 -26.088 28.091 15.083 769 H ARG 145 HN ARG 145 -24.629 21.318 17.115 770 HA ARG 145 HA ARG 145 -22.722 20.415 16.216 771 HB2 ARG 145 HB2 ARG 145 -24.304 19.612 13.801 772 HB3 ARG 145 HB1 ARG 145 -23.106 18.689 14.711 773 HG2 ARG 145 HG2 ARG 145 -25.897 19.408 15.657 774 HG3 ARG 145 HG1 ARG 145 -25.351 17.809 15.154 775 HD2 ARG 145 HD2 ARG 145 -24.385 17.400 17.153 776 HD3 ARG 145 HD1 ARG 145 -23.622 18.988 17.195 777 HE ARG 145 HE ARG 145 -25.345 19.686 18.569 778 HH11 ARG 145 HH11 ARG 145 -26.311 16.916 16.734 779 HH12 ARG 145 HH12 ARG 145 -27.848 16.762 17.517 780 HH21 ARG 145 HH21 ARG 145 -27.359 19.491 19.600 781 HH22 ARG 145 HH22 ARG 145 -28.441 18.219 19.140 782 H VAL 146 HN VAL 146 -23.007 23.153 15.699 783 HA VAL 146 HA VAL 146 -22.373 23.582 12.889 784 HB VAL 146 HB VAL 146 -22.326 25.567 15.168 785 HG11 VAL 146 HG11 VAL 146 -22.241 25.726 12.165 786 HG12 VAL 146 HG12 VAL 146 -21.245 26.571 13.350 787 HG13 VAL 146 HG13 VAL 146 -22.921 27.059 13.098 788 HG21 VAL 146 HG21 VAL 146 -24.509 24.183 14.626 789 HG22 VAL 146 HG22 VAL 146 -24.605 25.273 13.239 790 HG23 VAL 146 HG23 VAL 146 -24.605 25.928 14.877 791 H ARG 147 HN ARG 147 -20.773 23.968 16.039 792 HA ARG 147 HA ARG 147 -18.550 24.341 16.575 793 HB2 ARG 147 HB2 ARG 147 -18.666 22.010 14.702 794 HB3 ARG 147 HB1 ARG 147 -17.089 22.607 15.222 795 HG2 ARG 147 HG2 ARG 147 -17.698 20.957 16.830 796 HG3 ARG 147 HG1 ARG 147 -18.013 22.507 17.612 797 HD2 ARG 147 HD2 ARG 147 -20.379 22.360 17.043 798 HD3 ARG 147 HD1 ARG 147 -20.096 20.876 16.138 799 HE ARG 147 HE ARG 147 -20.261 21.138 19.026 800 HH11 ARG 147 HH11 ARG 147 -19.173 19.279 16.315 801 HH12 ARG 147 HH12 ARG 147 -19.116 17.784 17.188 802 HH21 ARG 147 HH21 ARG 147 -20.187 19.183 20.176 803 HH22 ARG 147 HH22 ARG 147 -19.690 17.729 19.374 804 H ILE 148 HN ILE 148 -16.213 24.108 15.084 805 HA ILE 148 HA ILE 148 -16.173 26.617 13.719 806 HB ILE 148 HB ILE 148 -14.245 25.594 14.986 807 HG12 ILE 148 HG12 ILE 148 -13.532 26.205 12.111 808 HG13 ILE 148 HG11 ILE 148 -14.109 27.455 13.214 809 HG21 ILE 148 HG21 ILE 148 -14.754 23.433 13.290 810 HG22 ILE 148 HG22 ILE 148 -13.355 23.620 14.348 811 HG23 ILE 148 HG23 ILE 148 -13.264 24.138 12.662 812 HD11 ILE 148 HD11 ILE 148 -12.184 26.164 14.717 813 HD12 ILE 148 HD12 ILE 148 -11.944 27.672 13.835 814 HD13 ILE 148 HD13 ILE 148 -11.492 26.135 13.094 815 H SER 149 HN SER 149 -17.910 26.101 12.151 816 HA SER 149 HA SER 149 -18.095 24.242 10.231 817 HB2 SER 149 HB2 SER 149 -18.831 26.992 10.425 818 HB3 SER 149 HB1 SER 149 -18.203 26.706 8.803 819 HG SER 149 HG SER 149 -20.231 25.247 10.158 820 H ALA 150 HN ALA 150 -16.452 23.191 9.288 821 HA ALA 150 HA ALA 150 -13.917 24.243 8.694 822 HB1 ALA 150 HB1 ALA 150 -14.122 21.878 8.806 823 HB2 ALA 150 HB2 ALA 150 -13.788 22.236 7.111 824 HB3 ALA 150 HB3 ALA 150 -15.433 21.860 7.625 825 H ASP 151 HN ASP 151 -16.852 23.977 6.745 826 HA ASP 151 HA ASP 151 -16.001 24.553 4.218 827 HB2 ASP 151 HB2 ASP 151 -18.257 26.267 4.915 828 HB3 ASP 151 HB1 ASP 151 -18.189 24.894 3.810 829 H ALA 152 HN ALA 152 -17.420 27.277 5.940 830 HA ALA 152 HA ALA 152 -15.901 29.213 4.581 831 HB1 ALA 152 HB1 ALA 152 -17.121 30.726 5.737 832 HB2 ALA 152 HB2 ALA 152 -16.931 29.873 7.272 833 HB3 ALA 152 HB3 ALA 152 -18.108 29.303 6.081 834 H MET 153 HN MET 153 -15.360 27.528 7.618 835 HA MET 153 HA MET 153 -13.472 29.107 8.827 836 HB2 MET 153 HB2 MET 153 -14.184 27.089 9.916 837 HB3 MET 153 HB1 MET 153 -13.632 26.093 8.570 838 HG2 MET 153 HG2 MET 153 -11.282 27.101 9.113 839 HG3 MET 153 HG1 MET 153 -12.002 27.502 10.675 840 HE1 MET 153 HE1 MET 153 -9.821 24.925 11.694 841 HE2 MET 153 HE2 MET 153 -9.728 26.271 10.551 842 HE3 MET 153 HE3 MET 153 -9.508 24.626 9.971 843 H MET 154 HN MET 154 -12.882 26.651 6.312 844 HA MET 154 HA MET 154 -10.100 27.370 6.106 845 HB2 MET 154 HB2 MET 154 -11.927 25.565 4.556 846 HB3 MET 154 HB1 MET 154 -10.303 25.937 3.980 847 HG2 MET 154 HG2 MET 154 -9.817 25.348 6.608 848 HG3 MET 154 HG1 MET 154 -11.149 24.249 6.243 849 HE1 MET 154 HE1 MET 154 -7.065 24.779 4.632 850 HE2 MET 154 HE2 MET 154 -8.327 25.988 4.868 851 HE3 MET 154 HE3 MET 154 -8.163 25.185 3.305 852 H GLN 155 HN GLN 155 -13.085 28.346 4.610 853 HA GLN 155 HA GLN 155 -12.096 29.437 2.217 854 HB2 GLN 155 HB2 GLN 155 -14.458 30.236 3.932 855 HB3 GLN 155 HB1 GLN 155 -14.128 30.928 2.344 856 HG2 GLN 155 HG2 GLN 155 -14.147 28.625 1.394 857 HG3 GLN 155 HG1 GLN 155 -14.637 28.023 2.976 858 HE21 GLN 155 HE21 GLN 155 -16.793 27.407 2.586 859 HE22 GLN 155 HE22 GLN 155 -17.986 28.467 2.008 860 H ALA 156 HN ALA 156 -12.459 30.855 5.452 861 HA ALA 156 HA ALA 156 -11.615 33.465 4.760 862 HB1 ALA 156 HB1 ALA 156 -10.837 32.842 7.441 863 HB2 ALA 156 HB2 ALA 156 -12.389 32.064 7.119 864 HB3 ALA 156 HB3 ALA 156 -12.208 33.808 6.894 865 H LEU 157 HN LEU 157 -9.864 30.647 5.999 866 HA LEU 157 HA LEU 157 -7.334 31.863 6.262 867 HB2 LEU 157 HB2 LEU 157 -7.414 29.017 5.465 868 HB3 LEU 157 HB1 LEU 157 -6.572 29.788 6.805 869 HG LEU 157 HG LEU 157 -9.522 29.135 6.646 870 HD11 LEU 157 HD11 LEU 157 -7.237 27.735 7.610 871 HD12 LEU 157 HD12 LEU 157 -8.936 27.251 7.685 872 HD13 LEU 157 HD13 LEU 157 -8.228 28.204 8.990 873 HD21 LEU 157 HD21 LEU 157 -9.936 30.433 8.464 874 HD22 LEU 157 HD22 LEU 157 -8.550 31.346 7.870 875 HD23 LEU 157 HD23 LEU 157 -8.336 30.162 9.164 876 H LEU 158 HN LEU 158 -8.832 30.113 3.576 877 HA LEU 158 HA LEU 158 -6.514 30.481 1.885 878 HB2 LEU 158 HB2 LEU 158 -9.282 29.448 1.244 879 HB3 LEU 158 HB1 LEU 158 -7.889 29.375 0.171 880 HG LEU 158 HG LEU 158 -8.053 28.094 2.900 881 HD11 LEU 158 HD11 LEU 158 -7.643 26.257 0.728 882 HD12 LEU 158 HD12 LEU 158 -9.069 27.238 0.384 883 HD13 LEU 158 HD13 LEU 158 -8.976 26.309 1.881 884 HD21 LEU 158 HD21 LEU 158 -5.916 27.067 2.298 885 HD22 LEU 158 HD22 LEU 158 -5.771 28.820 2.212 886 HD23 LEU 158 HD23 LEU 158 -5.944 27.876 0.732 887 H GLY 159 HN GLY 159 -9.230 32.335 2.777 888 HA2 GLY 159 HA2 GLY 159 -10.069 34.334 1.999 889 HA3 GLY 159 HA1 GLY 159 -8.509 34.545 1.206 890 H ALA 160 HN ALA 160 -10.646 31.842 0.543 891 HA ALA 160 HA ALA 160 -11.964 31.325 -1.291 892 HB1 ALA 160 HB1 ALA 160 -12.684 33.759 -1.147 893 HB2 ALA 160 HB2 ALA 160 -12.751 33.041 -2.757 894 HB3 ALA 160 HB3 ALA 160 -11.418 34.112 -2.324 895 H ARG 161 HN ARG 161 -8.760 32.258 -1.283 896 HA ARG 161 HA ARG 161 -7.072 32.238 -2.920 897 HB2 ARG 161 HB2 ARG 161 -6.795 29.826 -3.670 898 HB3 ARG 161 HB1 ARG 161 -6.903 30.077 -1.927 899 HG2 ARG 161 HG2 ARG 161 -9.334 29.553 -2.025 900 HG3 ARG 161 HG1 ARG 161 -9.172 29.220 -3.750 901 HD2 ARG 161 HD2 ARG 161 -7.533 27.807 -1.641 902 HD3 ARG 161 HD1 ARG 161 -9.072 27.187 -2.229 903 HE ARG 161 HE ARG 161 -6.554 27.258 -3.696 904 HH11 ARG 161 HH11 ARG 161 -10.000 26.922 -3.749 905 HH12 ARG 161 HH12 ARG 161 -10.033 26.084 -5.264 906 HH21 ARG 161 HH21 ARG 161 -6.593 26.160 -5.690 907 HH22 ARG 161 HH22 ARG 161 -8.106 25.653 -6.363 908 H ALA 162 HN ALA 162 -9.478 33.318 -4.063 909 HA ALA 162 HA ALA 162 -10.490 33.715 -6.088 910 HB1 ALA 162 HB1 ALA 162 -8.713 33.047 -8.038 911 HB2 ALA 162 HB2 ALA 162 -7.640 33.179 -6.644 912 HB3 ALA 162 HB3 ALA 162 -8.647 34.548 -7.114 913 H LYS 163 HN LYS 163 -12.097 32.563 -6.961 914 HA LYS 163 HA LYS 163 -12.224 29.759 -6.899 915 HB2 LYS 163 HB2 LYS 163 -13.748 31.768 -8.571 916 HB3 LYS 163 HB1 LYS 163 -14.165 30.057 -8.464 917 HG2 LYS 163 HG2 LYS 163 -14.490 30.250 -6.050 918 HG3 LYS 163 HG1 LYS 163 -13.975 31.937 -6.092 919 HD2 LYS 163 HD2 LYS 163 -16.410 31.854 -6.050 920 HD3 LYS 163 HD1 LYS 163 -15.882 32.435 -7.630 921 HE2 LYS 163 HE2 LYS 163 -17.644 30.744 -7.895 922 HE3 LYS 163 HE1 LYS 163 -16.117 30.139 -8.536 923 HZ1 LYS 163 HZ1 LYS 163 -17.618 28.778 -6.826 924 HZ2 LYS 163 HZ2 LYS 163 -16.630 29.611 -5.724 925 HZ3 LYS 163 HZ3 LYS 163 -15.932 28.615 -6.909 926 H GLY 164 HN GLY 164 -11.372 28.240 -8.168 927 HA2 GLY 164 HA2 GLY 164 -9.811 28.994 -10.493 928 HA3 GLY 164 HA1 GLY 164 -9.949 27.381 -9.801 929 H HIS 165 HN HIS 165 -10.030 27.724 -12.532 930 HA HIS 165 HA HIS 165 -12.063 26.206 -13.440 931 HB2 HIS 165 HB2 HIS 165 -13.108 28.793 -12.671 932 HB3 HIS 165 HB1 HIS 165 -13.380 28.488 -14.386 933 HD2 HIS 165 HD2 HIS 165 -13.481 25.528 -11.779 934 HE1 HIS 165 HE1 HIS 165 -17.378 26.107 -13.294 935 HE2 HIS 165 HE2 HIS 165 -15.926 24.614 -11.841 936 H HIS 166 HN HIS 166 -11.284 29.522 -14.496 937 HA HIS 166 HA HIS 166 -9.604 28.505 -16.641 938 HB2 HIS 166 HB2 HIS 166 -10.900 29.583 -18.418 939 HB3 HIS 166 HB1 HIS 166 -11.874 28.363 -17.596 940 HD2 HIS 166 HD2 HIS 166 -11.940 32.178 -18.269 941 HE1 HIS 166 HE1 HIS 166 -15.048 31.355 -15.531 942 HE2 HIS 166 HE2 HIS 166 -14.047 33.127 -17.049 943 H HIS 167 HN HIS 167 -8.526 30.240 -17.819 944 HA HIS 167 HA HIS 167 -8.703 32.942 -16.824 945 HB2 HIS 167 HB2 HIS 167 -6.384 33.037 -15.983 946 HB3 HIS 167 HB1 HIS 167 -7.376 31.930 -15.035 947 HD2 HIS 167 HD2 HIS 167 -4.247 31.817 -17.354 948 HE1 HIS 167 HE1 HIS 167 -5.132 27.848 -16.218 949 HE2 HIS 167 HE2 HIS 167 -3.426 29.337 -17.367 950 H HIS 168 HN HIS 168 -7.170 34.387 -17.923 951 HA HIS 168 HA HIS 168 -5.856 33.323 -20.298 952 HB2 HIS 168 HB2 HIS 168 -7.054 34.853 -21.821 953 HB3 HIS 168 HB1 HIS 168 -8.148 33.685 -21.084 954 HD2 HIS 168 HD2 HIS 168 -9.888 34.800 -19.072 955 HE1 HIS 168 HE1 HIS 168 -9.003 38.821 -20.003 956 HE2 HIS 168 HE2 HIS 168 -10.556 37.295 -18.695 957 H HIS 169 HN HIS 169 -5.676 35.898 -21.567 958 HA HIS 169 HA HIS 169 -3.354 36.895 -20.349 959 HB2 HIS 169 HB2 HIS 169 -3.433 38.651 -21.969 960 HB3 HIS 169 HB1 HIS 169 -4.092 37.219 -22.756 961 HD2 HIS 169 HD2 HIS 169 -6.869 37.363 -23.365 962 HE1 HIS 169 HE1 HIS 169 -7.416 41.322 -22.003 963 HE2 HIS 169 HE2 HIS 169 -8.501 39.399 -23.257 964 H HIS 170 HN HIS 170 -6.552 37.226 -19.393 965 HA HIS 170 HA HIS 170 -7.639 38.555 -17.871 966 HB2 HIS 170 HB2 HIS 170 -4.769 38.816 -16.984 967 HB3 HIS 170 HB1 HIS 170 -6.093 39.585 -16.108 968 HD2 HIS 170 HD2 HIS 170 -4.330 36.233 -16.116 969 HE1 HIS 170 HE1 HIS 170 -8.165 35.465 -14.527 970 HE2 HIS 170 HE2 HIS 170 -5.834 34.512 -14.855 971 H17 V8Y 201 H17 A7 201 -15.650 24.537 18.428 972 H21 V8Y 201 H21 A7 201 -15.106 22.584 19.476 973 H3 V8Y 201 H3 A7 201 -14.931 20.114 19.581 974 H4 V8Y 201 H4 A7 201 -12.942 18.958 18.631 975 H6 V8Y 201 H6 A7 201 -8.900 20.458 16.383 976 H7 V8Y 201 H7 A7 201 -9.114 22.931 16.290 977 H8 V8Y 201 H8 A7 201 -11.109 24.046 17.250 978 H11 V8Y 201 H11 A7 201 -15.124 26.884 18.195 979 H8L V8Y 201 H8L A7 201 -14.602 26.848 19.884 980 H12 V8Y 201 H12 A7 201 -17.326 25.766 19.149 981 H8M V8Y 201 H8M A7 201 -17.079 27.527 19.263 982 H13 V8Y 201 H13 A7 201 -16.272 27.296 21.562 983 H8O V8Y 201 H8O A7 201 -16.413 25.508 21.426 984 H14 V8Y 201 H14 A7 201 -18.601 25.523 21.892 985 H8N V8Y 201 H8N A7 201 -18.882 26.939 20.815 986 H15 V8Y 201 H15 A7 201 -17.677 28.182 22.868 987 H8P V8Y 201 H8P A7 201 -18.425 26.818 23.744 988 H16 V8Y 201 H16 A7 201 -20.610 27.420 22.597 989 H8Q V8Y 201 H8Q A7 201 -19.807 28.894 22.011 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -3.980 8.387 17.341 2 H2 MET 1 HT2 MET 1 -3.252 9.628 18.245 3 H3 MET 1 HT3 MET 1 -3.110 9.612 16.552 4 HA MET 1 HA MET 1 -5.450 10.280 18.213 5 HB2 MET 1 HB2 MET 1 -4.961 11.720 15.711 6 HB3 MET 1 HB1 MET 1 -5.165 12.350 17.346 7 HG2 MET 1 HG2 MET 1 -2.955 12.923 16.981 8 HG3 MET 1 HG1 MET 1 -2.733 11.314 17.669 9 HE1 MET 1 HE1 MET 1 -3.981 12.974 14.721 10 HE2 MET 1 HE2 MET 1 -3.534 11.987 13.332 11 HE3 MET 1 HE3 MET 1 -2.447 13.257 13.888 12 H ASP 2 HN ASP 2 -6.785 8.496 17.761 13 HA ASP 2 HA ASP 2 -8.095 7.076 16.484 14 HB2 ASP 2 HB2 ASP 2 -8.704 9.880 15.819 15 HB3 ASP 2 HB1 ASP 2 -9.251 8.710 14.621 16 H ASP 3 HN ASP 3 -6.900 5.636 15.324 17 HA ASP 3 HA ASP 3 -5.192 6.252 13.167 18 HB2 ASP 3 HB2 ASP 3 -6.641 3.743 13.911 19 HB3 ASP 3 HB1 ASP 3 -5.483 3.814 12.600 20 H ILE 4 HN ILE 4 -8.636 5.425 13.279 21 HA ILE 4 HA ILE 4 -9.095 5.049 10.564 22 HB ILE 4 HB ILE 4 -10.797 4.697 12.317 23 HG12 ILE 4 HG12 ILE 4 -11.255 5.348 9.790 24 HG13 ILE 4 HG11 ILE 4 -12.597 5.204 10.933 25 HG21 ILE 4 HG21 ILE 4 -11.968 6.637 13.284 26 HG22 ILE 4 HG22 ILE 4 -10.874 7.722 12.428 27 HG23 ILE 4 HG23 ILE 4 -10.252 6.661 13.690 28 HD11 ILE 4 HD11 ILE 4 -12.217 7.385 9.386 29 HD12 ILE 4 HD12 ILE 4 -11.266 7.847 10.795 30 HD13 ILE 4 HD13 ILE 4 -12.977 7.461 10.977 31 H TYR 5 HN TYR 5 -9.062 8.079 12.430 32 HA TYR 5 HA TYR 5 -9.539 9.723 10.143 33 HB2 TYR 5 HB2 TYR 5 -8.436 10.384 12.870 34 HB3 TYR 5 HB1 TYR 5 -8.863 11.584 11.664 35 HD1 TYR 5 HD1 TYR 5 -10.164 11.459 14.388 36 HD2 TYR 5 HD2 TYR 5 -11.218 9.587 10.674 37 HE1 TYR 5 HE1 TYR 5 -12.514 11.333 15.113 38 HE2 TYR 5 HE2 TYR 5 -13.586 9.471 11.409 39 HH TYR 5 HH TYR 5 -14.538 10.036 14.637 40 H LYS 6 HN LYS 6 -6.758 8.365 11.708 41 HA LYS 6 HA LYS 6 -4.750 9.994 10.626 42 HB2 LYS 6 HB2 LYS 6 -4.344 8.299 12.406 43 HB3 LYS 6 HB1 LYS 6 -4.644 7.002 11.248 44 HG2 LYS 6 HG2 LYS 6 -2.316 7.163 11.149 45 HG3 LYS 6 HG1 LYS 6 -2.780 8.256 9.845 46 HD2 LYS 6 HD2 LYS 6 -2.597 9.432 12.577 47 HD3 LYS 6 HD1 LYS 6 -1.079 9.001 11.790 48 HE2 LYS 6 HE2 LYS 6 -3.007 10.400 10.046 49 HE3 LYS 6 HE1 LYS 6 -2.400 11.366 11.390 50 HZ1 LYS 6 HZ1 LYS 6 -1.102 11.062 9.079 51 HZ2 LYS 6 HZ2 LYS 6 -0.406 9.802 9.981 52 HZ3 LYS 6 HZ3 LYS 6 -0.329 11.400 10.552 53 H ALA 7 HN ALA 7 -6.304 7.070 9.423 54 HA ALA 7 HA ALA 7 -4.890 6.917 6.974 55 HB1 ALA 7 HB1 ALA 7 -7.688 5.898 7.582 56 HB2 ALA 7 HB2 ALA 7 -6.199 5.038 7.980 57 HB3 ALA 7 HB3 ALA 7 -6.609 5.348 6.290 58 H ALA 8 HN ALA 8 -7.741 8.620 8.055 59 HA ALA 8 HA ALA 8 -8.792 9.436 5.588 60 HB1 ALA 8 HB1 ALA 8 -9.344 11.588 7.139 61 HB2 ALA 8 HB2 ALA 8 -8.916 10.434 8.411 62 HB3 ALA 8 HB3 ALA 8 -10.227 10.067 7.281 63 H VAL 9 HN VAL 9 -6.237 10.826 7.607 64 HA VAL 9 HA VAL 9 -5.829 13.167 6.089 65 HB VAL 9 HB VAL 9 -3.889 11.574 7.802 66 HG11 VAL 9 HG11 VAL 9 -2.283 13.115 7.376 67 HG12 VAL 9 HG12 VAL 9 -3.426 14.456 7.488 68 HG13 VAL 9 HG13 VAL 9 -3.256 13.566 5.975 69 HG21 VAL 9 HG21 VAL 9 -4.398 13.559 9.374 70 HG22 VAL 9 HG22 VAL 9 -5.643 12.319 9.199 71 HG23 VAL 9 HG23 VAL 9 -5.796 13.847 8.339 72 H GLU 10 HN GLU 10 -4.348 9.954 5.994 73 HA GLU 10 HA GLU 10 -2.616 10.505 3.784 74 HB2 GLU 10 HB2 GLU 10 -2.141 8.684 5.362 75 HB3 GLU 10 HB1 GLU 10 -3.595 7.828 4.827 76 HG2 GLU 10 HG2 GLU 10 -2.687 7.776 2.529 77 HG3 GLU 10 HG1 GLU 10 -1.242 8.613 3.081 78 H GLN 11 HN GLN 11 -5.917 9.546 4.111 79 HA GLN 11 HA GLN 11 -6.301 8.473 1.507 80 HB2 GLN 11 HB2 GLN 11 -8.134 9.544 3.624 81 HB3 GLN 11 HB1 GLN 11 -8.756 9.045 2.067 82 HG2 GLN 11 HG2 GLN 11 -6.946 7.217 3.618 83 HG3 GLN 11 HG1 GLN 11 -8.662 7.301 4.007 84 HE21 GLN 11 HE21 GLN 11 -10.057 6.064 2.714 85 HE22 GLN 11 HE22 GLN 11 -9.606 5.330 1.250 86 H LEU 12 HN LEU 12 -6.600 11.714 2.895 87 HA LEU 12 HA LEU 12 -7.885 12.979 0.764 88 HB2 LEU 12 HB2 LEU 12 -5.745 14.126 2.577 89 HB3 LEU 12 HB1 LEU 12 -6.866 15.065 1.588 90 HG LEU 12 HG LEU 12 -7.491 13.316 3.972 91 HD11 LEU 12 HD11 LEU 12 -8.727 15.447 4.612 92 HD12 LEU 12 HD12 LEU 12 -7.872 16.221 3.278 93 HD13 LEU 12 HD13 LEU 12 -6.966 15.526 4.620 94 HD21 LEU 12 HD21 LEU 12 -9.926 14.113 3.298 95 HD22 LEU 12 HD22 LEU 12 -9.234 12.671 2.552 96 HD23 LEU 12 HD23 LEU 12 -9.221 14.207 1.684 97 H THR 13 HN THR 13 -7.297 13.457 -1.254 98 HA THR 13 HA THR 13 -4.868 12.544 -2.387 99 HB THR 13 HB THR 13 -6.968 12.856 -3.675 100 HG1 THR 13 HG1 THR 13 -5.871 13.353 -5.440 101 HG21 THR 13 HG21 THR 13 -7.956 14.905 -3.987 102 HG22 THR 13 HG22 THR 13 -6.425 15.776 -3.875 103 HG23 THR 13 HG23 THR 13 -7.217 15.194 -2.410 104 H GLU 14 HN GLU 14 -3.626 14.244 -3.848 105 HA GLU 14 HA GLU 14 -2.054 15.783 -2.095 106 HB2 GLU 14 HB2 GLU 14 -2.366 15.854 -5.090 107 HB3 GLU 14 HB1 GLU 14 -1.154 16.783 -4.211 108 HG2 GLU 14 HG2 GLU 14 -1.440 13.777 -3.994 109 HG3 GLU 14 HG1 GLU 14 -0.323 14.574 -5.099 110 H GLU 15 HN GLU 15 -4.710 16.672 -4.272 111 HA GLU 15 HA GLU 15 -4.503 19.481 -3.809 112 HB2 GLU 15 HB2 GLU 15 -5.680 18.352 -5.751 113 HB3 GLU 15 HB1 GLU 15 -6.983 17.976 -4.614 114 HG2 GLU 15 HG2 GLU 15 -7.289 20.345 -4.120 115 HG3 GLU 15 HG1 GLU 15 -5.938 20.762 -5.173 116 H GLN 16 HN GLN 16 -6.496 16.892 -2.392 117 HA GLN 16 HA GLN 16 -8.120 18.534 -0.789 118 HB2 GLN 16 HB2 GLN 16 -7.243 15.661 -0.491 119 HB3 GLN 16 HB1 GLN 16 -8.376 16.422 0.622 120 HG2 GLN 16 HG2 GLN 16 -9.883 16.939 -1.241 121 HG3 GLN 16 HG1 GLN 16 -8.747 16.230 -2.376 122 HE21 GLN 16 HE21 GLN 16 -9.359 14.128 -2.955 123 HE22 GLN 16 HE22 GLN 16 -10.147 13.032 -1.925 124 H LYS 17 HN LYS 17 -5.020 16.947 -0.113 125 HA LYS 17 HA LYS 17 -4.888 17.871 2.590 126 HB2 LYS 17 HB2 LYS 17 -3.366 16.153 0.893 127 HB3 LYS 17 HB1 LYS 17 -2.279 17.361 1.572 128 HG2 LYS 17 HG2 LYS 17 -3.035 16.833 3.833 129 HG3 LYS 17 HG1 LYS 17 -4.224 15.688 3.204 130 HD2 LYS 17 HD2 LYS 17 -1.264 15.427 2.628 131 HD3 LYS 17 HD1 LYS 17 -2.012 14.689 4.045 132 HE2 LYS 17 HE2 LYS 17 -3.631 13.533 2.513 133 HE3 LYS 17 HE1 LYS 17 -2.722 14.171 1.143 134 HZ1 LYS 17 HZ1 LYS 17 -1.237 12.757 3.228 135 HZ2 LYS 17 HZ2 LYS 17 -0.962 12.820 1.552 136 HZ3 LYS 17 HZ3 LYS 17 -2.191 11.828 2.178 137 H ASN 18 HN ASN 18 -3.936 19.124 -0.531 138 HA ASN 18 HA ASN 18 -2.138 21.117 0.333 139 HB2 ASN 18 HB2 ASN 18 -2.482 20.415 -2.053 140 HB3 ASN 18 HB1 ASN 18 -4.040 21.229 -2.027 141 HD21 ASN 18 HD21 ASN 18 -2.151 22.140 -3.872 142 HD22 ASN 18 HD22 ASN 18 -1.556 23.653 -3.382 143 H GLU 19 HN GLU 19 -5.662 21.253 -0.284 144 HA GLU 19 HA GLU 19 -5.985 23.957 0.468 145 HB2 GLU 19 HB2 GLU 19 -7.840 21.613 0.235 146 HB3 GLU 19 HB1 GLU 19 -8.427 23.129 0.897 147 HG2 GLU 19 HG2 GLU 19 -7.994 24.276 -1.105 148 HG3 GLU 19 HG1 GLU 19 -6.935 23.020 -1.716 149 H PHE 20 HN PHE 20 -6.302 20.931 2.272 150 HA PHE 20 HA PHE 20 -7.047 22.165 4.720 151 HB2 PHE 20 HB2 PHE 20 -5.884 19.441 4.068 152 HB3 PHE 20 HB1 PHE 20 -6.311 19.921 5.707 153 HD1 PHE 20 HD1 PHE 20 -7.509 18.113 3.030 154 HD2 PHE 20 HD2 PHE 20 -8.754 21.266 5.681 155 HE1 PHE 20 HE1 PHE 20 -9.883 17.564 2.576 156 HE2 PHE 20 HE2 PHE 20 -11.127 20.707 5.226 157 HZ PHE 20 HZ PHE 20 -11.690 18.858 3.672 158 H LYS 21 HN LYS 21 -4.001 21.264 3.243 159 HA LYS 21 HA LYS 21 -2.321 21.657 5.456 160 HB2 LYS 21 HB2 LYS 21 -1.623 20.568 3.323 161 HB3 LYS 21 HB1 LYS 21 -1.662 22.146 2.538 162 HG2 LYS 21 HG2 LYS 21 0.625 21.691 3.211 163 HG3 LYS 21 HG1 LYS 21 -0.011 22.966 4.253 164 HD2 LYS 21 HD2 LYS 21 -0.370 21.451 6.060 165 HD3 LYS 21 HD1 LYS 21 -0.142 20.047 5.009 166 HE2 LYS 21 HE2 LYS 21 1.883 20.366 6.326 167 HE3 LYS 21 HE1 LYS 21 2.232 20.770 4.646 168 HZ1 LYS 21 HZ1 LYS 21 1.473 23.135 5.502 169 HZ2 LYS 21 HZ2 LYS 21 3.080 22.600 5.641 170 HZ3 LYS 21 HZ3 LYS 21 2.035 22.515 6.977 171 H ALA 22 HN ALA 22 -3.564 23.867 2.998 172 HA ALA 22 HA ALA 22 -2.070 26.143 3.690 173 HB1 ALA 22 HB1 ALA 22 -4.216 27.331 2.779 174 HB2 ALA 22 HB2 ALA 22 -4.741 25.694 2.385 175 HB3 ALA 22 HB3 ALA 22 -3.256 26.339 1.682 176 H ALA 23 HN ALA 23 -5.175 24.903 4.875 177 HA ALA 23 HA ALA 23 -5.774 27.047 6.612 178 HB1 ALA 23 HB1 ALA 23 -6.982 25.059 7.896 179 HB2 ALA 23 HB2 ALA 23 -6.622 24.190 6.405 180 HB3 ALA 23 HB3 ALA 23 -7.598 25.658 6.356 181 H PHE 24 HN PHE 24 -3.873 24.101 7.034 182 HA PHE 24 HA PHE 24 -3.434 24.234 9.779 183 HB2 PHE 24 HB2 PHE 24 -2.684 22.270 8.784 184 HB3 PHE 24 HB1 PHE 24 -1.844 23.126 7.495 185 HD1 PHE 24 HD1 PHE 24 -1.781 22.760 11.252 186 HD2 PHE 24 HD2 PHE 24 0.450 23.425 7.638 187 HE1 PHE 24 HE1 PHE 24 0.332 22.722 12.545 188 HE2 PHE 24 HE2 PHE 24 2.560 23.382 8.935 189 HZ PHE 24 HZ PHE 24 2.502 23.033 11.388 190 H ASP 25 HN ASP 25 -1.525 25.636 7.121 191 HA ASP 25 HA ASP 25 0.437 26.892 8.707 192 HB2 ASP 25 HB2 ASP 25 0.873 26.637 6.385 193 HB3 ASP 25 HB1 ASP 25 -0.607 27.484 5.945 194 H ILE 26 HN ILE 26 -2.687 28.031 7.489 195 HA ILE 26 HA ILE 26 -2.488 30.708 8.280 196 HB ILE 26 HB ILE 26 -4.761 28.811 7.852 197 HG12 ILE 26 HG12 ILE 26 -5.147 31.149 6.428 198 HG13 ILE 26 HG11 ILE 26 -3.394 30.981 6.441 199 HG21 ILE 26 HG21 ILE 26 -4.835 31.234 9.507 200 HG22 ILE 26 HG22 ILE 26 -6.007 29.927 9.352 201 HG23 ILE 26 HG23 ILE 26 -6.002 31.244 8.184 202 HD11 ILE 26 HD11 ILE 26 -4.821 28.465 5.915 203 HD12 ILE 26 HD12 ILE 26 -3.447 29.174 5.071 204 HD13 ILE 26 HD13 ILE 26 -5.084 29.701 4.687 205 H PHE 27 HN PHE 27 -3.633 27.870 10.101 206 HA PHE 27 HA PHE 27 -4.392 29.282 12.415 207 HB2 PHE 27 HB2 PHE 27 -3.648 26.442 11.833 208 HB3 PHE 27 HB1 PHE 27 -3.801 26.963 13.510 209 HD1 PHE 27 HD1 PHE 27 -5.588 26.951 10.261 210 HD2 PHE 27 HD2 PHE 27 -5.901 27.171 14.507 211 HE1 PHE 27 HE1 PHE 27 -8.044 26.754 10.078 212 HE2 PHE 27 HE2 PHE 27 -8.367 27.006 14.351 213 HZ PHE 27 HZ PHE 27 -9.446 26.794 12.127 214 H VAL 28 HN VAL 28 -1.315 27.851 11.417 215 HA VAL 28 HA VAL 28 -0.010 29.035 13.783 216 HB VAL 28 HB VAL 28 1.894 27.525 13.204 217 HG11 VAL 28 HG11 VAL 28 -0.850 26.609 13.912 218 HG12 VAL 28 HG12 VAL 28 0.635 26.546 14.857 219 HG13 VAL 28 HG13 VAL 28 0.355 25.366 13.577 220 HG21 VAL 28 HG21 VAL 28 1.907 26.326 11.287 221 HG22 VAL 28 HG22 VAL 28 0.578 27.360 10.767 222 HG23 VAL 28 HG23 VAL 28 0.239 25.802 11.518 223 H LEU 29 HN LEU 29 -0.842 30.418 11.259 224 HA LEU 29 HA LEU 29 1.287 30.945 9.547 225 HB2 LEU 29 HB2 LEU 29 -1.250 31.860 9.731 226 HB3 LEU 29 HB1 LEU 29 -0.375 33.270 10.320 227 HG LEU 29 HG LEU 29 0.935 32.119 7.999 228 HD11 LEU 29 HD11 LEU 29 -1.142 31.402 7.146 229 HD12 LEU 29 HD12 LEU 29 -0.962 33.016 6.456 230 HD13 LEU 29 HD13 LEU 29 -2.008 32.766 7.856 231 HD21 LEU 29 HD21 LEU 29 0.097 34.700 9.122 232 HD22 LEU 29 HD22 LEU 29 0.038 34.645 7.360 233 HD23 LEU 29 HD23 LEU 29 1.547 34.295 8.203 234 H GLY 30 HN GLY 30 3.298 31.464 10.151 235 HA2 GLY 30 HA2 GLY 30 4.957 32.945 10.884 236 HA3 GLY 30 HA1 GLY 30 3.735 33.839 11.782 237 H ALA 31 HN ALA 31 3.285 30.624 12.439 238 HA ALA 31 HA ALA 31 4.094 30.823 15.134 239 HB1 ALA 31 HB1 ALA 31 3.631 28.396 15.236 240 HB2 ALA 31 HB2 ALA 31 3.553 28.339 13.477 241 HB3 ALA 31 HB3 ALA 31 2.345 29.254 14.386 242 H GLU 32 HN GLU 32 5.935 30.283 16.177 243 HA GLU 32 HA GLU 32 8.361 30.134 14.733 244 HB2 GLU 32 HB2 GLU 32 7.719 29.568 17.630 245 HB3 GLU 32 HB1 GLU 32 9.356 29.593 16.975 246 HG2 GLU 32 HG2 GLU 32 9.107 31.789 17.736 247 HG3 GLU 32 HG1 GLU 32 8.671 31.932 16.033 248 H ASP 33 HN ASP 33 6.383 27.668 16.339 249 HA ASP 33 HA ASP 33 8.251 25.575 15.466 250 HB2 ASP 33 HB2 ASP 33 7.523 25.403 17.761 251 HB3 ASP 33 HB1 ASP 33 5.832 25.518 17.278 252 H GLY 34 HN GLY 34 5.189 26.971 14.693 253 HA2 GLY 34 HA2 GLY 34 4.017 26.664 12.681 254 HA3 GLY 34 HA1 GLY 34 4.929 25.186 12.399 255 H SER 35 HN SER 35 4.124 24.770 15.465 256 HA SER 35 HA SER 35 1.907 23.021 14.832 257 HB2 SER 35 HB2 SER 35 2.086 22.283 17.114 258 HB3 SER 35 HB1 SER 35 3.715 22.461 16.497 259 HG SER 35 HG SER 35 3.461 23.433 18.555 260 H ILE 36 HN ILE 36 -0.246 23.372 15.272 261 HA ILE 36 HA ILE 36 -1.107 26.065 15.774 262 HB ILE 36 HB ILE 36 -2.630 23.464 15.635 263 HG12 ILE 36 HG12 ILE 36 -2.392 25.652 13.560 264 HG13 ILE 36 HG11 ILE 36 -1.348 24.231 13.582 265 HG21 ILE 36 HG21 ILE 36 -4.435 25.357 14.983 266 HG22 ILE 36 HG22 ILE 36 -3.457 26.273 16.128 267 HG23 ILE 36 HG23 ILE 36 -4.227 24.761 16.634 268 HD11 ILE 36 HD11 ILE 36 -4.010 24.465 12.538 269 HD12 ILE 36 HD12 ILE 36 -4.027 23.311 13.877 270 HD13 ILE 36 HD13 ILE 36 -2.939 23.062 12.510 271 H SER 37 HN SER 37 -0.734 26.842 17.776 272 HA SER 37 HA SER 37 -1.388 25.209 20.125 273 HB2 SER 37 HB2 SER 37 -0.188 26.861 21.410 274 HB3 SER 37 HB1 SER 37 0.794 26.448 20.009 275 HG SER 37 HG SER 37 -0.385 28.813 20.707 276 H THR 38 HN THR 38 -2.514 26.428 21.945 277 HA THR 38 HA THR 38 -5.086 27.100 21.217 278 HB THR 38 HB THR 38 -4.932 28.487 23.472 279 HG1 THR 38 HG1 THR 38 -2.983 28.449 24.223 280 HG21 THR 38 HG21 THR 38 -4.601 25.816 24.342 281 HG22 THR 38 HG22 THR 38 -5.353 25.726 22.736 282 HG23 THR 38 HG23 THR 38 -6.109 26.671 24.026 283 H LYS 39 HN LYS 39 -2.280 29.224 21.519 284 HA LYS 39 HA LYS 39 -3.737 31.641 21.107 285 HB2 LYS 39 HB2 LYS 39 -0.892 30.819 21.221 286 HB3 LYS 39 HB1 LYS 39 -1.237 32.276 20.289 287 HG2 LYS 39 HG2 LYS 39 -2.794 32.534 22.606 288 HG3 LYS 39 HG1 LYS 39 -1.249 31.897 23.173 289 HD2 LYS 39 HD2 LYS 39 -0.933 33.981 21.142 290 HD3 LYS 39 HD1 LYS 39 -1.769 34.555 22.585 291 HE2 LYS 39 HE2 LYS 39 0.060 34.242 23.938 292 HE3 LYS 39 HE1 LYS 39 0.634 32.852 23.016 293 HZ1 LYS 39 HZ1 LYS 39 1.267 35.634 22.713 294 HZ2 LYS 39 HZ2 LYS 39 0.817 34.898 21.249 295 HZ3 LYS 39 HZ3 LYS 39 2.105 34.267 22.159 296 H GLU 40 HN GLU 40 -1.771 29.580 18.961 297 HA GLU 40 HA GLU 40 -2.231 31.070 16.596 298 HB2 GLU 40 HB2 GLU 40 -1.324 28.279 17.192 299 HB3 GLU 40 HB1 GLU 40 -1.637 28.765 15.533 300 HG2 GLU 40 HG2 GLU 40 0.767 29.063 16.459 301 HG3 GLU 40 HG1 GLU 40 0.050 30.404 15.573 302 H LEU 41 HN LEU 41 -3.846 28.257 17.994 303 HA LEU 41 HA LEU 41 -5.685 27.850 15.904 304 HB2 LEU 41 HB2 LEU 41 -5.059 26.263 17.849 305 HB3 LEU 41 HB1 LEU 41 -6.261 27.160 18.782 306 HG LEU 41 HG LEU 41 -7.103 26.284 16.069 307 HD11 LEU 41 HD11 LEU 41 -6.620 24.105 16.349 308 HD12 LEU 41 HD12 LEU 41 -7.661 24.097 17.773 309 HD13 LEU 41 HD13 LEU 41 -5.936 24.426 17.944 310 HD21 LEU 41 HD21 LEU 41 -8.805 27.307 17.306 311 HD22 LEU 41 HD22 LEU 41 -8.276 26.578 18.824 312 HD23 LEU 41 HD23 LEU 41 -9.110 25.598 17.617 313 H GLY 42 HN GLY 42 -5.993 29.534 19.023 314 HA2 GLY 42 HA2 GLY 42 -8.641 30.400 18.618 315 HA3 GLY 42 HA1 GLY 42 -7.498 31.151 19.714 316 H LYS 43 HN LYS 43 -5.538 31.665 17.538 317 HA LYS 43 HA LYS 43 -6.249 34.259 16.810 318 HB2 LYS 43 HB2 LYS 43 -3.992 33.840 16.541 319 HB3 LYS 43 HB1 LYS 43 -4.262 32.265 15.795 320 HG2 LYS 43 HG2 LYS 43 -5.369 34.518 14.255 321 HG3 LYS 43 HG1 LYS 43 -3.611 34.551 14.416 322 HD2 LYS 43 HD2 LYS 43 -4.594 31.864 13.864 323 HD3 LYS 43 HD1 LYS 43 -5.063 33.006 12.601 324 HE2 LYS 43 HE2 LYS 43 -2.251 33.094 13.623 325 HE3 LYS 43 HE1 LYS 43 -2.702 31.794 12.524 326 HZ1 LYS 43 HZ1 LYS 43 -2.701 34.699 12.052 327 HZ2 LYS 43 HZ2 LYS 43 -3.723 33.693 11.144 328 HZ3 LYS 43 HZ3 LYS 43 -2.041 33.461 11.099 329 H VAL 44 HN VAL 44 -6.357 31.305 14.796 330 HA VAL 44 HA VAL 44 -7.748 32.569 12.624 331 HB VAL 44 HB VAL 44 -6.933 29.807 13.366 332 HG11 VAL 44 HG11 VAL 44 -9.099 29.082 13.042 333 HG12 VAL 44 HG12 VAL 44 -8.493 29.053 11.384 334 HG13 VAL 44 HG13 VAL 44 -9.489 30.403 11.939 335 HG21 VAL 44 HG21 VAL 44 -5.776 30.004 11.434 336 HG22 VAL 44 HG22 VAL 44 -6.212 31.709 11.502 337 HG23 VAL 44 HG23 VAL 44 -7.185 30.585 10.555 338 H MET 45 HN MET 45 -8.731 30.988 15.592 339 HA MET 45 HA MET 45 -11.438 30.575 15.013 340 HB2 MET 45 HB2 MET 45 -10.002 31.203 17.612 341 HB3 MET 45 HB1 MET 45 -11.702 30.753 17.537 342 HG2 MET 45 HG2 MET 45 -9.501 29.044 16.363 343 HG3 MET 45 HG1 MET 45 -10.106 28.834 18.005 344 HE1 MET 45 HE1 MET 45 -12.481 27.436 18.513 345 HE2 MET 45 HE2 MET 45 -13.795 28.169 17.583 346 HE3 MET 45 HE3 MET 45 -12.591 29.198 18.360 347 H ARG 46 HN ARG 46 -9.716 33.387 16.299 348 HA ARG 46 HA ARG 46 -12.009 35.046 16.586 349 HB2 ARG 46 HB2 ARG 46 -9.068 35.717 16.312 350 HB3 ARG 46 HB1 ARG 46 -10.322 36.906 16.666 351 HG2 ARG 46 HG2 ARG 46 -10.921 35.728 18.720 352 HG3 ARG 46 HG1 ARG 46 -9.767 34.445 18.355 353 HD2 ARG 46 HD2 ARG 46 -8.715 35.935 19.933 354 HD3 ARG 46 HD1 ARG 46 -7.946 36.184 18.369 355 HE ARG 46 HE ARG 46 -8.940 38.312 18.258 356 HH11 ARG 46 HH11 ARG 46 -10.038 36.455 20.962 357 HH12 ARG 46 HH12 ARG 46 -10.796 37.797 21.753 358 HH21 ARG 46 HH21 ARG 46 -9.937 40.079 19.289 359 HH22 ARG 46 HH22 ARG 46 -10.741 39.846 20.805 360 H MET 47 HN MET 47 -9.720 34.436 14.013 361 HA MET 47 HA MET 47 -10.410 36.475 12.251 362 HB2 MET 47 HB2 MET 47 -9.083 35.366 10.773 363 HB3 MET 47 HB1 MET 47 -8.691 34.365 12.159 364 HG2 MET 47 HG2 MET 47 -10.876 33.080 11.433 365 HG3 MET 47 HG1 MET 47 -10.501 33.798 9.881 366 HE1 MET 47 HE1 MET 47 -6.883 33.628 10.547 367 HE2 MET 47 HE2 MET 47 -8.086 34.190 9.387 368 HE3 MET 47 HE3 MET 47 -7.083 32.792 9.001 369 H LEU 48 HN LEU 48 -12.067 33.540 13.122 370 HA LEU 48 HA LEU 48 -14.030 33.887 10.978 371 HB2 LEU 48 HB2 LEU 48 -13.951 31.751 13.108 372 HB3 LEU 48 HB1 LEU 48 -14.896 31.747 11.617 373 HG LEU 48 HG LEU 48 -11.886 31.660 11.856 374 HD11 LEU 48 HD11 LEU 48 -12.301 29.524 10.559 375 HD12 LEU 48 HD12 LEU 48 -13.998 29.711 11.001 376 HD13 LEU 48 HD13 LEU 48 -12.771 29.526 12.255 377 HD21 LEU 48 HD21 LEU 48 -12.200 31.314 9.270 378 HD22 LEU 48 HD22 LEU 48 -12.172 32.947 9.932 379 HD23 LEU 48 HD23 LEU 48 -13.713 32.184 9.529 380 H GLY 49 HN GLY 49 -13.551 35.173 13.944 381 HA2 GLY 49 HA2 GLY 49 -15.115 36.680 14.939 382 HA3 GLY 49 HA1 GLY 49 -16.425 35.664 14.345 383 H GLN 50 HN GLN 50 -14.000 33.698 15.522 384 HA GLN 50 HA GLN 50 -15.565 33.097 17.910 385 HB2 GLN 50 HB2 GLN 50 -13.049 31.758 16.944 386 HB3 GLN 50 HB1 GLN 50 -14.235 31.120 18.072 387 HG2 GLN 50 HG2 GLN 50 -14.526 31.556 15.086 388 HG3 GLN 50 HG1 GLN 50 -14.803 30.075 16.009 389 HE21 GLN 50 HE21 GLN 50 -16.508 30.884 18.045 390 HE22 GLN 50 HE22 GLN 50 -17.938 31.530 17.400 391 H ASN 51 HN ASN 51 -14.940 33.507 19.990 392 HA ASN 51 HA ASN 51 -12.212 34.577 20.324 393 HB2 ASN 51 HB2 ASN 51 -13.975 36.366 20.333 394 HB3 ASN 51 HB1 ASN 51 -14.672 35.584 21.747 395 HD21 ASN 51 HD21 ASN 51 -13.427 38.313 21.575 396 HD22 ASN 51 HD22 ASN 51 -12.164 38.302 22.710 397 HA PRO 52 HA PRO 52 -13.241 31.261 23.442 398 HB2 PRO 52 HB2 PRO 52 -11.502 29.364 22.591 399 HB3 PRO 52 HB1 PRO 52 -13.133 29.530 21.921 400 HG2 PRO 52 HG2 PRO 52 -10.521 30.400 20.803 401 HG3 PRO 52 HG1 PRO 52 -11.932 29.717 19.987 402 HD2 PRO 52 HD2 PRO 52 -11.319 32.403 20.023 403 HD3 PRO 52 HD1 PRO 52 -12.935 31.759 19.755 404 H THR 53 HN THR 53 -12.070 30.949 25.332 405 HA THR 53 HA THR 53 -9.645 32.505 25.626 406 HB THR 53 HB THR 53 -9.823 31.885 28.002 407 HG1 THR 53 HG1 THR 53 -10.926 29.779 27.175 408 HG21 THR 53 HG21 THR 53 -11.126 33.777 27.154 409 HG22 THR 53 HG22 THR 53 -12.021 32.936 28.420 410 HG23 THR 53 HG23 THR 53 -12.449 32.691 26.725 411 HA PRO 54 HA PRO 54 -6.574 29.442 25.062 412 HB2 PRO 54 HB2 PRO 54 -5.486 30.314 27.703 413 HB3 PRO 54 HB1 PRO 54 -4.682 30.217 26.126 414 HG2 PRO 54 HG2 PRO 54 -5.394 32.542 27.111 415 HG3 PRO 54 HG1 PRO 54 -5.584 32.203 25.389 416 HD2 PRO 54 HD2 PRO 54 -7.677 32.287 27.540 417 HD3 PRO 54 HD1 PRO 54 -7.775 32.820 25.846 418 H GLU 55 HN GLU 55 -8.000 29.664 28.301 419 HA GLU 55 HA GLU 55 -7.204 27.133 29.256 420 HB2 GLU 55 HB2 GLU 55 -9.582 28.875 29.935 421 HB3 GLU 55 HB1 GLU 55 -9.174 27.400 30.812 422 HG2 GLU 55 HG2 GLU 55 -8.029 28.940 32.094 423 HG3 GLU 55 HG1 GLU 55 -6.778 28.546 30.923 424 H GLU 56 HN GLU 56 -10.037 28.191 27.413 425 HA GLU 56 HA GLU 56 -11.212 25.540 27.410 426 HB2 GLU 56 HB2 GLU 56 -12.166 28.137 26.983 427 HB3 GLU 56 HB1 GLU 56 -12.281 27.348 25.408 428 HG2 GLU 56 HG2 GLU 56 -14.333 26.871 26.564 429 HG3 GLU 56 HG1 GLU 56 -13.380 25.390 26.591 430 H LEU 57 HN LEU 57 -9.295 27.566 25.283 431 HA LEU 57 HA LEU 57 -9.515 25.995 22.938 432 HB2 LEU 57 HB2 LEU 57 -7.575 28.057 23.866 433 HB3 LEU 57 HB1 LEU 57 -7.264 27.147 22.399 434 HG LEU 57 HG LEU 57 -9.873 28.565 22.944 435 HD11 LEU 57 HD11 LEU 57 -7.292 29.577 22.080 436 HD12 LEU 57 HD12 LEU 57 -8.750 30.464 22.536 437 HD13 LEU 57 HD13 LEU 57 -8.568 29.858 20.885 438 HD21 LEU 57 HD21 LEU 57 -9.073 28.235 20.196 439 HD22 LEU 57 HD22 LEU 57 -10.530 27.639 21.001 440 HD23 LEU 57 HD23 LEU 57 -9.052 26.674 21.024 441 H GLN 58 HN GLN 58 -7.289 25.919 25.681 442 HA GLN 58 HA GLN 58 -5.386 24.164 24.705 443 HB2 GLN 58 HB2 GLN 58 -6.372 24.969 27.353 444 HB3 GLN 58 HB1 GLN 58 -5.595 23.388 27.318 445 HG2 GLN 58 HG2 GLN 58 -3.734 24.614 25.956 446 HG3 GLN 58 HG1 GLN 58 -4.448 26.083 26.622 447 HE21 GLN 58 HE21 GLN 58 -1.883 25.615 27.456 448 HE22 GLN 58 HE22 GLN 58 -1.852 25.025 29.047 449 H GLU 59 HN GLU 59 -8.409 23.347 26.424 450 HA GLU 59 HA GLU 59 -8.088 20.546 26.250 451 HB2 GLU 59 HB2 GLU 59 -9.683 21.648 27.785 452 HB3 GLU 59 HB1 GLU 59 -10.646 22.167 26.402 453 HG2 GLU 59 HG2 GLU 59 -11.013 19.823 25.764 454 HG3 GLU 59 HG1 GLU 59 -10.026 19.291 27.123 455 H MET 60 HN MET 60 -9.742 22.894 24.183 456 HA MET 60 HA MET 60 -10.832 21.108 22.317 457 HB2 MET 60 HB2 MET 60 -11.556 23.387 22.268 458 HB3 MET 60 HB1 MET 60 -9.909 23.972 22.036 459 HG2 MET 60 HG2 MET 60 -10.280 22.178 19.934 460 HG3 MET 60 HG1 MET 60 -11.827 23.021 20.053 461 HE1 MET 60 HE1 MET 60 -7.715 25.045 19.736 462 HE2 MET 60 HE2 MET 60 -7.975 23.317 19.510 463 HE3 MET 60 HE3 MET 60 -8.291 24.048 21.080 464 H ILE 61 HN ILE 61 -7.673 22.690 22.447 465 HA ILE 61 HA ILE 61 -6.657 21.819 19.970 466 HB ILE 61 HB ILE 61 -5.295 22.429 22.587 467 HG12 ILE 61 HG12 ILE 61 -6.035 23.929 20.089 468 HG13 ILE 61 HG11 ILE 61 -6.228 24.419 21.749 469 HG21 ILE 61 HG21 ILE 61 -3.255 22.558 21.128 470 HG22 ILE 61 HG22 ILE 61 -4.188 21.813 19.839 471 HG23 ILE 61 HG23 ILE 61 -3.887 20.921 21.333 472 HD11 ILE 61 HD11 ILE 61 -4.421 25.595 20.435 473 HD12 ILE 61 HD12 ILE 61 -3.531 24.081 20.456 474 HD13 ILE 61 HD13 ILE 61 -3.910 24.899 21.972 475 H ASP 62 HN ASP 62 -6.397 20.386 23.229 476 HA ASP 62 HA ASP 62 -4.819 18.185 22.589 477 HB2 ASP 62 HB2 ASP 62 -5.316 18.872 24.885 478 HB3 ASP 62 HB1 ASP 62 -6.984 18.356 24.672 479 H GLU 63 HN GLU 63 -8.119 18.831 21.889 480 HA GLU 63 HA GLU 63 -9.278 16.328 21.663 481 HB2 GLU 63 HB2 GLU 63 -10.494 18.395 21.195 482 HB3 GLU 63 HB1 GLU 63 -9.527 18.667 19.757 483 HG2 GLU 63 HG2 GLU 63 -11.676 17.676 19.148 484 HG3 GLU 63 HG1 GLU 63 -10.372 16.540 18.810 485 H VAL 64 HN VAL 64 -7.052 17.933 19.423 486 HA VAL 64 HA VAL 64 -6.887 15.413 17.883 487 HB VAL 64 HB VAL 64 -5.852 17.091 16.129 488 HG11 VAL 64 HG11 VAL 64 -8.382 17.661 15.545 489 HG12 VAL 64 HG12 VAL 64 -8.714 16.527 16.854 490 HG13 VAL 64 HG13 VAL 64 -7.800 15.997 15.431 491 HG21 VAL 64 HG21 VAL 64 -7.727 18.887 17.686 492 HG22 VAL 64 HG22 VAL 64 -6.762 19.316 16.273 493 HG23 VAL 64 HG23 VAL 64 -5.968 18.981 17.815 494 H ASP 65 HN ASP 65 -5.277 17.281 20.109 495 HA ASP 65 HA ASP 65 -2.614 17.120 19.094 496 HB2 ASP 65 HB2 ASP 65 -3.429 18.725 20.866 497 HB3 ASP 65 HB1 ASP 65 -3.451 17.360 21.976 498 H GLU 66 HN GLU 66 -1.547 15.272 18.790 499 HA GLU 66 HA GLU 66 -2.293 12.781 19.896 500 HB2 GLU 66 HB2 GLU 66 -1.049 13.021 17.790 501 HB3 GLU 66 HB1 GLU 66 0.345 13.586 18.704 502 HG2 GLU 66 HG2 GLU 66 0.410 11.467 19.942 503 HG3 GLU 66 HG1 GLU 66 -1.003 10.905 19.054 504 H ASP 67 HN ASP 67 0.370 15.005 20.716 505 HA ASP 67 HA ASP 67 1.042 13.344 23.037 506 HB2 ASP 67 HB2 ASP 67 2.983 14.817 23.258 507 HB3 ASP 67 HB1 ASP 67 2.861 14.201 21.610 508 H GLY 68 HN GLY 68 -1.026 15.869 22.328 509 HA2 GLY 68 HA2 GLY 68 -2.325 17.208 23.677 510 HA3 GLY 68 HA1 GLY 68 -1.696 16.314 25.057 511 H SER 69 HN SER 69 0.537 17.813 22.881 512 HA SER 69 HA SER 69 1.696 19.400 24.946 513 HB2 SER 69 HB2 SER 69 2.856 20.435 22.794 514 HB3 SER 69 HB1 SER 69 3.286 18.829 23.383 515 HG SER 69 HG SER 69 2.846 18.663 21.216 516 H GLY 70 HN GLY 70 -1.162 19.837 23.546 517 HA2 GLY 70 HA2 GLY 70 -2.579 21.664 23.541 518 HA3 GLY 70 HA1 GLY 70 -1.260 22.634 24.192 519 H THR 71 HN THR 71 -0.522 20.815 21.397 520 HA THR 71 HA THR 71 -1.096 23.084 19.622 521 HB THR 71 HB THR 71 1.284 22.512 18.649 522 HG1 THR 71 HG1 THR 71 2.053 21.001 19.909 523 HG21 THR 71 HG21 THR 71 1.279 24.686 19.269 524 HG22 THR 71 HG22 THR 71 2.058 24.116 20.747 525 HG23 THR 71 HG23 THR 71 0.312 24.362 20.708 526 H VAL 72 HN VAL 72 -2.121 22.395 17.878 527 HA VAL 72 HA VAL 72 -1.896 19.576 17.084 528 HB VAL 72 HB VAL 72 -4.165 19.832 17.108 529 HG11 VAL 72 HG11 VAL 72 -4.617 21.872 18.054 530 HG12 VAL 72 HG12 VAL 72 -5.034 22.301 16.398 531 HG13 VAL 72 HG13 VAL 72 -3.455 22.719 17.045 532 HG21 VAL 72 HG21 VAL 72 -5.029 20.195 14.952 533 HG22 VAL 72 HG22 VAL 72 -3.354 19.723 14.653 534 HG23 VAL 72 HG23 VAL 72 -3.822 21.423 14.571 535 H ASP 73 HN ASP 73 -0.258 19.285 15.696 536 HA ASP 73 HA ASP 73 0.599 21.307 13.849 537 HB2 ASP 73 HB2 ASP 73 1.271 18.389 13.687 538 HB3 ASP 73 HB1 ASP 73 2.245 19.756 13.173 539 H PHE 74 HN PHE 74 1.077 19.953 11.507 540 HA PHE 74 HA PHE 74 -1.308 20.303 10.104 541 HB2 PHE 74 HB2 PHE 74 0.601 20.407 8.780 542 HB3 PHE 74 HB1 PHE 74 1.278 18.932 9.468 543 HD1 PHE 74 HD1 PHE 74 -2.241 19.375 8.319 544 HD2 PHE 74 HD2 PHE 74 1.610 17.662 7.474 545 HE1 PHE 74 HE1 PHE 74 -3.242 18.024 6.483 546 HE2 PHE 74 HE2 PHE 74 0.613 16.317 5.646 547 HZ PHE 74 HZ PHE 74 -1.810 16.497 5.153 548 H ASP 75 HN ASP 75 0.263 17.240 11.079 549 HA ASP 75 HA ASP 75 -1.752 15.551 10.057 550 HB2 ASP 75 HB2 ASP 75 0.263 15.178 12.257 551 HB3 ASP 75 HB1 ASP 75 -0.800 13.893 11.686 552 H GLU 76 HN GLU 76 -1.270 16.964 13.274 553 HA GLU 76 HA GLU 76 -3.466 15.688 14.532 554 HB2 GLU 76 HB2 GLU 76 -2.026 18.278 15.180 555 HB3 GLU 76 HB1 GLU 76 -3.230 17.523 16.226 556 HG2 GLU 76 HG2 GLU 76 -1.877 15.493 16.385 557 HG3 GLU 76 HG1 GLU 76 -0.696 16.166 15.264 558 H PHE 77 HN PHE 77 -3.140 18.735 12.769 559 HA PHE 77 HA PHE 77 -5.804 19.625 13.316 560 HB2 PHE 77 HB2 PHE 77 -4.987 21.531 12.437 561 HB3 PHE 77 HB1 PHE 77 -3.475 20.690 12.105 562 HD1 PHE 77 HD1 PHE 77 -6.820 21.499 10.718 563 HD2 PHE 77 HD2 PHE 77 -2.872 20.066 9.884 564 HE1 PHE 77 HE1 PHE 77 -7.280 21.624 8.291 565 HE2 PHE 77 HE2 PHE 77 -3.329 20.205 7.455 566 HZ PHE 77 HZ PHE 77 -5.537 20.986 6.663 567 H LEU 78 HN LEU 78 -4.254 17.853 10.684 568 HA LEU 78 HA LEU 78 -6.346 17.871 8.839 569 HB2 LEU 78 HB2 LEU 78 -3.860 16.833 8.835 570 HB3 LEU 78 HB1 LEU 78 -4.783 15.362 9.117 571 HG LEU 78 HG LEU 78 -4.465 15.766 6.692 572 HD11 LEU 78 HD11 LEU 78 -6.490 14.909 6.322 573 HD12 LEU 78 HD12 LEU 78 -7.264 16.433 6.772 574 HD13 LEU 78 HD13 LEU 78 -6.869 15.243 8.014 575 HD21 LEU 78 HD21 LEU 78 -4.937 17.727 5.674 576 HD22 LEU 78 HD22 LEU 78 -4.748 18.406 7.297 577 HD23 LEU 78 HD23 LEU 78 -6.355 18.018 6.678 578 H VAL 79 HN VAL 79 -5.774 15.870 11.683 579 HA VAL 79 HA VAL 79 -7.814 13.973 11.281 580 HB VAL 79 HB VAL 79 -6.587 15.089 13.783 581 HG11 VAL 79 HG11 VAL 79 -8.343 12.647 13.608 582 HG12 VAL 79 HG12 VAL 79 -8.973 14.231 14.067 583 HG13 VAL 79 HG13 VAL 79 -7.740 13.452 15.058 584 HG21 VAL 79 HG21 VAL 79 -6.039 12.377 13.539 585 HG22 VAL 79 HG22 VAL 79 -4.938 13.683 13.090 586 HG23 VAL 79 HG23 VAL 79 -5.983 12.952 11.871 587 H MET 80 HN MET 80 -7.837 17.189 12.733 588 HA MET 80 HA MET 80 -10.451 17.169 13.716 589 HB2 MET 80 HB2 MET 80 -9.008 18.980 14.305 590 HB3 MET 80 HB1 MET 80 -8.762 19.413 12.619 591 HG2 MET 80 HG2 MET 80 -11.331 19.757 12.541 592 HG3 MET 80 HG1 MET 80 -11.241 19.756 14.303 593 HE1 MET 80 HE1 MET 80 -11.616 23.433 14.047 594 HE2 MET 80 HE2 MET 80 -12.305 21.846 14.383 595 HE3 MET 80 HE3 MET 80 -12.311 22.470 12.736 596 H MET 81 HN MET 81 -9.186 17.974 10.504 597 HA MET 81 HA MET 81 -11.607 18.809 9.340 598 HB2 MET 81 HB2 MET 81 -9.192 17.481 8.147 599 HB3 MET 81 HB1 MET 81 -10.508 18.126 7.185 600 HG2 MET 81 HG2 MET 81 -8.818 19.688 9.120 601 HG3 MET 81 HG1 MET 81 -8.695 19.759 7.370 602 HE1 MET 81 HE1 MET 81 -10.457 22.221 10.121 603 HE2 MET 81 HE2 MET 81 -10.023 20.544 10.448 604 HE3 MET 81 HE3 MET 81 -11.720 20.997 10.314 605 H VAL 82 HN VAL 82 -10.087 15.614 9.436 606 HA VAL 82 HA VAL 82 -12.215 14.303 8.063 607 HB VAL 82 HB VAL 82 -10.441 12.896 7.893 608 HG11 VAL 82 HG11 VAL 82 -8.846 12.748 10.021 609 HG12 VAL 82 HG12 VAL 82 -9.582 14.309 10.357 610 HG13 VAL 82 HG13 VAL 82 -8.713 14.061 8.853 611 HG21 VAL 82 HG21 VAL 82 -10.636 11.028 9.306 612 HG22 VAL 82 HG22 VAL 82 -12.218 11.796 9.473 613 HG23 VAL 82 HG23 VAL 82 -10.992 12.021 10.726 614 H ARG 83 HN ARG 83 -11.551 15.056 11.406 615 HA ARG 83 HA ARG 83 -13.324 13.283 12.645 616 HB2 ARG 83 HB2 ARG 83 -12.257 15.985 13.402 617 HB3 ARG 83 HB1 ARG 83 -13.425 15.165 14.423 618 HG2 ARG 83 HG2 ARG 83 -11.916 13.188 14.507 619 HG3 ARG 83 HG1 ARG 83 -10.723 14.086 13.578 620 HD2 ARG 83 HD2 ARG 83 -10.594 15.786 15.329 621 HD3 ARG 83 HD1 ARG 83 -11.856 14.963 16.243 622 HE ARG 83 HE ARG 83 -9.069 14.151 16.012 623 HH11 ARG 83 HH11 ARG 83 -12.334 13.320 16.827 624 HH12 ARG 83 HH12 ARG 83 -11.888 11.997 17.852 625 HH21 ARG 83 HH21 ARG 83 -8.482 12.410 17.355 626 HH22 ARG 83 HH22 ARG 83 -9.710 11.484 18.150 627 H SER 84 HN SER 84 -13.834 16.473 11.209 628 HA SER 84 HA SER 84 -16.658 16.466 11.898 629 HB2 SER 84 HB2 SER 84 -16.701 18.618 10.684 630 HB3 SER 84 HB1 SER 84 -15.446 18.586 11.919 631 HG SER 84 HG SER 84 -15.045 17.964 9.176 632 H MET 85 HN MET 85 -14.639 15.446 9.316 633 HA MET 85 HA MET 85 -16.483 15.593 7.162 634 HB2 MET 85 HB2 MET 85 -13.873 14.400 7.671 635 HB3 MET 85 HB1 MET 85 -14.877 13.443 6.593 636 HG2 MET 85 HG2 MET 85 -14.204 14.850 4.957 637 HG3 MET 85 HG1 MET 85 -15.302 15.998 5.692 638 HE1 MET 85 HE1 MET 85 -11.246 15.425 5.075 639 HE2 MET 85 HE2 MET 85 -12.151 14.276 6.059 640 HE3 MET 85 HE3 MET 85 -11.004 15.371 6.829 641 H LYS 86 HN LYS 86 -15.754 13.092 9.557 642 HA LYS 86 HA LYS 86 -17.358 11.050 8.449 643 HB2 LYS 86 HB2 LYS 86 -15.670 10.674 10.221 644 HB3 LYS 86 HB1 LYS 86 -16.701 11.539 11.360 645 HG2 LYS 86 HG2 LYS 86 -18.506 9.893 10.979 646 HG3 LYS 86 HG1 LYS 86 -17.466 9.024 9.850 647 HD2 LYS 86 HD2 LYS 86 -15.836 8.604 11.639 648 HD3 LYS 86 HD1 LYS 86 -16.840 9.506 12.777 649 HE2 LYS 86 HE2 LYS 86 -17.236 7.095 13.027 650 HE3 LYS 86 HE1 LYS 86 -18.684 7.892 12.415 651 HZ1 LYS 86 HZ1 LYS 86 -17.972 7.264 10.157 652 HZ2 LYS 86 HZ2 LYS 86 -18.274 5.919 11.149 653 HZ3 LYS 86 HZ3 LYS 86 -16.677 6.395 10.821 654 H ASP 87 HN ASP 87 -18.074 13.608 10.803 655 HA ASP 87 HA ASP 87 -20.688 12.801 11.465 656 HB2 ASP 87 HB2 ASP 87 -19.370 14.513 12.700 657 HB3 ASP 87 HB1 ASP 87 -19.604 15.621 11.351 658 H ASP 88 HN ASP 88 -19.527 15.066 8.964 659 HA ASP 88 HA ASP 88 -22.159 15.636 7.985 660 HB2 ASP 88 HB2 ASP 88 -21.049 16.831 6.221 661 HB3 ASP 88 HB1 ASP 88 -20.180 17.149 7.720 662 H SER 89 HN SER 89 -19.887 13.102 7.496 663 HA SER 89 HA SER 89 -19.835 11.286 6.090 664 HB2 SER 89 HB2 SER 89 -22.165 11.212 7.270 665 HB3 SER 89 HB1 SER 89 -22.783 11.622 5.676 666 HG SER 89 HG SER 89 -21.880 9.776 4.860 667 H LYS 90 HN LYS 90 -22.619 12.813 4.523 668 HA LYS 90 HA LYS 90 -21.289 12.633 1.957 669 HB2 LYS 90 HB2 LYS 90 -23.432 13.317 1.027 670 HB3 LYS 90 HB1 LYS 90 -23.680 12.040 2.219 671 HG2 LYS 90 HG2 LYS 90 -24.429 13.576 3.865 672 HG3 LYS 90 HG1 LYS 90 -23.840 14.959 2.949 673 HD2 LYS 90 HD2 LYS 90 -25.760 13.276 1.483 674 HD3 LYS 90 HD1 LYS 90 -26.432 14.061 2.911 675 HE2 LYS 90 HE2 LYS 90 -24.973 16.102 1.807 676 HE3 LYS 90 HE1 LYS 90 -25.526 15.247 0.367 677 HZ1 LYS 90 HZ1 LYS 90 -27.584 15.974 0.680 678 HZ2 LYS 90 HZ2 LYS 90 -26.977 17.010 1.881 679 HZ3 LYS 90 HZ3 LYS 90 -27.597 15.487 2.305 680 H GLY 136 HN GLY 136 -20.380 14.576 4.071 681 HA2 GLY 136 HA2 GLY 136 -20.869 17.127 2.673 682 HA3 GLY 136 HA1 GLY 136 -20.232 16.960 4.306 683 H LYS 137 HN LYS 137 -19.462 17.184 0.964 684 HA LYS 137 HA LYS 137 -16.657 16.431 1.394 685 HB2 LYS 137 HB2 LYS 137 -17.932 17.391 -1.171 686 HB3 LYS 137 HB1 LYS 137 -16.440 16.470 -0.979 687 HG2 LYS 137 HG2 LYS 137 -17.671 14.529 -0.195 688 HG3 LYS 137 HG1 LYS 137 -19.181 15.443 -0.190 689 HD2 LYS 137 HD2 LYS 137 -19.349 14.360 -2.239 690 HD3 LYS 137 HD1 LYS 137 -18.566 15.863 -2.729 691 HE2 LYS 137 HE2 LYS 137 -17.312 14.104 -3.754 692 HE3 LYS 137 HE1 LYS 137 -16.341 14.662 -2.392 693 HZ1 LYS 137 HZ1 LYS 137 -17.033 12.102 -2.834 694 HZ2 LYS 137 HZ2 LYS 137 -18.234 12.589 -1.733 695 HZ3 LYS 137 HZ3 LYS 137 -16.591 12.732 -1.321 696 H PHE 138 HN PHE 138 -18.547 19.182 0.140 697 HA PHE 138 HA PHE 138 -17.352 21.233 1.487 698 HB2 PHE 138 HB2 PHE 138 -15.469 20.054 -0.323 699 HB3 PHE 138 HB1 PHE 138 -15.842 21.689 -0.869 700 HD1 PHE 138 HD1 PHE 138 -13.860 19.773 1.346 701 HD2 PHE 138 HD2 PHE 138 -15.948 23.516 1.050 702 HE1 PHE 138 HE1 PHE 138 -12.447 20.704 3.159 703 HE2 PHE 138 HE2 PHE 138 -14.534 24.447 2.861 704 HZ PHE 138 HZ PHE 138 -12.783 23.042 3.916 705 H LYS 139 HN LYS 139 -19.630 20.244 -0.297 706 HA LYS 139 HA LYS 139 -19.980 21.968 -2.486 707 HB2 LYS 139 HB2 LYS 139 -21.770 20.338 -0.749 708 HB3 LYS 139 HB1 LYS 139 -22.512 21.538 -1.804 709 HG2 LYS 139 HG2 LYS 139 -20.474 19.558 -2.827 710 HG3 LYS 139 HG1 LYS 139 -22.197 19.187 -2.786 711 HD2 LYS 139 HD2 LYS 139 -20.855 21.457 -4.282 712 HD3 LYS 139 HD1 LYS 139 -21.690 20.067 -4.979 713 HE2 LYS 139 HE2 LYS 139 -23.674 21.000 -3.433 714 HE3 LYS 139 HE1 LYS 139 -22.818 22.514 -3.709 715 HZ1 LYS 139 HZ1 LYS 139 -22.828 21.520 -6.167 716 HZ2 LYS 139 HZ2 LYS 139 -24.063 22.522 -5.568 717 HZ3 LYS 139 HZ3 LYS 139 -24.268 20.836 -5.588 718 H ARG 140 HN ARG 140 -22.487 23.189 -1.952 719 HA ARG 140 HA ARG 140 -21.660 25.702 -0.974 720 HB2 ARG 140 HB2 ARG 140 -23.934 26.393 -1.248 721 HB3 ARG 140 HB1 ARG 140 -23.595 25.245 -2.546 722 HG2 ARG 140 HG2 ARG 140 -25.542 24.313 -1.771 723 HG3 ARG 140 HG1 ARG 140 -24.402 23.512 -0.693 724 HD2 ARG 140 HD2 ARG 140 -25.512 24.394 1.057 725 HD3 ARG 140 HD1 ARG 140 -24.975 25.984 0.523 726 HE ARG 140 HE ARG 140 -27.089 26.342 -0.444 727 HH11 ARG 140 HH11 ARG 140 -26.686 23.121 0.751 728 HH12 ARG 140 HH12 ARG 140 -28.369 22.724 0.649 729 HH21 ARG 140 HH21 ARG 140 -29.301 25.831 -0.575 730 HH22 ARG 140 HH22 ARG 140 -29.850 24.257 -0.101 731 HA PRO 141 HA PRO 141 -22.268 25.647 3.336 732 HB2 PRO 141 HB2 PRO 141 -24.239 27.853 3.241 733 HB3 PRO 141 HB1 PRO 141 -22.611 27.830 3.939 734 HG2 PRO 141 HG2 PRO 141 -23.167 29.188 1.709 735 HG3 PRO 141 HG1 PRO 141 -21.602 28.393 1.962 736 HD2 PRO 141 HD2 PRO 141 -23.932 27.476 0.299 737 HD3 PRO 141 HD1 PRO 141 -22.198 27.378 -0.057 738 H THR 142 HN THR 142 -23.330 23.854 4.035 739 HA THR 142 HA THR 142 -26.177 23.525 3.547 740 HB THR 142 HB THR 142 -24.563 21.719 5.317 741 HG1 THR 142 HG1 THR 142 -24.042 20.656 3.246 742 HG21 THR 142 HG21 THR 142 -26.035 20.040 4.445 743 HG22 THR 142 HG22 THR 142 -26.610 21.117 3.173 744 HG23 THR 142 HG23 THR 142 -27.039 21.429 4.855 745 H LEU 143 HN LEU 143 -25.972 21.993 6.313 746 HA LEU 143 HA LEU 143 -27.263 24.113 7.816 747 HB2 LEU 143 HB2 LEU 143 -26.667 21.242 8.571 748 HB3 LEU 143 HB1 LEU 143 -27.696 22.354 9.475 749 HG LEU 143 HG LEU 143 -28.160 21.469 6.612 750 HD11 LEU 143 HD11 LEU 143 -28.807 20.263 9.141 751 HD12 LEU 143 HD12 LEU 143 -29.185 19.686 7.519 752 HD13 LEU 143 HD13 LEU 143 -30.294 20.781 8.346 753 HD21 LEU 143 HD21 LEU 143 -29.440 23.477 8.425 754 HD22 LEU 143 HD22 LEU 143 -30.482 22.555 7.342 755 HD23 LEU 143 HD23 LEU 143 -29.182 23.548 6.682 756 H ARG 144 HN ARG 144 -26.445 25.180 9.555 757 HA ARG 144 HA ARG 144 -23.606 25.191 9.935 758 HB2 ARG 144 HB2 ARG 144 -24.010 26.962 11.496 759 HB3 ARG 144 HB1 ARG 144 -25.137 27.186 10.159 760 HG2 ARG 144 HG2 ARG 144 -26.632 25.588 11.755 761 HG3 ARG 144 HG1 ARG 144 -25.674 26.427 12.978 762 HD2 ARG 144 HD2 ARG 144 -27.527 27.847 12.687 763 HD3 ARG 144 HD1 ARG 144 -26.291 28.583 11.671 764 HE ARG 144 HE ARG 144 -28.091 26.668 10.378 765 HH11 ARG 144 HH11 ARG 144 -27.189 29.939 11.051 766 HH12 ARG 144 HH12 ARG 144 -28.083 30.603 9.725 767 HH21 ARG 144 HH21 ARG 144 -29.271 27.532 8.643 768 HH22 ARG 144 HH22 ARG 144 -29.264 29.240 8.362 769 H ARG 145 HN ARG 145 -22.403 24.442 11.642 770 HA ARG 145 HA ARG 145 -23.805 22.678 13.559 771 HB2 ARG 145 HB2 ARG 145 -21.519 22.185 11.791 772 HB3 ARG 145 HB1 ARG 145 -21.226 21.728 13.469 773 HG2 ARG 145 HG2 ARG 145 -22.832 20.087 13.451 774 HG3 ARG 145 HG1 ARG 145 -23.861 20.961 12.315 775 HD2 ARG 145 HD2 ARG 145 -21.215 19.786 11.466 776 HD3 ARG 145 HD1 ARG 145 -22.696 18.832 11.449 777 HE ARG 145 HE ARG 145 -23.026 21.338 10.094 778 HH11 ARG 145 HH11 ARG 145 -21.759 18.128 9.848 779 HH12 ARG 145 HH12 ARG 145 -21.896 18.058 8.124 780 HH21 ARG 145 HH21 ARG 145 -23.208 21.255 7.832 781 HH22 ARG 145 HH22 ARG 145 -22.715 19.828 6.982 782 H VAL 146 HN VAL 146 -22.811 22.458 15.654 783 HA VAL 146 HA VAL 146 -22.079 24.912 16.812 784 HB VAL 146 HB VAL 146 -21.499 23.545 18.813 785 HG11 VAL 146 HG11 VAL 146 -24.046 23.399 17.301 786 HG12 VAL 146 HG12 VAL 146 -23.745 23.957 18.947 787 HG13 VAL 146 HG13 VAL 146 -23.869 22.230 18.609 788 HG21 VAL 146 HG21 VAL 146 -20.679 21.651 17.212 789 HG22 VAL 146 HG22 VAL 146 -22.369 21.152 17.221 790 HG23 VAL 146 HG23 VAL 146 -21.457 21.206 18.730 791 H ARG 147 HN ARG 147 -20.203 22.450 15.264 792 HA ARG 147 HA ARG 147 -17.677 23.195 16.419 793 HB2 ARG 147 HB2 ARG 147 -18.323 21.600 13.925 794 HB3 ARG 147 HB1 ARG 147 -16.721 21.751 14.651 795 HG2 ARG 147 HG2 ARG 147 -17.609 20.782 16.756 796 HG3 ARG 147 HG1 ARG 147 -19.179 20.574 15.975 797 HD2 ARG 147 HD2 ARG 147 -18.044 19.202 14.213 798 HD3 ARG 147 HD1 ARG 147 -16.564 19.294 15.163 799 HE ARG 147 HE ARG 147 -18.601 18.354 16.849 800 HH11 ARG 147 HH11 ARG 147 -16.841 17.418 14.021 801 HH12 ARG 147 HH12 ARG 147 -16.972 15.719 14.336 802 HH21 ARG 147 HH21 ARG 147 -18.783 16.128 17.263 803 HH22 ARG 147 HH22 ARG 147 -18.070 14.989 16.169 804 H ILE 148 HN ILE 148 -15.980 24.342 15.420 805 HA ILE 148 HA ILE 148 -16.533 26.742 14.222 806 HB ILE 148 HB ILE 148 -14.325 26.170 15.110 807 HG12 ILE 148 HG12 ILE 148 -14.101 26.814 12.159 808 HG13 ILE 148 HG11 ILE 148 -14.658 27.980 13.361 809 HG21 ILE 148 HG21 ILE 148 -14.615 23.932 13.378 810 HG22 ILE 148 HG22 ILE 148 -13.290 24.277 14.489 811 HG23 ILE 148 HG23 ILE 148 -13.213 24.847 12.822 812 HD11 ILE 148 HD11 ILE 148 -12.568 28.329 14.149 813 HD12 ILE 148 HD12 ILE 148 -12.021 27.554 12.662 814 HD13 ILE 148 HD13 ILE 148 -12.189 26.606 14.140 815 H SER 149 HN SER 149 -17.895 26.896 12.509 816 HA SER 149 HA SER 149 -18.438 25.232 10.454 817 HB2 SER 149 HB2 SER 149 -19.109 27.772 10.940 818 HB3 SER 149 HB1 SER 149 -17.939 28.052 9.654 819 HG SER 149 HG SER 149 -20.385 26.688 9.608 820 H ALA 150 HN ALA 150 -16.904 23.970 9.538 821 HA ALA 150 HA ALA 150 -14.274 24.735 8.904 822 HB1 ALA 150 HB1 ALA 150 -15.481 22.373 8.979 823 HB2 ALA 150 HB2 ALA 150 -14.051 22.636 7.980 824 HB3 ALA 150 HB3 ALA 150 -15.656 22.670 7.249 825 H ASP 151 HN ASP 151 -17.253 24.795 6.994 826 HA ASP 151 HA ASP 151 -16.342 25.294 4.462 827 HB2 ASP 151 HB2 ASP 151 -18.771 25.440 5.700 828 HB3 ASP 151 HB1 ASP 151 -18.479 27.134 5.295 829 H ALA 152 HN ALA 152 -17.496 28.054 6.338 830 HA ALA 152 HA ALA 152 -15.948 29.932 4.938 831 HB1 ALA 152 HB1 ALA 152 -17.943 29.978 6.893 832 HB2 ALA 152 HB2 ALA 152 -17.221 31.363 6.069 833 HB3 ALA 152 HB3 ALA 152 -16.562 30.815 7.612 834 H MET 153 HN MET 153 -15.336 28.120 7.895 835 HA MET 153 HA MET 153 -13.222 29.482 8.995 836 HB2 MET 153 HB2 MET 153 -14.030 27.512 10.088 837 HB3 MET 153 HB1 MET 153 -13.698 26.509 8.677 838 HG2 MET 153 HG2 MET 153 -11.241 27.098 8.982 839 HG3 MET 153 HG1 MET 153 -11.685 27.801 10.539 840 HE1 MET 153 HE1 MET 153 -9.779 24.896 11.511 841 HE2 MET 153 HE2 MET 153 -9.647 26.127 10.256 842 HE3 MET 153 HE3 MET 153 -9.854 24.439 9.802 843 H MET 154 HN MET 154 -13.028 27.008 6.432 844 HA MET 154 HA MET 154 -10.232 27.400 6.018 845 HB2 MET 154 HB2 MET 154 -12.409 25.899 4.671 846 HB3 MET 154 HB1 MET 154 -10.973 26.274 3.719 847 HG2 MET 154 HG2 MET 154 -9.877 25.436 6.095 848 HG3 MET 154 HG1 MET 154 -11.291 24.389 5.954 849 HE1 MET 154 HE1 MET 154 -8.386 25.940 4.661 850 HE2 MET 154 HE2 MET 154 -7.898 25.170 3.151 851 HE3 MET 154 HE3 MET 154 -7.431 24.447 4.689 852 H GLN 155 HN GLN 155 -13.150 28.835 4.736 853 HA GLN 155 HA GLN 155 -12.101 30.003 2.406 854 HB2 GLN 155 HB2 GLN 155 -14.312 30.938 4.248 855 HB3 GLN 155 HB1 GLN 155 -13.959 31.663 2.681 856 HG2 GLN 155 HG2 GLN 155 -14.216 29.368 1.673 857 HG3 GLN 155 HG1 GLN 155 -14.827 28.832 3.236 858 HE21 GLN 155 HE21 GLN 155 -15.656 32.094 2.590 859 HE22 GLN 155 HE22 GLN 155 -17.250 31.818 2.074 860 H ALA 156 HN ALA 156 -12.235 31.165 5.752 861 HA ALA 156 HA ALA 156 -11.141 33.730 5.272 862 HB1 ALA 156 HB1 ALA 156 -11.797 32.070 7.584 863 HB2 ALA 156 HB2 ALA 156 -11.854 33.826 7.409 864 HB3 ALA 156 HB3 ALA 156 -10.339 33.032 7.838 865 H LEU 157 HN LEU 157 -9.670 30.628 6.166 866 HA LEU 157 HA LEU 157 -7.010 31.610 6.405 867 HB2 LEU 157 HB2 LEU 157 -7.359 28.828 5.490 868 HB3 LEU 157 HB1 LEU 157 -6.434 29.458 6.850 869 HG LEU 157 HG LEU 157 -9.420 29.054 6.705 870 HD11 LEU 157 HD11 LEU 157 -7.161 27.734 8.158 871 HD12 LEU 157 HD12 LEU 157 -8.500 27.002 7.270 872 HD13 LEU 157 HD13 LEU 157 -8.786 27.730 8.849 873 HD21 LEU 157 HD21 LEU 157 -8.039 31.052 8.115 874 HD22 LEU 157 HD22 LEU 157 -8.395 29.806 9.312 875 HD23 LEU 157 HD23 LEU 157 -9.702 30.529 8.369 876 H LEU 158 HN LEU 158 -8.786 30.131 3.719 877 HA LEU 158 HA LEU 158 -6.517 30.273 1.951 878 HB2 LEU 158 HB2 LEU 158 -9.424 29.741 1.320 879 HB3 LEU 158 HB1 LEU 158 -8.061 29.464 0.240 880 HG LEU 158 HG LEU 158 -8.529 28.126 2.899 881 HD11 LEU 158 HD11 LEU 158 -8.334 26.133 1.045 882 HD12 LEU 158 HD12 LEU 158 -9.104 27.403 0.091 883 HD13 LEU 158 HD13 LEU 158 -9.865 26.837 1.578 884 HD21 LEU 158 HD21 LEU 158 -6.533 26.814 2.407 885 HD22 LEU 158 HD22 LEU 158 -6.131 28.529 2.445 886 HD23 LEU 158 HD23 LEU 158 -6.299 27.698 0.897 887 H GLY 159 HN GLY 159 -8.710 32.540 3.121 888 HA2 GLY 159 HA2 GLY 159 -9.178 34.711 2.512 889 HA3 GLY 159 HA1 GLY 159 -7.757 34.621 1.476 890 H ALA 160 HN ALA 160 -10.507 32.466 1.152 891 HA ALA 160 HA ALA 160 -12.075 32.204 -0.511 892 HB1 ALA 160 HB1 ALA 160 -11.445 35.117 -1.051 893 HB2 ALA 160 HB2 ALA 160 -12.755 34.499 -0.043 894 HB3 ALA 160 HB3 ALA 160 -12.773 34.218 -1.784 895 H ARG 161 HN ARG 161 -9.138 31.798 -0.903 896 HA ARG 161 HA ARG 161 -8.367 32.536 -3.514 897 HB2 ARG 161 HB2 ARG 161 -7.412 30.752 -1.414 898 HB3 ARG 161 HB1 ARG 161 -7.119 30.103 -3.025 899 HG2 ARG 161 HG2 ARG 161 -5.915 32.065 -3.693 900 HG3 ARG 161 HG1 ARG 161 -6.424 32.946 -2.252 901 HD2 ARG 161 HD2 ARG 161 -4.838 30.391 -2.061 902 HD3 ARG 161 HD1 ARG 161 -4.046 31.953 -2.256 903 HE ARG 161 HE ARG 161 -5.826 32.239 -0.139 904 HH11 ARG 161 HH11 ARG 161 -3.076 30.315 -0.975 905 HH12 ARG 161 HH12 ARG 161 -2.531 30.138 0.659 906 HH21 ARG 161 HH21 ARG 161 -5.120 32.012 2.005 907 HH22 ARG 161 HH22 ARG 161 -3.688 31.099 2.348 908 H ALA 162 HN ALA 162 -9.294 31.992 -5.364 909 HA ALA 162 HA ALA 162 -10.488 30.835 -6.952 910 HB1 ALA 162 HB1 ALA 162 -8.490 29.134 -5.942 911 HB2 ALA 162 HB2 ALA 162 -9.346 28.978 -7.475 912 HB3 ALA 162 HB3 ALA 162 -9.949 28.149 -6.041 913 H LYS 163 HN LYS 163 -11.583 31.244 -4.089 914 HA LYS 163 HA LYS 163 -13.961 29.564 -4.500 915 HB2 LYS 163 HB2 LYS 163 -12.064 29.232 -2.380 916 HB3 LYS 163 HB1 LYS 163 -13.580 29.823 -1.698 917 HG2 LYS 163 HG2 LYS 163 -14.204 27.634 -1.777 918 HG3 LYS 163 HG1 LYS 163 -14.492 27.963 -3.485 919 HD2 LYS 163 HD2 LYS 163 -12.305 27.144 -4.088 920 HD3 LYS 163 HD1 LYS 163 -11.831 27.012 -2.395 921 HE2 LYS 163 HE2 LYS 163 -13.761 25.377 -2.107 922 HE3 LYS 163 HE1 LYS 163 -13.902 25.368 -3.865 923 HZ1 LYS 163 HZ1 LYS 163 -11.278 24.903 -2.632 924 HZ2 LYS 163 HZ2 LYS 163 -11.885 24.348 -4.119 925 HZ3 LYS 163 HZ3 LYS 163 -12.405 23.637 -2.667 926 H GLY 164 HN GLY 164 -15.526 31.001 -4.844 927 HA2 GLY 164 HA2 GLY 164 -17.117 32.518 -3.833 928 HA3 GLY 164 HA1 GLY 164 -15.778 33.275 -2.976 929 H HIS 165 HN HIS 165 -17.715 34.632 -4.600 930 HA HIS 165 HA HIS 165 -16.218 36.484 -5.950 931 HB2 HIS 165 HB2 HIS 165 -16.383 34.005 -7.449 932 HB3 HIS 165 HB1 HIS 165 -17.100 35.343 -8.348 933 HD2 HIS 165 HD2 HIS 165 -14.847 35.684 -10.046 934 HE1 HIS 165 HE1 HIS 165 -12.125 36.691 -6.978 935 HE2 HIS 165 HE2 HIS 165 -12.456 36.577 -9.494 936 H HIS 166 HN HIS 166 -19.149 34.596 -5.862 937 HA HIS 166 HA HIS 166 -20.817 36.384 -7.312 938 HB2 HIS 166 HB2 HIS 166 -22.668 35.129 -6.386 939 HB3 HIS 166 HB1 HIS 166 -21.383 34.000 -6.815 940 HD2 HIS 166 HD2 HIS 166 -23.330 35.152 -3.669 941 HE1 HIS 166 HE1 HIS 166 -20.229 32.613 -2.345 942 HE2 HIS 166 HE2 HIS 166 -22.341 33.836 -1.643 943 H HIS 167 HN HIS 167 -22.919 37.108 -5.890 944 HA HIS 167 HA HIS 167 -22.590 39.490 -4.815 945 HB2 HIS 167 HB2 HIS 167 -24.640 37.718 -4.692 946 HB3 HIS 167 HB1 HIS 167 -24.188 37.798 -2.989 947 HD2 HIS 167 HD2 HIS 167 -23.335 41.207 -4.097 948 HE1 HIS 167 HE1 HIS 167 -27.487 41.455 -3.368 949 HE2 HIS 167 HE2 HIS 167 -25.372 42.806 -3.755 950 H HIS 168 HN HIS 168 -22.010 40.486 -2.874 951 HA HIS 168 HA HIS 168 -19.747 39.585 -1.566 952 HB2 HIS 168 HB2 HIS 168 -21.303 41.861 -1.470 953 HB3 HIS 168 HB1 HIS 168 -21.492 41.194 0.153 954 HD2 HIS 168 HD2 HIS 168 -18.937 43.236 -1.806 955 HE1 HIS 168 HE1 HIS 168 -16.834 41.646 1.490 956 HE2 HIS 168 HE2 HIS 168 -16.730 43.322 -0.416 957 H HIS 169 HN HIS 169 -19.327 38.448 0.286 958 HA HIS 169 HA HIS 169 -21.343 36.569 1.136 959 HB2 HIS 169 HB2 HIS 169 -19.562 35.641 2.549 960 HB3 HIS 169 HB1 HIS 169 -19.001 35.876 0.894 961 HD2 HIS 169 HD2 HIS 169 -16.957 37.792 0.597 962 HE1 HIS 169 HE1 HIS 169 -16.689 38.854 4.673 963 HE2 HIS 169 HE2 HIS 169 -15.612 39.129 2.390 964 H HIS 170 HN HIS 170 -20.931 39.700 1.890 965 HA HIS 170 HA HIS 170 -22.045 40.920 3.534 966 HB2 HIS 170 HB2 HIS 170 -22.960 38.342 4.076 967 HB3 HIS 170 HB1 HIS 170 -22.245 38.880 5.597 968 HD2 HIS 170 HD2 HIS 170 -25.197 39.887 3.194 969 HE1 HIS 170 HE1 HIS 170 -25.546 42.147 6.743 970 HE2 HIS 170 HE2 HIS 170 -26.678 41.559 4.547 971 H17 V8Y 201 H17 A7 201 -15.459 24.862 16.651 972 H21 V8Y 201 H21 A7 201 -15.336 22.498 18.502 973 H3 V8Y 201 H3 A7 201 -15.187 20.025 18.565 974 H4 V8Y 201 H4 A7 201 -13.108 18.874 17.814 975 H6 V8Y 201 H6 A7 201 -8.822 20.397 16.080 976 H7 V8Y 201 H7 A7 201 -9.016 22.874 16.036 977 H8 V8Y 201 H8 A7 201 -11.102 23.980 16.789 978 H11 V8Y 201 H11 A7 201 -15.558 26.944 17.436 979 H8L V8Y 201 H8L A7 201 -14.913 26.436 19.001 980 H12 V8Y 201 H12 A7 201 -17.002 25.479 19.667 981 H8M V8Y 201 H8M A7 201 -17.618 25.500 17.996 982 H13 V8Y 201 H13 A7 201 -16.833 28.151 19.064 983 H8O V8Y 201 H8O A7 201 -18.212 27.354 19.898 984 H14 V8Y 201 H14 A7 201 -18.804 27.002 17.221 985 H8N V8Y 201 H8N A7 201 -18.074 28.648 17.297 986 H15 V8Y 201 H15 A7 201 -19.776 28.783 19.391 987 H8P V8Y 201 H8P A7 201 -20.661 27.651 18.331 988 H16 V8Y 201 H16 A7 201 -19.703 29.725 16.651 989 H8Q V8Y 201 H8Q A7 201 -20.353 30.523 18.101 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -4.206 9.560 19.207 2 H2 MET 1 HT2 MET 1 -4.578 8.254 18.186 3 H3 MET 1 HT3 MET 1 -5.824 9.119 18.949 4 HA MET 1 HA MET 1 -5.190 11.116 17.694 5 HB2 MET 1 HB2 MET 1 -2.975 9.351 17.023 6 HB3 MET 1 HB1 MET 1 -3.749 9.987 15.572 7 HG2 MET 1 HG2 MET 1 -3.671 12.250 17.021 8 HG3 MET 1 HG1 MET 1 -2.281 11.423 17.725 9 HE1 MET 1 HE1 MET 1 -4.157 12.220 14.588 10 HE2 MET 1 HE2 MET 1 -2.960 12.825 13.447 11 HE3 MET 1 HE3 MET 1 -3.354 13.769 14.880 12 H ASP 2 HN ASP 2 -6.975 8.674 17.864 13 HA ASP 2 HA ASP 2 -8.581 7.579 16.614 14 HB2 ASP 2 HB2 ASP 2 -8.608 10.425 15.627 15 HB3 ASP 2 HB1 ASP 2 -9.718 9.230 14.965 16 H ASP 3 HN ASP 3 -7.433 5.997 15.509 17 HA ASP 3 HA ASP 3 -5.797 6.354 13.264 18 HB2 ASP 3 HB2 ASP 3 -7.570 3.992 13.722 19 HB3 ASP 3 HB1 ASP 3 -6.027 4.023 12.891 20 H ILE 4 HN ILE 4 -9.304 5.865 13.481 21 HA ILE 4 HA ILE 4 -9.916 5.550 10.789 22 HB ILE 4 HB ILE 4 -11.563 5.369 12.617 23 HG12 ILE 4 HG12 ILE 4 -12.022 6.095 10.088 24 HG13 ILE 4 HG11 ILE 4 -13.332 5.977 11.267 25 HG21 ILE 4 HG21 ILE 4 -12.496 7.397 13.620 26 HG22 ILE 4 HG22 ILE 4 -11.395 8.390 12.670 27 HG23 ILE 4 HG23 ILE 4 -10.760 7.322 13.918 28 HD11 ILE 4 HD11 ILE 4 -13.352 8.129 9.958 29 HD12 ILE 4 HD12 ILE 4 -11.798 8.527 10.692 30 HD13 ILE 4 HD13 ILE 4 -13.231 8.359 11.703 31 H TYR 5 HN TYR 5 -9.533 8.565 12.648 32 HA TYR 5 HA TYR 5 -9.956 10.285 10.394 33 HB2 TYR 5 HB2 TYR 5 -8.636 10.811 13.049 34 HB3 TYR 5 HB1 TYR 5 -9.060 12.053 11.883 35 HD1 TYR 5 HD1 TYR 5 -10.168 11.985 14.687 36 HD2 TYR 5 HD2 TYR 5 -11.605 10.243 11.044 37 HE1 TYR 5 HE1 TYR 5 -12.460 12.030 15.566 38 HE2 TYR 5 HE2 TYR 5 -13.919 10.294 11.930 39 HH TYR 5 HH TYR 5 -15.158 10.569 13.811 40 H LYS 6 HN LYS 6 -7.190 8.697 11.856 41 HA LYS 6 HA LYS 6 -5.092 10.134 10.642 42 HB2 LYS 6 HB2 LYS 6 -4.850 8.369 12.435 43 HB3 LYS 6 HB1 LYS 6 -5.160 7.141 11.201 44 HG2 LYS 6 HG2 LYS 6 -2.817 7.260 11.178 45 HG3 LYS 6 HG1 LYS 6 -3.243 8.386 9.889 46 HD2 LYS 6 HD2 LYS 6 -3.183 9.607 12.568 47 HD3 LYS 6 HD1 LYS 6 -1.620 9.005 12.018 48 HE2 LYS 6 HE2 LYS 6 -2.279 10.213 9.768 49 HE3 LYS 6 HE1 LYS 6 -3.357 11.141 10.813 50 HZ1 LYS 6 HZ1 LYS 6 -0.714 11.637 10.413 51 HZ2 LYS 6 HZ2 LYS 6 -0.724 10.831 11.909 52 HZ3 LYS 6 HZ3 LYS 6 -1.650 12.240 11.693 53 H ALA 7 HN ALA 7 -7.011 7.361 9.526 54 HA ALA 7 HA ALA 7 -5.699 7.047 7.002 55 HB1 ALA 7 HB1 ALA 7 -8.149 6.017 8.311 56 HB2 ALA 7 HB2 ALA 7 -6.931 5.175 7.345 57 HB3 ALA 7 HB3 ALA 7 -8.204 6.099 6.549 58 H ALA 8 HN ALA 8 -8.345 9.036 8.215 59 HA ALA 8 HA ALA 8 -9.437 9.944 5.784 60 HB1 ALA 8 HB1 ALA 8 -9.599 12.145 7.422 61 HB2 ALA 8 HB2 ALA 8 -9.410 10.840 8.600 62 HB3 ALA 8 HB3 ALA 8 -10.739 10.796 7.434 63 H VAL 9 HN VAL 9 -6.646 11.070 7.668 64 HA VAL 9 HA VAL 9 -6.034 13.349 6.107 65 HB VAL 9 HB VAL 9 -4.238 11.548 7.751 66 HG11 VAL 9 HG11 VAL 9 -2.508 12.730 6.926 67 HG12 VAL 9 HG12 VAL 9 -3.236 14.201 7.571 68 HG13 VAL 9 HG13 VAL 9 -3.605 13.683 5.926 69 HG21 VAL 9 HG21 VAL 9 -5.872 12.548 9.159 70 HG22 VAL 9 HG22 VAL 9 -5.752 14.087 8.314 71 HG23 VAL 9 HG23 VAL 9 -4.423 13.541 9.337 72 H GLU 10 HN GLU 10 -4.929 9.977 5.961 73 HA GLU 10 HA GLU 10 -3.238 10.352 3.666 74 HB2 GLU 10 HB2 GLU 10 -2.888 8.486 5.210 75 HB3 GLU 10 HB1 GLU 10 -4.467 7.814 4.785 76 HG2 GLU 10 HG2 GLU 10 -3.713 7.659 2.424 77 HG3 GLU 10 HG1 GLU 10 -2.126 8.249 2.905 78 H GLN 11 HN GLN 11 -6.624 9.844 4.136 79 HA GLN 11 HA GLN 11 -7.217 8.758 1.566 80 HB2 GLN 11 HB2 GLN 11 -8.712 9.719 3.898 81 HB3 GLN 11 HB1 GLN 11 -9.535 9.984 2.369 82 HG2 GLN 11 HG2 GLN 11 -8.267 7.324 2.726 83 HG3 GLN 11 HG1 GLN 11 -9.679 7.652 3.729 84 HE21 GLN 11 HE21 GLN 11 -8.572 7.351 0.360 85 HE22 GLN 11 HE22 GLN 11 -10.126 7.217 -0.311 86 H LEU 12 HN LEU 12 -6.994 12.016 2.874 87 HA LEU 12 HA LEU 12 -8.230 13.389 0.752 88 HB2 LEU 12 HB2 LEU 12 -5.951 14.359 2.496 89 HB3 LEU 12 HB1 LEU 12 -7.076 15.368 1.588 90 HG LEU 12 HG LEU 12 -7.639 13.631 3.993 91 HD11 LEU 12 HD11 LEU 12 -7.826 15.569 5.090 92 HD12 LEU 12 HD12 LEU 12 -8.837 16.269 3.829 93 HD13 LEU 12 HD13 LEU 12 -7.080 16.326 3.683 94 HD21 LEU 12 HD21 LEU 12 -9.437 13.070 2.521 95 HD22 LEU 12 HD22 LEU 12 -9.541 14.718 1.902 96 HD23 LEU 12 HD23 LEU 12 -10.076 14.359 3.543 97 H THR 13 HN THR 13 -7.643 13.643 -1.295 98 HA THR 13 HA THR 13 -5.303 12.540 -2.400 99 HB THR 13 HB THR 13 -7.073 12.805 -3.911 100 HG1 THR 13 HG1 THR 13 -5.264 13.429 -4.980 101 HG21 THR 13 HG21 THR 13 -8.442 14.359 -2.690 102 HG22 THR 13 HG22 THR 13 -8.143 15.067 -4.277 103 HG23 THR 13 HG23 THR 13 -7.244 15.636 -2.875 104 H GLU 14 HN GLU 14 -3.957 14.116 -3.961 105 HA GLU 14 HA GLU 14 -2.207 15.538 -2.291 106 HB2 GLU 14 HB2 GLU 14 -1.468 14.665 -4.421 107 HB3 GLU 14 HB1 GLU 14 -2.608 15.699 -5.283 108 HG2 GLU 14 HG2 GLU 14 -0.346 16.676 -5.322 109 HG3 GLU 14 HG1 GLU 14 -1.455 17.699 -4.412 110 H GLU 15 HN GLU 15 -4.698 16.725 -4.547 111 HA GLU 15 HA GLU 15 -4.277 19.474 -4.009 112 HB2 GLU 15 HB2 GLU 15 -5.492 18.582 -5.997 113 HB3 GLU 15 HB1 GLU 15 -6.826 18.135 -4.929 114 HG2 GLU 15 HG2 GLU 15 -7.089 20.478 -4.247 115 HG3 GLU 15 HG1 GLU 15 -5.734 20.940 -5.277 116 H GLN 16 HN GLN 16 -6.541 17.099 -2.664 117 HA GLN 16 HA GLN 16 -8.033 18.823 -1.061 118 HB2 GLN 16 HB2 GLN 16 -7.460 15.911 -1.071 119 HB3 GLN 16 HB1 GLN 16 -8.080 16.580 0.436 120 HG2 GLN 16 HG2 GLN 16 -9.845 17.742 -1.094 121 HG3 GLN 16 HG1 GLN 16 -9.367 16.531 -2.276 122 HE21 GLN 16 HE21 GLN 16 -9.191 14.179 -1.076 123 HE22 GLN 16 HE22 GLN 16 -10.555 13.796 -0.143 124 H LYS 17 HN LYS 17 -5.147 16.909 -0.209 125 HA LYS 17 HA LYS 17 -4.933 17.889 2.439 126 HB2 LYS 17 HB2 LYS 17 -3.720 15.903 1.065 127 HB3 LYS 17 HB1 LYS 17 -2.447 17.122 1.025 128 HG2 LYS 17 HG2 LYS 17 -2.580 17.364 3.472 129 HG3 LYS 17 HG1 LYS 17 -3.862 16.149 3.535 130 HD2 LYS 17 HD2 LYS 17 -1.054 15.672 2.471 131 HD3 LYS 17 HD1 LYS 17 -1.633 15.180 4.063 132 HE2 LYS 17 HE2 LYS 17 -3.407 13.817 2.965 133 HE3 LYS 17 HE1 LYS 17 -2.735 14.250 1.393 134 HZ1 LYS 17 HZ1 LYS 17 -1.382 12.534 1.625 135 HZ2 LYS 17 HZ2 LYS 17 -1.857 12.278 3.236 136 HZ3 LYS 17 HZ3 LYS 17 -0.603 13.367 2.880 137 H ASN 18 HN ASN 18 -3.787 19.062 -0.672 138 HA ASN 18 HA ASN 18 -1.899 20.951 0.238 139 HB2 ASN 18 HB2 ASN 18 -2.284 20.208 -2.166 140 HB3 ASN 18 HB1 ASN 18 -3.705 21.246 -2.178 141 HD21 ASN 18 HD21 ASN 18 -1.183 21.571 -3.762 142 HD22 ASN 18 HD22 ASN 18 -0.580 23.099 -3.341 143 H GLU 19 HN GLU 19 -5.396 21.251 -0.423 144 HA GLU 19 HA GLU 19 -5.602 24.003 0.264 145 HB2 GLU 19 HB2 GLU 19 -7.421 21.809 -0.365 146 HB3 GLU 19 HB1 GLU 19 -8.079 22.905 0.839 147 HG2 GLU 19 HG2 GLU 19 -8.141 24.666 -0.610 148 HG3 GLU 19 HG1 GLU 19 -6.732 24.125 -1.515 149 H PHE 20 HN PHE 20 -6.142 21.015 2.110 150 HA PHE 20 HA PHE 20 -6.906 22.253 4.534 151 HB2 PHE 20 HB2 PHE 20 -5.617 19.564 3.979 152 HB3 PHE 20 HB1 PHE 20 -6.200 20.051 5.566 153 HD1 PHE 20 HD1 PHE 20 -7.093 18.172 2.835 154 HD2 PHE 20 HD2 PHE 20 -8.671 21.300 5.321 155 HE1 PHE 20 HE1 PHE 20 -9.393 17.520 2.194 156 HE2 PHE 20 HE2 PHE 20 -10.976 20.640 4.685 157 HZ PHE 20 HZ PHE 20 -11.337 18.749 3.122 158 H LYS 21 HN LYS 21 -3.775 21.400 3.150 159 HA LYS 21 HA LYS 21 -2.151 21.828 5.399 160 HB2 LYS 21 HB2 LYS 21 -1.362 20.824 3.262 161 HB3 LYS 21 HB1 LYS 21 -1.482 22.410 2.500 162 HG2 LYS 21 HG2 LYS 21 0.818 22.081 3.193 163 HG3 LYS 21 HG1 LYS 21 0.094 23.294 4.249 164 HD2 LYS 21 HD2 LYS 21 -0.350 21.553 5.949 165 HD3 LYS 21 HD1 LYS 21 0.381 20.346 4.880 166 HE2 LYS 21 HE2 LYS 21 2.524 21.569 4.952 167 HE3 LYS 21 HE1 LYS 21 1.798 22.784 6.002 168 HZ1 LYS 21 HZ1 LYS 21 1.735 21.369 7.765 169 HZ2 LYS 21 HZ2 LYS 21 3.121 20.772 6.984 170 HZ3 LYS 21 HZ3 LYS 21 1.632 19.974 6.806 171 H ALA 22 HN ALA 22 -3.463 24.070 2.985 172 HA ALA 22 HA ALA 22 -2.055 26.387 3.755 173 HB1 ALA 22 HB1 ALA 22 -3.404 26.228 1.691 174 HB2 ALA 22 HB2 ALA 22 -3.879 27.621 2.664 175 HB3 ALA 22 HB3 ALA 22 -4.872 26.162 2.664 176 H ALA 23 HN ALA 23 -5.099 24.973 4.908 177 HA ALA 23 HA ALA 23 -5.808 27.041 6.717 178 HB1 ALA 23 HB1 ALA 23 -6.566 24.216 6.293 179 HB2 ALA 23 HB2 ALA 23 -7.586 25.634 6.540 180 HB3 ALA 23 HB3 ALA 23 -6.825 24.840 7.921 181 H PHE 24 HN PHE 24 -3.743 24.196 7.035 182 HA PHE 24 HA PHE 24 -3.318 24.262 9.792 183 HB2 PHE 24 HB2 PHE 24 -2.491 22.361 8.767 184 HB3 PHE 24 HB1 PHE 24 -1.712 23.260 7.474 185 HD1 PHE 24 HD1 PHE 24 -1.536 22.553 11.149 186 HD2 PHE 24 HD2 PHE 24 0.538 23.948 7.651 187 HE1 PHE 24 HE1 PHE 24 0.589 22.583 12.417 188 HE2 PHE 24 HE2 PHE 24 2.665 23.972 8.924 189 HZ PHE 24 HZ PHE 24 2.690 23.290 11.307 190 H ASP 25 HN ASP 25 -1.453 25.784 7.162 191 HA ASP 25 HA ASP 25 0.476 27.043 8.782 192 HB2 ASP 25 HB2 ASP 25 0.642 26.744 6.308 193 HB3 ASP 25 HB1 ASP 25 -0.572 28.006 6.121 194 H ILE 26 HN ILE 26 -2.684 28.128 7.610 195 HA ILE 26 HA ILE 26 -2.556 30.791 8.453 196 HB ILE 26 HB ILE 26 -4.803 28.864 8.008 197 HG12 ILE 26 HG12 ILE 26 -5.059 31.313 6.616 198 HG13 ILE 26 HG11 ILE 26 -3.358 30.870 6.525 199 HG21 ILE 26 HG21 ILE 26 -4.874 31.249 9.684 200 HG22 ILE 26 HG22 ILE 26 -6.105 30.011 9.437 201 HG23 ILE 26 HG23 ILE 26 -5.978 31.365 8.314 202 HD11 ILE 26 HD11 ILE 26 -5.518 29.777 5.037 203 HD12 ILE 26 HD12 ILE 26 -4.943 28.519 6.130 204 HD13 ILE 26 HD13 ILE 26 -3.824 29.285 5.006 205 H PHE 27 HN PHE 27 -3.634 27.895 10.199 206 HA PHE 27 HA PHE 27 -4.422 29.215 12.564 207 HB2 PHE 27 HB2 PHE 27 -3.711 26.409 11.835 208 HB3 PHE 27 HB1 PHE 27 -3.826 26.843 13.538 209 HD1 PHE 27 HD1 PHE 27 -5.683 27.031 10.339 210 HD2 PHE 27 HD2 PHE 27 -5.896 27.012 14.609 211 HE1 PHE 27 HE1 PHE 27 -8.151 26.901 10.210 212 HE2 PHE 27 HE2 PHE 27 -8.371 26.899 14.495 213 HZ PHE 27 HZ PHE 27 -9.500 26.845 12.290 214 H VAL 28 HN VAL 28 -1.333 27.902 11.468 215 HA VAL 28 HA VAL 28 -0.043 28.869 13.931 216 HB VAL 28 HB VAL 28 1.927 27.513 13.042 217 HG11 VAL 28 HG11 VAL 28 -0.663 26.554 14.108 218 HG12 VAL 28 HG12 VAL 28 0.957 26.400 14.777 219 HG13 VAL 28 HG13 VAL 28 0.424 25.309 13.499 220 HG21 VAL 28 HG21 VAL 28 0.302 27.390 10.784 221 HG22 VAL 28 HG22 VAL 28 0.134 25.793 11.512 222 HG23 VAL 28 HG23 VAL 28 1.735 26.403 11.083 223 H LEU 29 HN LEU 29 -0.920 30.429 11.467 224 HA LEU 29 HA LEU 29 1.266 31.234 9.931 225 HB2 LEU 29 HB2 LEU 29 -1.324 31.898 9.912 226 HB3 LEU 29 HB1 LEU 29 -0.707 33.305 10.773 227 HG LEU 29 HG LEU 29 1.066 32.785 8.607 228 HD11 LEU 29 HD11 LEU 29 -0.365 32.826 6.691 229 HD12 LEU 29 HD12 LEU 29 -1.801 33.104 7.680 230 HD13 LEU 29 HD13 LEU 29 -0.988 31.540 7.725 231 HD21 LEU 29 HD21 LEU 29 0.984 35.023 8.927 232 HD22 LEU 29 HD22 LEU 29 -0.585 34.917 9.726 233 HD23 LEU 29 HD23 LEU 29 -0.496 35.008 7.967 234 H GLY 30 HN GLY 30 3.177 31.631 10.929 235 HA2 GLY 30 HA2 GLY 30 4.616 33.341 11.785 236 HA3 GLY 30 HA1 GLY 30 3.271 33.951 12.743 237 H ALA 31 HN ALA 31 3.253 30.630 12.896 238 HA ALA 31 HA ALA 31 4.016 30.570 15.641 239 HB1 ALA 31 HB1 ALA 31 2.355 29.005 14.786 240 HB2 ALA 31 HB2 ALA 31 3.745 28.108 15.405 241 HB3 ALA 31 HB3 ALA 31 3.539 28.325 13.667 242 H GLU 32 HN GLU 32 5.885 29.925 16.605 243 HA GLU 32 HA GLU 32 8.299 30.110 15.130 244 HB2 GLU 32 HB2 GLU 32 7.701 29.182 17.935 245 HB3 GLU 32 HB1 GLU 32 9.337 29.298 17.289 246 HG2 GLU 32 HG2 GLU 32 7.380 31.608 17.284 247 HG3 GLU 32 HG1 GLU 32 8.560 31.340 18.567 248 H ASP 33 HN ASP 33 6.517 27.355 16.475 249 HA ASP 33 HA ASP 33 8.444 25.516 15.228 250 HB2 ASP 33 HB2 ASP 33 7.394 23.789 16.591 251 HB3 ASP 33 HB1 ASP 33 7.840 25.161 17.605 252 H GLY 34 HN GLY 34 5.373 26.890 14.728 253 HA2 GLY 34 HA2 GLY 34 4.098 26.689 12.769 254 HA3 GLY 34 HA1 GLY 34 4.951 25.200 12.384 255 H SER 35 HN SER 35 4.292 24.693 15.473 256 HA SER 35 HA SER 35 2.050 22.973 14.918 257 HB2 SER 35 HB2 SER 35 2.302 22.211 17.149 258 HB3 SER 35 HB1 SER 35 3.927 22.531 16.582 259 HG SER 35 HG SER 35 2.482 24.587 17.823 260 H ILE 36 HN ILE 36 -0.074 23.324 15.329 261 HA ILE 36 HA ILE 36 -0.937 26.006 15.859 262 HB ILE 36 HB ILE 36 -2.424 23.409 15.516 263 HG12 ILE 36 HG12 ILE 36 -2.301 25.849 13.739 264 HG13 ILE 36 HG11 ILE 36 -1.258 24.443 13.537 265 HG21 ILE 36 HG21 ILE 36 -4.266 25.398 15.125 266 HG22 ILE 36 HG22 ILE 36 -3.342 26.023 16.492 267 HG23 ILE 36 HG23 ILE 36 -4.123 24.438 16.602 268 HD11 ILE 36 HD11 ILE 36 -4.168 24.738 12.990 269 HD12 ILE 36 HD12 ILE 36 -3.642 23.194 13.661 270 HD13 ILE 36 HD13 ILE 36 -2.955 23.777 12.144 271 H SER 37 HN SER 37 -0.699 26.800 17.839 272 HA SER 37 HA SER 37 -1.413 25.136 20.153 273 HB2 SER 37 HB2 SER 37 0.792 26.231 20.233 274 HB3 SER 37 HB1 SER 37 0.007 27.795 20.053 275 HG SER 37 HG SER 37 0.411 27.274 22.250 276 H THR 38 HN THR 38 -2.744 26.080 21.843 277 HA THR 38 HA THR 38 -5.208 26.914 21.129 278 HB THR 38 HB THR 38 -5.100 28.265 23.404 279 HG1 THR 38 HG1 THR 38 -2.959 28.319 23.754 280 HG21 THR 38 HG21 THR 38 -5.671 25.627 22.620 281 HG22 THR 38 HG22 THR 38 -6.146 26.418 24.130 282 HG23 THR 38 HG23 THR 38 -4.653 25.478 24.060 283 H LYS 39 HN LYS 39 -2.441 29.066 21.699 284 HA LYS 39 HA LYS 39 -3.847 31.493 21.231 285 HB2 LYS 39 HB2 LYS 39 -0.913 30.779 21.022 286 HB3 LYS 39 HB1 LYS 39 -1.540 32.420 20.860 287 HG2 LYS 39 HG2 LYS 39 -2.535 32.275 23.109 288 HG3 LYS 39 HG1 LYS 39 -1.928 30.627 23.274 289 HD2 LYS 39 HD2 LYS 39 0.382 31.432 23.057 290 HD3 LYS 39 HD1 LYS 39 -0.200 33.086 22.858 291 HE2 LYS 39 HE2 LYS 39 -1.221 32.997 25.102 292 HE3 LYS 39 HE1 LYS 39 -0.645 31.343 25.302 293 HZ1 LYS 39 HZ1 LYS 39 1.522 32.019 25.473 294 HZ2 LYS 39 HZ2 LYS 39 0.734 33.329 26.214 295 HZ3 LYS 39 HZ3 LYS 39 1.271 33.457 24.608 296 H GLU 40 HN GLU 40 -1.971 29.320 19.146 297 HA GLU 40 HA GLU 40 -2.275 30.952 16.794 298 HB2 GLU 40 HB2 GLU 40 -1.089 28.318 17.432 299 HB3 GLU 40 HB1 GLU 40 -1.575 28.590 15.762 300 HG2 GLU 40 HG2 GLU 40 0.727 29.301 16.016 301 HG3 GLU 40 HG1 GLU 40 -0.279 30.730 15.811 302 H LEU 41 HN LEU 41 -4.156 28.562 18.408 303 HA LEU 41 HA LEU 41 -5.736 27.863 16.081 304 HB2 LEU 41 HB2 LEU 41 -5.215 26.323 18.069 305 HB3 LEU 41 HB1 LEU 41 -6.434 27.247 18.950 306 HG LEU 41 HG LEU 41 -7.301 26.422 16.261 307 HD11 LEU 41 HD11 LEU 41 -5.935 24.501 17.901 308 HD12 LEU 41 HD12 LEU 41 -6.742 24.246 16.354 309 HD13 LEU 41 HD13 LEU 41 -7.651 24.096 17.858 310 HD21 LEU 41 HD21 LEU 41 -8.861 27.374 17.847 311 HD22 LEU 41 HD22 LEU 41 -8.397 26.203 19.081 312 HD23 LEU 41 HD23 LEU 41 -9.280 25.672 17.649 313 H GLY 42 HN GLY 42 -6.230 29.663 19.114 314 HA2 GLY 42 HA2 GLY 42 -8.902 30.404 18.638 315 HA3 GLY 42 HA1 GLY 42 -7.798 31.260 19.700 316 H LYS 43 HN LYS 43 -5.829 31.958 17.716 317 HA LYS 43 HA LYS 43 -6.671 34.422 16.813 318 HB2 LYS 43 HB2 LYS 43 -4.884 34.094 15.001 319 HB3 LYS 43 HB1 LYS 43 -4.360 33.917 16.677 320 HG2 LYS 43 HG2 LYS 43 -3.648 31.864 16.216 321 HG3 LYS 43 HG1 LYS 43 -5.295 31.381 15.835 322 HD2 LYS 43 HD2 LYS 43 -4.021 30.923 13.865 323 HD3 LYS 43 HD1 LYS 43 -4.906 32.413 13.529 324 HE2 LYS 43 HE2 LYS 43 -2.698 33.494 14.603 325 HE3 LYS 43 HE1 LYS 43 -1.987 32.004 13.981 326 HZ1 LYS 43 HZ1 LYS 43 -3.603 33.940 12.410 327 HZ2 LYS 43 HZ2 LYS 43 -2.920 32.505 11.810 328 HZ3 LYS 43 HZ3 LYS 43 -1.917 33.771 12.335 329 H VAL 44 HN VAL 44 -6.540 31.463 14.804 330 HA VAL 44 HA VAL 44 -7.978 32.539 12.600 331 HB VAL 44 HB VAL 44 -7.404 29.704 13.513 332 HG11 VAL 44 HG11 VAL 44 -8.993 30.708 11.160 333 HG12 VAL 44 HG12 VAL 44 -9.504 29.570 12.412 334 HG13 VAL 44 HG13 VAL 44 -8.277 29.097 11.235 335 HG21 VAL 44 HG21 VAL 44 -5.467 30.761 12.626 336 HG22 VAL 44 HG22 VAL 44 -6.393 31.566 11.359 337 HG23 VAL 44 HG23 VAL 44 -6.128 29.824 11.285 338 H MET 45 HN MET 45 -8.948 30.906 15.577 339 HA MET 45 HA MET 45 -11.619 30.319 14.955 340 HB2 MET 45 HB2 MET 45 -10.297 31.133 17.543 341 HB3 MET 45 HB1 MET 45 -11.968 30.600 17.452 342 HG2 MET 45 HG2 MET 45 -9.649 28.976 16.414 343 HG3 MET 45 HG1 MET 45 -10.325 28.778 18.034 344 HE1 MET 45 HE1 MET 45 -12.568 27.584 18.572 345 HE2 MET 45 HE2 MET 45 -13.932 27.726 17.460 346 HE3 MET 45 HE3 MET 45 -13.096 29.178 18.018 347 H ARG 46 HN ARG 46 -10.133 33.310 16.191 348 HA ARG 46 HA ARG 46 -12.544 34.838 16.369 349 HB2 ARG 46 HB2 ARG 46 -9.633 35.551 16.201 350 HB3 ARG 46 HB1 ARG 46 -10.888 36.792 16.175 351 HG2 ARG 46 HG2 ARG 46 -11.667 36.210 18.337 352 HG3 ARG 46 HG1 ARG 46 -10.821 34.660 18.315 353 HD2 ARG 46 HD2 ARG 46 -9.711 36.431 19.727 354 HD3 ARG 46 HD1 ARG 46 -8.677 35.741 18.478 355 HE ARG 46 HE ARG 46 -10.096 38.169 17.717 356 HH11 ARG 46 HH11 ARG 46 -7.252 36.697 19.028 357 HH12 ARG 46 HH12 ARG 46 -6.218 38.037 18.656 358 HH21 ARG 46 HH21 ARG 46 -8.746 39.929 17.221 359 HH22 ARG 46 HH22 ARG 46 -7.065 39.866 17.633 360 H MET 47 HN MET 47 -10.256 34.175 13.803 361 HA MET 47 HA MET 47 -11.127 36.098 11.948 362 HB2 MET 47 HB2 MET 47 -9.894 33.368 11.568 363 HB3 MET 47 HB1 MET 47 -10.198 34.473 10.240 364 HG2 MET 47 HG2 MET 47 -8.925 36.179 11.838 365 HG3 MET 47 HG1 MET 47 -8.227 34.680 12.452 366 HE1 MET 47 HE1 MET 47 -7.817 32.774 10.812 367 HE2 MET 47 HE2 MET 47 -6.866 32.948 9.342 368 HE3 MET 47 HE3 MET 47 -8.619 33.102 9.271 369 H LEU 48 HN LEU 48 -12.455 33.033 12.946 370 HA LEU 48 HA LEU 48 -14.417 33.035 10.762 371 HB2 LEU 48 HB2 LEU 48 -14.160 31.015 12.989 372 HB3 LEU 48 HB1 LEU 48 -14.974 30.828 11.436 373 HG LEU 48 HG LEU 48 -11.998 31.198 11.848 374 HD11 LEU 48 HD11 LEU 48 -11.898 28.981 11.960 375 HD12 LEU 48 HD12 LEU 48 -12.735 28.864 10.417 376 HD13 LEU 48 HD13 LEU 48 -13.660 28.907 11.914 377 HD21 LEU 48 HD21 LEU 48 -13.776 31.380 9.481 378 HD22 LEU 48 HD22 LEU 48 -12.297 30.441 9.269 379 HD23 LEU 48 HD23 LEU 48 -12.206 32.130 9.772 380 H GLY 49 HN GLY 49 -14.136 34.630 13.563 381 HA2 GLY 49 HA2 GLY 49 -15.877 35.925 14.530 382 HA3 GLY 49 HA1 GLY 49 -17.043 34.721 13.986 383 H GLN 50 HN GLN 50 -14.556 32.961 15.160 384 HA GLN 50 HA GLN 50 -15.957 32.402 17.648 385 HB2 GLN 50 HB2 GLN 50 -13.397 31.181 16.617 386 HB3 GLN 50 HB1 GLN 50 -14.478 30.530 17.849 387 HG2 GLN 50 HG2 GLN 50 -15.377 31.077 15.004 388 HG3 GLN 50 HG1 GLN 50 -14.741 29.511 15.507 389 HE21 GLN 50 HE21 GLN 50 -16.147 28.116 16.660 390 HE22 GLN 50 HE22 GLN 50 -17.735 28.534 17.093 391 H ASN 51 HN ASN 51 -15.293 32.941 19.666 392 HA ASN 51 HA ASN 51 -12.660 34.227 19.925 393 HB2 ASN 51 HB2 ASN 51 -13.732 35.811 21.569 394 HB3 ASN 51 HB1 ASN 51 -14.268 36.011 19.901 395 HD21 ASN 51 HD21 ASN 51 -16.415 36.780 20.357 396 HD22 ASN 51 HD22 ASN 51 -17.577 35.822 21.140 397 HA PRO 52 HA PRO 52 -13.441 31.054 23.252 398 HB2 PRO 52 HB2 PRO 52 -11.724 29.134 22.421 399 HB3 PRO 52 HB1 PRO 52 -13.393 29.224 21.840 400 HG2 PRO 52 HG2 PRO 52 -10.865 29.998 20.503 401 HG3 PRO 52 HG1 PRO 52 -12.350 29.325 19.817 402 HD2 PRO 52 HD2 PRO 52 -11.624 32.016 19.741 403 HD3 PRO 52 HD1 PRO 52 -13.256 31.401 19.484 404 H THR 53 HN THR 53 -12.137 30.821 25.070 405 HA THR 53 HA THR 53 -9.754 32.465 25.167 406 HB THR 53 HB THR 53 -9.746 31.835 27.569 407 HG1 THR 53 HG1 THR 53 -12.215 30.640 27.360 408 HG21 THR 53 HG21 THR 53 -12.564 32.559 26.807 409 HG22 THR 53 HG22 THR 53 -11.230 33.660 26.455 410 HG23 THR 53 HG23 THR 53 -11.570 33.192 28.120 411 HA PRO 54 HA PRO 54 -6.627 29.488 24.473 412 HB2 PRO 54 HB2 PRO 54 -5.310 30.509 26.947 413 HB3 PRO 54 HB1 PRO 54 -4.686 30.412 25.289 414 HG2 PRO 54 HG2 PRO 54 -5.414 32.717 26.326 415 HG3 PRO 54 HG1 PRO 54 -5.741 32.349 24.629 416 HD2 PRO 54 HD2 PRO 54 -7.622 32.358 26.968 417 HD3 PRO 54 HD1 PRO 54 -7.910 32.868 25.288 418 H GLU 55 HN GLU 55 -7.622 29.837 27.876 419 HA GLU 55 HA GLU 55 -6.695 27.333 28.792 420 HB2 GLU 55 HB2 GLU 55 -8.915 29.135 29.767 421 HB3 GLU 55 HB1 GLU 55 -8.414 27.671 30.614 422 HG2 GLU 55 HG2 GLU 55 -7.061 29.224 31.665 423 HG3 GLU 55 HG1 GLU 55 -6.003 28.743 30.343 424 H GLU 56 HN GLU 56 -9.753 28.353 27.336 425 HA GLU 56 HA GLU 56 -10.960 25.736 27.619 426 HB2 GLU 56 HB2 GLU 56 -11.870 28.361 27.051 427 HB3 GLU 56 HB1 GLU 56 -12.299 27.348 25.672 428 HG2 GLU 56 HG2 GLU 56 -12.753 26.133 28.329 429 HG3 GLU 56 HG1 GLU 56 -13.786 27.507 27.944 430 H LEU 57 HN LEU 57 -9.287 27.578 25.143 431 HA LEU 57 HA LEU 57 -9.876 25.960 22.912 432 HB2 LEU 57 HB2 LEU 57 -7.709 27.890 23.564 433 HB3 LEU 57 HB1 LEU 57 -7.579 26.900 22.123 434 HG LEU 57 HG LEU 57 -10.101 28.415 22.739 435 HD11 LEU 57 HD11 LEU 57 -7.502 29.407 21.715 436 HD12 LEU 57 HD12 LEU 57 -8.757 30.260 22.614 437 HD13 LEU 57 HD13 LEU 57 -8.958 29.963 20.883 438 HD21 LEU 57 HD21 LEU 57 -9.265 28.190 19.974 439 HD22 LEU 57 HD22 LEU 57 -10.746 27.591 20.735 440 HD23 LEU 57 HD23 LEU 57 -9.283 26.605 20.748 441 H GLN 58 HN GLN 58 -7.602 25.613 25.535 442 HA GLN 58 HA GLN 58 -5.800 23.794 24.443 443 HB2 GLN 58 HB2 GLN 58 -6.231 24.910 26.933 444 HB3 GLN 58 HB1 GLN 58 -6.514 23.191 27.209 445 HG2 GLN 58 HG2 GLN 58 -4.157 23.863 25.538 446 HG3 GLN 58 HG1 GLN 58 -4.045 24.303 27.242 447 HE21 GLN 58 HE21 GLN 58 -2.270 22.439 26.852 448 HE22 GLN 58 HE22 GLN 58 -2.806 20.873 27.229 449 H GLU 59 HN GLU 59 -9.029 23.296 25.783 450 HA GLU 59 HA GLU 59 -8.980 20.473 25.910 451 HB2 GLU 59 HB2 GLU 59 -10.728 21.739 27.017 452 HB3 GLU 59 HB1 GLU 59 -11.285 22.389 25.475 453 HG2 GLU 59 HG2 GLU 59 -12.707 20.509 26.187 454 HG3 GLU 59 HG1 GLU 59 -11.833 20.108 24.709 455 H MET 60 HN MET 60 -10.126 22.667 23.346 456 HA MET 60 HA MET 60 -10.873 20.641 21.521 457 HB2 MET 60 HB2 MET 60 -10.135 23.544 21.186 458 HB3 MET 60 HB1 MET 60 -10.566 22.527 19.811 459 HG2 MET 60 HG2 MET 60 -12.513 23.792 20.766 460 HG3 MET 60 HG1 MET 60 -12.738 22.044 20.778 461 HE1 MET 60 HE1 MET 60 -12.415 24.979 24.193 462 HE2 MET 60 HE2 MET 60 -13.522 25.021 22.822 463 HE3 MET 60 HE3 MET 60 -11.788 25.180 22.550 464 H ILE 61 HN ILE 61 -7.846 22.375 22.058 465 HA ILE 61 HA ILE 61 -6.426 21.423 19.807 466 HB ILE 61 HB ILE 61 -5.455 22.244 22.550 467 HG12 ILE 61 HG12 ILE 61 -6.150 23.632 19.994 468 HG13 ILE 61 HG11 ILE 61 -6.273 24.210 21.644 469 HG21 ILE 61 HG21 ILE 61 -3.256 22.404 21.509 470 HG22 ILE 61 HG22 ILE 61 -3.911 21.868 19.964 471 HG23 ILE 61 HG23 ILE 61 -3.858 20.753 21.335 472 HD11 ILE 61 HD11 ILE 61 -3.863 24.561 21.742 473 HD12 ILE 61 HD12 ILE 61 -4.529 25.401 20.340 474 HD13 ILE 61 HD13 ILE 61 -3.678 23.873 20.129 475 H ASP 62 HN ASP 62 -6.726 20.166 23.130 476 HA ASP 62 HA ASP 62 -4.969 17.994 22.903 477 HB2 ASP 62 HB2 ASP 62 -5.823 18.744 25.043 478 HB3 ASP 62 HB1 ASP 62 -7.456 18.286 24.573 479 H GLU 63 HN GLU 63 -8.347 18.356 21.989 480 HA GLU 63 HA GLU 63 -9.100 15.723 21.582 481 HB2 GLU 63 HB2 GLU 63 -10.634 17.613 21.287 482 HB3 GLU 63 HB1 GLU 63 -9.755 18.124 19.851 483 HG2 GLU 63 HG2 GLU 63 -10.300 16.004 18.745 484 HG3 GLU 63 HG1 GLU 63 -11.150 15.455 20.190 485 H VAL 64 HN VAL 64 -7.268 17.847 19.420 486 HA VAL 64 HA VAL 64 -6.771 15.546 17.640 487 HB VAL 64 HB VAL 64 -5.901 17.427 16.090 488 HG11 VAL 64 HG11 VAL 64 -8.426 18.075 15.651 489 HG12 VAL 64 HG12 VAL 64 -8.748 16.840 16.869 490 HG13 VAL 64 HG13 VAL 64 -7.888 16.414 15.381 491 HG21 VAL 64 HG21 VAL 64 -7.232 19.584 16.630 492 HG22 VAL 64 HG22 VAL 64 -5.752 19.288 17.544 493 HG23 VAL 64 HG23 VAL 64 -7.322 18.956 18.271 494 H ASP 65 HN ASP 65 -5.401 16.934 20.221 495 HA ASP 65 HA ASP 65 -2.652 16.726 19.178 496 HB2 ASP 65 HB2 ASP 65 -3.320 18.870 20.293 497 HB3 ASP 65 HB1 ASP 65 -3.547 17.956 21.782 498 H GLU 66 HN GLU 66 -2.480 14.466 19.271 499 HA GLU 66 HA GLU 66 -3.049 13.025 21.706 500 HB2 GLU 66 HB2 GLU 66 -3.301 11.976 19.487 501 HB3 GLU 66 HB1 GLU 66 -1.563 12.124 19.252 502 HG2 GLU 66 HG2 GLU 66 -1.193 10.751 21.287 503 HG3 GLU 66 HG1 GLU 66 -2.937 10.562 21.446 504 H ASP 67 HN ASP 67 -0.391 14.764 20.412 505 HA ASP 67 HA ASP 67 1.687 13.347 21.794 506 HB2 ASP 67 HB2 ASP 67 1.655 16.136 20.614 507 HB3 ASP 67 HB1 ASP 67 3.093 15.266 21.143 508 H GLY 68 HN GLY 68 -0.714 15.510 22.783 509 HA2 GLY 68 HA2 GLY 68 -1.149 16.495 24.814 510 HA3 GLY 68 HA1 GLY 68 0.177 15.543 25.475 511 H SER 69 HN SER 69 0.898 17.526 22.770 512 HA SER 69 HA SER 69 2.631 19.190 24.406 513 HB2 SER 69 HB2 SER 69 3.399 20.063 22.197 514 HB3 SER 69 HB1 SER 69 3.544 18.312 22.338 515 HG SER 69 HG SER 69 1.660 19.870 20.929 516 H GLY 70 HN GLY 70 -0.537 19.328 23.355 517 HA2 GLY 70 HA2 GLY 70 -2.111 21.006 23.569 518 HA3 GLY 70 HA1 GLY 70 -0.846 22.054 24.206 519 H THR 71 HN THR 71 -0.150 20.517 21.226 520 HA THR 71 HA THR 71 -1.026 22.863 19.669 521 HB THR 71 HB THR 71 1.285 22.582 18.489 522 HG1 THR 71 HG1 THR 71 2.876 21.885 19.919 523 HG21 THR 71 HG21 THR 71 0.299 24.404 20.176 524 HG22 THR 71 HG22 THR 71 1.967 24.462 19.607 525 HG23 THR 71 HG23 THR 71 1.598 23.777 21.191 526 H VAL 72 HN VAL 72 -1.980 22.296 17.843 527 HA VAL 72 HA VAL 72 -1.825 19.501 16.963 528 HB VAL 72 HB VAL 72 -4.071 19.886 16.947 529 HG11 VAL 72 HG11 VAL 72 -4.841 22.384 16.360 530 HG12 VAL 72 HG12 VAL 72 -3.210 22.743 16.905 531 HG13 VAL 72 HG13 VAL 72 -4.333 21.930 17.985 532 HG21 VAL 72 HG21 VAL 72 -3.813 21.571 14.505 533 HG22 VAL 72 HG22 VAL 72 -4.794 20.135 14.777 534 HG23 VAL 72 HG23 VAL 72 -3.067 19.975 14.457 535 H ASP 73 HN ASP 73 -0.147 19.195 15.618 536 HA ASP 73 HA ASP 73 0.808 21.218 13.811 537 HB2 ASP 73 HB2 ASP 73 1.524 18.445 14.540 538 HB3 ASP 73 HB1 ASP 73 1.928 18.929 12.896 539 H PHE 74 HN PHE 74 1.323 19.696 11.504 540 HA PHE 74 HA PHE 74 -0.967 20.185 9.978 541 HB2 PHE 74 HB2 PHE 74 1.082 20.085 8.812 542 HB3 PHE 74 HB1 PHE 74 1.490 18.511 9.492 543 HD1 PHE 74 HD1 PHE 74 -1.898 19.370 8.303 544 HD2 PHE 74 HD2 PHE 74 1.795 17.388 7.356 545 HE1 PHE 74 HE1 PHE 74 -2.997 18.247 6.374 546 HE2 PHE 74 HE2 PHE 74 0.701 16.267 5.433 547 HZ PHE 74 HZ PHE 74 -1.693 16.696 4.944 548 H ASP 75 HN ASP 75 0.334 17.083 11.167 549 HA ASP 75 HA ASP 75 -1.744 15.472 10.140 550 HB2 ASP 75 HB2 ASP 75 0.149 15.075 12.446 551 HB3 ASP 75 HB1 ASP 75 -0.977 13.841 11.884 552 H GLU 76 HN GLU 76 -1.307 17.056 13.287 553 HA GLU 76 HA GLU 76 -3.639 15.977 14.501 554 HB2 GLU 76 HB2 GLU 76 -2.066 18.505 15.077 555 HB3 GLU 76 HB1 GLU 76 -3.348 17.875 16.112 556 HG2 GLU 76 HG2 GLU 76 -2.122 15.828 16.501 557 HG3 GLU 76 HG1 GLU 76 -0.900 16.280 15.314 558 H PHE 77 HN PHE 77 -3.020 18.966 12.689 559 HA PHE 77 HA PHE 77 -5.619 20.067 13.053 560 HB2 PHE 77 HB2 PHE 77 -4.644 21.834 12.067 561 HB3 PHE 77 HB1 PHE 77 -3.191 20.863 11.836 562 HD1 PHE 77 HD1 PHE 77 -6.429 21.825 10.299 563 HD2 PHE 77 HD2 PHE 77 -2.597 20.014 9.691 564 HE1 PHE 77 HE1 PHE 77 -6.821 21.808 7.858 565 HE2 PHE 77 HE2 PHE 77 -2.992 20.007 7.247 566 HZ PHE 77 HZ PHE 77 -5.096 20.899 6.341 567 H LEU 78 HN LEU 78 -4.153 17.955 10.630 568 HA LEU 78 HA LEU 78 -6.221 17.980 8.720 569 HB2 LEU 78 HB2 LEU 78 -3.789 16.786 8.878 570 HB3 LEU 78 HB1 LEU 78 -4.840 15.411 9.199 571 HG LEU 78 HG LEU 78 -4.449 15.603 6.784 572 HD11 LEU 78 HD11 LEU 78 -6.570 15.047 6.357 573 HD12 LEU 78 HD12 LEU 78 -7.145 16.663 6.747 574 HD13 LEU 78 HD13 LEU 78 -6.928 15.469 8.031 575 HD21 LEU 78 HD21 LEU 78 -4.453 18.317 7.300 576 HD22 LEU 78 HD22 LEU 78 -5.972 18.072 6.438 577 HD23 LEU 78 HD23 LEU 78 -4.447 17.577 5.701 578 H VAL 79 HN VAL 79 -5.727 16.054 11.656 579 HA VAL 79 HA VAL 79 -7.949 14.325 11.362 580 HB VAL 79 HB VAL 79 -6.485 15.301 13.796 581 HG11 VAL 79 HG11 VAL 79 -8.813 13.423 13.485 582 HG12 VAL 79 HG12 VAL 79 -8.579 14.707 14.669 583 HG13 VAL 79 HG13 VAL 79 -7.658 13.210 14.802 584 HG21 VAL 79 HG21 VAL 79 -6.185 13.128 11.832 585 HG22 VAL 79 HG22 VAL 79 -6.104 12.590 13.511 586 HG23 VAL 79 HG23 VAL 79 -4.988 13.825 12.925 587 H MET 80 HN MET 80 -7.558 17.542 12.772 588 HA MET 80 HA MET 80 -10.087 17.818 13.957 589 HB2 MET 80 HB2 MET 80 -8.600 19.528 14.457 590 HB3 MET 80 HB1 MET 80 -8.129 19.745 12.775 591 HG2 MET 80 HG2 MET 80 -10.626 20.454 12.426 592 HG3 MET 80 HG1 MET 80 -10.625 20.691 14.168 593 HE1 MET 80 HE1 MET 80 -7.195 22.775 14.295 594 HE2 MET 80 HE2 MET 80 -6.959 21.382 13.240 595 HE3 MET 80 HE3 MET 80 -7.853 21.195 14.745 596 H MET 81 HN MET 81 -9.011 18.441 10.624 597 HA MET 81 HA MET 81 -11.412 19.516 9.630 598 HB2 MET 81 HB2 MET 81 -9.249 17.927 8.263 599 HB3 MET 81 HB1 MET 81 -10.551 18.743 7.411 600 HG2 MET 81 HG2 MET 81 -8.597 20.091 9.261 601 HG3 MET 81 HG1 MET 81 -8.493 20.119 7.506 602 HE1 MET 81 HE1 MET 81 -9.426 22.923 9.970 603 HE2 MET 81 HE2 MET 81 -9.259 23.602 8.353 604 HE3 MET 81 HE3 MET 81 -8.162 22.329 8.886 605 H VAL 82 HN VAL 82 -10.231 16.190 9.746 606 HA VAL 82 HA VAL 82 -12.618 15.076 8.602 607 HB VAL 82 HB VAL 82 -11.022 13.551 8.179 608 HG11 VAL 82 HG11 VAL 82 -9.107 14.634 8.906 609 HG12 VAL 82 HG12 VAL 82 -9.119 13.224 9.967 610 HG13 VAL 82 HG13 VAL 82 -9.704 14.775 10.553 611 HG21 VAL 82 HG21 VAL 82 -12.621 12.458 9.806 612 HG22 VAL 82 HG22 VAL 82 -11.431 12.761 11.076 613 HG23 VAL 82 HG23 VAL 82 -11.027 11.701 9.718 614 H ARG 83 HN ARG 83 -11.477 15.829 11.773 615 HA ARG 83 HA ARG 83 -13.177 14.159 13.252 616 HB2 ARG 83 HB2 ARG 83 -11.541 16.567 13.822 617 HB3 ARG 83 HB1 ARG 83 -12.811 16.180 14.977 618 HG2 ARG 83 HG2 ARG 83 -11.893 13.815 14.998 619 HG3 ARG 83 HG1 ARG 83 -10.496 14.434 14.120 620 HD2 ARG 83 HD2 ARG 83 -9.649 15.418 15.973 621 HD3 ARG 83 HD1 ARG 83 -11.213 16.061 16.452 622 HE ARG 83 HE ARG 83 -11.676 13.942 17.537 623 HH11 ARG 83 HH11 ARG 83 -8.447 14.401 16.360 624 HH12 ARG 83 HH12 ARG 83 -7.761 13.187 17.382 625 HH21 ARG 83 HH21 ARG 83 -10.772 12.349 18.874 626 HH22 ARG 83 HH22 ARG 83 -9.072 12.027 18.801 627 H SER 84 HN SER 84 -13.552 17.419 11.976 628 HA SER 84 HA SER 84 -16.183 17.729 13.171 629 HB2 SER 84 HB2 SER 84 -14.766 19.697 13.047 630 HB3 SER 84 HB1 SER 84 -14.582 19.496 11.305 631 HG SER 84 HG SER 84 -16.211 21.033 11.945 632 H MET 85 HN MET 85 -14.814 17.496 9.891 633 HA MET 85 HA MET 85 -17.253 17.599 8.513 634 HB2 MET 85 HB2 MET 85 -16.033 17.284 6.632 635 HB3 MET 85 HB1 MET 85 -14.699 17.631 7.731 636 HG2 MET 85 HG2 MET 85 -14.350 15.287 8.125 637 HG3 MET 85 HG1 MET 85 -15.751 14.863 7.161 638 HE1 MET 85 HE1 MET 85 -11.785 15.165 6.775 639 HE2 MET 85 HE2 MET 85 -12.575 16.586 7.452 640 HE3 MET 85 HE3 MET 85 -11.815 16.682 5.865 641 H LYS 86 HN LYS 86 -15.855 15.139 10.399 642 HA LYS 86 HA LYS 86 -16.777 12.806 9.207 643 HB2 LYS 86 HB2 LYS 86 -15.291 12.807 11.160 644 HB3 LYS 86 HB1 LYS 86 -16.597 13.441 12.161 645 HG2 LYS 86 HG2 LYS 86 -16.414 11.003 12.426 646 HG3 LYS 86 HG1 LYS 86 -17.948 11.429 11.667 647 HD2 LYS 86 HD2 LYS 86 -17.001 10.930 9.450 648 HD3 LYS 86 HD1 LYS 86 -15.453 10.529 10.193 649 HE2 LYS 86 HE2 LYS 86 -16.529 8.708 11.462 650 HE3 LYS 86 HE1 LYS 86 -18.080 9.110 10.725 651 HZ1 LYS 86 HZ1 LYS 86 -16.338 7.327 9.731 652 HZ2 LYS 86 HZ2 LYS 86 -15.926 8.717 8.846 653 HZ3 LYS 86 HZ3 LYS 86 -17.519 8.127 8.814 654 H ASP 87 HN ASP 87 -18.481 15.184 11.151 655 HA ASP 87 HA ASP 87 -20.825 13.732 11.677 656 HB2 ASP 87 HB2 ASP 87 -21.883 15.898 12.036 657 HB3 ASP 87 HB1 ASP 87 -20.265 15.897 12.736 658 H ASP 88 HN ASP 88 -19.603 15.060 8.752 659 HA ASP 88 HA ASP 88 -22.009 15.508 7.342 660 HB2 ASP 88 HB2 ASP 88 -19.221 14.791 6.424 661 HB3 ASP 88 HB1 ASP 88 -20.539 15.140 5.307 662 H SER 89 HN SER 89 -19.998 12.630 7.777 663 HA SER 89 HA SER 89 -22.123 11.031 6.483 664 HB2 SER 89 HB2 SER 89 -20.329 9.395 5.932 665 HB3 SER 89 HB1 SER 89 -20.104 10.957 5.148 666 HG SER 89 HG SER 89 -18.954 10.372 7.660 667 H LYS 90 HN LYS 90 -21.380 11.891 9.380 668 HA LYS 90 HA LYS 90 -20.781 9.460 10.761 669 HB2 LYS 90 HB2 LYS 90 -20.943 10.697 12.710 670 HB3 LYS 90 HB1 LYS 90 -20.578 11.959 11.537 671 HG2 LYS 90 HG2 LYS 90 -22.936 12.521 11.336 672 HG3 LYS 90 HG1 LYS 90 -23.376 11.175 12.385 673 HD2 LYS 90 HD2 LYS 90 -21.812 12.310 14.119 674 HD3 LYS 90 HD1 LYS 90 -21.979 13.741 13.103 675 HE2 LYS 90 HE2 LYS 90 -23.713 13.942 14.711 676 HE3 LYS 90 HE1 LYS 90 -24.512 13.350 13.255 677 HZ1 LYS 90 HZ1 LYS 90 -24.641 12.199 15.706 678 HZ2 LYS 90 HZ2 LYS 90 -23.485 11.245 14.904 679 HZ3 LYS 90 HZ3 LYS 90 -25.036 11.444 14.238 680 H GLY 136 HN GLY 136 -22.439 8.885 12.642 681 HA2 GLY 136 HA2 GLY 136 -24.515 8.074 13.258 682 HA3 GLY 136 HA1 GLY 136 -25.220 8.986 11.927 683 H LYS 137 HN LYS 137 -26.529 6.933 11.810 684 HA LYS 137 HA LYS 137 -27.093 5.007 10.695 685 HB2 LYS 137 HB2 LYS 137 -25.033 6.296 9.012 686 HB3 LYS 137 HB1 LYS 137 -25.297 4.578 8.707 687 HG2 LYS 137 HG2 LYS 137 -26.831 5.771 7.294 688 HG3 LYS 137 HG1 LYS 137 -27.781 5.087 8.614 689 HD2 LYS 137 HD2 LYS 137 -27.780 7.216 9.790 690 HD3 LYS 137 HD1 LYS 137 -26.698 7.918 8.586 691 HE2 LYS 137 HE2 LYS 137 -28.407 7.611 6.846 692 HE3 LYS 137 HE1 LYS 137 -29.492 6.875 8.027 693 HZ1 LYS 137 HZ1 LYS 137 -29.023 9.087 9.303 694 HZ2 LYS 137 HZ2 LYS 137 -30.199 9.029 8.077 695 HZ3 LYS 137 HZ3 LYS 137 -28.660 9.674 7.753 696 H PHE 138 HN PHE 138 -26.695 3.536 12.340 697 HA PHE 138 HA PHE 138 -25.740 1.666 13.276 698 HB2 PHE 138 HB2 PHE 138 -24.283 1.881 10.678 699 HB3 PHE 138 HB1 PHE 138 -23.660 0.775 11.901 700 HD1 PHE 138 HD1 PHE 138 -26.754 1.688 10.016 701 HD2 PHE 138 HD2 PHE 138 -24.680 -1.319 12.273 702 HE1 PHE 138 HE1 PHE 138 -28.503 0.034 9.419 703 HE2 PHE 138 HE2 PHE 138 -26.427 -2.974 11.676 704 HZ PHE 138 HZ PHE 138 -28.339 -2.298 10.250 705 H LYS 139 HN LYS 139 -24.609 4.580 13.458 706 HA LYS 139 HA LYS 139 -22.314 3.800 15.127 707 HB2 LYS 139 HB2 LYS 139 -22.318 5.655 12.814 708 HB3 LYS 139 HB1 LYS 139 -21.428 6.178 14.244 709 HG2 LYS 139 HG2 LYS 139 -20.665 3.544 14.038 710 HG3 LYS 139 HG1 LYS 139 -20.824 4.009 12.343 711 HD2 LYS 139 HD2 LYS 139 -18.579 4.552 12.938 712 HD3 LYS 139 HD1 LYS 139 -19.450 6.088 12.938 713 HE2 LYS 139 HE2 LYS 139 -19.810 5.792 15.418 714 HE3 LYS 139 HE1 LYS 139 -18.736 4.395 15.348 715 HZ1 LYS 139 HZ1 LYS 139 -17.245 6.186 14.099 716 HZ2 LYS 139 HZ2 LYS 139 -17.197 5.964 15.783 717 HZ3 LYS 139 HZ3 LYS 139 -18.117 7.229 15.116 718 H ARG 140 HN ARG 140 -22.026 5.029 16.969 719 HA ARG 140 HA ARG 140 -24.340 6.437 17.938 720 HB2 ARG 140 HB2 ARG 140 -23.227 6.520 20.016 721 HB3 ARG 140 HB1 ARG 140 -22.681 5.010 19.296 722 HG2 ARG 140 HG2 ARG 140 -20.544 5.716 19.247 723 HG3 ARG 140 HG1 ARG 140 -21.005 7.216 18.448 724 HD2 ARG 140 HD2 ARG 140 -20.203 8.060 20.447 725 HD3 ARG 140 HD1 ARG 140 -21.901 7.843 20.847 726 HE ARG 140 HE ARG 140 -19.789 5.898 21.578 727 HH11 ARG 140 HH11 ARG 140 -22.768 7.582 22.151 728 HH12 ARG 140 HH12 ARG 140 -23.049 6.833 23.682 729 HH21 ARG 140 HH21 ARG 140 -20.164 4.917 23.588 730 HH22 ARG 140 HH22 ARG 140 -21.581 5.328 24.496 731 HA PRO 141 HA PRO 141 -23.064 10.561 17.108 732 HB2 PRO 141 HB2 PRO 141 -23.928 11.904 19.313 733 HB3 PRO 141 HB1 PRO 141 -25.020 11.229 18.091 734 HG2 PRO 141 HG2 PRO 141 -24.453 10.310 20.809 735 HG3 PRO 141 HG1 PRO 141 -25.864 10.019 19.785 736 HD2 PRO 141 HD2 PRO 141 -23.702 8.231 20.300 737 HD3 PRO 141 HD1 PRO 141 -25.054 7.976 19.183 738 H THR 142 HN THR 142 -20.721 9.957 17.266 739 HA THR 142 HA THR 142 -19.202 10.257 19.608 740 HB THR 142 HB THR 142 -18.386 10.740 16.730 741 HG1 THR 142 HG1 THR 142 -18.514 8.485 18.414 742 HG21 THR 142 HG21 THR 142 -16.631 9.996 19.071 743 HG22 THR 142 HG22 THR 142 -16.889 11.671 18.579 744 HG23 THR 142 HG23 THR 142 -16.133 10.531 17.466 745 H LEU 143 HN LEU 143 -19.999 12.602 17.054 746 HA LEU 143 HA LEU 143 -19.537 14.768 18.977 747 HB2 LEU 143 HB2 LEU 143 -18.140 14.445 16.335 748 HB3 LEU 143 HB1 LEU 143 -18.396 16.040 17.044 749 HG LEU 143 HG LEU 143 -17.109 13.757 18.560 750 HD11 LEU 143 HD11 LEU 143 -15.291 15.869 17.816 751 HD12 LEU 143 HD12 LEU 143 -16.036 15.190 16.369 752 HD13 LEU 143 HD13 LEU 143 -15.168 14.141 17.488 753 HD21 LEU 143 HD21 LEU 143 -16.989 16.757 18.996 754 HD22 LEU 143 HD22 LEU 143 -16.433 15.494 20.094 755 HD23 LEU 143 HD23 LEU 143 -18.158 15.709 19.798 756 H ARG 144 HN ARG 144 -21.961 14.501 18.789 757 HA ARG 144 HA ARG 144 -23.381 15.091 16.439 758 HB2 ARG 144 HB2 ARG 144 -25.273 15.346 17.817 759 HB3 ARG 144 HB1 ARG 144 -24.243 14.239 18.727 760 HG2 ARG 144 HG2 ARG 144 -23.281 16.489 19.745 761 HG3 ARG 144 HG1 ARG 144 -24.851 17.123 19.253 762 HD2 ARG 144 HD2 ARG 144 -24.496 14.628 20.930 763 HD3 ARG 144 HD1 ARG 144 -24.804 16.224 21.605 764 HE ARG 144 HE ARG 144 -26.810 15.823 19.747 765 HH11 ARG 144 HH11 ARG 144 -25.585 14.219 22.558 766 HH12 ARG 144 HH12 ARG 144 -27.118 13.554 23.016 767 HH21 ARG 144 HH21 ARG 144 -28.822 14.956 20.342 768 HH22 ARG 144 HH22 ARG 144 -28.951 13.972 21.760 769 H ARG 145 HN ARG 145 -23.664 16.916 15.324 770 HA ARG 145 HA ARG 145 -23.580 19.127 14.710 771 HB2 ARG 145 HB2 ARG 145 -24.325 19.183 17.576 772 HB3 ARG 145 HB1 ARG 145 -23.689 20.689 16.913 773 HG2 ARG 145 HG2 ARG 145 -26.199 20.421 16.704 774 HG3 ARG 145 HG1 ARG 145 -25.361 20.727 15.182 775 HD2 ARG 145 HD2 ARG 145 -25.392 18.350 14.641 776 HD3 ARG 145 HD1 ARG 145 -26.111 17.975 16.205 777 HE ARG 145 HE ARG 145 -27.886 19.726 15.102 778 HH11 ARG 145 HH11 ARG 145 -26.344 16.815 14.043 779 HH12 ARG 145 HH12 ARG 145 -27.661 16.321 13.032 780 HH21 ARG 145 HH21 ARG 145 -29.617 19.086 13.778 781 HH22 ARG 145 HH22 ARG 145 -29.514 17.606 12.882 782 H VAL 146 HN VAL 146 -22.163 20.981 14.659 783 HA VAL 146 HA VAL 146 -19.661 20.735 16.165 784 HB VAL 146 HB VAL 146 -19.369 19.527 14.006 785 HG11 VAL 146 HG11 VAL 146 -19.068 21.473 12.134 786 HG12 VAL 146 HG12 VAL 146 -20.427 22.115 13.058 787 HG13 VAL 146 HG13 VAL 146 -20.540 20.517 12.323 788 HG21 VAL 146 HG21 VAL 146 -17.668 21.241 15.295 789 HG22 VAL 146 HG22 VAL 146 -17.673 21.927 13.671 790 HG23 VAL 146 HG23 VAL 146 -17.205 20.245 13.915 791 H ARG 147 HN ARG 147 -18.444 22.674 16.295 792 HA ARG 147 HA ARG 147 -20.098 25.067 15.909 793 HB2 ARG 147 HB2 ARG 147 -17.839 24.298 17.674 794 HB3 ARG 147 HB1 ARG 147 -17.924 25.993 17.190 795 HG2 ARG 147 HG2 ARG 147 -19.172 25.611 19.284 796 HG3 ARG 147 HG1 ARG 147 -20.260 26.098 17.985 797 HD2 ARG 147 HD2 ARG 147 -21.311 24.095 17.941 798 HD3 ARG 147 HD1 ARG 147 -19.814 23.195 18.169 799 HE ARG 147 HE ARG 147 -20.681 24.593 20.543 800 HH11 ARG 147 HH11 ARG 147 -20.985 21.746 18.599 801 HH12 ARG 147 HH12 ARG 147 -21.499 20.738 19.910 802 HH21 ARG 147 HH21 ARG 147 -21.350 23.276 22.269 803 HH22 ARG 147 HH22 ARG 147 -21.705 21.604 21.988 804 H ILE 148 HN ILE 148 -16.830 23.866 15.167 805 HA ILE 148 HA ILE 148 -16.182 26.171 13.563 806 HB ILE 148 HB ILE 148 -14.763 23.988 14.715 807 HG12 ILE 148 HG12 ILE 148 -13.913 26.393 13.064 808 HG13 ILE 148 HG11 ILE 148 -14.089 26.340 14.818 809 HG21 ILE 148 HG21 ILE 148 -14.877 22.766 12.650 810 HG22 ILE 148 HG22 ILE 148 -13.267 23.483 12.736 811 HG23 ILE 148 HG23 ILE 148 -14.504 24.208 11.708 812 HD11 ILE 148 HD11 ILE 148 -11.747 26.085 14.345 813 HD12 ILE 148 HD12 ILE 148 -12.072 24.850 13.126 814 HD13 ILE 148 HD13 ILE 148 -12.348 24.500 14.833 815 H SER 149 HN SER 149 -16.943 26.478 11.552 816 HA SER 149 HA SER 149 -18.026 24.238 10.023 817 HB2 SER 149 HB2 SER 149 -18.030 27.227 9.689 818 HB3 SER 149 HB1 SER 149 -18.510 26.165 8.368 819 HG SER 149 HG SER 149 -19.970 26.960 10.392 820 H ALA 150 HN ALA 150 -16.407 23.022 9.169 821 HA ALA 150 HA ALA 150 -13.880 23.828 8.374 822 HB1 ALA 150 HB1 ALA 150 -14.026 21.816 6.786 823 HB2 ALA 150 HB2 ALA 150 -15.671 21.603 7.384 824 HB3 ALA 150 HB3 ALA 150 -14.306 21.492 8.496 825 H ASP 151 HN ASP 151 -16.929 23.978 6.606 826 HA ASP 151 HA ASP 151 -15.967 24.519 4.038 827 HB2 ASP 151 HB2 ASP 151 -18.410 24.220 4.998 828 HB3 ASP 151 HB1 ASP 151 -18.362 25.984 5.061 829 H ALA 152 HN ALA 152 -17.492 27.094 5.934 830 HA ALA 152 HA ALA 152 -16.080 29.156 4.662 831 HB1 ALA 152 HB1 ALA 152 -16.966 29.860 7.333 832 HB2 ALA 152 HB2 ALA 152 -18.205 28.981 6.430 833 HB3 ALA 152 HB3 ALA 152 -17.512 30.462 5.765 834 H MET 153 HN MET 153 -15.428 27.324 7.579 835 HA MET 153 HA MET 153 -13.569 28.845 8.885 836 HB2 MET 153 HB2 MET 153 -14.215 26.646 9.719 837 HB3 MET 153 HB1 MET 153 -13.485 25.865 8.317 838 HG2 MET 153 HG2 MET 153 -11.322 27.149 9.137 839 HG3 MET 153 HG1 MET 153 -12.165 27.129 10.688 840 HE1 MET 153 HE1 MET 153 -9.838 24.899 11.619 841 HE2 MET 153 HE2 MET 153 -9.757 26.310 10.562 842 HE3 MET 153 HE3 MET 153 -9.197 24.753 9.971 843 H MET 154 HN MET 154 -12.714 26.438 6.383 844 HA MET 154 HA MET 154 -10.049 27.358 6.080 845 HB2 MET 154 HB2 MET 154 -11.858 25.614 4.466 846 HB3 MET 154 HB1 MET 154 -10.323 26.149 3.786 847 HG2 MET 154 HG2 MET 154 -9.523 25.372 6.267 848 HG3 MET 154 HG1 MET 154 -10.852 24.242 5.987 849 HE1 MET 154 HE1 MET 154 -8.055 26.073 4.740 850 HE2 MET 154 HE2 MET 154 -7.680 25.409 3.149 851 HE3 MET 154 HE3 MET 154 -6.843 24.792 4.570 852 H GLN 155 HN GLN 155 -13.104 28.354 4.714 853 HA GLN 155 HA GLN 155 -12.166 29.780 2.465 854 HB2 GLN 155 HB2 GLN 155 -14.576 30.185 4.238 855 HB3 GLN 155 HB1 GLN 155 -14.282 31.136 2.787 856 HG2 GLN 155 HG2 GLN 155 -14.108 28.968 1.524 857 HG3 GLN 155 HG1 GLN 155 -14.672 28.159 2.982 858 HE21 GLN 155 HE21 GLN 155 -15.740 29.624 0.120 859 HE22 GLN 155 HE22 GLN 155 -17.362 29.855 0.559 860 H ALA 156 HN ALA 156 -12.528 30.708 5.866 861 HA ALA 156 HA ALA 156 -11.866 33.455 5.533 862 HB1 ALA 156 HB1 ALA 156 -12.610 31.774 7.650 863 HB2 ALA 156 HB2 ALA 156 -12.342 33.517 7.721 864 HB3 ALA 156 HB3 ALA 156 -11.022 32.405 8.091 865 H LEU 157 HN LEU 157 -9.963 30.558 6.182 866 HA LEU 157 HA LEU 157 -7.481 31.966 6.527 867 HB2 LEU 157 HB2 LEU 157 -7.385 29.152 5.642 868 HB3 LEU 157 HB1 LEU 157 -6.597 29.928 7.010 869 HG LEU 157 HG LEU 157 -9.498 29.083 6.839 870 HD11 LEU 157 HD11 LEU 157 -7.433 27.499 7.392 871 HD12 LEU 157 HD12 LEU 157 -8.968 27.354 8.248 872 HD13 LEU 157 HD13 LEU 157 -7.624 28.229 8.984 873 HD21 LEU 157 HD21 LEU 157 -8.543 31.280 8.174 874 HD22 LEU 157 HD22 LEU 157 -8.423 30.025 9.411 875 HD23 LEU 157 HD23 LEU 157 -9.976 30.362 8.635 876 H LEU 158 HN LEU 158 -8.927 30.101 3.865 877 HA LEU 158 HA LEU 158 -6.751 30.487 2.075 878 HB2 LEU 158 HB2 LEU 158 -9.637 29.805 1.488 879 HB3 LEU 158 HB1 LEU 158 -8.294 29.641 0.365 880 HG LEU 158 HG LEU 158 -8.555 28.222 3.012 881 HD11 LEU 158 HD11 LEU 158 -8.903 26.208 1.703 882 HD12 LEU 158 HD12 LEU 158 -8.628 27.092 0.203 883 HD13 LEU 158 HD13 LEU 158 -10.067 27.419 1.167 884 HD21 LEU 158 HD21 LEU 158 -6.224 28.709 2.467 885 HD22 LEU 158 HD22 LEU 158 -6.446 28.038 0.852 886 HD23 LEU 158 HD23 LEU 158 -6.547 26.986 2.267 887 H GLY 159 HN GLY 159 -9.851 32.140 2.552 888 HA2 GLY 159 HA2 GLY 159 -10.071 34.507 2.238 889 HA3 GLY 159 HA1 GLY 159 -8.798 34.426 1.024 890 H ALA 160 HN ALA 160 -9.612 32.404 -0.605 891 HA ALA 160 HA ALA 160 -12.295 32.279 -1.346 892 HB1 ALA 160 HB1 ALA 160 -12.774 34.161 -2.468 893 HB2 ALA 160 HB2 ALA 160 -11.281 34.051 -3.402 894 HB3 ALA 160 HB3 ALA 160 -11.278 34.843 -1.825 895 H ARG 161 HN ARG 161 -10.127 30.542 -1.307 896 HA ARG 161 HA ARG 161 -9.042 30.192 -3.952 897 HB2 ARG 161 HB2 ARG 161 -9.082 28.338 -1.559 898 HB3 ARG 161 HB1 ARG 161 -8.152 28.072 -3.035 899 HG2 ARG 161 HG2 ARG 161 -7.848 30.680 -1.591 900 HG3 ARG 161 HG1 ARG 161 -7.034 29.253 -0.948 901 HD2 ARG 161 HD2 ARG 161 -6.760 29.612 -3.860 902 HD3 ARG 161 HD1 ARG 161 -6.001 30.873 -2.893 903 HE ARG 161 HE ARG 161 -5.354 28.268 -1.901 904 HH11 ARG 161 HH11 ARG 161 -4.687 30.577 -4.390 905 HH12 ARG 161 HH12 ARG 161 -3.070 30.020 -4.665 906 HH21 ARG 161 HH21 ARG 161 -3.234 27.533 -2.255 907 HH22 ARG 161 HH22 ARG 161 -2.248 28.297 -3.456 908 H ALA 162 HN ALA 162 -9.479 28.435 -5.369 909 HA ALA 162 HA ALA 162 -10.738 26.641 -6.213 910 HB1 ALA 162 HB1 ALA 162 -11.609 26.517 -3.698 911 HB2 ALA 162 HB2 ALA 162 -12.428 25.662 -5.005 912 HB3 ALA 162 HB3 ALA 162 -13.057 27.207 -4.432 913 H LYS 163 HN LYS 163 -11.091 27.577 -8.156 914 HA LYS 163 HA LYS 163 -12.696 29.866 -8.606 915 HB2 LYS 163 HB2 LYS 163 -11.740 27.670 -10.448 916 HB3 LYS 163 HB1 LYS 163 -12.637 29.083 -11.008 917 HG2 LYS 163 HG2 LYS 163 -10.914 30.572 -10.094 918 HG3 LYS 163 HG1 LYS 163 -10.025 29.182 -9.467 919 HD2 LYS 163 HD2 LYS 163 -10.716 29.379 -12.396 920 HD3 LYS 163 HD1 LYS 163 -9.277 30.169 -11.748 921 HE2 LYS 163 HE2 LYS 163 -8.226 28.174 -11.265 922 HE3 LYS 163 HE1 LYS 163 -9.743 27.316 -10.996 923 HZ1 LYS 163 HZ1 LYS 163 -10.149 27.314 -13.355 924 HZ2 LYS 163 HZ2 LYS 163 -8.623 26.634 -13.051 925 HZ3 LYS 163 HZ3 LYS 163 -8.747 28.221 -13.644 926 H GLY 164 HN GLY 164 -13.375 26.404 -8.671 927 HA2 GLY 164 HA2 GLY 164 -15.385 25.277 -8.534 928 HA3 GLY 164 HA1 GLY 164 -16.166 26.824 -8.216 929 H HIS 165 HN HIS 165 -17.592 27.433 -9.707 930 HA HIS 165 HA HIS 165 -18.550 27.837 -11.764 931 HB2 HIS 165 HB2 HIS 165 -15.941 26.734 -12.836 932 HB3 HIS 165 HB1 HIS 165 -17.203 27.480 -13.813 933 HD2 HIS 165 HD2 HIS 165 -17.391 29.684 -10.918 934 HE1 HIS 165 HE1 HIS 165 -14.044 31.209 -12.990 935 HE2 HIS 165 HE2 HIS 165 -15.749 31.698 -11.172 936 H HIS 166 HN HIS 166 -19.981 26.108 -10.961 937 HA HIS 166 HA HIS 166 -19.594 23.480 -12.191 938 HB2 HIS 166 HB2 HIS 166 -21.660 24.532 -10.249 939 HB3 HIS 166 HB1 HIS 166 -21.656 22.890 -10.891 940 HD2 HIS 166 HD2 HIS 166 -19.921 24.923 -8.104 941 HE1 HIS 166 HE1 HIS 166 -17.873 21.241 -8.378 942 HE2 HIS 166 HE2 HIS 166 -18.154 23.352 -6.995 943 H HIS 167 HN HIS 167 -20.805 22.695 -13.844 944 HA HIS 167 HA HIS 167 -22.130 24.503 -15.574 945 HB2 HIS 167 HB2 HIS 167 -21.777 21.539 -15.463 946 HB3 HIS 167 HB1 HIS 167 -22.994 22.203 -16.554 947 HD2 HIS 167 HD2 HIS 167 -19.953 24.533 -16.238 948 HE1 HIS 167 HE1 HIS 167 -19.386 22.296 -19.774 949 HE2 HIS 167 HE2 HIS 167 -18.555 24.284 -18.430 950 H HIS 168 HN HIS 168 -24.314 24.717 -16.094 951 HA HIS 168 HA HIS 168 -26.116 24.512 -13.878 952 HB2 HIS 168 HB2 HIS 168 -26.589 25.255 -16.773 953 HB3 HIS 168 HB1 HIS 168 -27.793 25.397 -15.493 954 HD2 HIS 168 HD2 HIS 168 -26.803 27.180 -13.281 955 HE1 HIS 168 HE1 HIS 168 -24.395 29.390 -15.955 956 HE2 HIS 168 HE2 HIS 168 -25.420 29.368 -13.631 957 H HIS 169 HN HIS 169 -28.210 23.415 -13.973 958 HA HIS 169 HA HIS 169 -27.977 20.665 -14.482 959 HB2 HIS 169 HB2 HIS 169 -29.599 21.607 -12.889 960 HB3 HIS 169 HB1 HIS 169 -30.496 22.330 -14.226 961 HD2 HIS 169 HD2 HIS 169 -29.218 18.745 -14.945 962 HE1 HIS 169 HE1 HIS 169 -33.313 18.421 -13.967 963 HE2 HIS 169 HE2 HIS 169 -31.301 17.170 -14.879 964 H HIS 170 HN HIS 170 -29.559 23.238 -16.360 965 HA HIS 170 HA HIS 170 -30.538 21.543 -18.418 966 HB2 HIS 170 HB2 HIS 170 -30.515 24.349 -17.822 967 HB3 HIS 170 HB1 HIS 170 -30.017 24.111 -19.498 968 HD2 HIS 170 HD2 HIS 170 -32.186 23.823 -21.171 969 HE1 HIS 170 HE1 HIS 170 -34.978 22.440 -18.322 970 HE2 HIS 170 HE2 HIS 170 -34.657 23.087 -20.756 971 H17 V8Y 201 H17 A7 201 -14.253 24.684 20.114 972 H21 V8Y 201 H21 A7 201 -15.081 22.986 18.946 973 H3 V8Y 201 H3 A7 201 -15.099 20.507 18.847 974 H4 V8Y 201 H4 A7 201 -13.136 19.294 17.942 975 H6 V8Y 201 H6 A7 201 -8.859 20.588 16.139 976 H7 V8Y 201 H7 A7 201 -8.854 23.076 16.239 977 H8 V8Y 201 H8 A7 201 -10.811 24.285 17.146 978 H11 V8Y 201 H11 A7 201 -16.226 24.499 19.163 979 H8L V8Y 201 H8L A7 201 -15.721 25.540 17.826 980 H12 V8Y 201 H12 A7 201 -17.222 26.936 18.948 981 H8M V8Y 201 H8M A7 201 -15.666 27.411 19.676 982 H13 V8Y 201 H13 A7 201 -16.073 25.987 21.602 983 H8O V8Y 201 H8O A7 201 -17.559 25.340 20.821 984 H14 V8Y 201 H14 A7 201 -18.254 27.892 20.832 985 H8N V8Y 201 H8N A7 201 -17.075 27.937 22.193 986 H15 V8Y 201 H15 A7 201 -18.598 27.117 23.585 987 H8P V8Y 201 H8P A7 201 -18.801 25.691 22.533 988 H16 V8Y 201 H16 A7 201 -20.292 27.341 21.100 989 H8Q V8Y 201 H8Q A7 201 -20.393 28.246 22.627 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -3.279 8.588 18.301 2 H2 MET 1 HT2 MET 1 -2.758 10.161 18.675 3 H3 MET 1 HT3 MET 1 -2.823 9.647 17.057 4 HA MET 1 HA MET 1 -5.065 10.266 18.880 5 HB2 MET 1 HB2 MET 1 -4.868 11.120 16.027 6 HB3 MET 1 HB1 MET 1 -5.522 11.988 17.415 7 HG2 MET 1 HG2 MET 1 -3.551 13.165 17.115 8 HG3 MET 1 HG1 MET 1 -2.984 11.908 18.215 9 HE1 MET 1 HE1 MET 1 -3.770 11.872 14.183 10 HE2 MET 1 HE2 MET 1 -2.186 12.545 13.805 11 HE3 MET 1 HE3 MET 1 -3.259 13.404 14.906 12 H ASP 2 HN ASP 2 -6.876 10.391 16.649 13 HA ASP 2 HA ASP 2 -7.768 7.681 16.611 14 HB2 ASP 2 HB2 ASP 2 -8.694 10.272 15.478 15 HB3 ASP 2 HB1 ASP 2 -9.279 8.800 14.703 16 H ASP 3 HN ASP 3 -6.810 6.133 15.450 17 HA ASP 3 HA ASP 3 -5.060 6.565 13.284 18 HB2 ASP 3 HB2 ASP 3 -6.639 4.128 14.048 19 HB3 ASP 3 HB1 ASP 3 -5.334 4.138 12.874 20 H ILE 4 HN ILE 4 -8.527 5.815 13.401 21 HA ILE 4 HA ILE 4 -8.992 5.350 10.694 22 HB ILE 4 HB ILE 4 -10.683 5.076 12.492 23 HG12 ILE 4 HG12 ILE 4 -11.106 5.604 9.907 24 HG13 ILE 4 HG11 ILE 4 -12.449 5.430 11.042 25 HG21 ILE 4 HG21 ILE 4 -10.835 8.098 12.374 26 HG22 ILE 4 HG22 ILE 4 -10.131 7.172 13.699 27 HG23 ILE 4 HG23 ILE 4 -11.855 7.041 13.351 28 HD11 ILE 4 HD11 ILE 4 -12.528 7.860 11.356 29 HD12 ILE 4 HD12 ILE 4 -12.685 7.471 9.643 30 HD13 ILE 4 HD13 ILE 4 -11.148 8.058 10.279 31 H TYR 5 HN TYR 5 -8.989 8.437 12.471 32 HA TYR 5 HA TYR 5 -9.421 10.018 10.121 33 HB2 TYR 5 HB2 TYR 5 -8.372 10.774 12.852 34 HB3 TYR 5 HB1 TYR 5 -8.822 11.925 11.600 35 HD1 TYR 5 HD1 TYR 5 -10.137 11.853 14.312 36 HD2 TYR 5 HD2 TYR 5 -11.107 9.836 10.654 37 HE1 TYR 5 HE1 TYR 5 -12.495 11.706 15.014 38 HE2 TYR 5 HE2 TYR 5 -13.479 9.689 11.364 39 HH TYR 5 HH TYR 5 -14.887 11.440 13.422 40 H LYS 6 HN LYS 6 -6.643 8.772 11.849 41 HA LYS 6 HA LYS 6 -4.617 10.356 10.749 42 HB2 LYS 6 HB2 LYS 6 -4.289 8.706 12.602 43 HB3 LYS 6 HB1 LYS 6 -4.491 7.389 11.442 44 HG2 LYS 6 HG2 LYS 6 -2.185 7.589 11.372 45 HG3 LYS 6 HG1 LYS 6 -2.602 8.780 10.137 46 HD2 LYS 6 HD2 LYS 6 -2.579 9.768 12.939 47 HD3 LYS 6 HD1 LYS 6 -1.008 9.350 12.252 48 HE2 LYS 6 HE2 LYS 6 -2.182 10.735 10.181 49 HE3 LYS 6 HE1 LYS 6 -2.806 11.591 11.592 50 HZ1 LYS 6 HZ1 LYS 6 -0.688 12.131 12.307 51 HZ2 LYS 6 HZ2 LYS 6 -0.549 12.292 10.622 52 HZ3 LYS 6 HZ3 LYS 6 0.059 10.910 11.399 53 H ALA 7 HN ALA 7 -6.107 7.356 9.595 54 HA ALA 7 HA ALA 7 -4.625 7.156 7.176 55 HB1 ALA 7 HB1 ALA 7 -7.434 6.121 7.707 56 HB2 ALA 7 HB2 ALA 7 -5.963 5.292 8.222 57 HB3 ALA 7 HB3 ALA 7 -6.282 5.533 6.504 58 H ALA 8 HN ALA 8 -7.577 8.814 8.129 59 HA ALA 8 HA ALA 8 -8.557 9.551 5.610 60 HB1 ALA 8 HB1 ALA 8 -9.908 9.970 7.567 61 HB2 ALA 8 HB2 ALA 8 -9.531 11.542 6.862 62 HB3 ALA 8 HB3 ALA 8 -8.660 10.986 8.291 63 H VAL 9 HN VAL 9 -6.091 11.034 7.680 64 HA VAL 9 HA VAL 9 -5.655 13.350 6.149 65 HB VAL 9 HB VAL 9 -3.735 11.760 7.875 66 HG11 VAL 9 HG11 VAL 9 -3.496 14.395 6.443 67 HG12 VAL 9 HG12 VAL 9 -2.299 13.112 6.627 68 HG13 VAL 9 HG13 VAL 9 -2.674 14.167 7.990 69 HG21 VAL 9 HG21 VAL 9 -5.456 12.508 9.283 70 HG22 VAL 9 HG22 VAL 9 -5.672 14.001 8.377 71 HG23 VAL 9 HG23 VAL 9 -4.258 13.797 9.408 72 H GLU 10 HN GLU 10 -4.107 10.150 6.089 73 HA GLU 10 HA GLU 10 -2.389 10.716 3.866 74 HB2 GLU 10 HB2 GLU 10 -1.930 8.902 5.478 75 HB3 GLU 10 HB1 GLU 10 -3.349 8.026 4.886 76 HG2 GLU 10 HG2 GLU 10 -2.364 7.989 2.623 77 HG3 GLU 10 HG1 GLU 10 -0.956 8.866 3.216 78 H GLN 11 HN GLN 11 -5.663 9.583 4.219 79 HA GLN 11 HA GLN 11 -6.006 8.587 1.576 80 HB2 GLN 11 HB2 GLN 11 -7.929 9.467 3.712 81 HB3 GLN 11 HB1 GLN 11 -8.479 8.899 2.143 82 HG2 GLN 11 HG2 GLN 11 -6.658 7.332 3.989 83 HG3 GLN 11 HG1 GLN 11 -8.398 7.079 3.855 84 HE21 GLN 11 HE21 GLN 11 -5.699 5.593 2.898 85 HE22 GLN 11 HE22 GLN 11 -6.148 5.061 1.350 86 H LEU 12 HN LEU 12 -6.458 11.739 3.084 87 HA LEU 12 HA LEU 12 -7.915 13.048 1.132 88 HB2 LEU 12 HB2 LEU 12 -5.666 14.051 2.884 89 HB3 LEU 12 HB1 LEU 12 -6.639 15.116 1.871 90 HG LEU 12 HG LEU 12 -7.509 13.455 4.235 91 HD11 LEU 12 HD11 LEU 12 -8.367 16.247 3.654 92 HD12 LEU 12 HD12 LEU 12 -6.709 15.975 4.197 93 HD13 LEU 12 HD13 LEU 12 -8.065 15.462 5.203 94 HD21 LEU 12 HD21 LEU 12 -9.204 12.910 2.675 95 HD22 LEU 12 HD22 LEU 12 -9.143 14.505 1.923 96 HD23 LEU 12 HD23 LEU 12 -9.861 14.311 3.522 97 H THR 13 HN THR 13 -7.595 13.492 -0.928 98 HA THR 13 HA THR 13 -5.307 12.695 -2.356 99 HB THR 13 HB THR 13 -7.516 12.975 -3.410 100 HG1 THR 13 HG1 THR 13 -6.170 14.875 -4.814 101 HG21 THR 13 HG21 THR 13 -8.710 14.835 -3.025 102 HG22 THR 13 HG22 THR 13 -7.493 15.786 -3.878 103 HG23 THR 13 HG23 THR 13 -7.349 15.525 -2.141 104 H GLU 14 HN GLU 14 -3.994 14.224 -3.738 105 HA GLU 14 HA GLU 14 -2.452 15.906 -2.104 106 HB2 GLU 14 HB2 GLU 14 -1.646 14.866 -4.197 107 HB3 GLU 14 HB1 GLU 14 -2.673 15.965 -5.117 108 HG2 GLU 14 HG2 GLU 14 -0.708 17.041 -3.105 109 HG3 GLU 14 HG1 GLU 14 -0.176 16.616 -4.731 110 H GLU 15 HN GLU 15 -5.036 16.653 -4.423 111 HA GLU 15 HA GLU 15 -4.799 19.486 -4.157 112 HB2 GLU 15 HB2 GLU 15 -5.996 17.969 -5.973 113 HB3 GLU 15 HB1 GLU 15 -7.386 18.212 -4.913 114 HG2 GLU 15 HG2 GLU 15 -7.495 20.466 -5.334 115 HG3 GLU 15 HG1 GLU 15 -5.754 20.613 -5.574 116 H GLN 16 HN GLN 16 -7.132 17.135 -2.829 117 HA GLN 16 HA GLN 16 -8.619 18.980 -1.317 118 HB2 GLN 16 HB2 GLN 16 -9.148 16.510 -1.893 119 HB3 GLN 16 HB1 GLN 16 -8.191 16.122 -0.463 120 HG2 GLN 16 HG2 GLN 16 -9.689 17.899 0.723 121 HG3 GLN 16 HG1 GLN 16 -10.773 17.653 -0.646 122 HE21 GLN 16 HE21 GLN 16 -10.477 14.875 -1.078 123 HE22 GLN 16 HE22 GLN 16 -11.036 14.037 0.289 124 H LYS 17 HN LYS 17 -5.845 16.939 -0.449 125 HA LYS 17 HA LYS 17 -5.709 17.751 2.267 126 HB2 LYS 17 HB2 LYS 17 -4.573 15.731 1.073 127 HB3 LYS 17 HB1 LYS 17 -3.296 16.888 0.695 128 HG2 LYS 17 HG2 LYS 17 -3.327 17.481 3.201 129 HG3 LYS 17 HG1 LYS 17 -4.270 16.003 3.417 130 HD2 LYS 17 HD2 LYS 17 -1.546 16.152 2.088 131 HD3 LYS 17 HD1 LYS 17 -1.838 15.601 3.737 132 HE2 LYS 17 HE2 LYS 17 -3.343 13.827 2.827 133 HE3 LYS 17 HE1 LYS 17 -2.897 14.332 1.198 134 HZ1 LYS 17 HZ1 LYS 17 -0.498 14.047 2.335 135 HZ2 LYS 17 HZ2 LYS 17 -1.283 12.820 1.461 136 HZ3 LYS 17 HZ3 LYS 17 -1.369 12.845 3.157 137 H ASN 18 HN ASN 18 -4.403 19.032 -0.736 138 HA ASN 18 HA ASN 18 -2.481 20.791 0.292 139 HB2 ASN 18 HB2 ASN 18 -2.903 20.228 -2.155 140 HB3 ASN 18 HB1 ASN 18 -4.270 21.341 -2.095 141 HD21 ASN 18 HD21 ASN 18 -3.458 23.078 -3.348 142 HD22 ASN 18 HD22 ASN 18 -2.039 23.928 -2.962 143 H GLU 19 HN GLU 19 -5.975 21.211 -0.226 144 HA GLU 19 HA GLU 19 -6.108 23.935 0.536 145 HB2 GLU 19 HB2 GLU 19 -8.028 21.701 0.224 146 HB3 GLU 19 HB1 GLU 19 -8.549 23.038 1.241 147 HG2 GLU 19 HG2 GLU 19 -8.263 24.602 -0.520 148 HG3 GLU 19 HG1 GLU 19 -7.373 23.449 -1.508 149 H PHE 20 HN PHE 20 -6.509 20.921 2.383 150 HA PHE 20 HA PHE 20 -7.053 22.177 4.868 151 HB2 PHE 20 HB2 PHE 20 -5.975 19.445 4.147 152 HB3 PHE 20 HB1 PHE 20 -6.282 19.926 5.814 153 HD1 PHE 20 HD1 PHE 20 -7.663 17.781 3.888 154 HD2 PHE 20 HD2 PHE 20 -8.698 21.699 5.292 155 HE1 PHE 20 HE1 PHE 20 -10.070 17.245 3.597 156 HE2 PHE 20 HE2 PHE 20 -11.104 21.170 5.002 157 HZ PHE 20 HZ PHE 20 -11.790 18.942 4.155 158 H LYS 21 HN LYS 21 -4.063 21.162 3.294 159 HA LYS 21 HA LYS 21 -2.302 21.561 5.441 160 HB2 LYS 21 HB2 LYS 21 -1.749 20.455 3.248 161 HB3 LYS 21 HB1 LYS 21 -1.704 22.059 2.515 162 HG2 LYS 21 HG2 LYS 21 0.562 21.372 3.155 163 HG3 LYS 21 HG1 LYS 21 0.044 22.732 4.155 164 HD2 LYS 21 HD2 LYS 21 -0.297 21.384 6.042 165 HD3 LYS 21 HD1 LYS 21 -0.455 19.917 5.069 166 HE2 LYS 21 HE2 LYS 21 1.723 19.975 6.258 167 HE3 LYS 21 HE1 LYS 21 1.943 20.013 4.508 168 HZ1 LYS 21 HZ1 LYS 21 1.935 22.396 6.280 169 HZ2 LYS 21 HZ2 LYS 21 2.211 22.392 4.604 170 HZ3 LYS 21 HZ3 LYS 21 3.325 21.653 5.652 171 H ALA 22 HN ALA 22 -3.555 23.792 2.985 172 HA ALA 22 HA ALA 22 -1.999 26.040 3.662 173 HB1 ALA 22 HB1 ALA 22 -3.740 27.340 2.525 174 HB2 ALA 22 HB2 ALA 22 -4.838 25.961 2.605 175 HB3 ALA 22 HB3 ALA 22 -3.383 25.873 1.611 176 H ALA 23 HN ALA 23 -5.109 24.851 4.876 177 HA ALA 23 HA ALA 23 -5.689 27.013 6.603 178 HB1 ALA 23 HB1 ALA 23 -6.634 24.241 6.247 179 HB2 ALA 23 HB2 ALA 23 -7.552 25.724 6.512 180 HB3 ALA 23 HB3 ALA 23 -6.817 24.884 7.878 181 H PHE 24 HN PHE 24 -3.799 24.060 7.027 182 HA PHE 24 HA PHE 24 -3.372 24.181 9.779 183 HB2 PHE 24 HB2 PHE 24 -2.649 22.216 8.764 184 HB3 PHE 24 HB1 PHE 24 -1.765 23.071 7.504 185 HD1 PHE 24 HD1 PHE 24 -1.809 22.503 11.216 186 HD2 PHE 24 HD2 PHE 24 0.526 23.491 7.746 187 HE1 PHE 24 HE1 PHE 24 0.257 22.408 12.576 188 HE2 PHE 24 HE2 PHE 24 2.593 23.392 9.110 189 HZ PHE 24 HZ PHE 24 2.458 22.852 11.525 190 H ASP 25 HN ASP 25 -1.431 25.556 7.129 191 HA ASP 25 HA ASP 25 0.530 26.785 8.744 192 HB2 ASP 25 HB2 ASP 25 0.775 26.413 6.306 193 HB3 ASP 25 HB1 ASP 25 -0.448 27.649 6.019 194 H ILE 26 HN ILE 26 -2.592 27.907 7.527 195 HA ILE 26 HA ILE 26 -2.405 30.606 8.227 196 HB ILE 26 HB ILE 26 -4.638 28.674 7.815 197 HG12 ILE 26 HG12 ILE 26 -5.133 31.097 6.550 198 HG13 ILE 26 HG11 ILE 26 -3.377 30.963 6.502 199 HG21 ILE 26 HG21 ILE 26 -4.793 31.159 9.460 200 HG22 ILE 26 HG22 ILE 26 -5.759 29.688 9.553 201 HG23 ILE 26 HG23 ILE 26 -6.090 30.880 8.298 202 HD11 ILE 26 HD11 ILE 26 -5.064 29.767 4.703 203 HD12 ILE 26 HD12 ILE 26 -4.811 28.464 5.864 204 HD13 ILE 26 HD13 ILE 26 -3.430 29.205 5.058 205 H PHE 27 HN PHE 27 -3.590 27.851 10.149 206 HA PHE 27 HA PHE 27 -4.268 29.331 12.445 207 HB2 PHE 27 HB2 PHE 27 -3.613 26.457 11.919 208 HB3 PHE 27 HB1 PHE 27 -3.780 27.027 13.578 209 HD1 PHE 27 HD1 PHE 27 -5.515 26.987 10.296 210 HD2 PHE 27 HD2 PHE 27 -5.897 27.328 14.539 211 HE1 PHE 27 HE1 PHE 27 -7.973 26.867 10.076 212 HE2 PHE 27 HE2 PHE 27 -8.367 27.235 14.333 213 HZ PHE 27 HZ PHE 27 -9.410 27.005 12.094 214 H VAL 28 HN VAL 28 -1.259 27.728 11.478 215 HA VAL 28 HA VAL 28 0.095 28.846 13.836 216 HB VAL 28 HB VAL 28 1.976 27.338 13.125 217 HG11 VAL 28 HG11 VAL 28 -0.768 26.376 13.854 218 HG12 VAL 28 HG12 VAL 28 0.692 26.428 14.840 219 HG13 VAL 28 HG13 VAL 28 0.516 25.197 13.587 220 HG21 VAL 28 HG21 VAL 28 0.703 27.297 10.725 221 HG22 VAL 28 HG22 VAL 28 0.107 25.795 11.430 222 HG23 VAL 28 HG23 VAL 28 1.841 26.053 11.244 223 H LEU 29 HN LEU 29 -0.735 30.310 11.321 224 HA LEU 29 HA LEU 29 1.479 30.902 9.715 225 HB2 LEU 29 HB2 LEU 29 -1.118 31.702 9.749 226 HB3 LEU 29 HB1 LEU 29 -0.326 33.159 10.347 227 HG LEU 29 HG LEU 29 1.226 32.138 8.177 228 HD11 LEU 29 HD11 LEU 29 -1.761 32.318 7.684 229 HD12 LEU 29 HD12 LEU 29 -0.684 30.969 7.319 230 HD13 LEU 29 HD13 LEU 29 -0.568 32.463 6.392 231 HD21 LEU 29 HD21 LEU 29 1.092 34.486 8.919 232 HD22 LEU 29 HD22 LEU 29 -0.600 34.550 8.424 233 HD23 LEU 29 HD23 LEU 29 0.667 34.348 7.213 234 H GLY 30 HN GLY 30 3.404 31.277 10.702 235 HA2 GLY 30 HA2 GLY 30 4.910 32.994 11.430 236 HA3 GLY 30 HA1 GLY 30 3.591 33.712 12.350 237 H ALA 31 HN ALA 31 3.178 30.559 12.915 238 HA ALA 31 HA ALA 31 4.064 30.630 15.581 239 HB1 ALA 31 HB1 ALA 31 3.456 28.239 13.819 240 HB2 ALA 31 HB2 ALA 31 2.297 29.103 14.834 241 HB3 ALA 31 HB3 ALA 31 3.613 28.191 15.576 242 H GLU 32 HN GLU 32 5.902 29.984 16.588 243 HA GLU 32 HA GLU 32 8.312 29.898 15.106 244 HB2 GLU 32 HB2 GLU 32 7.694 29.205 17.979 245 HB3 GLU 32 HB1 GLU 32 9.326 29.234 17.311 246 HG2 GLU 32 HG2 GLU 32 9.023 31.592 16.659 247 HG3 GLU 32 HG1 GLU 32 7.391 31.567 17.322 248 H ASP 33 HN ASP 33 6.352 27.375 16.641 249 HA ASP 33 HA ASP 33 8.188 25.298 15.709 250 HB2 ASP 33 HB2 ASP 33 7.266 25.096 17.966 251 HB3 ASP 33 HB1 ASP 33 5.629 25.124 17.315 252 H GLY 34 HN GLY 34 5.206 26.795 14.832 253 HA2 GLY 34 HA2 GLY 34 4.148 26.620 12.742 254 HA3 GLY 34 HA1 GLY 34 5.049 25.140 12.434 255 H SER 35 HN SER 35 4.082 24.574 15.417 256 HA SER 35 HA SER 35 1.826 22.949 14.578 257 HB2 SER 35 HB2 SER 35 1.905 22.039 16.827 258 HB3 SER 35 HB1 SER 35 3.536 22.099 16.173 259 HG SER 35 HG SER 35 3.971 23.233 17.882 260 H ILE 36 HN ILE 36 -0.305 23.336 15.005 261 HA ILE 36 HA ILE 36 -1.110 25.984 15.689 262 HB ILE 36 HB ILE 36 -2.688 23.417 15.463 263 HG12 ILE 36 HG12 ILE 36 -2.466 25.731 13.527 264 HG13 ILE 36 HG11 ILE 36 -1.469 24.279 13.416 265 HG21 ILE 36 HG21 ILE 36 -3.453 26.188 16.171 266 HG22 ILE 36 HG22 ILE 36 -4.249 24.661 16.569 267 HG23 ILE 36 HG23 ILE 36 -4.470 25.388 14.975 268 HD11 ILE 36 HD11 ILE 36 -3.432 24.057 11.959 269 HD12 ILE 36 HD12 ILE 36 -4.500 24.365 13.327 270 HD13 ILE 36 HD13 ILE 36 -3.528 22.894 13.284 271 H SER 37 HN SER 37 -0.701 26.700 17.712 272 HA SER 37 HA SER 37 -1.319 24.944 19.991 273 HB2 SER 37 HB2 SER 37 0.101 26.270 21.281 274 HB3 SER 37 HB1 SER 37 0.875 26.358 19.701 275 HG SER 37 HG SER 37 0.127 28.360 21.111 276 H THR 38 HN THR 38 -2.595 25.762 21.756 277 HA THR 38 HA THR 38 -5.081 26.655 21.166 278 HB THR 38 HB THR 38 -4.729 27.915 23.557 279 HG1 THR 38 HG1 THR 38 -2.745 27.482 24.110 280 HG21 THR 38 HG21 THR 38 -5.023 25.321 24.344 281 HG22 THR 38 HG22 THR 38 -5.450 25.203 22.634 282 HG23 THR 38 HG23 THR 38 -6.327 26.313 23.689 283 H LYS 39 HN LYS 39 -2.239 28.707 21.643 284 HA LYS 39 HA LYS 39 -3.608 31.196 21.502 285 HB2 LYS 39 HB2 LYS 39 -0.739 30.444 20.897 286 HB3 LYS 39 HB1 LYS 39 -1.334 32.102 20.983 287 HG2 LYS 39 HG2 LYS 39 -2.105 30.460 23.296 288 HG3 LYS 39 HG1 LYS 39 -0.360 30.665 23.125 289 HD2 LYS 39 HD2 LYS 39 -0.473 32.817 23.778 290 HD3 LYS 39 HD1 LYS 39 -1.759 33.161 22.620 291 HE2 LYS 39 HE2 LYS 39 -2.835 31.533 24.720 292 HE3 LYS 39 HE1 LYS 39 -1.984 32.897 25.444 293 HZ1 LYS 39 HZ1 LYS 39 -3.212 34.270 23.688 294 HZ2 LYS 39 HZ2 LYS 39 -4.093 33.723 25.033 295 HZ3 LYS 39 HZ3 LYS 39 -4.236 32.927 23.539 296 H GLU 40 HN GLU 40 -1.906 29.224 19.078 297 HA GLU 40 HA GLU 40 -2.425 30.972 16.884 298 HB2 GLU 40 HB2 GLU 40 -1.459 28.155 17.168 299 HB3 GLU 40 HB1 GLU 40 -1.936 28.751 15.581 300 HG2 GLU 40 HG2 GLU 40 0.495 29.084 16.052 301 HG3 GLU 40 HG1 GLU 40 -0.360 30.593 15.749 302 H LEU 41 HN LEU 41 -4.057 28.140 18.211 303 HA LEU 41 HA LEU 41 -5.931 27.739 16.171 304 HB2 LEU 41 HB2 LEU 41 -5.433 26.205 18.134 305 HB3 LEU 41 HB1 LEU 41 -6.439 27.273 19.115 306 HG LEU 41 HG LEU 41 -7.629 26.422 16.537 307 HD11 LEU 41 HD11 LEU 41 -6.340 24.452 17.982 308 HD12 LEU 41 HD12 LEU 41 -7.699 24.186 16.891 309 HD13 LEU 41 HD13 LEU 41 -7.983 24.383 18.620 310 HD21 LEU 41 HD21 LEU 41 -8.465 27.583 18.931 311 HD22 LEU 41 HD22 LEU 41 -9.086 25.933 19.021 312 HD23 LEU 41 HD23 LEU 41 -9.517 26.966 17.657 313 H GLY 42 HN GLY 42 -6.181 29.642 19.175 314 HA2 GLY 42 HA2 GLY 42 -8.802 30.592 18.720 315 HA3 GLY 42 HA1 GLY 42 -7.616 31.355 19.767 316 H LYS 43 HN LYS 43 -5.630 31.787 17.687 317 HA LYS 43 HA LYS 43 -6.272 34.326 16.786 318 HB2 LYS 43 HB2 LYS 43 -4.022 33.806 16.602 319 HB3 LYS 43 HB1 LYS 43 -4.335 32.235 15.869 320 HG2 LYS 43 HG2 LYS 43 -5.413 34.304 14.174 321 HG3 LYS 43 HG1 LYS 43 -3.729 34.667 14.544 322 HD2 LYS 43 HD2 LYS 43 -4.355 31.840 13.867 323 HD3 LYS 43 HD1 LYS 43 -4.435 33.008 12.547 324 HE2 LYS 43 HE2 LYS 43 -2.091 33.474 14.190 325 HE3 LYS 43 HE1 LYS 43 -2.116 31.815 13.592 326 HZ1 LYS 43 HZ1 LYS 43 -2.570 32.746 11.355 327 HZ2 LYS 43 HZ2 LYS 43 -1.048 33.174 11.977 328 HZ3 LYS 43 HZ3 LYS 43 -2.319 34.300 11.984 329 H VAL 44 HN VAL 44 -6.191 31.403 14.723 330 HA VAL 44 HA VAL 44 -7.582 32.538 12.528 331 HB VAL 44 HB VAL 44 -7.078 29.712 13.455 332 HG11 VAL 44 HG11 VAL 44 -9.012 30.691 11.402 333 HG12 VAL 44 HG12 VAL 44 -9.159 29.344 12.534 334 HG13 VAL 44 HG13 VAL 44 -8.121 29.196 11.113 335 HG21 VAL 44 HG21 VAL 44 -5.771 29.627 11.415 336 HG22 VAL 44 HG22 VAL 44 -5.320 31.088 12.295 337 HG23 VAL 44 HG23 VAL 44 -6.394 31.196 10.902 338 H MET 45 HN MET 45 -8.695 31.103 15.524 339 HA MET 45 HA MET 45 -11.383 30.650 14.839 340 HB2 MET 45 HB2 MET 45 -10.045 31.383 17.441 341 HB3 MET 45 HB1 MET 45 -11.765 31.031 17.336 342 HG2 MET 45 HG2 MET 45 -9.659 29.134 16.301 343 HG3 MET 45 HG1 MET 45 -10.252 29.069 17.961 344 HE1 MET 45 HE1 MET 45 -12.935 29.686 18.148 345 HE2 MET 45 HE2 MET 45 -12.488 28.072 18.691 346 HE3 MET 45 HE3 MET 45 -13.933 28.295 17.701 347 H ARG 46 HN ARG 46 -9.729 33.562 16.008 348 HA ARG 46 HA ARG 46 -12.069 35.198 16.141 349 HB2 ARG 46 HB2 ARG 46 -9.144 35.936 15.885 350 HB3 ARG 46 HB1 ARG 46 -10.446 37.085 16.194 351 HG2 ARG 46 HG2 ARG 46 -11.058 35.790 18.241 352 HG3 ARG 46 HG1 ARG 46 -9.675 34.736 17.951 353 HD2 ARG 46 HD2 ARG 46 -8.980 36.406 19.541 354 HD3 ARG 46 HD1 ARG 46 -8.207 36.783 18.003 355 HE ARG 46 HE ARG 46 -10.616 38.195 18.068 356 HH11 ARG 46 HH11 ARG 46 -7.639 37.993 19.818 357 HH12 ARG 46 HH12 ARG 46 -7.649 39.658 20.299 358 HH21 ARG 46 HH21 ARG 46 -10.637 40.379 18.693 359 HH22 ARG 46 HH22 ARG 46 -9.346 41.008 19.663 360 H MET 47 HN MET 47 -9.828 34.320 13.632 361 HA MET 47 HA MET 47 -10.480 36.311 11.747 362 HB2 MET 47 HB2 MET 47 -9.522 33.470 11.376 363 HB3 MET 47 HB1 MET 47 -9.660 34.630 10.064 364 HG2 MET 47 HG2 MET 47 -8.260 36.156 11.727 365 HG3 MET 47 HG1 MET 47 -7.757 34.586 12.350 366 HE1 MET 47 HE1 MET 47 -7.678 32.694 10.666 367 HE2 MET 47 HE2 MET 47 -6.448 32.696 9.406 368 HE3 MET 47 HE3 MET 47 -8.114 33.103 9.002 369 H LEU 48 HN LEU 48 -11.994 33.250 12.582 370 HA LEU 48 HA LEU 48 -13.962 33.483 10.443 371 HB2 LEU 48 HB2 LEU 48 -14.013 31.422 12.622 372 HB3 LEU 48 HB1 LEU 48 -14.608 31.308 10.965 373 HG LEU 48 HG LEU 48 -11.694 31.542 11.756 374 HD11 LEU 48 HD11 LEU 48 -12.646 29.378 12.339 375 HD12 LEU 48 HD12 LEU 48 -11.563 29.225 10.954 376 HD13 LEU 48 HD13 LEU 48 -13.312 29.219 10.713 377 HD21 LEU 48 HD21 LEU 48 -11.241 31.912 9.577 378 HD22 LEU 48 HD22 LEU 48 -12.963 32.219 9.355 379 HD23 LEU 48 HD23 LEU 48 -12.311 30.606 9.070 380 H GLY 49 HN GLY 49 -13.591 34.944 13.329 381 HA2 GLY 49 HA2 GLY 49 -15.261 36.384 14.249 382 HA3 GLY 49 HA1 GLY 49 -16.496 35.258 13.691 383 H GLN 50 HN GLN 50 -14.123 33.365 14.899 384 HA GLN 50 HA GLN 50 -15.582 32.891 17.372 385 HB2 GLN 50 HB2 GLN 50 -13.139 31.498 16.268 386 HB3 GLN 50 HB1 GLN 50 -14.154 30.944 17.600 387 HG2 GLN 50 HG2 GLN 50 -15.010 31.314 14.704 388 HG3 GLN 50 HG1 GLN 50 -14.796 29.774 15.542 389 HE21 GLN 50 HE21 GLN 50 -16.150 29.859 17.823 390 HE22 GLN 50 HE22 GLN 50 -17.759 30.361 17.627 391 H ASN 51 HN ASN 51 -14.931 33.419 19.389 392 HA ASN 51 HA ASN 51 -12.192 34.467 19.684 393 HB2 ASN 51 HB2 ASN 51 -13.087 36.210 21.207 394 HB3 ASN 51 HB1 ASN 51 -13.689 36.388 19.559 395 HD21 ASN 51 HD21 ASN 51 -15.707 37.416 20.218 396 HD22 ASN 51 HD22 ASN 51 -16.915 36.556 21.042 397 HA PRO 52 HA PRO 52 -13.365 31.408 23.019 398 HB2 PRO 52 HB2 PRO 52 -11.297 29.663 21.953 399 HB3 PRO 52 HB1 PRO 52 -13.025 29.347 22.127 400 HG2 PRO 52 HG2 PRO 52 -11.762 29.634 19.756 401 HG3 PRO 52 HG1 PRO 52 -13.470 29.998 20.027 402 HD2 PRO 52 HD2 PRO 52 -11.157 31.886 19.846 403 HD3 PRO 52 HD1 PRO 52 -12.795 32.053 19.205 404 H THR 53 HN THR 53 -12.044 30.799 24.852 405 HA THR 53 HA THR 53 -9.701 32.520 25.179 406 HB THR 53 HB THR 53 -9.849 31.850 27.554 407 HG1 THR 53 HG1 THR 53 -10.791 30.021 27.891 408 HG21 THR 53 HG21 THR 53 -11.127 33.774 26.836 409 HG22 THR 53 HG22 THR 53 -12.107 32.851 27.975 410 HG23 THR 53 HG23 THR 53 -12.430 32.744 26.244 411 HA PRO 54 HA PRO 54 -6.564 29.530 24.586 412 HB2 PRO 54 HB2 PRO 54 -5.478 30.360 27.241 413 HB3 PRO 54 HB1 PRO 54 -4.687 30.335 25.654 414 HG2 PRO 54 HG2 PRO 54 -5.461 32.603 26.748 415 HG3 PRO 54 HG1 PRO 54 -5.610 32.339 25.007 416 HD2 PRO 54 HD2 PRO 54 -7.740 32.310 27.115 417 HD3 PRO 54 HD1 PRO 54 -7.826 32.873 25.430 418 H GLU 55 HN GLU 55 -7.823 29.678 27.927 419 HA GLU 55 HA GLU 55 -7.046 27.079 28.710 420 HB2 GLU 55 HB2 GLU 55 -9.265 28.906 29.645 421 HB3 GLU 55 HB1 GLU 55 -8.920 27.358 30.411 422 HG2 GLU 55 HG2 GLU 55 -6.702 28.058 30.986 423 HG3 GLU 55 HG1 GLU 55 -6.845 29.522 30.019 424 H GLU 56 HN GLU 56 -10.052 28.313 27.276 425 HA GLU 56 HA GLU 56 -11.349 25.762 27.209 426 HB2 GLU 56 HB2 GLU 56 -12.596 27.900 27.204 427 HB3 GLU 56 HB1 GLU 56 -11.957 28.241 25.596 428 HG2 GLU 56 HG2 GLU 56 -14.151 27.263 25.321 429 HG3 GLU 56 HG1 GLU 56 -12.960 26.065 24.818 430 H LEU 57 HN LEU 57 -9.438 27.667 24.946 431 HA LEU 57 HA LEU 57 -9.834 26.125 22.629 432 HB2 LEU 57 HB2 LEU 57 -7.635 27.946 23.526 433 HB3 LEU 57 HB1 LEU 57 -7.519 27.073 22.006 434 HG LEU 57 HG LEU 57 -9.875 28.809 22.781 435 HD11 LEU 57 HD11 LEU 57 -8.235 30.400 22.471 436 HD12 LEU 57 HD12 LEU 57 -8.769 30.164 20.802 437 HD13 LEU 57 HD13 LEU 57 -7.303 29.367 21.387 438 HD21 LEU 57 HD21 LEU 57 -9.623 28.573 20.010 439 HD22 LEU 57 HD22 LEU 57 -10.813 27.748 21.023 440 HD23 LEU 57 HD23 LEU 57 -9.291 26.951 20.623 441 H GLN 58 HN GLN 58 -7.951 25.559 25.470 442 HA GLN 58 HA GLN 58 -6.065 23.729 24.428 443 HB2 GLN 58 HB2 GLN 58 -5.906 24.786 26.672 444 HB3 GLN 58 HB1 GLN 58 -7.259 23.788 27.208 445 HG2 GLN 58 HG2 GLN 58 -5.860 21.782 26.399 446 HG3 GLN 58 HG1 GLN 58 -4.504 22.904 26.354 447 HE21 GLN 58 HE21 GLN 58 -4.993 20.565 28.221 448 HE22 GLN 58 HE22 GLN 58 -4.920 21.229 29.781 449 H GLU 59 HN GLU 59 -9.348 23.310 25.702 450 HA GLU 59 HA GLU 59 -9.390 20.493 25.788 451 HB2 GLU 59 HB2 GLU 59 -11.582 22.542 25.376 452 HB3 GLU 59 HB1 GLU 59 -11.901 20.819 25.569 453 HG2 GLU 59 HG2 GLU 59 -10.923 20.803 27.764 454 HG3 GLU 59 HG1 GLU 59 -10.302 22.440 27.565 455 H MET 60 HN MET 60 -10.265 22.750 23.220 456 HA MET 60 HA MET 60 -11.095 20.769 21.350 457 HB2 MET 60 HB2 MET 60 -10.213 22.948 19.846 458 HB3 MET 60 HB1 MET 60 -11.855 22.657 20.416 459 HG2 MET 60 HG2 MET 60 -9.803 24.006 22.159 460 HG3 MET 60 HG1 MET 60 -10.799 24.926 21.032 461 HE1 MET 60 HE1 MET 60 -12.542 26.341 22.783 462 HE2 MET 60 HE2 MET 60 -13.991 25.405 22.425 463 HE3 MET 60 HE3 MET 60 -12.758 25.615 21.185 464 H ILE 61 HN ILE 61 -8.022 22.393 21.981 465 HA ILE 61 HA ILE 61 -6.573 21.409 19.764 466 HB ILE 61 HB ILE 61 -5.724 22.235 22.534 467 HG12 ILE 61 HG12 ILE 61 -6.052 23.505 19.851 468 HG13 ILE 61 HG11 ILE 61 -6.313 24.191 21.443 469 HG21 ILE 61 HG21 ILE 61 -4.220 20.495 21.319 470 HG22 ILE 61 HG22 ILE 61 -3.468 21.978 21.906 471 HG23 ILE 61 HG23 ILE 61 -3.863 21.811 20.197 472 HD11 ILE 61 HD11 ILE 61 -4.355 25.161 20.232 473 HD12 ILE 61 HD12 ILE 61 -3.587 23.575 20.287 474 HD13 ILE 61 HD13 ILE 61 -3.930 24.442 21.786 475 H ASP 62 HN ASP 62 -6.983 20.137 23.072 476 HA ASP 62 HA ASP 62 -5.310 17.898 22.843 477 HB2 ASP 62 HB2 ASP 62 -6.200 18.724 24.974 478 HB3 ASP 62 HB1 ASP 62 -7.816 18.211 24.497 479 H GLU 63 HN GLU 63 -8.696 18.370 21.968 480 HA GLU 63 HA GLU 63 -9.554 15.798 21.517 481 HB2 GLU 63 HB2 GLU 63 -11.002 17.723 21.175 482 HB3 GLU 63 HB1 GLU 63 -10.041 18.237 19.791 483 HG2 GLU 63 HG2 GLU 63 -10.639 16.231 18.566 484 HG3 GLU 63 HG1 GLU 63 -11.479 15.577 19.972 485 H VAL 64 HN VAL 64 -7.357 17.729 19.558 486 HA VAL 64 HA VAL 64 -6.935 15.371 17.823 487 HB VAL 64 HB VAL 64 -6.033 17.189 16.201 488 HG11 VAL 64 HG11 VAL 64 -8.478 17.672 15.515 489 HG12 VAL 64 HG12 VAL 64 -8.929 16.674 16.898 490 HG13 VAL 64 HG13 VAL 64 -7.983 15.982 15.574 491 HG21 VAL 64 HG21 VAL 64 -8.030 19.025 17.334 492 HG22 VAL 64 HG22 VAL 64 -6.431 19.370 16.677 493 HG23 VAL 64 HG23 VAL 64 -6.598 18.822 18.345 494 H ASP 65 HN ASP 65 -5.639 16.843 20.373 495 HA ASP 65 HA ASP 65 -2.863 16.520 19.404 496 HB2 ASP 65 HB2 ASP 65 -3.518 18.836 20.135 497 HB3 ASP 65 HB1 ASP 65 -3.773 18.185 21.754 498 H GLU 66 HN GLU 66 -2.999 14.244 19.867 499 HA GLU 66 HA GLU 66 -3.600 13.251 22.474 500 HB2 GLU 66 HB2 GLU 66 -3.747 11.863 20.440 501 HB3 GLU 66 HB1 GLU 66 -1.995 11.950 20.278 502 HG2 GLU 66 HG2 GLU 66 -1.751 10.910 22.513 503 HG3 GLU 66 HG1 GLU 66 -3.505 10.800 22.637 504 H ASP 67 HN ASP 67 -0.867 14.794 21.117 505 HA ASP 67 HA ASP 67 1.126 13.583 22.793 506 HB2 ASP 67 HB2 ASP 67 1.357 16.292 21.496 507 HB3 ASP 67 HB1 ASP 67 2.629 15.117 21.824 508 H GLY 68 HN GLY 68 -1.318 15.882 23.315 509 HA2 GLY 68 HA2 GLY 68 -1.873 17.140 25.157 510 HA3 GLY 68 HA1 GLY 68 -0.620 16.268 26.036 511 H SER 69 HN SER 69 0.492 17.747 23.193 512 HA SER 69 HA SER 69 2.154 19.571 24.670 513 HB2 SER 69 HB2 SER 69 3.064 20.166 22.475 514 HB3 SER 69 HB1 SER 69 2.971 18.415 22.656 515 HG SER 69 HG SER 69 0.921 18.574 21.544 516 H GLY 70 HN GLY 70 -0.977 19.734 23.404 517 HA2 GLY 70 HA2 GLY 70 -2.495 21.481 23.429 518 HA3 GLY 70 HA1 GLY 70 -1.234 22.517 24.089 519 H THR 71 HN THR 71 -0.366 20.789 21.283 520 HA THR 71 HA THR 71 -1.021 23.068 19.541 521 HB THR 71 HB THR 71 1.362 22.417 18.529 522 HG1 THR 71 HG1 THR 71 2.312 21.125 19.854 523 HG21 THR 71 HG21 THR 71 1.016 24.653 19.053 524 HG22 THR 71 HG22 THR 71 2.263 24.209 20.219 525 HG23 THR 71 HG23 THR 71 0.575 24.299 20.726 526 H VAL 72 HN VAL 72 -2.242 22.308 17.948 527 HA VAL 72 HA VAL 72 -2.012 19.527 17.088 528 HB VAL 72 HB VAL 72 -4.269 19.875 17.047 529 HG11 VAL 72 HG11 VAL 72 -3.505 22.783 16.921 530 HG12 VAL 72 HG12 VAL 72 -4.378 21.924 18.185 531 HG13 VAL 72 HG13 VAL 72 -5.173 22.286 16.653 532 HG21 VAL 72 HG21 VAL 72 -5.039 20.242 14.906 533 HG22 VAL 72 HG22 VAL 72 -3.327 19.982 14.573 534 HG23 VAL 72 HG23 VAL 72 -3.974 21.622 14.637 535 H ASP 73 HN ASP 73 -0.346 19.202 15.717 536 HA ASP 73 HA ASP 73 0.579 21.191 13.864 537 HB2 ASP 73 HB2 ASP 73 1.455 18.660 14.845 538 HB3 ASP 73 HB1 ASP 73 1.436 18.600 13.085 539 H PHE 74 HN PHE 74 1.036 19.695 11.550 540 HA PHE 74 HA PHE 74 -1.282 20.187 10.068 541 HB2 PHE 74 HB2 PHE 74 0.662 20.083 8.792 542 HB3 PHE 74 HB1 PHE 74 1.207 18.591 9.562 543 HD1 PHE 74 HD1 PHE 74 -2.213 19.299 8.286 544 HD2 PHE 74 HD2 PHE 74 1.466 17.169 7.663 545 HE1 PHE 74 HE1 PHE 74 -3.295 17.958 6.487 546 HE2 PHE 74 HE2 PHE 74 0.392 15.834 5.871 547 HZ PHE 74 HZ PHE 74 -1.986 16.228 5.286 548 H ASP 75 HN ASP 75 0.034 17.066 11.186 549 HA ASP 75 HA ASP 75 -2.132 15.507 10.231 550 HB2 ASP 75 HB2 ASP 75 -1.225 13.905 12.100 551 HB3 ASP 75 HB1 ASP 75 -0.253 14.233 10.667 552 H GLU 76 HN GLU 76 -1.452 16.994 13.377 553 HA GLU 76 HA GLU 76 -3.654 15.899 14.766 554 HB2 GLU 76 HB2 GLU 76 -2.111 18.477 15.148 555 HB3 GLU 76 HB1 GLU 76 -3.333 17.897 16.280 556 HG2 GLU 76 HG2 GLU 76 -2.055 15.797 16.569 557 HG3 GLU 76 HG1 GLU 76 -0.825 16.403 15.460 558 H PHE 77 HN PHE 77 -3.300 18.887 12.869 559 HA PHE 77 HA PHE 77 -5.979 19.770 13.398 560 HB2 PHE 77 HB2 PHE 77 -5.214 21.684 12.481 561 HB3 PHE 77 HB1 PHE 77 -3.655 20.886 12.266 562 HD1 PHE 77 HD1 PHE 77 -6.890 21.672 10.651 563 HD2 PHE 77 HD2 PHE 77 -2.940 20.096 10.108 564 HE1 PHE 77 HE1 PHE 77 -7.205 21.713 8.198 565 HE2 PHE 77 HE2 PHE 77 -3.261 20.153 7.647 566 HZ PHE 77 HZ PHE 77 -5.388 20.963 6.700 567 H LEU 78 HN LEU 78 -4.363 18.114 10.720 568 HA LEU 78 HA LEU 78 -6.410 18.062 8.863 569 HB2 LEU 78 HB2 LEU 78 -3.939 17.037 8.901 570 HB3 LEU 78 HB1 LEU 78 -4.843 15.562 9.240 571 HG LEU 78 HG LEU 78 -4.517 15.884 6.808 572 HD11 LEU 78 HD11 LEU 78 -6.531 14.976 6.435 573 HD12 LEU 78 HD12 LEU 78 -7.364 16.452 6.926 574 HD13 LEU 78 HD13 LEU 78 -6.868 15.272 8.140 575 HD21 LEU 78 HD21 LEU 78 -5.047 17.800 5.709 576 HD22 LEU 78 HD22 LEU 78 -4.821 18.527 7.301 577 HD23 LEU 78 HD23 LEU 78 -6.443 18.126 6.735 578 H VAL 79 HN VAL 79 -5.941 16.133 11.763 579 HA VAL 79 HA VAL 79 -7.922 14.181 11.323 580 HB VAL 79 HB VAL 79 -6.804 15.390 13.841 581 HG11 VAL 79 HG11 VAL 79 -8.754 13.099 13.505 582 HG12 VAL 79 HG12 VAL 79 -9.047 14.614 14.363 583 HG13 VAL 79 HG13 VAL 79 -7.879 13.454 14.996 584 HG21 VAL 79 HG21 VAL 79 -6.260 12.640 13.613 585 HG22 VAL 79 HG22 VAL 79 -5.122 13.959 13.339 586 HG23 VAL 79 HG23 VAL 79 -6.035 13.288 11.989 587 H MET 80 HN MET 80 -8.077 17.397 12.830 588 HA MET 80 HA MET 80 -10.733 17.307 13.660 589 HB2 MET 80 HB2 MET 80 -10.503 19.526 14.142 590 HB3 MET 80 HB1 MET 80 -8.801 19.161 13.859 591 HG2 MET 80 HG2 MET 80 -9.051 19.811 11.516 592 HG3 MET 80 HG1 MET 80 -10.742 20.204 11.790 593 HE1 MET 80 HE1 MET 80 -7.041 21.060 12.522 594 HE2 MET 80 HE2 MET 80 -7.670 20.613 14.105 595 HE3 MET 80 HE3 MET 80 -7.159 22.272 13.803 596 H MET 81 HN MET 81 -9.333 18.146 10.538 597 HA MET 81 HA MET 81 -11.695 19.029 9.277 598 HB2 MET 81 HB2 MET 81 -9.210 17.743 8.178 599 HB3 MET 81 HB1 MET 81 -10.491 18.382 7.161 600 HG2 MET 81 HG2 MET 81 -8.929 19.948 9.210 601 HG3 MET 81 HG1 MET 81 -8.697 20.034 7.468 602 HE1 MET 81 HE1 MET 81 -9.687 21.398 10.279 603 HE2 MET 81 HE2 MET 81 -11.439 21.292 10.429 604 HE3 MET 81 HE3 MET 81 -10.700 22.783 9.851 605 H VAL 82 HN VAL 82 -10.200 15.836 9.468 606 HA VAL 82 HA VAL 82 -12.314 14.541 7.998 607 HB VAL 82 HB VAL 82 -10.553 13.148 7.746 608 HG11 VAL 82 HG11 VAL 82 -8.877 14.504 8.658 609 HG12 VAL 82 HG12 VAL 82 -8.754 13.026 9.617 610 HG13 VAL 82 HG13 VAL 82 -9.578 14.440 10.270 611 HG21 VAL 82 HG21 VAL 82 -12.164 11.893 9.255 612 HG22 VAL 82 HG22 VAL 82 -11.120 12.325 10.612 613 HG23 VAL 82 HG23 VAL 82 -10.499 11.311 9.304 614 H ARG 83 HN ARG 83 -11.694 15.362 11.291 615 HA ARG 83 HA ARG 83 -13.307 13.474 12.591 616 HB2 ARG 83 HB2 ARG 83 -12.389 16.244 13.265 617 HB3 ARG 83 HB1 ARG 83 -13.544 15.422 14.308 618 HG2 ARG 83 HG2 ARG 83 -11.992 13.530 14.555 619 HG3 ARG 83 HG1 ARG 83 -10.827 14.335 13.509 620 HD2 ARG 83 HD2 ARG 83 -10.442 16.061 15.077 621 HD3 ARG 83 HD1 ARG 83 -11.897 15.671 15.990 622 HE ARG 83 HE ARG 83 -9.319 14.355 16.197 623 HH11 ARG 83 HH11 ARG 83 -12.743 14.187 16.685 624 HH12 ARG 83 HH12 ARG 83 -12.649 12.986 17.929 625 HH21 ARG 83 HH21 ARG 83 -9.190 12.773 17.834 626 HH22 ARG 83 HH22 ARG 83 -10.639 12.187 18.580 627 H SER 84 HN SER 84 -14.083 16.616 11.154 628 HA SER 84 HA SER 84 -16.894 16.366 11.881 629 HB2 SER 84 HB2 SER 84 -17.141 18.543 10.814 630 HB3 SER 84 HB1 SER 84 -15.755 18.572 11.903 631 HG SER 84 HG SER 84 -14.765 19.250 10.163 632 H MET 85 HN MET 85 -14.817 15.893 9.107 633 HA MET 85 HA MET 85 -16.747 15.833 7.071 634 HB2 MET 85 HB2 MET 85 -14.058 14.535 7.391 635 HB3 MET 85 HB1 MET 85 -15.058 14.198 5.979 636 HG2 MET 85 HG2 MET 85 -15.239 16.722 5.674 637 HG3 MET 85 HG1 MET 85 -13.969 16.873 6.878 638 HE1 MET 85 HE1 MET 85 -10.856 15.778 5.507 639 HE2 MET 85 HE2 MET 85 -11.785 14.419 6.136 640 HE3 MET 85 HE3 MET 85 -11.929 16.003 6.895 641 H LYS 86 HN LYS 86 -15.778 13.418 9.424 642 HA LYS 86 HA LYS 86 -16.709 11.068 8.437 643 HB2 LYS 86 HB2 LYS 86 -15.828 11.596 10.793 644 HB3 LYS 86 HB1 LYS 86 -17.500 11.981 11.201 645 HG2 LYS 86 HG2 LYS 86 -18.187 9.723 10.424 646 HG3 LYS 86 HG1 LYS 86 -16.496 9.339 10.107 647 HD2 LYS 86 HD2 LYS 86 -16.623 10.380 12.747 648 HD3 LYS 86 HD1 LYS 86 -17.922 9.195 12.599 649 HE2 LYS 86 HE2 LYS 86 -14.998 8.737 11.935 650 HE3 LYS 86 HE1 LYS 86 -15.872 8.071 13.315 651 HZ1 LYS 86 HZ1 LYS 86 -17.324 7.476 11.008 652 HZ2 LYS 86 HZ2 LYS 86 -16.517 6.399 12.045 653 HZ3 LYS 86 HZ3 LYS 86 -15.708 7.059 10.705 654 H ASP 87 HN ASP 87 -18.707 13.664 9.839 655 HA ASP 87 HA ASP 87 -20.959 14.108 9.672 656 HB2 ASP 87 HB2 ASP 87 -20.823 12.316 7.236 657 HB3 ASP 87 HB1 ASP 87 -22.057 13.525 7.590 658 H ASP 88 HN ASP 88 -19.751 11.165 10.443 659 HA ASP 88 HA ASP 88 -22.264 9.694 10.516 660 HB2 ASP 88 HB2 ASP 88 -19.514 8.978 11.566 661 HB3 ASP 88 HB1 ASP 88 -20.900 7.890 11.488 662 H SER 89 HN SER 89 -20.026 11.301 12.731 663 HA SER 89 HA SER 89 -22.037 10.979 14.878 664 HB2 SER 89 HB2 SER 89 -19.021 11.086 15.077 665 HB3 SER 89 HB1 SER 89 -20.102 11.193 16.464 666 HG SER 89 HG SER 89 -19.645 9.048 14.694 667 H LYS 90 HN LYS 90 -19.972 13.105 13.081 668 HA LYS 90 HA LYS 90 -21.357 15.413 14.153 669 HB2 LYS 90 HB2 LYS 90 -19.288 16.599 14.795 670 HB3 LYS 90 HB1 LYS 90 -19.565 15.172 15.794 671 HG2 LYS 90 HG2 LYS 90 -18.017 13.878 14.398 672 HG3 LYS 90 HG1 LYS 90 -17.748 15.288 13.375 673 HD2 LYS 90 HD2 LYS 90 -17.213 15.290 16.352 674 HD3 LYS 90 HD1 LYS 90 -15.980 14.899 15.155 675 HE2 LYS 90 HE2 LYS 90 -16.376 17.102 14.066 676 HE3 LYS 90 HE1 LYS 90 -17.537 17.495 15.333 677 HZ1 LYS 90 HZ1 LYS 90 -15.893 17.590 16.931 678 HZ2 LYS 90 HZ2 LYS 90 -15.118 18.274 15.583 679 HZ3 LYS 90 HZ3 LYS 90 -14.796 16.666 16.027 680 H GLY 136 HN GLY 136 -20.842 17.388 12.966 681 HA2 GLY 136 HA2 GLY 136 -19.945 18.561 11.117 682 HA3 GLY 136 HA1 GLY 136 -19.398 17.030 10.440 683 H LYS 137 HN LYS 137 -22.232 16.027 11.225 684 HA LYS 137 HA LYS 137 -23.388 16.286 8.642 685 HB2 LYS 137 HB2 LYS 137 -23.808 14.343 10.086 686 HB3 LYS 137 HB1 LYS 137 -24.664 15.376 11.231 687 HG2 LYS 137 HG2 LYS 137 -26.250 16.005 9.398 688 HG3 LYS 137 HG1 LYS 137 -25.441 14.840 8.350 689 HD2 LYS 137 HD2 LYS 137 -26.653 14.103 11.024 690 HD3 LYS 137 HD1 LYS 137 -27.523 13.960 9.496 691 HE2 LYS 137 HE2 LYS 137 -25.647 12.513 8.647 692 HE3 LYS 137 HE1 LYS 137 -24.954 12.551 10.268 693 HZ1 LYS 137 HZ1 LYS 137 -26.346 10.966 10.891 694 HZ2 LYS 137 HZ2 LYS 137 -26.954 10.874 9.307 695 HZ3 LYS 137 HZ3 LYS 137 -27.686 11.906 10.441 696 H PHE 138 HN PHE 138 -24.018 17.855 11.755 697 HA PHE 138 HA PHE 138 -26.367 19.208 11.133 698 HB2 PHE 138 HB2 PHE 138 -24.047 19.976 12.911 699 HB3 PHE 138 HB1 PHE 138 -25.537 20.917 12.822 700 HD1 PHE 138 HD1 PHE 138 -23.938 17.961 14.174 701 HD2 PHE 138 HD2 PHE 138 -27.740 19.786 13.360 702 HE1 PHE 138 HE1 PHE 138 -25.030 16.389 15.751 703 HE2 PHE 138 HE2 PHE 138 -28.831 18.215 14.937 704 HZ PHE 138 HZ PHE 138 -27.478 16.517 16.134 705 H LYS 139 HN LYS 139 -26.876 20.973 9.970 706 HA LYS 139 HA LYS 139 -24.889 22.883 9.132 707 HB2 LYS 139 HB2 LYS 139 -25.196 22.540 6.724 708 HB3 LYS 139 HB1 LYS 139 -24.508 21.104 7.486 709 HG2 LYS 139 HG2 LYS 139 -26.371 19.860 7.131 710 HG3 LYS 139 HG1 LYS 139 -27.451 21.217 7.443 711 HD2 LYS 139 HD2 LYS 139 -25.814 20.888 4.910 712 HD3 LYS 139 HD1 LYS 139 -27.516 20.447 5.054 713 HE2 LYS 139 HE2 LYS 139 -27.960 22.838 5.806 714 HE3 LYS 139 HE1 LYS 139 -26.298 23.204 5.339 715 HZ1 LYS 139 HZ1 LYS 139 -26.748 22.942 3.143 716 HZ2 LYS 139 HZ2 LYS 139 -28.281 23.464 3.658 717 HZ3 LYS 139 HZ3 LYS 139 -27.986 21.811 3.398 718 H ARG 140 HN ARG 140 -25.785 24.829 8.534 719 HA ARG 140 HA ARG 140 -28.245 25.375 7.443 720 HB2 ARG 140 HB2 ARG 140 -28.753 24.208 9.843 721 HB3 ARG 140 HB1 ARG 140 -28.778 25.904 10.286 722 HG2 ARG 140 HG2 ARG 140 -30.176 25.636 7.833 723 HG3 ARG 140 HG1 ARG 140 -30.755 24.366 8.908 724 HD2 ARG 140 HD2 ARG 140 -30.451 27.175 9.970 725 HD3 ARG 140 HD1 ARG 140 -31.877 26.737 9.032 726 HE ARG 140 HE ARG 140 -31.363 26.002 11.731 727 HH11 ARG 140 HH11 ARG 140 -32.605 24.806 8.730 728 HH12 ARG 140 HH12 ARG 140 -33.696 23.682 9.471 729 HH21 ARG 140 HH21 ARG 140 -32.795 24.536 12.708 730 HH22 ARG 140 HH22 ARG 140 -33.803 23.530 11.724 731 HA PRO 141 HA PRO 141 -26.574 29.394 8.109 732 HB2 PRO 141 HB2 PRO 141 -28.619 30.887 7.121 733 HB3 PRO 141 HB1 PRO 141 -27.562 29.899 6.096 734 HG2 PRO 141 HG2 PRO 141 -30.344 29.458 6.898 735 HG3 PRO 141 HG1 PRO 141 -29.450 28.829 5.506 736 HD2 PRO 141 HD2 PRO 141 -30.042 27.455 7.963 737 HD3 PRO 141 HD1 PRO 141 -29.090 26.834 6.607 738 H THR 142 HN THR 142 -29.231 28.290 9.841 739 HA THR 142 HA THR 142 -30.341 30.416 11.114 740 HB THR 142 HB THR 142 -29.636 27.669 12.062 741 HG1 THR 142 HG1 THR 142 -31.546 28.581 10.729 742 HG21 THR 142 HG21 THR 142 -31.165 28.465 14.088 743 HG22 THR 142 HG22 THR 142 -30.422 30.021 13.719 744 HG23 THR 142 HG23 THR 142 -29.411 28.639 14.135 745 H LEU 143 HN LEU 143 -27.776 28.590 12.760 746 HA LEU 143 HA LEU 143 -26.280 31.029 13.315 747 HB2 LEU 143 HB2 LEU 143 -27.565 29.373 15.493 748 HB3 LEU 143 HB1 LEU 143 -26.275 30.544 15.775 749 HG LEU 143 HG LEU 143 -28.885 31.231 14.400 750 HD11 LEU 143 HD11 LEU 143 -28.021 31.465 17.289 751 HD12 LEU 143 HD12 LEU 143 -29.450 30.650 16.654 752 HD13 LEU 143 HD13 LEU 143 -29.347 32.409 16.610 753 HD21 LEU 143 HD21 LEU 143 -26.368 32.640 15.024 754 HD22 LEU 143 HD22 LEU 143 -27.824 33.516 15.499 755 HD23 LEU 143 HD23 LEU 143 -27.600 33.021 13.821 756 H ARG 144 HN ARG 144 -24.148 30.630 14.053 757 HA ARG 144 HA ARG 144 -23.296 27.805 14.021 758 HB2 ARG 144 HB2 ARG 144 -22.696 29.793 12.046 759 HB3 ARG 144 HB1 ARG 144 -21.212 29.352 12.891 760 HG2 ARG 144 HG2 ARG 144 -23.174 27.377 11.684 761 HG3 ARG 144 HG1 ARG 144 -21.651 27.870 10.944 762 HD2 ARG 144 HD2 ARG 144 -20.429 26.542 12.306 763 HD3 ARG 144 HD1 ARG 144 -21.351 27.012 13.731 764 HE ARG 144 HE ARG 144 -22.854 25.230 13.307 765 HH11 ARG 144 HH11 ARG 144 -20.357 25.535 10.926 766 HH12 ARG 144 HH12 ARG 144 -20.621 23.962 10.252 767 HH21 ARG 144 HH21 ARG 144 -23.205 23.171 12.423 768 HH22 ARG 144 HH22 ARG 144 -22.234 22.625 11.098 769 H ARG 145 HN ARG 145 -23.341 28.180 16.367 770 HA ARG 145 HA ARG 145 -20.959 29.663 17.295 771 HB2 ARG 145 HB2 ARG 145 -23.598 29.127 18.656 772 HB3 ARG 145 HB1 ARG 145 -22.169 29.678 19.532 773 HG2 ARG 145 HG2 ARG 145 -22.032 31.662 18.073 774 HG3 ARG 145 HG1 ARG 145 -23.456 31.111 17.189 775 HD2 ARG 145 HD2 ARG 145 -24.825 31.285 19.191 776 HD3 ARG 145 HD1 ARG 145 -23.414 31.693 20.163 777 HE ARG 145 HE ARG 145 -23.638 33.556 18.052 778 HH11 ARG 145 HH11 ARG 145 -25.220 32.542 20.958 779 HH12 ARG 145 HH12 ARG 145 -25.879 34.105 21.308 780 HH21 ARG 145 HH21 ARG 145 -24.492 35.609 18.509 781 HH22 ARG 145 HH22 ARG 145 -25.467 35.843 19.923 782 H VAL 146 HN VAL 146 -21.432 26.791 16.354 783 HA VAL 146 HA VAL 146 -20.340 25.456 18.754 784 HB VAL 146 HB VAL 146 -21.187 23.337 17.500 785 HG11 VAL 146 HG11 VAL 146 -22.087 24.172 19.642 786 HG12 VAL 146 HG12 VAL 146 -23.386 23.587 18.602 787 HG13 VAL 146 HG13 VAL 146 -23.103 25.320 18.770 788 HG21 VAL 146 HG21 VAL 146 -21.842 24.227 15.411 789 HG22 VAL 146 HG22 VAL 146 -22.633 25.615 16.157 790 HG23 VAL 146 HG23 VAL 146 -23.364 24.015 16.274 791 H ARG 147 HN ARG 147 -19.474 23.123 17.548 792 HA ARG 147 HA ARG 147 -16.948 23.227 16.966 793 HB2 ARG 147 HB2 ARG 147 -17.302 21.635 14.967 794 HB3 ARG 147 HB1 ARG 147 -17.993 21.148 16.517 795 HG2 ARG 147 HG2 ARG 147 -20.186 21.843 15.861 796 HG3 ARG 147 HG1 ARG 147 -19.565 22.685 14.439 797 HD2 ARG 147 HD2 ARG 147 -20.538 20.543 13.782 798 HD3 ARG 147 HD1 ARG 147 -18.797 20.534 13.512 799 HE ARG 147 HE ARG 147 -18.582 18.923 15.185 800 HH11 ARG 147 HH11 ARG 147 -21.749 20.317 15.140 801 HH12 ARG 147 HH12 ARG 147 -22.424 19.162 16.241 802 HH21 ARG 147 HH21 ARG 147 -19.460 17.406 16.630 803 HH22 ARG 147 HH22 ARG 147 -21.127 17.514 17.084 804 H ILE 148 HN ILE 148 -15.541 24.349 15.775 805 HA ILE 148 HA ILE 148 -16.011 26.574 14.323 806 HB ILE 148 HB ILE 148 -13.757 25.669 14.888 807 HG12 ILE 148 HG12 ILE 148 -14.030 26.319 11.943 808 HG13 ILE 148 HG11 ILE 148 -14.179 27.533 13.217 809 HG21 ILE 148 HG21 ILE 148 -13.234 24.246 12.484 810 HG22 ILE 148 HG22 ILE 148 -14.679 23.540 13.205 811 HG23 ILE 148 HG23 ILE 148 -13.184 23.633 14.136 812 HD11 ILE 148 HD11 ILE 148 -11.917 27.715 12.791 813 HD12 ILE 148 HD12 ILE 148 -11.763 26.022 12.314 814 HD13 ILE 148 HD13 ILE 148 -11.882 26.452 14.020 815 H SER 149 HN SER 149 -16.628 27.154 12.286 816 HA SER 149 HA SER 149 -18.106 25.225 10.741 817 HB2 SER 149 HB2 SER 149 -17.377 28.092 10.089 818 HB3 SER 149 HB1 SER 149 -18.589 27.121 9.258 819 HG SER 149 HG SER 149 -18.663 28.370 11.729 820 H ALA 150 HN ALA 150 -16.413 23.722 10.204 821 HA ALA 150 HA ALA 150 -13.987 24.162 9.039 822 HB1 ALA 150 HB1 ALA 150 -15.416 22.079 7.592 823 HB2 ALA 150 HB2 ALA 150 -15.683 21.971 9.333 824 HB3 ALA 150 HB3 ALA 150 -14.042 21.938 8.689 825 H ASP 151 HN ASP 151 -17.149 24.366 7.475 826 HA ASP 151 HA ASP 151 -16.326 24.574 4.811 827 HB2 ASP 151 HB2 ASP 151 -18.728 24.968 6.301 828 HB3 ASP 151 HB1 ASP 151 -18.511 26.362 5.243 829 H ALA 152 HN ALA 152 -17.711 27.456 6.250 830 HA ALA 152 HA ALA 152 -16.187 29.241 4.733 831 HB1 ALA 152 HB1 ALA 152 -18.357 29.493 6.292 832 HB2 ALA 152 HB2 ALA 152 -17.377 30.867 5.780 833 HB3 ALA 152 HB3 ALA 152 -17.141 30.163 7.381 834 H MET 153 HN MET 153 -15.482 27.628 7.726 835 HA MET 153 HA MET 153 -13.571 29.282 8.868 836 HB2 MET 153 HB2 MET 153 -14.195 27.328 10.063 837 HB3 MET 153 HB1 MET 153 -13.786 26.274 8.712 838 HG2 MET 153 HG2 MET 153 -11.394 27.553 9.168 839 HG3 MET 153 HG1 MET 153 -12.052 27.416 10.798 840 HE1 MET 153 HE1 MET 153 -9.814 25.078 11.365 841 HE2 MET 153 HE2 MET 153 -9.688 26.525 10.364 842 HE3 MET 153 HE3 MET 153 -9.274 24.954 9.682 843 H MET 154 HN MET 154 -13.096 26.758 6.395 844 HA MET 154 HA MET 154 -10.311 27.312 6.078 845 HB2 MET 154 HB2 MET 154 -12.309 25.806 4.404 846 HB3 MET 154 HB1 MET 154 -10.616 25.979 3.942 847 HG2 MET 154 HG2 MET 154 -10.451 25.208 6.595 848 HG3 MET 154 HG1 MET 154 -11.817 24.267 5.996 849 HE1 MET 154 HE1 MET 154 -7.574 24.576 4.600 850 HE2 MET 154 HE2 MET 154 -8.743 25.851 4.933 851 HE3 MET 154 HE3 MET 154 -8.659 25.140 3.322 852 H GLN 155 HN GLN 155 -13.251 28.522 4.625 853 HA GLN 155 HA GLN 155 -12.172 29.716 2.320 854 HB2 GLN 155 HB2 GLN 155 -14.486 30.635 4.045 855 HB3 GLN 155 HB1 GLN 155 -14.151 31.187 2.404 856 HG2 GLN 155 HG2 GLN 155 -14.341 28.860 1.599 857 HG3 GLN 155 HG1 GLN 155 -14.740 28.342 3.236 858 HE21 GLN 155 HE21 GLN 155 -16.941 27.798 3.058 859 HE22 GLN 155 HE22 GLN 155 -18.135 28.862 2.489 860 H ALA 156 HN ALA 156 -12.507 30.935 5.641 861 HA ALA 156 HA ALA 156 -11.561 33.560 5.121 862 HB1 ALA 156 HB1 ALA 156 -10.876 32.964 7.757 863 HB2 ALA 156 HB2 ALA 156 -12.285 31.953 7.429 864 HB3 ALA 156 HB3 ALA 156 -12.382 33.701 7.205 865 H LEU 157 HN LEU 157 -9.948 30.598 6.215 866 HA LEU 157 HA LEU 157 -7.385 31.732 6.622 867 HB2 LEU 157 HB2 LEU 157 -7.522 28.939 5.643 868 HB3 LEU 157 HB1 LEU 157 -6.691 29.601 7.049 869 HG LEU 157 HG LEU 157 -9.655 29.079 6.780 870 HD11 LEU 157 HD11 LEU 157 -9.071 27.669 8.864 871 HD12 LEU 157 HD12 LEU 157 -7.406 27.788 8.285 872 HD13 LEU 157 HD13 LEU 157 -8.644 27.035 7.275 873 HD21 LEU 157 HD21 LEU 157 -8.363 29.952 9.339 874 HD22 LEU 157 HD22 LEU 157 -10.025 30.168 8.783 875 HD23 LEU 157 HD23 LEU 157 -8.740 31.176 8.122 876 H LEU 158 HN LEU 158 -8.835 30.147 3.795 877 HA LEU 158 HA LEU 158 -6.470 30.576 2.183 878 HB2 LEU 158 HB2 LEU 158 -9.230 29.639 1.374 879 HB3 LEU 158 HB1 LEU 158 -7.769 29.545 0.396 880 HG LEU 158 HG LEU 158 -8.151 28.201 3.073 881 HD11 LEU 158 HD11 LEU 158 -9.333 26.717 1.820 882 HD12 LEU 158 HD12 LEU 158 -7.759 26.228 1.198 883 HD13 LEU 158 HD13 LEU 158 -8.739 27.390 0.303 884 HD21 LEU 158 HD21 LEU 158 -5.910 28.011 3.060 885 HD22 LEU 158 HD22 LEU 158 -5.817 28.820 1.497 886 HD23 LEU 158 HD23 LEU 158 -6.034 27.071 1.574 887 H GLY 159 HN GLY 159 -9.012 32.501 3.200 888 HA2 GLY 159 HA2 GLY 159 -9.663 34.629 2.602 889 HA3 GLY 159 HA1 GLY 159 -8.309 34.656 1.476 890 H ALA 160 HN ALA 160 -10.751 32.160 1.359 891 HA ALA 160 HA ALA 160 -12.459 31.725 -0.133 892 HB1 ALA 160 HB1 ALA 160 -12.259 34.617 -0.174 893 HB2 ALA 160 HB2 ALA 160 -13.678 33.594 -0.389 894 HB3 ALA 160 HB3 ALA 160 -12.657 33.986 -1.772 895 H ARG 161 HN ARG 161 -9.770 31.046 -0.648 896 HA ARG 161 HA ARG 161 -9.150 31.693 -3.402 897 HB2 ARG 161 HB2 ARG 161 -7.473 31.186 -1.509 898 HB3 ARG 161 HB1 ARG 161 -7.873 29.491 -1.793 899 HG2 ARG 161 HG2 ARG 161 -7.450 30.189 -4.329 900 HG3 ARG 161 HG1 ARG 161 -6.448 31.427 -3.570 901 HD2 ARG 161 HD2 ARG 161 -5.219 29.699 -2.336 902 HD3 ARG 161 HD1 ARG 161 -6.240 28.451 -3.041 903 HE ARG 161 HE ARG 161 -5.165 28.806 -5.137 904 HH11 ARG 161 HH11 ARG 161 -3.977 30.812 -2.573 905 HH12 ARG 161 HH12 ARG 161 -2.523 31.245 -3.407 906 HH21 ARG 161 HH21 ARG 161 -3.262 29.378 -6.232 907 HH22 ARG 161 HH22 ARG 161 -2.119 30.437 -5.475 908 H ALA 162 HN ALA 162 -9.600 30.507 -5.179 909 HA ALA 162 HA ALA 162 -10.864 27.861 -4.783 910 HB1 ALA 162 HB1 ALA 162 -12.602 28.386 -6.164 911 HB2 ALA 162 HB2 ALA 162 -11.612 29.425 -7.188 912 HB3 ALA 162 HB3 ALA 162 -12.228 30.031 -5.650 913 H LYS 163 HN LYS 163 -9.995 26.229 -5.918 914 HA LYS 163 HA LYS 163 -8.357 26.841 -8.285 915 HB2 LYS 163 HB2 LYS 163 -6.974 26.601 -6.112 916 HB3 LYS 163 HB1 LYS 163 -7.379 24.888 -6.217 917 HG2 LYS 163 HG2 LYS 163 -6.136 24.566 -8.138 918 HG3 LYS 163 HG1 LYS 163 -6.340 26.235 -8.674 919 HD2 LYS 163 HD2 LYS 163 -4.656 27.035 -7.265 920 HD3 LYS 163 HD1 LYS 163 -4.770 25.651 -6.177 921 HE2 LYS 163 HE2 LYS 163 -3.998 24.273 -8.259 922 HE3 LYS 163 HE1 LYS 163 -3.447 25.833 -8.873 923 HZ1 LYS 163 HZ1 LYS 163 -2.716 24.743 -6.211 924 HZ2 LYS 163 HZ2 LYS 163 -2.081 26.130 -6.959 925 HZ3 LYS 163 HZ3 LYS 163 -1.747 24.590 -7.594 926 H GLY 164 HN GLY 164 -8.799 25.508 -9.923 927 HA2 GLY 164 HA2 GLY 164 -9.108 23.327 -10.864 928 HA3 GLY 164 HA1 GLY 164 -9.846 22.815 -9.350 929 H HIS 165 HN HIS 165 -10.327 24.876 -12.193 930 HA HIS 165 HA HIS 165 -12.233 25.574 -13.270 931 HB2 HIS 165 HB2 HIS 165 -13.330 23.068 -11.975 932 HB3 HIS 165 HB1 HIS 165 -14.131 23.977 -13.257 933 HD2 HIS 165 HD2 HIS 165 -11.287 21.363 -12.859 934 HE1 HIS 165 HE1 HIS 165 -11.331 22.553 -16.909 935 HE2 HIS 165 HE2 HIS 165 -10.365 20.886 -15.256 936 H HIS 166 HN HIS 166 -11.723 26.815 -10.801 937 HA HIS 166 HA HIS 166 -12.815 28.371 -9.487 938 HB2 HIS 166 HB2 HIS 166 -14.799 27.632 -11.401 939 HB3 HIS 166 HB1 HIS 166 -15.565 27.708 -9.816 940 HD2 HIS 166 HD2 HIS 166 -15.324 30.143 -12.457 941 HE1 HIS 166 HE1 HIS 166 -14.168 32.431 -9.101 942 HE2 HIS 166 HE2 HIS 166 -14.950 32.550 -11.515 943 H HIS 167 HN HIS 167 -15.340 27.905 -8.137 944 HA HIS 167 HA HIS 167 -14.396 26.372 -5.931 945 HB2 HIS 167 HB2 HIS 167 -16.753 26.696 -5.083 946 HB3 HIS 167 HB1 HIS 167 -15.899 28.185 -5.492 947 HD2 HIS 167 HD2 HIS 167 -17.160 29.722 -7.432 948 HE1 HIS 167 HE1 HIS 167 -20.004 26.856 -8.665 949 HE2 HIS 167 HE2 HIS 167 -19.249 29.266 -8.931 950 H HIS 168 HN HIS 168 -15.859 24.628 -4.952 951 HA HIS 168 HA HIS 168 -16.651 22.733 -7.082 952 HB2 HIS 168 HB2 HIS 168 -15.441 22.087 -4.380 953 HB3 HIS 168 HB1 HIS 168 -15.904 20.920 -5.618 954 HD2 HIS 168 HD2 HIS 168 -14.099 20.720 -7.801 955 HE1 HIS 168 HE1 HIS 168 -11.287 23.500 -6.320 956 HE2 HIS 168 HE2 HIS 168 -11.720 21.753 -8.112 957 H HIS 169 HN HIS 169 -18.552 24.452 -6.204 958 HA HIS 169 HA HIS 169 -19.997 23.739 -3.908 959 HB2 HIS 169 HB2 HIS 169 -20.428 25.803 -5.173 960 HB3 HIS 169 HB1 HIS 169 -21.037 24.850 -6.526 961 HD2 HIS 169 HD2 HIS 169 -23.744 24.280 -6.337 962 HE1 HIS 169 HE1 HIS 169 -24.242 25.177 -2.242 963 HE2 HIS 169 HE2 HIS 169 -25.449 24.503 -4.372 964 H HIS 170 HN HIS 170 -20.295 22.595 -7.264 965 HA HIS 170 HA HIS 170 -22.420 21.061 -7.451 966 HB2 HIS 170 HB2 HIS 170 -19.794 20.842 -8.475 967 HB3 HIS 170 HB1 HIS 170 -20.258 19.229 -7.932 968 HD2 HIS 170 HD2 HIS 170 -21.245 18.025 -10.221 969 HE1 HIS 170 HE1 HIS 170 -23.674 21.207 -11.558 970 HE2 HIS 170 HE2 HIS 170 -22.984 18.805 -12.005 971 H17 V8Y 201 H17 A7 201 -15.108 24.477 19.436 972 H21 V8Y 201 H21 A7 201 -14.942 22.750 19.223 973 H3 V8Y 201 H3 A7 201 -14.869 20.277 19.052 974 H4 V8Y 201 H4 A7 201 -12.956 19.161 17.936 975 H6 V8Y 201 H6 A7 201 -8.902 20.693 15.780 976 H7 V8Y 201 H7 A7 201 -8.990 23.170 15.960 977 H8 V8Y 201 H8 A7 201 -10.912 24.280 17.081 978 H11 V8Y 201 H11 A7 201 -15.686 26.553 18.704 979 H8L V8Y 201 H8L A7 201 -14.140 27.213 19.251 980 H12 V8Y 201 H12 A7 201 -15.831 27.874 20.858 981 H8M V8Y 201 H8M A7 201 -14.810 26.624 21.613 982 H13 V8Y 201 H13 A7 201 -16.674 25.017 20.550 983 H8O V8Y 201 H8O A7 201 -17.651 26.519 20.715 984 H14 V8Y 201 H14 A7 201 -16.065 25.609 23.077 985 H8N V8Y 201 H8N A7 201 -17.551 24.701 22.619 986 H15 V8Y 201 H15 A7 201 -18.518 27.208 22.534 987 H8P V8Y 201 H8P A7 201 -17.242 27.420 23.765 988 H16 V8Y 201 H16 A7 201 -18.293 25.194 24.761 989 H8Q V8Y 201 H8Q A7 201 -19.723 25.721 23.843 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -2.380 8.341 18.609 2 H2 MET 1 HT2 MET 1 -2.913 6.957 17.778 3 H3 MET 1 HT3 MET 1 -3.798 7.552 19.101 4 HA MET 1 HA MET 1 -4.566 9.403 17.940 5 HB2 MET 1 HB2 MET 1 -2.073 9.002 16.505 6 HB3 MET 1 HB1 MET 1 -3.411 9.265 15.387 7 HG2 MET 1 HG2 MET 1 -4.015 11.328 16.487 8 HG3 MET 1 HG1 MET 1 -2.861 11.030 17.786 9 HE1 MET 1 HE1 MET 1 -3.554 11.213 14.259 10 HE2 MET 1 HE2 MET 1 -2.047 11.509 13.398 11 HE3 MET 1 HE3 MET 1 -2.966 12.867 14.043 12 H ASP 2 HN ASP 2 -6.357 9.277 16.598 13 HA ASP 2 HA ASP 2 -7.467 6.758 16.101 14 HB2 ASP 2 HB2 ASP 2 -8.226 9.510 15.702 15 HB3 ASP 2 HB1 ASP 2 -8.654 8.553 14.290 16 H ASP 3 HN ASP 3 -6.503 5.300 14.800 17 HA ASP 3 HA ASP 3 -4.906 5.895 12.561 18 HB2 ASP 3 HB2 ASP 3 -6.420 3.435 13.317 19 HB3 ASP 3 HB1 ASP 3 -5.330 3.497 11.952 20 H ILE 4 HN ILE 4 -8.359 5.214 12.888 21 HA ILE 4 HA ILE 4 -9.007 4.962 10.189 22 HB ILE 4 HB ILE 4 -10.585 4.546 12.053 23 HG12 ILE 4 HG12 ILE 4 -11.187 5.324 9.573 24 HG13 ILE 4 HG11 ILE 4 -12.449 5.062 10.783 25 HG21 ILE 4 HG21 ILE 4 -10.645 7.559 12.258 26 HG22 ILE 4 HG22 ILE 4 -9.917 6.475 13.433 27 HG23 ILE 4 HG23 ILE 4 -11.660 6.450 13.172 28 HD11 ILE 4 HD11 ILE 4 -11.160 7.731 10.147 29 HD12 ILE 4 HD12 ILE 4 -12.449 7.463 11.318 30 HD13 ILE 4 HD13 ILE 4 -12.754 7.216 9.597 31 H TYR 5 HN TYR 5 -8.769 7.865 12.215 32 HA TYR 5 HA TYR 5 -9.365 9.649 10.063 33 HB2 TYR 5 HB2 TYR 5 -8.072 10.141 12.736 34 HB3 TYR 5 HB1 TYR 5 -8.565 11.407 11.629 35 HD1 TYR 5 HD1 TYR 5 -9.697 11.326 14.349 36 HD2 TYR 5 HD2 TYR 5 -10.984 9.312 10.787 37 HE1 TYR 5 HE1 TYR 5 -11.985 11.193 15.253 38 HE2 TYR 5 HE2 TYR 5 -13.289 9.186 11.702 39 HH TYR 5 HH TYR 5 -14.573 10.843 13.683 40 H LYS 6 HN LYS 6 -6.515 8.162 11.369 41 HA LYS 6 HA LYS 6 -4.545 9.805 10.265 42 HB2 LYS 6 HB2 LYS 6 -4.680 6.884 11.028 43 HB3 LYS 6 HB1 LYS 6 -3.249 7.512 10.186 44 HG2 LYS 6 HG2 LYS 6 -4.298 9.085 12.502 45 HG3 LYS 6 HG1 LYS 6 -3.436 7.585 12.851 46 HD2 LYS 6 HD2 LYS 6 -1.761 9.250 12.822 47 HD3 LYS 6 HD1 LYS 6 -1.612 8.450 11.267 48 HE2 LYS 6 HE2 LYS 6 -2.808 10.249 10.159 49 HE3 LYS 6 HE1 LYS 6 -3.201 11.002 11.705 50 HZ1 LYS 6 HZ1 LYS 6 -1.317 12.127 11.523 51 HZ2 LYS 6 HZ2 LYS 6 -0.854 11.258 10.139 52 HZ3 LYS 6 HZ3 LYS 6 -0.459 10.673 11.683 53 H ALA 7 HN ALA 7 -6.233 7.000 8.954 54 HA ALA 7 HA ALA 7 -4.978 7.009 6.422 55 HB1 ALA 7 HB1 ALA 7 -6.934 5.627 5.725 56 HB2 ALA 7 HB2 ALA 7 -7.685 5.945 7.302 57 HB3 ALA 7 HB3 ALA 7 -6.168 5.044 7.204 58 H ALA 8 HN ALA 8 -7.736 8.643 7.797 59 HA ALA 8 HA ALA 8 -8.920 9.668 5.479 60 HB1 ALA 8 HB1 ALA 8 -9.220 11.714 7.305 61 HB2 ALA 8 HB2 ALA 8 -8.911 10.332 8.369 62 HB3 ALA 8 HB3 ALA 8 -10.256 10.290 7.217 63 H VAL 9 HN VAL 9 -6.218 10.856 7.429 64 HA VAL 9 HA VAL 9 -5.850 13.288 6.047 65 HB VAL 9 HB VAL 9 -3.882 11.548 7.573 66 HG11 VAL 9 HG11 VAL 9 -2.545 13.705 7.688 67 HG12 VAL 9 HG12 VAL 9 -3.592 14.333 6.417 68 HG13 VAL 9 HG13 VAL 9 -2.576 12.924 6.107 69 HG21 VAL 9 HG21 VAL 9 -5.701 13.832 8.276 70 HG22 VAL 9 HG22 VAL 9 -4.211 13.600 9.179 71 HG23 VAL 9 HG23 VAL 9 -5.429 12.324 9.142 72 H GLU 10 HN GLU 10 -4.423 10.070 5.646 73 HA GLU 10 HA GLU 10 -2.875 10.823 3.353 74 HB2 GLU 10 HB2 GLU 10 -3.586 8.150 4.564 75 HB3 GLU 10 HB1 GLU 10 -2.616 8.313 3.087 76 HG2 GLU 10 HG2 GLU 10 -1.000 9.714 4.278 77 HG3 GLU 10 HG1 GLU 10 -1.967 9.596 5.745 78 H GLN 11 HN GLN 11 -6.120 9.905 3.874 79 HA GLN 11 HA GLN 11 -6.679 8.817 1.302 80 HB2 GLN 11 HB2 GLN 11 -8.332 9.829 3.570 81 HB3 GLN 11 HB1 GLN 11 -9.093 9.502 2.032 82 HG2 GLN 11 HG2 GLN 11 -7.550 7.260 2.367 83 HG3 GLN 11 HG1 GLN 11 -8.017 7.628 4.028 84 HE21 GLN 11 HE21 GLN 11 -9.394 7.059 0.763 85 HE22 GLN 11 HE22 GLN 11 -10.912 6.547 1.325 86 H LEU 12 HN LEU 12 -6.780 12.052 2.694 87 HA LEU 12 HA LEU 12 -8.208 13.362 0.684 88 HB2 LEU 12 HB2 LEU 12 -5.871 14.432 2.293 89 HB3 LEU 12 HB1 LEU 12 -7.066 15.403 1.435 90 HG LEU 12 HG LEU 12 -7.534 13.585 3.812 91 HD11 LEU 12 HD11 LEU 12 -8.489 16.392 3.623 92 HD12 LEU 12 HD12 LEU 12 -6.754 16.148 3.819 93 HD13 LEU 12 HD13 LEU 12 -7.880 15.503 5.014 94 HD21 LEU 12 HD21 LEU 12 -9.518 13.160 2.744 95 HD22 LEU 12 HD22 LEU 12 -9.333 14.540 1.651 96 HD23 LEU 12 HD23 LEU 12 -9.938 14.783 3.296 97 H THR 13 HN THR 13 -7.786 13.802 -1.388 98 HA THR 13 HA THR 13 -5.534 12.786 -2.735 99 HB THR 13 HB THR 13 -7.657 13.235 -3.883 100 HG1 THR 13 HG1 THR 13 -6.622 14.713 -5.564 101 HG21 THR 13 HG21 THR 13 -7.367 16.074 -4.255 102 HG22 THR 13 HG22 THR 13 -7.449 15.703 -2.533 103 HG23 THR 13 HG23 THR 13 -8.743 15.180 -3.608 104 H GLU 14 HN GLU 14 -4.044 14.181 -4.079 105 HA GLU 14 HA GLU 14 -2.370 15.689 -2.444 106 HB2 GLU 14 HB2 GLU 14 -1.364 16.482 -4.595 107 HB3 GLU 14 HB1 GLU 14 -1.566 14.732 -4.507 108 HG2 GLU 14 HG2 GLU 14 -3.853 15.147 -5.657 109 HG3 GLU 14 HG1 GLU 14 -3.204 16.736 -6.058 110 H GLU 15 HN GLU 15 -4.983 16.745 -4.599 111 HA GLU 15 HA GLU 15 -4.474 19.540 -4.202 112 HB2 GLU 15 HB2 GLU 15 -5.644 18.535 -6.185 113 HB3 GLU 15 HB1 GLU 15 -7.031 18.242 -5.131 114 HG2 GLU 15 HG2 GLU 15 -7.242 20.602 -4.648 115 HG3 GLU 15 HG1 GLU 15 -5.754 20.956 -5.524 116 H GLN 16 HN GLN 16 -6.902 17.270 -2.908 117 HA GLN 16 HA GLN 16 -8.311 19.132 -1.320 118 HB2 GLN 16 HB2 GLN 16 -9.137 16.851 -1.898 119 HB3 GLN 16 HB1 GLN 16 -7.939 16.173 -0.794 120 HG2 GLN 16 HG2 GLN 16 -8.925 17.430 1.071 121 HG3 GLN 16 HG1 GLN 16 -10.118 18.123 -0.025 122 HE21 GLN 16 HE21 GLN 16 -11.355 16.805 1.927 123 HE22 GLN 16 HE22 GLN 16 -11.847 15.247 1.465 124 H LYS 17 HN LYS 17 -5.591 16.984 -0.569 125 HA LYS 17 HA LYS 17 -5.438 17.677 2.175 126 HB2 LYS 17 HB2 LYS 17 -4.317 15.712 0.840 127 HB3 LYS 17 HB1 LYS 17 -3.014 16.877 0.606 128 HG2 LYS 17 HG2 LYS 17 -2.993 17.245 3.100 129 HG3 LYS 17 HG1 LYS 17 -4.137 15.902 3.255 130 HD2 LYS 17 HD2 LYS 17 -1.369 15.746 2.004 131 HD3 LYS 17 HD1 LYS 17 -1.821 15.122 3.591 132 HE2 LYS 17 HE2 LYS 17 -3.474 13.618 2.509 133 HE3 LYS 17 HE1 LYS 17 -2.962 14.211 0.933 134 HZ1 LYS 17 HZ1 LYS 17 -1.886 12.101 2.228 135 HZ2 LYS 17 HZ2 LYS 17 -0.787 13.342 2.599 136 HZ3 LYS 17 HZ3 LYS 17 -1.133 12.965 0.979 137 H ASN 18 HN ASN 18 -4.068 19.040 -0.760 138 HA ASN 18 HA ASN 18 -2.176 20.768 0.403 139 HB2 ASN 18 HB2 ASN 18 -2.603 20.220 -2.113 140 HB3 ASN 18 HB1 ASN 18 -3.819 21.492 -2.031 141 HD21 ASN 18 HD21 ASN 18 -1.334 21.626 -3.613 142 HD22 ASN 18 HD22 ASN 18 -0.447 22.939 -3.001 143 H GLU 19 HN GLU 19 -5.626 21.218 -0.361 144 HA GLU 19 HA GLU 19 -5.796 23.927 0.403 145 HB2 GLU 19 HB2 GLU 19 -7.524 22.153 -0.730 146 HB3 GLU 19 HB1 GLU 19 -8.169 22.224 0.906 147 HG2 GLU 19 HG2 GLU 19 -8.306 24.667 0.767 148 HG3 GLU 19 HG1 GLU 19 -7.599 24.617 -0.851 149 H PHE 20 HN PHE 20 -6.390 20.917 2.179 150 HA PHE 20 HA PHE 20 -7.064 22.150 4.638 151 HB2 PHE 20 HB2 PHE 20 -6.050 19.383 3.942 152 HB3 PHE 20 HB1 PHE 20 -6.428 19.850 5.594 153 HD1 PHE 20 HD1 PHE 20 -7.748 18.015 3.119 154 HD2 PHE 20 HD2 PHE 20 -8.794 21.489 5.417 155 HE1 PHE 20 HE1 PHE 20 -10.150 17.584 2.674 156 HE2 PHE 20 HE2 PHE 20 -11.197 21.056 4.974 157 HZ PHE 20 HZ PHE 20 -11.875 19.105 3.601 158 H LYS 21 HN LYS 21 -4.038 21.040 3.235 159 HA LYS 21 HA LYS 21 -2.391 21.365 5.476 160 HB2 LYS 21 HB2 LYS 21 -1.675 20.223 3.407 161 HB3 LYS 21 HB1 LYS 21 -1.687 21.769 2.555 162 HG2 LYS 21 HG2 LYS 21 0.590 21.299 3.252 163 HG3 LYS 21 HG1 LYS 21 -0.025 22.629 4.236 164 HD2 LYS 21 HD2 LYS 21 -0.562 21.076 6.054 165 HD3 LYS 21 HD1 LYS 21 -0.016 19.717 5.056 166 HE2 LYS 21 HE2 LYS 21 1.676 22.010 6.102 167 HE3 LYS 21 HE1 LYS 21 1.792 20.310 6.563 168 HZ1 LYS 21 HZ1 LYS 21 2.336 19.809 4.222 169 HZ2 LYS 21 HZ2 LYS 21 3.490 20.800 4.977 170 HZ3 LYS 21 HZ3 LYS 21 2.368 21.471 3.893 171 H ALA 22 HN ALA 22 -3.461 23.633 2.997 172 HA ALA 22 HA ALA 22 -1.866 25.829 3.718 173 HB1 ALA 22 HB1 ALA 22 -2.926 26.467 1.828 174 HB2 ALA 22 HB2 ALA 22 -4.270 26.926 2.876 175 HB3 ALA 22 HB3 ALA 22 -4.257 25.338 2.103 176 H ALA 23 HN ALA 23 -5.021 24.712 4.867 177 HA ALA 23 HA ALA 23 -5.603 26.882 6.569 178 HB1 ALA 23 HB1 ALA 23 -7.434 25.502 6.329 179 HB2 ALA 23 HB2 ALA 23 -6.835 24.932 7.882 180 HB3 ALA 23 HB3 ALA 23 -6.473 24.028 6.411 181 H PHE 24 HN PHE 24 -3.758 23.917 7.066 182 HA PHE 24 HA PHE 24 -3.369 24.119 9.815 183 HB2 PHE 24 HB2 PHE 24 -2.698 22.102 8.797 184 HB3 PHE 24 HB1 PHE 24 -1.688 22.929 7.628 185 HD1 PHE 24 HD1 PHE 24 -2.025 22.657 11.386 186 HD2 PHE 24 HD2 PHE 24 0.590 22.933 7.985 187 HE1 PHE 24 HE1 PHE 24 -0.059 22.463 12.877 188 HE2 PHE 24 HE2 PHE 24 2.554 22.738 9.483 189 HZ PHE 24 HZ PHE 24 2.230 22.505 11.929 190 H ASP 25 HN ASP 25 -1.368 25.366 7.153 191 HA ASP 25 HA ASP 25 0.606 26.590 8.761 192 HB2 ASP 25 HB2 ASP 25 0.767 26.102 6.289 193 HB3 ASP 25 HB1 ASP 25 -0.274 27.496 6.021 194 H ILE 26 HN ILE 26 -2.466 27.756 7.455 195 HA ILE 26 HA ILE 26 -2.215 30.468 8.098 196 HB ILE 26 HB ILE 26 -4.511 28.602 7.712 197 HG12 ILE 26 HG12 ILE 26 -4.780 31.026 6.310 198 HG13 ILE 26 HG11 ILE 26 -3.067 30.629 6.245 199 HG21 ILE 26 HG21 ILE 26 -5.799 30.978 7.999 200 HG22 ILE 26 HG22 ILE 26 -4.582 31.118 9.269 201 HG23 ILE 26 HG23 ILE 26 -5.702 29.756 9.265 202 HD11 ILE 26 HD11 ILE 26 -4.598 28.236 5.823 203 HD12 ILE 26 HD12 ILE 26 -3.466 29.024 4.725 204 HD13 ILE 26 HD13 ILE 26 -5.167 29.488 4.719 205 H PHE 27 HN PHE 27 -3.419 27.756 10.065 206 HA PHE 27 HA PHE 27 -4.174 29.302 12.298 207 HB2 PHE 27 HB2 PHE 27 -3.428 26.422 11.895 208 HB3 PHE 27 HB1 PHE 27 -3.651 27.053 13.527 209 HD1 PHE 27 HD1 PHE 27 -5.337 27.168 10.197 210 HD2 PHE 27 HD2 PHE 27 -5.761 26.961 14.453 211 HE1 PHE 27 HE1 PHE 27 -7.784 26.961 9.933 212 HE2 PHE 27 HE2 PHE 27 -8.220 26.766 14.203 213 HZ PHE 27 HZ PHE 27 -9.237 26.770 11.939 214 H VAL 28 HN VAL 28 -1.114 27.748 11.424 215 HA VAL 28 HA VAL 28 0.178 29.007 13.745 216 HB VAL 28 HB VAL 28 2.140 27.544 13.019 217 HG11 VAL 28 HG11 VAL 28 1.203 26.585 14.849 218 HG12 VAL 28 HG12 VAL 28 0.555 25.424 13.689 219 HG13 VAL 28 HG13 VAL 28 -0.437 26.779 14.232 220 HG21 VAL 28 HG21 VAL 28 0.399 25.635 11.710 221 HG22 VAL 28 HG22 VAL 28 1.946 26.285 11.165 222 HG23 VAL 28 HG23 VAL 28 0.448 27.151 10.810 223 H LEU 29 HN LEU 29 -0.672 30.379 11.226 224 HA LEU 29 HA LEU 29 1.484 30.955 9.547 225 HB2 LEU 29 HB2 LEU 29 -1.060 31.714 9.530 226 HB3 LEU 29 HB1 LEU 29 -0.397 33.146 10.310 227 HG LEU 29 HG LEU 29 1.281 32.380 8.093 228 HD11 LEU 29 HD11 LEU 29 -0.793 33.250 6.533 229 HD12 LEU 29 HD12 LEU 29 -1.647 32.222 7.684 230 HD13 LEU 29 HD13 LEU 29 -0.335 31.556 6.709 231 HD21 LEU 29 HD21 LEU 29 -0.176 34.721 9.171 232 HD22 LEU 29 HD22 LEU 29 0.132 34.763 7.434 233 HD23 LEU 29 HD23 LEU 29 1.477 34.608 8.565 234 H GLY 30 HN GLY 30 3.452 31.478 10.292 235 HA2 GLY 30 HA2 GLY 30 5.051 33.009 11.052 236 HA3 GLY 30 HA1 GLY 30 3.768 33.941 11.815 237 H ALA 31 HN ALA 31 3.376 30.710 12.574 238 HA ALA 31 HA ALA 31 3.958 31.072 15.323 239 HB1 ALA 31 HB1 ALA 31 3.624 28.594 15.466 240 HB2 ALA 31 HB2 ALA 31 3.532 28.547 13.707 241 HB3 ALA 31 HB3 ALA 31 2.312 29.428 14.631 242 H GLU 32 HN GLU 32 5.702 30.544 16.552 243 HA GLU 32 HA GLU 32 8.255 30.463 15.348 244 HB2 GLU 32 HB2 GLU 32 7.321 29.854 18.153 245 HB3 GLU 32 HB1 GLU 32 9.021 29.898 17.681 246 HG2 GLU 32 HG2 GLU 32 8.910 32.203 17.085 247 HG3 GLU 32 HG1 GLU 32 7.148 32.208 17.143 248 H ASP 33 HN ASP 33 6.228 27.935 16.791 249 HA ASP 33 HA ASP 33 8.212 25.900 16.059 250 HB2 ASP 33 HB2 ASP 33 7.016 26.006 18.331 251 HB3 ASP 33 HB1 ASP 33 5.599 25.420 17.472 252 H GLY 34 HN GLY 34 5.186 27.217 15.049 253 HA2 GLY 34 HA2 GLY 34 4.160 26.891 12.967 254 HA3 GLY 34 HA1 GLY 34 5.131 25.444 12.730 255 H SER 35 HN SER 35 4.137 24.988 15.733 256 HA SER 35 HA SER 35 1.987 23.226 14.921 257 HB2 SER 35 HB2 SER 35 2.046 22.434 17.225 258 HB3 SER 35 HB1 SER 35 3.653 22.465 16.563 259 HG SER 35 HG SER 35 4.131 23.719 18.175 260 H ILE 36 HN ILE 36 -0.165 23.490 15.323 261 HA ILE 36 HA ILE 36 -1.091 26.135 15.916 262 HB ILE 36 HB ILE 36 -2.563 23.533 15.570 263 HG12 ILE 36 HG12 ILE 36 -2.272 25.891 13.696 264 HG13 ILE 36 HG11 ILE 36 -1.305 24.426 13.597 265 HG21 ILE 36 HG21 ILE 36 -3.502 26.324 16.141 266 HG22 ILE 36 HG22 ILE 36 -4.116 24.779 16.762 267 HG23 ILE 36 HG23 ILE 36 -4.480 25.275 15.106 268 HD11 ILE 36 HD11 ILE 36 -3.680 23.246 13.646 269 HD12 ILE 36 HD12 ILE 36 -3.012 23.869 12.134 270 HD13 ILE 36 HD13 ILE 36 -4.217 24.806 13.018 271 H SER 37 HN SER 37 -0.905 26.883 17.923 272 HA SER 37 HA SER 37 -1.618 25.149 20.197 273 HB2 SER 37 HB2 SER 37 -0.591 26.998 21.561 274 HB3 SER 37 HB1 SER 37 0.536 26.201 20.474 275 HG SER 37 HG SER 37 -0.734 28.218 19.224 276 H THR 38 HN THR 38 -2.473 26.805 22.073 277 HA THR 38 HA THR 38 -5.117 27.436 21.283 278 HB THR 38 HB THR 38 -5.110 28.644 23.559 279 HG1 THR 38 HG1 THR 38 -3.079 28.966 24.098 280 HG21 THR 38 HG21 THR 38 -5.857 26.678 24.364 281 HG22 THR 38 HG22 THR 38 -4.312 25.868 24.104 282 HG23 THR 38 HG23 THR 38 -5.469 26.023 22.769 283 H LYS 39 HN LYS 39 -2.163 29.297 21.424 284 HA LYS 39 HA LYS 39 -3.433 31.853 21.162 285 HB2 LYS 39 HB2 LYS 39 -0.618 30.828 20.882 286 HB3 LYS 39 HB1 LYS 39 -1.018 32.465 20.362 287 HG2 LYS 39 HG2 LYS 39 -1.758 31.413 23.102 288 HG3 LYS 39 HG1 LYS 39 -0.223 32.225 22.786 289 HD2 LYS 39 HD2 LYS 39 -1.456 34.194 21.922 290 HD3 LYS 39 HD1 LYS 39 -2.981 33.390 22.291 291 HE2 LYS 39 HE2 LYS 39 -2.384 33.308 24.671 292 HE3 LYS 39 HE1 LYS 39 -0.830 34.066 24.321 293 HZ1 LYS 39 HZ1 LYS 39 -3.303 35.302 24.772 294 HZ2 LYS 39 HZ2 LYS 39 -2.841 35.627 23.169 295 HZ3 LYS 39 HZ3 LYS 39 -1.805 36.033 24.453 296 H GLU 40 HN GLU 40 -1.735 29.690 18.907 297 HA GLU 40 HA GLU 40 -2.335 31.231 16.586 298 HB2 GLU 40 HB2 GLU 40 -1.235 28.500 17.087 299 HB3 GLU 40 HB1 GLU 40 -1.719 28.953 15.464 300 HG2 GLU 40 HG2 GLU 40 0.626 29.493 15.724 301 HG3 GLU 40 HG1 GLU 40 -0.283 30.997 15.682 302 H LEU 41 HN LEU 41 -3.802 28.426 18.109 303 HA LEU 41 HA LEU 41 -5.678 27.825 16.105 304 HB2 LEU 41 HB2 LEU 41 -5.045 26.397 18.122 305 HB3 LEU 41 HB1 LEU 41 -6.103 27.436 19.078 306 HG LEU 41 HG LEU 41 -7.176 26.289 16.532 307 HD11 LEU 41 HD11 LEU 41 -7.035 24.759 19.143 308 HD12 LEU 41 HD12 LEU 41 -6.058 24.396 17.724 309 HD13 LEU 41 HD13 LEU 41 -7.812 24.221 17.655 310 HD21 LEU 41 HD21 LEU 41 -8.531 26.498 19.207 311 HD22 LEU 41 HD22 LEU 41 -9.242 26.598 17.597 312 HD23 LEU 41 HD23 LEU 41 -8.294 27.942 18.227 313 H GLY 42 HN GLY 42 -6.038 29.767 19.097 314 HA2 GLY 42 HA2 GLY 42 -8.692 30.559 18.531 315 HA3 GLY 42 HA1 GLY 42 -7.636 31.359 19.666 316 H LYS 43 HN LYS 43 -5.562 31.805 17.549 317 HA LYS 43 HA LYS 43 -6.229 34.380 16.726 318 HB2 LYS 43 HB2 LYS 43 -3.952 33.780 16.653 319 HB3 LYS 43 HB1 LYS 43 -4.266 32.364 15.649 320 HG2 LYS 43 HG2 LYS 43 -5.242 34.803 14.395 321 HG3 LYS 43 HG1 LYS 43 -3.514 34.895 14.744 322 HD2 LYS 43 HD2 LYS 43 -4.237 32.275 13.701 323 HD3 LYS 43 HD1 LYS 43 -4.702 33.558 12.583 324 HE2 LYS 43 HE2 LYS 43 -2.317 34.511 13.058 325 HE3 LYS 43 HE1 LYS 43 -1.965 32.887 13.648 326 HZ1 LYS 43 HZ1 LYS 43 -2.081 33.785 10.998 327 HZ2 LYS 43 HZ2 LYS 43 -3.332 32.656 11.221 328 HZ3 LYS 43 HZ3 LYS 43 -1.724 32.228 11.564 329 H VAL 44 HN VAL 44 -6.385 31.343 14.858 330 HA VAL 44 HA VAL 44 -7.675 32.611 12.598 331 HB VAL 44 HB VAL 44 -6.805 29.872 13.352 332 HG11 VAL 44 HG11 VAL 44 -8.251 29.077 11.331 333 HG12 VAL 44 HG12 VAL 44 -9.287 30.431 11.782 334 HG13 VAL 44 HG13 VAL 44 -8.967 29.140 12.942 335 HG21 VAL 44 HG21 VAL 44 -6.838 30.359 10.568 336 HG22 VAL 44 HG22 VAL 44 -5.444 30.396 11.643 337 HG23 VAL 44 HG23 VAL 44 -6.355 31.870 11.333 338 H MET 45 HN MET 45 -8.705 31.040 15.554 339 HA MET 45 HA MET 45 -11.382 30.524 14.886 340 HB2 MET 45 HB2 MET 45 -10.062 31.255 17.513 341 HB3 MET 45 HB1 MET 45 -11.749 30.777 17.391 342 HG2 MET 45 HG2 MET 45 -9.489 29.073 16.337 343 HG3 MET 45 HG1 MET 45 -10.142 28.894 17.964 344 HE1 MET 45 HE1 MET 45 -13.490 27.462 17.713 345 HE2 MET 45 HE2 MET 45 -13.331 29.217 17.715 346 HE3 MET 45 HE3 MET 45 -12.187 28.237 18.638 347 H ARG 46 HN ARG 46 -9.830 33.424 16.228 348 HA ARG 46 HA ARG 46 -12.217 34.961 16.349 349 HB2 ARG 46 HB2 ARG 46 -9.300 35.736 16.355 350 HB3 ARG 46 HB1 ARG 46 -10.601 36.924 16.459 351 HG2 ARG 46 HG2 ARG 46 -11.471 35.818 18.475 352 HG3 ARG 46 HG1 ARG 46 -10.203 34.597 18.368 353 HD2 ARG 46 HD2 ARG 46 -9.630 36.385 19.993 354 HD3 ARG 46 HD1 ARG 46 -8.484 36.314 18.655 355 HE ARG 46 HE ARG 46 -9.236 38.404 17.957 356 HH11 ARG 46 HH11 ARG 46 -11.377 37.028 20.303 357 HH12 ARG 46 HH12 ARG 46 -12.310 38.473 20.499 358 HH21 ARG 46 HH21 ARG 46 -10.455 40.296 18.206 359 HH22 ARG 46 HH22 ARG 46 -11.787 40.325 19.311 360 H MET 47 HN MET 47 -9.744 34.466 13.927 361 HA MET 47 HA MET 47 -10.367 36.474 12.127 362 HB2 MET 47 HB2 MET 47 -8.960 35.370 10.728 363 HB3 MET 47 HB1 MET 47 -8.644 34.371 12.134 364 HG2 MET 47 HG2 MET 47 -10.733 33.031 11.319 365 HG3 MET 47 HG1 MET 47 -10.376 33.798 9.787 366 HE1 MET 47 HE1 MET 47 -7.940 34.341 9.410 367 HE2 MET 47 HE2 MET 47 -6.848 33.017 9.006 368 HE3 MET 47 HE3 MET 47 -6.760 33.765 10.597 369 H LEU 48 HN LEU 48 -12.038 33.510 12.885 370 HA LEU 48 HA LEU 48 -13.890 33.859 10.646 371 HB2 LEU 48 HB2 LEU 48 -14.005 31.754 12.794 372 HB3 LEU 48 HB1 LEU 48 -14.745 31.718 11.191 373 HG LEU 48 HG LEU 48 -11.798 31.631 11.843 374 HD11 LEU 48 HD11 LEU 48 -12.106 29.530 10.388 375 HD12 LEU 48 HD12 LEU 48 -13.816 29.712 10.763 376 HD13 LEU 48 HD13 LEU 48 -12.646 29.487 12.065 377 HD21 LEU 48 HD21 LEU 48 -11.434 31.552 9.406 378 HD22 LEU 48 HD22 LEU 48 -12.178 33.077 9.884 379 HD23 LEU 48 HD23 LEU 48 -13.158 31.809 9.139 380 H GLY 49 HN GLY 49 -13.579 35.006 13.741 381 HA2 GLY 49 HA2 GLY 49 -15.197 36.575 14.609 382 HA3 GLY 49 HA1 GLY 49 -16.472 35.565 13.936 383 H GLN 50 HN GLN 50 -14.092 33.631 15.275 384 HA GLN 50 HA GLN 50 -15.809 32.912 17.510 385 HB2 GLN 50 HB2 GLN 50 -13.107 31.806 16.770 386 HB3 GLN 50 HB1 GLN 50 -14.301 31.076 17.823 387 HG2 GLN 50 HG2 GLN 50 -14.824 31.700 14.893 388 HG3 GLN 50 HG1 GLN 50 -14.270 30.125 15.469 389 HE21 GLN 50 HE21 GLN 50 -16.804 30.378 14.164 390 HE22 GLN 50 HE22 GLN 50 -18.029 30.093 15.305 391 H ASN 51 HN ASN 51 -15.380 33.259 19.668 392 HA ASN 51 HA ASN 51 -12.844 34.649 20.257 393 HB2 ASN 51 HB2 ASN 51 -14.962 36.094 20.245 394 HB3 ASN 51 HB1 ASN 51 -15.440 35.193 21.679 395 HD21 ASN 51 HD21 ASN 51 -14.498 38.129 21.221 396 HD22 ASN 51 HD22 ASN 51 -13.301 38.341 22.406 397 HA PRO 52 HA PRO 52 -13.603 31.026 23.082 398 HB2 PRO 52 HB2 PRO 52 -11.719 29.332 22.141 399 HB3 PRO 52 HB1 PRO 52 -13.339 29.428 21.445 400 HG2 PRO 52 HG2 PRO 52 -10.771 30.520 20.439 401 HG3 PRO 52 HG1 PRO 52 -12.149 29.855 19.551 402 HD2 PRO 52 HD2 PRO 52 -11.629 32.569 19.876 403 HD3 PRO 52 HD1 PRO 52 -13.173 31.881 19.421 404 H THR 53 HN THR 53 -12.496 30.747 24.983 405 HA THR 53 HA THR 53 -10.154 32.395 25.438 406 HB THR 53 HB THR 53 -10.403 31.708 27.775 407 HG1 THR 53 HG1 THR 53 -12.259 29.920 26.629 408 HG21 THR 53 HG21 THR 53 -11.789 33.516 27.380 409 HG22 THR 53 HG22 THR 53 -12.973 32.322 27.918 410 HG23 THR 53 HG23 THR 53 -12.764 32.645 26.197 411 HA PRO 54 HA PRO 54 -6.927 29.502 25.036 412 HB2 PRO 54 HB2 PRO 54 -6.146 30.096 27.851 413 HB3 PRO 54 HB1 PRO 54 -5.195 30.229 26.362 414 HG2 PRO 54 HG2 PRO 54 -6.114 32.383 27.552 415 HG3 PRO 54 HG1 PRO 54 -6.111 32.264 25.793 416 HD2 PRO 54 HD2 PRO 54 -8.410 31.966 27.706 417 HD3 PRO 54 HD1 PRO 54 -8.369 32.739 26.104 418 H GLU 55 HN GLU 55 -8.709 29.327 28.109 419 HA GLU 55 HA GLU 55 -7.918 26.739 28.868 420 HB2 GLU 55 HB2 GLU 55 -9.086 28.371 30.335 421 HB3 GLU 55 HB1 GLU 55 -10.542 28.072 29.416 422 HG2 GLU 55 HG2 GLU 55 -10.460 25.704 30.027 423 HG3 GLU 55 HG1 GLU 55 -8.982 25.982 30.936 424 H GLU 56 HN GLU 56 -10.801 27.833 27.080 425 HA GLU 56 HA GLU 56 -11.741 25.167 26.603 426 HB2 GLU 56 HB2 GLU 56 -13.503 26.164 25.416 427 HB3 GLU 56 HB1 GLU 56 -13.077 27.408 26.591 428 HG2 GLU 56 HG2 GLU 56 -13.070 28.690 24.678 429 HG3 GLU 56 HG1 GLU 56 -11.398 28.136 24.658 430 H LEU 57 HN LEU 57 -9.748 27.491 24.873 431 HA LEU 57 HA LEU 57 -9.648 26.124 22.393 432 HB2 LEU 57 HB2 LEU 57 -7.889 28.156 23.682 433 HB3 LEU 57 HB1 LEU 57 -7.452 27.428 22.153 434 HG LEU 57 HG LEU 57 -10.080 28.806 22.733 435 HD11 LEU 57 HD11 LEU 57 -8.730 30.622 22.493 436 HD12 LEU 57 HD12 LEU 57 -8.882 30.215 20.780 437 HD13 LEU 57 HD13 LEU 57 -7.464 29.679 21.699 438 HD21 LEU 57 HD21 LEU 57 -9.375 26.937 20.767 439 HD22 LEU 57 HD22 LEU 57 -9.279 28.513 19.969 440 HD23 LEU 57 HD23 LEU 57 -10.781 28.001 20.746 441 H GLN 58 HN GLN 58 -7.648 25.989 25.307 442 HA GLN 58 HA GLN 58 -5.672 24.274 24.281 443 HB2 GLN 58 HB2 GLN 58 -5.503 25.563 26.414 444 HB3 GLN 58 HB1 GLN 58 -6.642 24.429 27.141 445 HG2 GLN 58 HG2 GLN 58 -5.122 22.575 26.730 446 HG3 GLN 58 HG1 GLN 58 -4.013 23.633 25.867 447 HE21 GLN 58 HE21 GLN 58 -5.235 22.798 29.092 448 HE22 GLN 58 HE22 GLN 58 -4.046 23.654 29.948 449 H GLU 59 HN GLU 59 -8.768 23.596 25.909 450 HA GLU 59 HA GLU 59 -8.455 20.784 26.048 451 HB2 GLU 59 HB2 GLU 59 -10.170 21.947 27.314 452 HB3 GLU 59 HB1 GLU 59 -10.938 22.509 25.830 453 HG2 GLU 59 HG2 GLU 59 -11.464 20.221 25.189 454 HG3 GLU 59 HG1 GLU 59 -10.602 19.594 26.593 455 H MET 60 HN MET 60 -10.155 22.786 23.642 456 HA MET 60 HA MET 60 -10.907 20.694 21.938 457 HB2 MET 60 HB2 MET 60 -10.901 22.567 20.158 458 HB3 MET 60 HB1 MET 60 -11.968 22.763 21.549 459 HG2 MET 60 HG2 MET 60 -10.966 24.818 21.666 460 HG3 MET 60 HG1 MET 60 -9.717 23.917 22.520 461 HE1 MET 60 HE1 MET 60 -11.169 24.352 19.168 462 HE2 MET 60 HE2 MET 60 -9.890 24.891 18.084 463 HE3 MET 60 HE3 MET 60 -10.555 26.004 19.282 464 H ILE 61 HN ILE 61 -7.908 22.496 22.223 465 HA ILE 61 HA ILE 61 -6.646 21.629 19.856 466 HB ILE 61 HB ILE 61 -5.599 22.466 22.540 467 HG12 ILE 61 HG12 ILE 61 -5.671 23.693 19.773 468 HG13 ILE 61 HG11 ILE 61 -6.582 24.221 21.155 469 HG21 ILE 61 HG21 ILE 61 -4.087 20.778 21.455 470 HG22 ILE 61 HG22 ILE 61 -3.371 22.388 21.635 471 HG23 ILE 61 HG23 ILE 61 -3.969 21.862 20.064 472 HD11 ILE 61 HD11 ILE 61 -4.277 24.494 22.287 473 HD12 ILE 61 HD12 ILE 61 -4.769 25.690 21.090 474 HD13 ILE 61 HD13 ILE 61 -3.644 24.417 20.644 475 H ASP 62 HN ASP 62 -6.747 20.262 23.123 476 HA ASP 62 HA ASP 62 -5.005 18.112 22.677 477 HB2 ASP 62 HB2 ASP 62 -5.620 18.819 24.907 478 HB3 ASP 62 HB1 ASP 62 -7.294 18.352 24.620 479 H GLU 63 HN GLU 63 -8.325 18.602 21.874 480 HA GLU 63 HA GLU 63 -9.331 16.046 21.598 481 HB2 GLU 63 HB2 GLU 63 -10.228 18.486 20.919 482 HB3 GLU 63 HB1 GLU 63 -9.791 17.895 19.329 483 HG2 GLU 63 HG2 GLU 63 -11.976 17.121 19.499 484 HG3 GLU 63 HG1 GLU 63 -11.073 15.727 20.096 485 H VAL 64 HN VAL 64 -7.120 17.775 19.421 486 HA VAL 64 HA VAL 64 -6.850 15.309 17.811 487 HB VAL 64 HB VAL 64 -5.729 17.080 16.187 488 HG11 VAL 64 HG11 VAL 64 -7.881 17.304 15.078 489 HG12 VAL 64 HG12 VAL 64 -8.736 16.980 16.592 490 HG13 VAL 64 HG13 VAL 64 -7.805 15.698 15.806 491 HG21 VAL 64 HG21 VAL 64 -7.768 18.781 17.628 492 HG22 VAL 64 HG22 VAL 64 -6.629 19.280 16.378 493 HG23 VAL 64 HG23 VAL 64 -6.044 18.870 17.995 494 H ASP 65 HN ASP 65 -5.362 17.045 20.210 495 HA ASP 65 HA ASP 65 -2.640 16.822 19.280 496 HB2 ASP 65 HB2 ASP 65 -3.445 18.563 20.904 497 HB3 ASP 65 HB1 ASP 65 -3.613 17.275 22.092 498 H GLU 66 HN GLU 66 -1.913 14.769 18.961 499 HA GLU 66 HA GLU 66 -2.762 12.487 20.390 500 HB2 GLU 66 HB2 GLU 66 -1.694 12.430 18.159 501 HB3 GLU 66 HB1 GLU 66 -0.172 12.885 18.916 502 HG2 GLU 66 HG2 GLU 66 -0.282 10.869 20.342 503 HG3 GLU 66 HG1 GLU 66 -1.787 10.408 19.550 504 H ASP 67 HN ASP 67 0.144 14.515 20.742 505 HA ASP 67 HA ASP 67 0.952 12.995 23.107 506 HB2 ASP 67 HB2 ASP 67 2.987 14.299 23.028 507 HB3 ASP 67 HB1 ASP 67 2.630 13.701 21.410 508 H GLY 68 HN GLY 68 -1.189 15.418 22.530 509 HA2 GLY 68 HA2 GLY 68 -2.223 16.976 23.870 510 HA3 GLY 68 HA1 GLY 68 -1.533 16.105 25.236 511 H SER 69 HN SER 69 0.437 17.506 22.715 512 HA SER 69 HA SER 69 2.003 18.998 24.575 513 HB2 SER 69 HB2 SER 69 2.902 20.011 22.347 514 HB3 SER 69 HB1 SER 69 3.206 18.307 22.703 515 HG SER 69 HG SER 69 1.492 19.506 20.855 516 H GLY 70 HN GLY 70 -1.025 19.583 23.498 517 HA2 GLY 70 HA2 GLY 70 -2.366 21.448 23.770 518 HA3 GLY 70 HA1 GLY 70 -0.948 22.347 24.303 519 H THR 71 HN THR 71 -0.500 20.669 21.396 520 HA THR 71 HA THR 71 -1.267 22.977 19.743 521 HB THR 71 HB THR 71 1.019 22.548 18.566 522 HG1 THR 71 HG1 THR 71 1.488 21.622 21.193 523 HG21 THR 71 HG21 THR 71 2.083 24.099 20.379 524 HG22 THR 71 HG22 THR 71 0.471 24.061 21.095 525 HG23 THR 71 HG23 THR 71 0.696 24.676 19.456 526 H VAL 72 HN VAL 72 -2.162 22.404 17.856 527 HA VAL 72 HA VAL 72 -2.128 19.560 17.104 528 HB VAL 72 HB VAL 72 -4.370 19.963 17.027 529 HG11 VAL 72 HG11 VAL 72 -4.457 22.019 18.162 530 HG12 VAL 72 HG12 VAL 72 -5.212 22.399 16.614 531 HG13 VAL 72 HG13 VAL 72 -3.539 22.856 16.916 532 HG21 VAL 72 HG21 VAL 72 -5.166 20.546 14.873 533 HG22 VAL 72 HG22 VAL 72 -3.548 19.905 14.585 534 HG23 VAL 72 HG23 VAL 72 -3.820 21.646 14.582 535 H ASP 73 HN ASP 73 -0.567 19.100 15.684 536 HA ASP 73 HA ASP 73 0.473 21.083 13.858 537 HB2 ASP 73 HB2 ASP 73 1.951 19.278 13.103 538 HB3 ASP 73 HB1 ASP 73 1.941 19.377 14.864 539 H PHE 74 HN PHE 74 0.923 19.721 11.538 540 HA PHE 74 HA PHE 74 -1.426 20.108 10.097 541 HB2 PHE 74 HB2 PHE 74 0.522 20.095 8.805 542 HB3 PHE 74 HB1 PHE 74 1.106 18.598 9.532 543 HD1 PHE 74 HD1 PHE 74 -2.348 19.263 8.273 544 HD2 PHE 74 HD2 PHE 74 1.384 17.229 7.612 545 HE1 PHE 74 HE1 PHE 74 -3.393 17.931 6.447 546 HE2 PHE 74 HE2 PHE 74 0.344 15.907 5.793 547 HZ PHE 74 HZ PHE 74 -2.040 16.255 5.211 548 H ASP 75 HN ASP 75 0.008 17.034 11.219 549 HA ASP 75 HA ASP 75 -2.047 15.377 10.236 550 HB2 ASP 75 HB2 ASP 75 -0.089 15.038 12.487 551 HB3 ASP 75 HB1 ASP 75 -1.211 13.774 11.992 552 H GLU 76 HN GLU 76 -1.611 16.951 13.379 553 HA GLU 76 HA GLU 76 -3.871 15.811 14.652 554 HB2 GLU 76 HB2 GLU 76 -2.348 18.388 15.138 555 HB3 GLU 76 HB1 GLU 76 -3.611 17.784 16.210 556 HG2 GLU 76 HG2 GLU 76 -2.354 15.878 16.814 557 HG3 GLU 76 HG1 GLU 76 -1.278 16.040 15.429 558 H PHE 77 HN PHE 77 -3.401 18.798 12.807 559 HA PHE 77 HA PHE 77 -6.056 19.760 13.191 560 HB2 PHE 77 HB2 PHE 77 -5.132 21.601 12.284 561 HB3 PHE 77 HB1 PHE 77 -3.654 20.691 11.984 562 HD1 PHE 77 HD1 PHE 77 -6.977 21.553 10.562 563 HD2 PHE 77 HD2 PHE 77 -3.050 20.016 9.801 564 HE1 PHE 77 HE1 PHE 77 -7.413 21.619 8.125 565 HE2 PHE 77 HE2 PHE 77 -3.486 20.091 7.367 566 HZ PHE 77 HZ PHE 77 -5.670 20.897 6.534 567 H LEU 78 HN LEU 78 -4.430 17.974 10.596 568 HA LEU 78 HA LEU 78 -6.555 17.864 8.779 569 HB2 LEU 78 HB2 LEU 78 -4.006 16.968 8.749 570 HB3 LEU 78 HB1 LEU 78 -4.834 15.445 9.063 571 HG LEU 78 HG LEU 78 -4.575 15.823 6.636 572 HD11 LEU 78 HD11 LEU 78 -6.878 15.118 7.968 573 HD12 LEU 78 HD12 LEU 78 -6.587 14.935 6.231 574 HD13 LEU 78 HD13 LEU 78 -7.421 16.365 6.844 575 HD21 LEU 78 HD21 LEU 78 -5.201 18.473 7.307 576 HD22 LEU 78 HD22 LEU 78 -6.561 17.879 6.359 577 HD23 LEU 78 HD23 LEU 78 -4.932 17.814 5.694 578 H VAL 79 HN VAL 79 -5.798 15.921 11.614 579 HA VAL 79 HA VAL 79 -7.754 13.941 11.281 580 HB VAL 79 HB VAL 79 -6.433 15.044 13.726 581 HG11 VAL 79 HG11 VAL 79 -7.456 12.768 14.633 582 HG12 VAL 79 HG12 VAL 79 -8.689 13.115 13.421 583 HG13 VAL 79 HG13 VAL 79 -8.372 14.274 14.713 584 HG21 VAL 79 HG21 VAL 79 -5.685 13.220 11.715 585 HG22 VAL 79 HG22 VAL 79 -6.117 12.228 13.109 586 HG23 VAL 79 HG23 VAL 79 -4.869 13.469 13.260 587 H MET 80 HN MET 80 -7.833 17.093 12.862 588 HA MET 80 HA MET 80 -10.386 16.978 13.957 589 HB2 MET 80 HB2 MET 80 -9.009 18.836 14.480 590 HB3 MET 80 HB1 MET 80 -8.820 19.264 12.789 591 HG2 MET 80 HG2 MET 80 -11.428 19.516 12.823 592 HG3 MET 80 HG1 MET 80 -11.219 19.630 14.564 593 HE1 MET 80 HE1 MET 80 -8.471 20.644 14.809 594 HE2 MET 80 HE2 MET 80 -8.176 22.320 14.361 595 HE3 MET 80 HE3 MET 80 -7.899 21.038 13.186 596 H MET 81 HN MET 81 -9.393 17.859 10.662 597 HA MET 81 HA MET 81 -11.911 18.633 9.709 598 HB2 MET 81 HB2 MET 81 -9.522 17.421 8.346 599 HB3 MET 81 HB1 MET 81 -10.940 17.961 7.464 600 HG2 MET 81 HG2 MET 81 -9.322 19.689 9.317 601 HG3 MET 81 HG1 MET 81 -9.166 19.692 7.567 602 HE1 MET 81 HE1 MET 81 -9.584 21.690 9.684 603 HE2 MET 81 HE2 MET 81 -11.208 21.910 10.330 604 HE3 MET 81 HE3 MET 81 -10.665 22.898 8.976 605 H VAL 82 HN VAL 82 -10.312 15.493 9.724 606 HA VAL 82 HA VAL 82 -12.491 14.097 8.513 607 HB VAL 82 HB VAL 82 -10.497 12.942 8.202 608 HG11 VAL 82 HG11 VAL 82 -9.376 14.388 10.028 609 HG12 VAL 82 HG12 VAL 82 -8.753 12.769 9.778 610 HG13 VAL 82 HG13 VAL 82 -9.832 13.100 11.132 611 HG21 VAL 82 HG21 VAL 82 -12.274 11.458 9.165 612 HG22 VAL 82 HG22 VAL 82 -11.575 11.738 10.766 613 HG23 VAL 82 HG23 VAL 82 -10.638 10.896 9.519 614 H ARG 83 HN ARG 83 -11.534 14.859 11.771 615 HA ARG 83 HA ARG 83 -13.143 13.028 13.156 616 HB2 ARG 83 HB2 ARG 83 -12.068 15.748 13.835 617 HB3 ARG 83 HB1 ARG 83 -13.075 14.856 14.966 618 HG2 ARG 83 HG2 ARG 83 -11.505 12.973 14.914 619 HG3 ARG 83 HG1 ARG 83 -10.495 13.825 13.742 620 HD2 ARG 83 HD2 ARG 83 -9.836 15.446 15.311 621 HD3 ARG 83 HD1 ARG 83 -11.196 15.105 16.377 622 HE ARG 83 HE ARG 83 -8.710 13.566 16.187 623 HH11 ARG 83 HH11 ARG 83 -11.929 13.933 17.408 624 HH12 ARG 83 HH12 ARG 83 -11.715 12.798 18.699 625 HH21 ARG 83 HH21 ARG 83 -8.430 12.065 17.871 626 HH22 ARG 83 HH22 ARG 83 -9.738 11.741 18.960 627 H SER 84 HN SER 84 -13.811 16.311 11.973 628 HA SER 84 HA SER 84 -16.479 16.422 12.995 629 HB2 SER 84 HB2 SER 84 -16.706 18.427 11.655 630 HB3 SER 84 HB1 SER 84 -15.119 18.433 12.418 631 HG SER 84 HG SER 84 -14.521 17.291 10.319 632 H MET 85 HN MET 85 -15.010 15.405 9.966 633 HA MET 85 HA MET 85 -17.351 15.206 8.414 634 HB2 MET 85 HB2 MET 85 -14.713 13.736 8.277 635 HB3 MET 85 HB1 MET 85 -16.000 13.502 7.094 636 HG2 MET 85 HG2 MET 85 -15.985 16.015 6.747 637 HG3 MET 85 HG1 MET 85 -14.538 16.075 7.726 638 HE1 MET 85 HE1 MET 85 -12.601 15.542 7.383 639 HE2 MET 85 HE2 MET 85 -11.806 15.613 5.815 640 HE3 MET 85 HE3 MET 85 -12.150 14.046 6.549 641 H LYS 86 HN LYS 86 -15.773 12.894 10.591 642 HA LYS 86 HA LYS 86 -17.509 10.717 9.996 643 HB2 LYS 86 HB2 LYS 86 -15.182 10.797 11.226 644 HB3 LYS 86 HB1 LYS 86 -16.184 11.010 12.664 645 HG2 LYS 86 HG2 LYS 86 -16.124 8.703 12.592 646 HG3 LYS 86 HG1 LYS 86 -17.533 8.984 11.569 647 HD2 LYS 86 HD2 LYS 86 -15.772 9.130 9.634 648 HD3 LYS 86 HD1 LYS 86 -14.726 8.267 10.759 649 HE2 LYS 86 HE2 LYS 86 -15.805 6.565 9.504 650 HE3 LYS 86 HE1 LYS 86 -16.672 6.611 11.040 651 HZ1 LYS 86 HZ1 LYS 86 -17.585 8.292 8.809 652 HZ2 LYS 86 HZ2 LYS 86 -18.476 7.641 10.101 653 HZ3 LYS 86 HZ3 LYS 86 -17.979 6.643 8.818 654 H ASP 87 HN ASP 87 -17.495 13.222 12.503 655 HA ASP 87 HA ASP 87 -20.093 12.268 13.500 656 HB2 ASP 87 HB2 ASP 87 -18.109 14.251 14.634 657 HB3 ASP 87 HB1 ASP 87 -19.680 13.907 15.352 658 H ASP 88 HN ASP 88 -19.319 13.989 11.003 659 HA ASP 88 HA ASP 88 -20.370 16.563 11.267 660 HB2 ASP 88 HB2 ASP 88 -19.220 15.992 9.261 661 HB3 ASP 88 HB1 ASP 88 -20.316 14.650 8.931 662 H SER 89 HN SER 89 -22.036 13.560 10.296 663 HA SER 89 HA SER 89 -24.548 14.716 11.294 664 HB2 SER 89 HB2 SER 89 -24.660 15.189 8.942 665 HB3 SER 89 HB1 SER 89 -24.131 13.559 8.533 666 HG SER 89 HG SER 89 -26.575 14.428 9.658 667 H LYS 90 HN LYS 90 -25.728 13.302 12.423 668 HA LYS 90 HA LYS 90 -24.726 10.759 13.100 669 HB2 LYS 90 HB2 LYS 90 -26.224 11.991 14.584 670 HB3 LYS 90 HB1 LYS 90 -27.528 11.871 13.401 671 HG2 LYS 90 HG2 LYS 90 -26.338 9.271 14.016 672 HG3 LYS 90 HG1 LYS 90 -27.026 10.054 15.440 673 HD2 LYS 90 HD2 LYS 90 -29.134 10.426 14.185 674 HD3 LYS 90 HD1 LYS 90 -28.444 9.561 12.812 675 HE2 LYS 90 HE2 LYS 90 -29.799 7.999 14.074 676 HE3 LYS 90 HE1 LYS 90 -28.104 7.577 14.320 677 HZ1 LYS 90 HZ1 LYS 90 -28.126 8.329 16.458 678 HZ2 LYS 90 HZ2 LYS 90 -29.739 7.808 16.330 679 HZ3 LYS 90 HZ3 LYS 90 -29.360 9.458 16.182 680 H GLY 136 HN GLY 136 -27.325 11.748 10.905 681 HA2 GLY 136 HA2 GLY 136 -27.233 9.046 9.699 682 HA3 GLY 136 HA1 GLY 136 -28.738 9.939 9.904 683 H LYS 137 HN LYS 137 -29.352 11.377 8.364 684 HA LYS 137 HA LYS 137 -27.422 11.917 6.184 685 HB2 LYS 137 HB2 LYS 137 -30.250 11.015 6.137 686 HB3 LYS 137 HB1 LYS 137 -29.781 12.210 4.929 687 HG2 LYS 137 HG2 LYS 137 -27.764 10.696 4.446 688 HG3 LYS 137 HG1 LYS 137 -28.607 9.463 5.385 689 HD2 LYS 137 HD2 LYS 137 -29.648 8.924 3.448 690 HD3 LYS 137 HD1 LYS 137 -30.581 10.403 3.686 691 HE2 LYS 137 HE2 LYS 137 -29.332 11.609 2.158 692 HE3 LYS 137 HE1 LYS 137 -27.885 10.631 2.413 693 HZ1 LYS 137 HZ1 LYS 137 -30.255 10.042 0.770 694 HZ2 LYS 137 HZ2 LYS 137 -29.317 8.768 1.387 695 HZ3 LYS 137 HZ3 LYS 137 -28.613 9.926 0.363 696 H PHE 138 HN PHE 138 -30.559 13.136 7.381 697 HA PHE 138 HA PHE 138 -29.432 15.817 7.635 698 HB2 PHE 138 HB2 PHE 138 -31.400 15.010 5.545 699 HB3 PHE 138 HB1 PHE 138 -31.616 16.576 6.326 700 HD1 PHE 138 HD1 PHE 138 -29.346 14.513 4.265 701 HD2 PHE 138 HD2 PHE 138 -30.024 18.373 6.022 702 HE1 PHE 138 HE1 PHE 138 -27.536 15.469 2.863 703 HE2 PHE 138 HE2 PHE 138 -28.214 19.330 4.621 704 HZ PHE 138 HZ PHE 138 -26.971 17.878 3.042 705 H LYS 139 HN LYS 139 -32.836 15.240 7.197 706 HA LYS 139 HA LYS 139 -34.532 15.901 8.671 707 HB2 LYS 139 HB2 LYS 139 -33.377 13.318 9.243 708 HB3 LYS 139 HB1 LYS 139 -34.040 14.032 10.713 709 HG2 LYS 139 HG2 LYS 139 -36.058 14.634 9.079 710 HG3 LYS 139 HG1 LYS 139 -35.440 13.236 8.196 711 HD2 LYS 139 HD2 LYS 139 -37.063 12.388 9.741 712 HD3 LYS 139 HD1 LYS 139 -35.483 11.979 10.414 713 HE2 LYS 139 HE2 LYS 139 -35.583 14.029 11.818 714 HE3 LYS 139 HE1 LYS 139 -37.198 14.354 11.193 715 HZ1 LYS 139 HZ1 LYS 139 -36.338 12.423 13.157 716 HZ2 LYS 139 HZ2 LYS 139 -37.406 11.798 11.992 717 HZ3 LYS 139 HZ3 LYS 139 -37.860 13.139 12.931 718 H ARG 140 HN ARG 140 -32.519 14.690 11.259 719 HA ARG 140 HA ARG 140 -32.405 17.410 12.425 720 HB2 ARG 140 HB2 ARG 140 -32.615 14.769 13.871 721 HB3 ARG 140 HB1 ARG 140 -32.544 16.344 14.627 722 HG2 ARG 140 HG2 ARG 140 -34.626 16.043 12.562 723 HG3 ARG 140 HG1 ARG 140 -34.871 15.090 14.024 724 HD2 ARG 140 HD2 ARG 140 -34.483 17.191 15.357 725 HD3 ARG 140 HD1 ARG 140 -34.470 18.086 13.841 726 HE ARG 140 HE ARG 140 -36.827 16.497 14.034 727 HH11 ARG 140 HH11 ARG 140 -35.278 19.330 15.269 728 HH12 ARG 140 HH12 ARG 140 -36.758 20.152 15.633 729 HH21 ARG 140 HH21 ARG 140 -38.779 17.566 14.514 730 HH22 ARG 140 HH22 ARG 140 -38.741 19.153 15.206 731 HA PRO 141 HA PRO 141 -28.080 16.847 12.851 732 HB2 PRO 141 HB2 PRO 141 -27.568 18.377 15.040 733 HB3 PRO 141 HB1 PRO 141 -28.060 19.050 13.475 734 HG2 PRO 141 HG2 PRO 141 -29.589 18.774 15.958 735 HG3 PRO 141 HG1 PRO 141 -29.805 19.891 14.613 736 HD2 PRO 141 HD2 PRO 141 -31.292 17.513 15.137 737 HD3 PRO 141 HD1 PRO 141 -31.447 18.561 13.723 738 H THR 142 HN THR 142 -26.288 16.108 14.247 739 HA THR 142 HA THR 142 -26.915 13.700 15.585 740 HB THR 142 HB THR 142 -24.393 15.359 15.668 741 HG1 THR 142 HG1 THR 142 -25.459 13.409 13.971 742 HG21 THR 142 HG21 THR 142 -24.695 12.418 16.254 743 HG22 THR 142 HG22 THR 142 -24.815 13.636 17.529 744 HG23 THR 142 HG23 THR 142 -23.319 13.466 16.600 745 H LEU 143 HN LEU 143 -24.769 15.737 17.350 746 HA LEU 143 HA LEU 143 -26.760 15.921 19.523 747 HB2 LEU 143 HB2 LEU 143 -24.175 14.594 19.448 748 HB3 LEU 143 HB1 LEU 143 -24.249 15.798 20.739 749 HG LEU 143 HG LEU 143 -25.064 13.754 21.684 750 HD11 LEU 143 HD11 LEU 143 -27.751 14.705 21.137 751 HD12 LEU 143 HD12 LEU 143 -26.650 16.043 21.459 752 HD13 LEU 143 HD13 LEU 143 -26.840 14.753 22.646 753 HD21 LEU 143 HD21 LEU 143 -25.598 12.292 19.977 754 HD22 LEU 143 HD22 LEU 143 -26.416 13.535 19.030 755 HD23 LEU 143 HD23 LEU 143 -27.224 12.812 20.421 756 H ARG 144 HN ARG 144 -23.400 17.013 19.396 757 HA ARG 144 HA ARG 144 -24.371 19.781 19.764 758 HB2 ARG 144 HB2 ARG 144 -21.817 18.421 20.649 759 HB3 ARG 144 HB1 ARG 144 -22.070 20.163 20.740 760 HG2 ARG 144 HG2 ARG 144 -23.948 19.887 22.231 761 HG3 ARG 144 HG1 ARG 144 -23.932 18.138 22.007 762 HD2 ARG 144 HD2 ARG 144 -22.866 18.729 24.133 763 HD3 ARG 144 HD1 ARG 144 -21.685 18.035 23.033 764 HE ARG 144 HE ARG 144 -21.914 20.900 23.720 765 HH11 ARG 144 HH11 ARG 144 -20.205 18.225 22.301 766 HH12 ARG 144 HH12 ARG 144 -18.728 19.103 22.114 767 HH21 ARG 144 HH21 ARG 144 -19.973 22.039 23.463 768 HH22 ARG 144 HH22 ARG 144 -18.597 21.253 22.765 769 H ARG 145 HN ARG 145 -23.927 21.241 18.247 770 HA ARG 145 HA ARG 145 -21.982 20.511 16.138 771 HB2 ARG 145 HB2 ARG 145 -24.375 22.356 15.907 772 HB3 ARG 145 HB1 ARG 145 -23.313 21.834 14.599 773 HG2 ARG 145 HG2 ARG 145 -23.978 19.431 15.258 774 HG3 ARG 145 HG1 ARG 145 -25.284 20.181 16.176 775 HD2 ARG 145 HD2 ARG 145 -24.770 20.586 13.217 776 HD3 ARG 145 HD1 ARG 145 -26.023 19.554 13.900 777 HE ARG 145 HE ARG 145 -26.493 22.009 15.028 778 HH11 ARG 145 HH11 ARG 145 -26.090 20.783 11.817 779 HH12 ARG 145 HH12 ARG 145 -27.147 21.947 11.090 780 HH21 ARG 145 HH21 ARG 145 -27.882 23.539 14.082 781 HH22 ARG 145 HH22 ARG 145 -28.160 23.508 12.373 782 H VAL 146 HN VAL 146 -22.040 23.100 14.933 783 HA VAL 146 HA VAL 146 -21.158 25.230 15.123 784 HB VAL 146 HB VAL 146 -20.746 24.965 18.068 785 HG11 VAL 146 HG11 VAL 146 -20.854 27.024 16.081 786 HG12 VAL 146 HG12 VAL 146 -20.511 27.186 17.804 787 HG13 VAL 146 HG13 VAL 146 -22.173 27.288 17.221 788 HG21 VAL 146 HG21 VAL 146 -22.882 24.161 18.265 789 HG22 VAL 146 HG22 VAL 146 -23.331 24.673 16.638 790 HG23 VAL 146 HG23 VAL 146 -23.321 25.840 17.960 791 H ARG 147 HN ARG 147 -19.590 23.053 14.464 792 HA ARG 147 HA ARG 147 -17.112 23.310 16.017 793 HB2 ARG 147 HB2 ARG 147 -18.236 21.323 14.118 794 HB3 ARG 147 HB1 ARG 147 -16.485 21.522 14.117 795 HG2 ARG 147 HG2 ARG 147 -16.922 19.835 15.740 796 HG3 ARG 147 HG1 ARG 147 -16.615 21.304 16.666 797 HD2 ARG 147 HD2 ARG 147 -18.731 21.410 17.439 798 HD3 ARG 147 HD1 ARG 147 -19.426 20.955 15.887 799 HE ARG 147 HE ARG 147 -19.277 18.687 16.524 800 HH11 ARG 147 HH11 ARG 147 -17.884 20.843 18.849 801 HH12 ARG 147 HH12 ARG 147 -17.804 19.652 20.105 802 HH21 ARG 147 HH21 ARG 147 -19.171 17.127 18.159 803 HH22 ARG 147 HH22 ARG 147 -18.533 17.547 19.714 804 H ILE 148 HN ILE 148 -16.542 25.439 15.344 805 HA ILE 148 HA ILE 148 -16.067 27.080 13.658 806 HB ILE 148 HB ILE 148 -14.045 26.245 14.851 807 HG12 ILE 148 HG12 ILE 148 -13.694 26.993 11.934 808 HG13 ILE 148 HG11 ILE 148 -13.920 28.121 13.274 809 HG21 ILE 148 HG21 ILE 148 -12.861 24.429 14.149 810 HG22 ILE 148 HG22 ILE 148 -13.164 24.767 12.444 811 HG23 ILE 148 HG23 ILE 148 -14.396 23.962 13.418 812 HD11 ILE 148 HD11 ILE 148 -11.754 26.178 13.697 813 HD12 ILE 148 HD12 ILE 148 -11.773 27.920 13.962 814 HD13 ILE 148 HD13 ILE 148 -11.479 27.281 12.350 815 H SER 149 HN SER 149 -17.814 26.349 12.117 816 HA SER 149 HA SER 149 -17.908 24.584 10.166 817 HB2 SER 149 HB2 SER 149 -18.418 27.488 10.164 818 HB3 SER 149 HB1 SER 149 -18.226 26.769 8.566 819 HG SER 149 HG SER 149 -19.892 25.386 9.003 820 H ALA 150 HN ALA 150 -16.341 23.561 9.108 821 HA ALA 150 HA ALA 150 -13.778 24.587 8.572 822 HB1 ALA 150 HB1 ALA 150 -15.306 22.296 7.328 823 HB2 ALA 150 HB2 ALA 150 -14.093 22.211 8.607 824 HB3 ALA 150 HB3 ALA 150 -13.617 22.648 6.966 825 H ASP 151 HN ASP 151 -16.714 24.460 6.601 826 HA ASP 151 HA ASP 151 -15.820 25.144 4.109 827 HB2 ASP 151 HB2 ASP 151 -18.281 25.159 5.419 828 HB3 ASP 151 HB1 ASP 151 -18.082 26.822 4.856 829 H ALA 152 HN ALA 152 -17.220 27.736 6.043 830 HA ALA 152 HA ALA 152 -15.772 29.772 4.764 831 HB1 ALA 152 HB1 ALA 152 -16.834 31.226 6.210 832 HB2 ALA 152 HB2 ALA 152 -16.793 30.084 7.556 833 HB3 ALA 152 HB3 ALA 152 -17.926 29.838 6.223 834 H MET 153 HN MET 153 -15.110 27.906 7.681 835 HA MET 153 HA MET 153 -13.104 29.393 8.849 836 HB2 MET 153 HB2 MET 153 -13.837 27.393 9.929 837 HB3 MET 153 HB1 MET 153 -13.445 26.406 8.525 838 HG2 MET 153 HG2 MET 153 -11.031 26.964 8.857 839 HG3 MET 153 HG1 MET 153 -11.465 27.830 10.332 840 HE1 MET 153 HE1 MET 153 -9.560 24.904 11.521 841 HE2 MET 153 HE2 MET 153 -9.431 26.125 10.247 842 HE3 MET 153 HE3 MET 153 -9.685 24.437 9.814 843 H MET 154 HN MET 154 -12.736 26.933 6.295 844 HA MET 154 HA MET 154 -9.962 27.455 5.942 845 HB2 MET 154 HB2 MET 154 -11.976 26.084 4.167 846 HB3 MET 154 HB1 MET 154 -10.250 26.169 3.824 847 HG2 MET 154 HG2 MET 154 -10.140 25.276 6.363 848 HG3 MET 154 HG1 MET 154 -11.691 24.585 5.885 849 HE1 MET 154 HE1 MET 154 -8.446 25.577 4.810 850 HE2 MET 154 HE2 MET 154 -8.103 24.663 3.341 851 HE3 MET 154 HE3 MET 154 -7.544 24.054 4.896 852 H GLN 155 HN GLN 155 -12.906 28.740 4.562 853 HA GLN 155 HA GLN 155 -11.840 29.986 2.287 854 HB2 GLN 155 HB2 GLN 155 -14.165 30.775 4.052 855 HB3 GLN 155 HB1 GLN 155 -13.783 31.567 2.524 856 HG2 GLN 155 HG2 GLN 155 -13.872 29.274 1.453 857 HG3 GLN 155 HG1 GLN 155 -14.559 28.694 2.971 858 HE21 GLN 155 HE21 GLN 155 -15.471 29.753 -0.044 859 HE22 GLN 155 HE22 GLN 155 -17.015 30.351 0.331 860 H ALA 156 HN ALA 156 -12.128 31.105 5.638 861 HA ALA 156 HA ALA 156 -11.162 33.726 5.209 862 HB1 ALA 156 HB1 ALA 156 -11.499 31.922 7.560 863 HB2 ALA 156 HB2 ALA 156 -12.119 33.554 7.293 864 HB3 ALA 156 HB3 ALA 156 -10.430 33.316 7.745 865 H LEU 157 HN LEU 157 -9.549 30.686 6.060 866 HA LEU 157 HA LEU 157 -6.943 31.782 6.368 867 HB2 LEU 157 HB2 LEU 157 -7.173 29.007 5.382 868 HB3 LEU 157 HB1 LEU 157 -6.269 29.642 6.750 869 HG LEU 157 HG LEU 157 -9.254 29.220 6.641 870 HD11 LEU 157 HD11 LEU 157 -7.058 27.809 8.150 871 HD12 LEU 157 HD12 LEU 157 -8.064 27.136 6.868 872 HD13 LEU 157 HD13 LEU 157 -8.784 27.557 8.419 873 HD21 LEU 157 HD21 LEU 157 -7.873 31.091 8.138 874 HD22 LEU 157 HD22 LEU 157 -8.002 29.720 9.240 875 HD23 LEU 157 HD23 LEU 157 -9.456 30.427 8.535 876 H LEU 158 HN LEU 158 -8.688 30.442 3.617 877 HA LEU 158 HA LEU 158 -6.401 30.660 1.858 878 HB2 LEU 158 HB2 LEU 158 -9.298 30.049 1.243 879 HB3 LEU 158 HB1 LEU 158 -7.953 29.888 0.119 880 HG LEU 158 HG LEU 158 -8.224 28.415 2.737 881 HD11 LEU 158 HD11 LEU 158 -8.068 26.731 0.409 882 HD12 LEU 158 HD12 LEU 158 -9.386 27.890 0.205 883 HD13 LEU 158 HD13 LEU 158 -9.354 26.829 1.613 884 HD21 LEU 158 HD21 LEU 158 -5.915 28.638 2.361 885 HD22 LEU 158 HD22 LEU 158 -6.098 28.512 0.611 886 HD23 LEU 158 HD23 LEU 158 -6.296 27.081 1.624 887 H GLY 159 HN GLY 159 -8.639 32.822 3.109 888 HA2 GLY 159 HA2 GLY 159 -9.094 35.026 2.617 889 HA3 GLY 159 HA1 GLY 159 -7.772 34.964 1.455 890 H ALA 160 HN ALA 160 -10.515 32.784 1.306 891 HA ALA 160 HA ALA 160 -12.216 32.548 -0.227 892 HB1 ALA 160 HB1 ALA 160 -12.164 35.160 -1.460 893 HB2 ALA 160 HB2 ALA 160 -12.095 35.306 0.296 894 HB3 ALA 160 HB3 ALA 160 -13.420 34.425 -0.463 895 H ARG 161 HN ARG 161 -9.476 31.983 -0.927 896 HA ARG 161 HA ARG 161 -8.820 32.945 -3.513 897 HB2 ARG 161 HB2 ARG 161 -7.801 30.988 -1.635 898 HB3 ARG 161 HB1 ARG 161 -7.739 30.372 -3.286 899 HG2 ARG 161 HG2 ARG 161 -6.563 32.404 -4.014 900 HG3 ARG 161 HG1 ARG 161 -6.651 33.054 -2.376 901 HD2 ARG 161 HD2 ARG 161 -4.765 31.961 -1.859 902 HD3 ARG 161 HD1 ARG 161 -5.576 30.437 -2.178 903 HE ARG 161 HE ARG 161 -4.837 30.680 -4.532 904 HH11 ARG 161 HH11 ARG 161 -3.266 32.560 -2.057 905 HH12 ARG 161 HH12 ARG 161 -1.812 32.767 -2.964 906 HH21 ARG 161 HH21 ARG 161 -2.921 30.965 -5.700 907 HH22 ARG 161 HH22 ARG 161 -1.614 31.871 -5.015 908 H ALA 162 HN ALA 162 -10.446 32.809 -4.988 909 HA ALA 162 HA ALA 162 -11.249 30.091 -5.799 910 HB1 ALA 162 HB1 ALA 162 -12.984 31.668 -4.448 911 HB2 ALA 162 HB2 ALA 162 -13.482 30.506 -5.678 912 HB3 ALA 162 HB3 ALA 162 -13.295 32.209 -6.098 913 H LYS 163 HN LYS 163 -12.517 30.327 -7.995 914 HA LYS 163 HA LYS 163 -10.930 32.145 -9.709 915 HB2 LYS 163 HB2 LYS 163 -11.501 29.286 -9.876 916 HB3 LYS 163 HB1 LYS 163 -11.908 30.148 -11.361 917 HG2 LYS 163 HG2 LYS 163 -9.677 29.819 -11.789 918 HG3 LYS 163 HG1 LYS 163 -9.529 31.299 -10.840 919 HD2 LYS 163 HD2 LYS 163 -9.203 29.934 -8.793 920 HD3 LYS 163 HD1 LYS 163 -9.288 28.471 -9.774 921 HE2 LYS 163 HE2 LYS 163 -7.313 30.658 -10.411 922 HE3 LYS 163 HE1 LYS 163 -6.937 29.406 -9.226 923 HZ1 LYS 163 HZ1 LYS 163 -6.251 28.966 -11.602 924 HZ2 LYS 163 HZ2 LYS 163 -7.901 28.761 -11.948 925 HZ3 LYS 163 HZ3 LYS 163 -7.130 27.736 -10.833 926 H GLY 164 HN GLY 164 -12.198 33.832 -10.199 927 HA2 GLY 164 HA2 GLY 164 -15.067 33.461 -10.629 928 HA3 GLY 164 HA1 GLY 164 -14.216 35.000 -10.537 929 H HIS 165 HN HIS 165 -15.691 35.314 -12.485 930 HA HIS 165 HA HIS 165 -15.931 35.600 -14.750 931 HB2 HIS 165 HB2 HIS 165 -13.242 36.021 -14.150 932 HB3 HIS 165 HB1 HIS 165 -13.209 34.919 -15.526 933 HD2 HIS 165 HD2 HIS 165 -16.266 36.597 -16.438 934 HE1 HIS 165 HE1 HIS 165 -13.377 39.467 -17.555 935 HE2 HIS 165 HE2 HIS 165 -15.804 38.765 -17.818 936 H HIS 166 HN HIS 166 -17.191 33.981 -15.494 937 HA HIS 166 HA HIS 166 -17.788 32.032 -16.554 938 HB2 HIS 166 HB2 HIS 166 -14.830 31.956 -17.197 939 HB3 HIS 166 HB1 HIS 166 -16.053 30.920 -17.934 940 HD2 HIS 166 HD2 HIS 166 -18.033 33.943 -17.850 941 HE1 HIS 166 HE1 HIS 166 -15.522 34.659 -21.167 942 HE2 HIS 166 HE2 HIS 166 -17.643 35.397 -19.983 943 H HIS 167 HN HIS 167 -17.109 32.006 -13.742 944 HA HIS 167 HA HIS 167 -15.639 29.595 -13.176 945 HB2 HIS 167 HB2 HIS 167 -16.362 29.980 -10.857 946 HB3 HIS 167 HB1 HIS 167 -15.708 31.455 -11.570 947 HD2 HIS 167 HD2 HIS 167 -17.643 33.490 -12.092 948 HE1 HIS 167 HE1 HIS 167 -20.845 31.527 -10.162 949 HE2 HIS 167 HE2 HIS 167 -20.089 33.715 -11.206 950 H HIS 168 HN HIS 168 -16.704 27.862 -11.797 951 HA HIS 168 HA HIS 168 -19.518 27.378 -12.318 952 HB2 HIS 168 HB2 HIS 168 -19.170 25.273 -13.506 953 HB3 HIS 168 HB1 HIS 168 -18.431 26.599 -14.406 954 HD2 HIS 168 HD2 HIS 168 -15.600 26.518 -14.537 955 HE1 HIS 168 HE1 HIS 168 -15.152 22.865 -12.465 956 HE2 HIS 168 HE2 HIS 168 -13.940 24.626 -13.836 957 H HIS 169 HN HIS 169 -20.281 25.407 -11.238 958 HA HIS 169 HA HIS 169 -18.529 24.068 -9.376 959 HB2 HIS 169 HB2 HIS 169 -19.676 24.818 -7.345 960 HB3 HIS 169 HB1 HIS 169 -18.941 26.188 -8.181 961 HD2 HIS 169 HD2 HIS 169 -20.762 28.102 -9.135 962 HE1 HIS 169 HE1 HIS 169 -24.277 26.087 -7.952 963 HE2 HIS 169 HE2 HIS 169 -23.356 28.259 -8.893 964 H HIS 170 HN HIS 170 -19.805 22.535 -7.970 965 HA HIS 170 HA HIS 170 -22.499 21.892 -8.585 966 HB2 HIS 170 HB2 HIS 170 -21.915 19.668 -9.731 967 HB3 HIS 170 HB1 HIS 170 -21.813 21.132 -10.712 968 HD2 HIS 170 HD2 HIS 170 -19.248 21.738 -11.652 969 HE1 HIS 170 HE1 HIS 170 -17.204 18.648 -9.630 970 HE2 HIS 170 HE2 HIS 170 -16.971 20.495 -11.356 971 H17 V8Y 201 H17 A7 201 -15.411 26.164 17.242 972 H21 V8Y 201 H21 A7 201 -15.599 23.033 18.886 973 H3 V8Y 201 H3 A7 201 -15.634 20.567 19.129 974 H4 V8Y 201 H4 A7 201 -13.689 19.208 18.359 975 H6 V8Y 201 H6 A7 201 -9.414 20.267 16.294 976 H7 V8Y 201 H7 A7 201 -9.419 22.741 16.071 977 H8 V8Y 201 H8 A7 201 -11.374 24.057 16.849 978 H11 V8Y 201 H11 A7 201 -15.251 25.663 19.845 979 H8L V8Y 201 H8L A7 201 -16.584 24.625 19.324 980 H12 V8Y 201 H12 A7 201 -17.548 26.642 18.107 981 H8M V8Y 201 H8M A7 201 -16.279 27.621 18.883 982 H13 V8Y 201 H13 A7 201 -17.731 25.918 20.787 983 H8O V8Y 201 H8O A7 201 -18.786 27.079 19.907 984 H14 V8Y 201 H14 A7 201 -17.540 28.946 20.686 985 H8N V8Y 201 H8N A7 201 -16.247 27.868 21.326 986 H15 V8Y 201 H15 A7 201 -17.837 26.995 23.001 987 H8P V8Y 201 H8P A7 201 -19.065 28.141 22.395 988 H16 V8Y 201 H16 A7 201 -18.226 29.782 23.681 989 H8Q V8Y 201 H8Q A7 201 -16.624 29.568 22.938 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -4.805 7.117 19.477 2 H2 MET 1 HT2 MET 1 -3.447 6.789 18.510 3 H3 MET 1 HT3 MET 1 -4.897 5.941 18.259 4 HA MET 1 HA MET 1 -5.428 8.694 18.079 5 HB2 MET 1 HB2 MET 1 -2.959 8.754 17.554 6 HB3 MET 1 HB1 MET 1 -3.289 7.711 16.172 7 HG2 MET 1 HG2 MET 1 -4.818 9.381 15.239 8 HG3 MET 1 HG1 MET 1 -4.573 10.417 16.645 9 HE1 MET 1 HE1 MET 1 -4.059 11.349 13.520 10 HE2 MET 1 HE2 MET 1 -2.768 12.458 13.978 11 HE3 MET 1 HE3 MET 1 -4.164 12.255 15.036 12 H ASP 2 HN ASP 2 -7.216 8.736 16.858 13 HA ASP 2 HA ASP 2 -8.543 6.576 15.859 14 HB2 ASP 2 HB2 ASP 2 -8.883 9.358 15.752 15 HB3 ASP 2 HB1 ASP 2 -8.952 8.804 14.083 16 H ASP 3 HN ASP 3 -7.433 5.042 14.705 17 HA ASP 3 HA ASP 3 -5.549 5.547 12.664 18 HB2 ASP 3 HB2 ASP 3 -7.335 3.187 13.130 19 HB3 ASP 3 HB1 ASP 3 -5.992 3.201 11.999 20 H ILE 4 HN ILE 4 -9.059 5.024 12.559 21 HA ILE 4 HA ILE 4 -9.389 4.897 9.787 22 HB ILE 4 HB ILE 4 -11.201 4.439 11.381 23 HG12 ILE 4 HG12 ILE 4 -11.502 5.405 8.941 24 HG13 ILE 4 HG11 ILE 4 -12.903 5.223 10.001 25 HG21 ILE 4 HG21 ILE 4 -10.633 6.207 13.004 26 HG22 ILE 4 HG22 ILE 4 -12.330 6.292 12.526 27 HG23 ILE 4 HG23 ILE 4 -11.162 7.428 11.848 28 HD11 ILE 4 HD11 ILE 4 -13.132 7.485 10.315 29 HD12 ILE 4 HD12 ILE 4 -12.340 7.537 8.738 30 HD13 ILE 4 HD13 ILE 4 -11.398 7.776 10.209 31 H TYR 5 HN TYR 5 -9.350 7.724 11.948 32 HA TYR 5 HA TYR 5 -9.692 9.636 9.859 33 HB2 TYR 5 HB2 TYR 5 -8.573 9.919 12.646 34 HB3 TYR 5 HB1 TYR 5 -8.938 11.273 11.583 35 HD1 TYR 5 HD1 TYR 5 -10.255 10.967 14.253 36 HD2 TYR 5 HD2 TYR 5 -11.370 9.454 10.399 37 HE1 TYR 5 HE1 TYR 5 -12.614 10.894 14.957 38 HE2 TYR 5 HE2 TYR 5 -13.741 9.377 11.111 39 HH TYR 5 HH TYR 5 -14.760 10.695 14.223 40 H LYS 6 HN LYS 6 -6.936 8.072 11.354 41 HA LYS 6 HA LYS 6 -4.879 9.705 10.400 42 HB2 LYS 6 HB2 LYS 6 -4.522 7.874 12.032 43 HB3 LYS 6 HB1 LYS 6 -4.887 6.676 10.785 44 HG2 LYS 6 HG2 LYS 6 -2.573 6.737 10.592 45 HG3 LYS 6 HG1 LYS 6 -2.985 8.036 9.471 46 HD2 LYS 6 HD2 LYS 6 -2.425 8.512 12.409 47 HD3 LYS 6 HD1 LYS 6 -1.181 8.616 11.164 48 HE2 LYS 6 HE2 LYS 6 -2.900 10.226 9.977 49 HE3 LYS 6 HE1 LYS 6 -3.572 10.390 11.600 50 HZ1 LYS 6 HZ1 LYS 6 -0.699 10.774 10.978 51 HZ2 LYS 6 HZ2 LYS 6 -1.505 11.150 12.424 52 HZ3 LYS 6 HZ3 LYS 6 -1.822 12.043 11.015 53 H ALA 7 HN ALA 7 -6.469 6.903 8.924 54 HA ALA 7 HA ALA 7 -5.023 6.935 6.488 55 HB1 ALA 7 HB1 ALA 7 -7.885 6.008 6.845 56 HB2 ALA 7 HB2 ALA 7 -6.496 5.056 7.371 57 HB3 ALA 7 HB3 ALA 7 -6.701 5.448 5.662 58 H ALA 8 HN ALA 8 -7.882 8.615 7.656 59 HA ALA 8 HA ALA 8 -8.864 9.684 5.269 60 HB1 ALA 8 HB1 ALA 8 -9.220 11.729 7.108 61 HB2 ALA 8 HB2 ALA 8 -9.066 10.312 8.148 62 HB3 ALA 8 HB3 ALA 8 -10.312 10.358 6.897 63 H VAL 9 HN VAL 9 -6.263 10.800 7.404 64 HA VAL 9 HA VAL 9 -5.718 13.225 6.054 65 HB VAL 9 HB VAL 9 -3.926 11.418 7.701 66 HG11 VAL 9 HG11 VAL 9 -3.490 14.243 6.672 67 HG12 VAL 9 HG12 VAL 9 -2.545 12.811 6.259 68 HG13 VAL 9 HG13 VAL 9 -2.488 13.461 7.898 69 HG21 VAL 9 HG21 VAL 9 -5.870 13.581 8.271 70 HG22 VAL 9 HG22 VAL 9 -4.356 13.645 9.176 71 HG23 VAL 9 HG23 VAL 9 -5.384 12.213 9.268 72 H GLU 10 HN GLU 10 -4.334 9.959 5.762 73 HA GLU 10 HA GLU 10 -2.581 10.650 3.594 74 HB2 GLU 10 HB2 GLU 10 -3.530 7.998 4.684 75 HB3 GLU 10 HB1 GLU 10 -2.396 8.144 3.336 76 HG2 GLU 10 HG2 GLU 10 -0.876 9.462 4.747 77 HG3 GLU 10 HG1 GLU 10 -2.008 9.326 6.091 78 H GLN 11 HN GLN 11 -5.899 9.774 3.855 79 HA GLN 11 HA GLN 11 -6.280 8.794 1.203 80 HB2 GLN 11 HB2 GLN 11 -8.126 9.801 3.344 81 HB3 GLN 11 HB1 GLN 11 -8.734 9.400 1.745 82 HG2 GLN 11 HG2 GLN 11 -7.123 7.513 3.487 83 HG3 GLN 11 HG1 GLN 11 -8.882 7.489 3.351 84 HE21 GLN 11 HE21 GLN 11 -6.538 5.611 2.365 85 HE22 GLN 11 HE22 GLN 11 -6.985 5.285 0.760 86 H LEU 12 HN LEU 12 -6.423 11.972 2.708 87 HA LEU 12 HA LEU 12 -7.678 13.383 0.646 88 HB2 LEU 12 HB2 LEU 12 -5.480 14.339 2.498 89 HB3 LEU 12 HB1 LEU 12 -6.560 15.377 1.569 90 HG LEU 12 HG LEU 12 -7.265 13.518 3.846 91 HD11 LEU 12 HD11 LEU 12 -6.480 15.955 4.153 92 HD12 LEU 12 HD12 LEU 12 -7.961 15.447 4.967 93 HD13 LEU 12 HD13 LEU 12 -8.050 16.390 3.479 94 HD21 LEU 12 HD21 LEU 12 -9.064 13.066 2.439 95 HD22 LEU 12 HD22 LEU 12 -8.942 14.623 1.616 96 HD23 LEU 12 HD23 LEU 12 -9.649 14.529 3.230 97 H THR 13 HN THR 13 -7.095 13.842 -1.371 98 HA THR 13 HA THR 13 -4.670 12.931 -2.521 99 HB THR 13 HB THR 13 -6.558 13.141 -3.960 100 HG1 THR 13 HG1 THR 13 -4.746 13.704 -5.060 101 HG21 THR 13 HG21 THR 13 -8.066 14.663 -3.194 102 HG22 THR 13 HG22 THR 13 -7.227 15.753 -4.299 103 HG23 THR 13 HG23 THR 13 -6.810 15.740 -2.585 104 H GLU 14 HN GLU 14 -3.331 14.558 -3.907 105 HA GLU 14 HA GLU 14 -1.820 16.133 -2.135 106 HB2 GLU 14 HB2 GLU 14 -2.001 16.076 -5.140 107 HB3 GLU 14 HB1 GLU 14 -0.851 17.088 -4.267 108 HG2 GLU 14 HG2 GLU 14 -1.072 14.098 -3.859 109 HG3 GLU 14 HG1 GLU 14 0.060 14.839 -4.990 110 H GLU 15 HN GLU 15 -4.325 17.024 -4.497 111 HA GLU 15 HA GLU 15 -4.109 19.836 -4.014 112 HB2 GLU 15 HB2 GLU 15 -5.083 18.775 -6.080 113 HB3 GLU 15 HB1 GLU 15 -6.488 18.335 -5.105 114 HG2 GLU 15 HG2 GLU 15 -6.925 20.668 -4.591 115 HG3 GLU 15 HG1 GLU 15 -5.461 21.163 -5.439 116 H GLN 16 HN GLN 16 -6.433 17.347 -2.949 117 HA GLN 16 HA GLN 16 -8.063 19.051 -1.429 118 HB2 GLN 16 HB2 GLN 16 -8.587 16.667 -2.108 119 HB3 GLN 16 HB1 GLN 16 -7.501 16.135 -0.823 120 HG2 GLN 16 HG2 GLN 16 -8.857 17.289 0.847 121 HG3 GLN 16 HG1 GLN 16 -9.916 17.917 -0.415 122 HE21 GLN 16 HE21 GLN 16 -9.030 14.848 -1.407 123 HE22 GLN 16 HE22 GLN 16 -10.338 13.973 -0.771 124 H LYS 17 HN LYS 17 -5.218 17.132 -0.530 125 HA LYS 17 HA LYS 17 -5.265 17.836 2.227 126 HB2 LYS 17 HB2 LYS 17 -3.979 15.917 0.954 127 HB3 LYS 17 HB1 LYS 17 -2.717 17.141 0.810 128 HG2 LYS 17 HG2 LYS 17 -2.833 17.494 3.280 129 HG3 LYS 17 HG1 LYS 17 -3.997 16.170 3.391 130 HD2 LYS 17 HD2 LYS 17 -1.178 15.941 2.282 131 HD3 LYS 17 HD1 LYS 17 -1.694 15.393 3.878 132 HE2 LYS 17 HE2 LYS 17 -3.364 13.893 2.769 133 HE3 LYS 17 HE1 LYS 17 -2.702 14.371 1.206 134 HZ1 LYS 17 HZ1 LYS 17 -0.825 13.193 1.529 135 HZ2 LYS 17 HZ2 LYS 17 -1.828 12.274 2.546 136 HZ3 LYS 17 HZ3 LYS 17 -0.797 13.452 3.204 137 H ASN 18 HN ASN 18 -3.910 19.282 -0.673 138 HA ASN 18 HA ASN 18 -2.112 21.091 0.518 139 HB2 ASN 18 HB2 ASN 18 -2.344 20.569 -1.964 140 HB3 ASN 18 HB1 ASN 18 -3.777 21.595 -1.959 141 HD21 ASN 18 HD21 ASN 18 -0.244 21.647 -1.434 142 HD22 ASN 18 HD22 ASN 18 -0.076 23.321 -1.654 143 H GLU 19 HN GLU 19 -5.580 21.388 -0.277 144 HA GLU 19 HA GLU 19 -5.904 24.074 0.527 145 HB2 GLU 19 HB2 GLU 19 -7.765 21.727 0.316 146 HB3 GLU 19 HB1 GLU 19 -8.344 23.277 0.914 147 HG2 GLU 19 HG2 GLU 19 -7.714 24.354 -1.131 148 HG3 GLU 19 HG1 GLU 19 -6.893 22.911 -1.709 149 H PHE 20 HN PHE 20 -6.232 21.015 2.306 150 HA PHE 20 HA PHE 20 -6.980 22.227 4.773 151 HB2 PHE 20 HB2 PHE 20 -5.773 19.534 4.099 152 HB3 PHE 20 HB1 PHE 20 -6.218 19.990 5.741 153 HD1 PHE 20 HD1 PHE 20 -7.350 18.103 3.173 154 HD2 PHE 20 HD2 PHE 20 -8.679 21.394 5.589 155 HE1 PHE 20 HE1 PHE 20 -9.706 17.501 2.693 156 HE2 PHE 20 HE2 PHE 20 -11.037 20.792 5.114 157 HZ PHE 20 HZ PHE 20 -11.550 18.844 3.667 158 H LYS 21 HN LYS 21 -3.896 21.351 3.317 159 HA LYS 21 HA LYS 21 -2.242 21.772 5.548 160 HB2 LYS 21 HB2 LYS 21 -1.486 20.687 3.452 161 HB3 LYS 21 HB1 LYS 21 -1.599 22.240 2.622 162 HG2 LYS 21 HG2 LYS 21 0.716 21.861 3.307 163 HG3 LYS 21 HG1 LYS 21 0.039 23.187 4.255 164 HD2 LYS 21 HD2 LYS 21 -0.369 21.710 6.135 165 HD3 LYS 21 HD1 LYS 21 0.120 20.308 5.179 166 HE2 LYS 21 HE2 LYS 21 2.399 21.227 4.976 167 HE3 LYS 21 HE1 LYS 21 1.916 22.647 5.905 168 HZ1 LYS 21 HZ1 LYS 21 1.206 20.291 7.293 169 HZ2 LYS 21 HZ2 LYS 21 2.249 21.543 7.777 170 HZ3 LYS 21 HZ3 LYS 21 2.850 20.230 6.883 171 H ALA 22 HN ALA 22 -3.483 23.992 3.086 172 HA ALA 22 HA ALA 22 -2.005 26.273 3.797 173 HB1 ALA 22 HB1 ALA 22 -3.395 26.080 1.747 174 HB2 ALA 22 HB2 ALA 22 -3.772 27.536 2.670 175 HB3 ALA 22 HB3 ALA 22 -4.845 26.137 2.750 176 H ALA 23 HN ALA 23 -5.097 24.998 4.991 177 HA ALA 23 HA ALA 23 -5.703 27.137 6.748 178 HB1 ALA 23 HB1 ALA 23 -6.454 24.212 6.792 179 HB2 ALA 23 HB2 ALA 23 -7.431 25.572 6.240 180 HB3 ALA 23 HB3 ALA 23 -7.076 25.381 7.957 181 H PHE 24 HN PHE 24 -3.812 24.173 7.164 182 HA PHE 24 HA PHE 24 -3.388 24.315 9.919 183 HB2 PHE 24 HB2 PHE 24 -2.684 22.325 8.950 184 HB3 PHE 24 HB1 PHE 24 -1.830 23.143 7.644 185 HD1 PHE 24 HD1 PHE 24 -1.741 22.652 11.378 186 HD2 PHE 24 HD2 PHE 24 0.465 23.568 7.805 187 HE1 PHE 24 HE1 PHE 24 0.362 22.590 12.665 188 HE2 PHE 24 HE2 PHE 24 2.576 23.497 9.101 189 HZ PHE 24 HZ PHE 24 2.524 23.009 11.533 190 H ASP 25 HN ASP 25 -1.430 25.643 7.254 191 HA ASP 25 HA ASP 25 0.546 26.856 8.873 192 HB2 ASP 25 HB2 ASP 25 0.753 26.417 6.419 193 HB3 ASP 25 HB1 ASP 25 -0.370 27.745 6.135 194 H ILE 26 HN ILE 26 -2.526 28.035 7.569 195 HA ILE 26 HA ILE 26 -2.282 30.734 8.262 196 HB ILE 26 HB ILE 26 -4.551 28.867 7.767 197 HG12 ILE 26 HG12 ILE 26 -4.795 31.438 6.573 198 HG13 ILE 26 HG11 ILE 26 -3.110 30.944 6.417 199 HG21 ILE 26 HG21 ILE 26 -5.773 29.901 9.401 200 HG22 ILE 26 HG22 ILE 26 -5.904 31.186 8.199 201 HG23 ILE 26 HG23 ILE 26 -4.689 31.289 9.474 202 HD11 ILE 26 HD11 ILE 26 -5.312 30.063 4.871 203 HD12 ILE 26 HD12 ILE 26 -4.829 28.696 5.877 204 HD13 ILE 26 HD13 ILE 26 -3.652 29.467 4.814 205 H PHE 27 HN PHE 27 -3.504 27.983 10.151 206 HA PHE 27 HA PHE 27 -4.310 29.444 12.414 207 HB2 PHE 27 HB2 PHE 27 -3.556 26.592 11.907 208 HB3 PHE 27 HB1 PHE 27 -3.759 27.150 13.562 209 HD1 PHE 27 HD1 PHE 27 -5.475 27.231 10.261 210 HD2 PHE 27 HD2 PHE 27 -5.868 27.205 14.511 211 HE1 PHE 27 HE1 PHE 27 -7.925 27.060 10.021 212 HE2 PHE 27 HE2 PHE 27 -8.333 27.047 14.294 213 HZ PHE 27 HZ PHE 27 -9.367 26.975 12.038 214 H VAL 28 HN VAL 28 -1.216 27.916 11.588 215 HA VAL 28 HA VAL 28 0.003 29.140 13.974 216 HB VAL 28 HB VAL 28 1.917 27.622 13.480 217 HG11 VAL 28 HG11 VAL 28 -0.868 26.691 14.019 218 HG12 VAL 28 HG12 VAL 28 0.549 26.653 15.065 219 HG13 VAL 28 HG13 VAL 28 0.373 25.464 13.775 220 HG21 VAL 28 HG21 VAL 28 2.050 26.528 11.516 221 HG22 VAL 28 HG22 VAL 28 0.644 27.451 10.981 222 HG23 VAL 28 HG23 VAL 28 0.428 25.863 11.720 223 H LEU 29 HN LEU 29 -0.722 30.577 11.466 224 HA LEU 29 HA LEU 29 1.502 31.098 9.854 225 HB2 LEU 29 HB2 LEU 29 -1.020 31.926 9.750 226 HB3 LEU 29 HB1 LEU 29 -0.346 33.335 10.562 227 HG LEU 29 HG LEU 29 1.397 32.560 8.415 228 HD11 LEU 29 HD11 LEU 29 -1.503 32.381 7.882 229 HD12 LEU 29 HD12 LEU 29 -0.144 31.756 6.946 230 HD13 LEU 29 HD13 LEU 29 -0.625 33.444 6.781 231 HD21 LEU 29 HD21 LEU 29 -0.138 34.915 9.382 232 HD22 LEU 29 HD22 LEU 29 0.343 34.942 7.685 233 HD23 LEU 29 HD23 LEU 29 1.566 34.788 8.948 234 H GLY 30 HN GLY 30 3.453 31.526 10.710 235 HA2 GLY 30 HA2 GLY 30 5.040 33.083 11.498 236 HA3 GLY 30 HA1 GLY 30 3.747 33.961 12.306 237 H ALA 31 HN ALA 31 3.296 30.736 12.925 238 HA ALA 31 HA ALA 31 3.922 30.949 15.675 239 HB1 ALA 31 HB1 ALA 31 3.239 28.687 15.849 240 HB2 ALA 31 HB2 ALA 31 3.686 28.341 14.179 241 HB3 ALA 31 HB3 ALA 31 2.276 29.341 14.523 242 H GLU 32 HN GLU 32 5.697 30.429 16.832 243 HA GLU 32 HA GLU 32 8.215 30.322 15.583 244 HB2 GLU 32 HB2 GLU 32 7.862 31.110 17.897 245 HB3 GLU 32 HB1 GLU 32 7.477 29.460 18.388 246 HG2 GLU 32 HG2 GLU 32 9.715 28.714 17.683 247 HG3 GLU 32 HG1 GLU 32 10.104 30.353 17.167 248 H ASP 33 HN ASP 33 6.229 27.764 17.051 249 HA ASP 33 HA ASP 33 8.143 25.729 16.178 250 HB2 ASP 33 HB2 ASP 33 7.112 25.624 18.446 251 HB3 ASP 33 HB1 ASP 33 5.541 25.395 17.681 252 H GLY 34 HN GLY 34 5.140 27.140 15.225 253 HA2 GLY 34 HA2 GLY 34 4.120 26.891 13.122 254 HA3 GLY 34 HA1 GLY 34 5.071 25.434 12.857 255 H SER 35 HN SER 35 4.048 24.934 15.846 256 HA SER 35 HA SER 35 1.912 23.171 15.013 257 HB2 SER 35 HB2 SER 35 1.975 22.312 17.241 258 HB3 SER 35 HB1 SER 35 3.639 22.581 16.748 259 HG SER 35 HG SER 35 3.564 23.576 18.657 260 H ILE 36 HN ILE 36 -0.247 23.402 15.365 261 HA ILE 36 HA ILE 36 -1.229 26.044 15.909 262 HB ILE 36 HB ILE 36 -2.640 23.402 15.540 263 HG12 ILE 36 HG12 ILE 36 -2.436 25.769 13.669 264 HG13 ILE 36 HG11 ILE 36 -1.344 24.385 13.598 265 HG21 ILE 36 HG21 ILE 36 -4.106 24.819 16.814 266 HG22 ILE 36 HG22 ILE 36 -4.650 24.881 15.137 267 HG23 ILE 36 HG23 ILE 36 -3.715 26.216 15.809 268 HD11 ILE 36 HD11 ILE 36 -3.880 24.604 12.386 269 HD12 ILE 36 HD12 ILE 36 -4.095 23.484 13.736 270 HD13 ILE 36 HD13 ILE 36 -2.879 23.156 12.501 271 H SER 37 HN SER 37 -1.068 26.790 17.943 272 HA SER 37 HA SER 37 -1.830 25.022 20.174 273 HB2 SER 37 HB2 SER 37 -0.503 26.313 21.565 274 HB3 SER 37 HB1 SER 37 0.369 26.493 20.044 275 HG SER 37 HG SER 37 -0.634 28.395 21.514 276 H THR 38 HN THR 38 -2.692 26.737 22.050 277 HA THR 38 HA THR 38 -5.353 27.286 21.306 278 HB THR 38 HB THR 38 -5.350 28.638 23.459 279 HG1 THR 38 HG1 THR 38 -3.279 29.209 23.745 280 HG21 THR 38 HG21 THR 38 -6.122 26.422 23.574 281 HG22 THR 38 HG22 THR 38 -4.902 26.510 24.843 282 HG23 THR 38 HG23 THR 38 -4.522 25.741 23.300 283 H LYS 39 HN LYS 39 -2.464 29.323 21.426 284 HA LYS 39 HA LYS 39 -3.843 31.770 20.924 285 HB2 LYS 39 HB2 LYS 39 -0.959 30.930 20.624 286 HB3 LYS 39 HB1 LYS 39 -1.516 32.564 20.255 287 HG2 LYS 39 HG2 LYS 39 -2.598 32.450 22.638 288 HG3 LYS 39 HG1 LYS 39 -1.448 31.140 22.902 289 HD2 LYS 39 HD2 LYS 39 -0.640 33.867 21.862 290 HD3 LYS 39 HD1 LYS 39 -0.597 33.430 23.571 291 HE2 LYS 39 HE2 LYS 39 0.829 31.851 21.417 292 HE3 LYS 39 HE1 LYS 39 1.602 33.132 22.351 293 HZ1 LYS 39 HZ1 LYS 39 2.089 31.422 23.709 294 HZ2 LYS 39 HZ2 LYS 39 0.791 30.464 23.173 295 HZ3 LYS 39 HZ3 LYS 39 0.526 31.705 24.303 296 H GLU 40 HN GLU 40 -1.992 29.547 18.841 297 HA GLU 40 HA GLU 40 -2.476 30.944 16.418 298 HB2 GLU 40 HB2 GLU 40 -1.691 28.110 17.063 299 HB3 GLU 40 HB1 GLU 40 -1.932 28.639 15.404 300 HG2 GLU 40 HG2 GLU 40 0.381 28.955 15.794 301 HG3 GLU 40 HG1 GLU 40 -0.319 30.560 15.969 302 H LEU 41 HN LEU 41 -4.149 28.273 18.026 303 HA LEU 41 HA LEU 41 -6.074 27.807 16.015 304 HB2 LEU 41 HB2 LEU 41 -5.504 26.289 17.966 305 HB3 LEU 41 HB1 LEU 41 -6.486 27.357 18.971 306 HG LEU 41 HG LEU 41 -7.988 26.808 16.615 307 HD11 LEU 41 HD11 LEU 41 -7.874 24.545 16.249 308 HD12 LEU 41 HD12 LEU 41 -7.455 24.190 17.925 309 HD13 LEU 41 HD13 LEU 41 -6.219 24.776 16.812 310 HD21 LEU 41 HD21 LEU 41 -9.105 27.250 18.638 311 HD22 LEU 41 HD22 LEU 41 -8.143 26.072 19.532 312 HD23 LEU 41 HD23 LEU 41 -9.374 25.525 18.393 313 H GLY 42 HN GLY 42 -6.175 29.757 18.983 314 HA2 GLY 42 HA2 GLY 42 -8.799 30.735 18.620 315 HA3 GLY 42 HA1 GLY 42 -7.555 31.502 19.601 316 H LYS 43 HN LYS 43 -5.646 31.885 17.468 317 HA LYS 43 HA LYS 43 -6.276 34.409 16.539 318 HB2 LYS 43 HB2 LYS 43 -4.035 33.771 16.334 319 HB3 LYS 43 HB1 LYS 43 -4.435 32.269 15.505 320 HG2 LYS 43 HG2 LYS 43 -5.491 34.433 13.964 321 HG3 LYS 43 HG1 LYS 43 -3.813 34.809 14.354 322 HD2 LYS 43 HD2 LYS 43 -4.480 32.037 13.438 323 HD3 LYS 43 HD1 LYS 43 -4.399 33.328 12.238 324 HE2 LYS 43 HE2 LYS 43 -2.146 33.803 13.752 325 HE3 LYS 43 HE1 LYS 43 -2.231 32.041 13.747 326 HZ1 LYS 43 HZ1 LYS 43 -2.808 32.711 11.185 327 HZ2 LYS 43 HZ2 LYS 43 -1.295 32.186 11.752 328 HZ3 LYS 43 HZ3 LYS 43 -1.621 33.846 11.606 329 H VAL 44 HN VAL 44 -6.306 31.460 14.515 330 HA VAL 44 HA VAL 44 -7.785 32.599 12.375 331 HB VAL 44 HB VAL 44 -7.278 29.764 13.287 332 HG11 VAL 44 HG11 VAL 44 -9.381 29.469 12.354 333 HG12 VAL 44 HG12 VAL 44 -8.320 29.250 10.961 334 HG13 VAL 44 HG13 VAL 44 -9.172 30.781 11.194 335 HG21 VAL 44 HG21 VAL 44 -5.875 29.671 11.362 336 HG22 VAL 44 HG22 VAL 44 -5.545 31.242 12.092 337 HG23 VAL 44 HG23 VAL 44 -6.590 31.131 10.678 338 H MET 45 HN MET 45 -8.779 30.997 15.353 339 HA MET 45 HA MET 45 -11.486 30.599 14.792 340 HB2 MET 45 HB2 MET 45 -10.020 31.306 17.337 341 HB3 MET 45 HB1 MET 45 -11.739 30.942 17.319 342 HG2 MET 45 HG2 MET 45 -9.704 29.066 16.134 343 HG3 MET 45 HG1 MET 45 -10.149 28.997 17.842 344 HE1 MET 45 HE1 MET 45 -13.565 27.761 18.092 345 HE2 MET 45 HE2 MET 45 -13.310 29.504 18.016 346 HE3 MET 45 HE3 MET 45 -12.107 28.477 18.799 347 H ARG 46 HN ARG 46 -9.752 33.499 15.861 348 HA ARG 46 HA ARG 46 -12.057 35.148 16.173 349 HB2 ARG 46 HB2 ARG 46 -9.145 35.819 15.712 350 HB3 ARG 46 HB1 ARG 46 -10.391 37.033 15.995 351 HG2 ARG 46 HG2 ARG 46 -10.968 35.583 18.093 352 HG3 ARG 46 HG1 ARG 46 -9.344 34.932 17.870 353 HD2 ARG 46 HD2 ARG 46 -10.194 37.690 18.611 354 HD3 ARG 46 HD1 ARG 46 -8.864 36.723 19.228 355 HE ARG 46 HE ARG 46 -7.667 37.227 17.136 356 HH11 ARG 46 HH11 ARG 46 -10.457 39.122 17.970 357 HH12 ARG 46 HH12 ARG 46 -9.987 40.477 17.004 358 HH21 ARG 46 HH21 ARG 46 -7.063 39.010 15.867 359 HH22 ARG 46 HH22 ARG 46 -8.075 40.414 15.817 360 H MET 47 HN MET 47 -10.005 34.264 13.493 361 HA MET 47 HA MET 47 -10.795 36.230 11.647 362 HB2 MET 47 HB2 MET 47 -9.906 33.368 11.253 363 HB3 MET 47 HB1 MET 47 -10.185 34.474 9.917 364 HG2 MET 47 HG2 MET 47 -8.619 36.063 11.347 365 HG3 MET 47 HG1 MET 47 -8.054 34.525 11.996 366 HE1 MET 47 HE1 MET 47 -6.751 32.514 9.256 367 HE2 MET 47 HE2 MET 47 -8.475 32.664 8.934 368 HE3 MET 47 HE3 MET 47 -7.906 32.566 10.593 369 H LEU 48 HN LEU 48 -12.292 33.193 12.600 370 HA LEU 48 HA LEU 48 -14.424 33.433 10.640 371 HB2 LEU 48 HB2 LEU 48 -14.064 31.511 12.946 372 HB3 LEU 48 HB1 LEU 48 -15.314 31.399 11.711 373 HG LEU 48 HG LEU 48 -13.584 29.934 10.992 374 HD11 LEU 48 HD11 LEU 48 -12.746 31.014 8.942 375 HD12 LEU 48 HD12 LEU 48 -13.168 32.596 9.598 376 HD13 LEU 48 HD13 LEU 48 -14.439 31.434 9.215 377 HD21 LEU 48 HD21 LEU 48 -11.539 32.126 11.195 378 HD22 LEU 48 HD22 LEU 48 -11.290 30.381 11.116 379 HD23 LEU 48 HD23 LEU 48 -11.916 31.118 12.592 380 H GLY 49 HN GLY 49 -13.752 34.877 13.555 381 HA2 GLY 49 HA2 GLY 49 -15.243 36.536 14.448 382 HA3 GLY 49 HA1 GLY 49 -16.600 35.525 13.961 383 H GLN 50 HN GLN 50 -14.080 33.712 15.282 384 HA GLN 50 HA GLN 50 -15.636 33.232 17.710 385 HB2 GLN 50 HB2 GLN 50 -13.096 31.877 16.833 386 HB3 GLN 50 HB1 GLN 50 -14.282 31.298 18.002 387 HG2 GLN 50 HG2 GLN 50 -14.772 31.711 15.028 388 HG3 GLN 50 HG1 GLN 50 -14.597 30.153 15.834 389 HE21 GLN 50 HE21 GLN 50 -16.344 29.514 17.366 390 HE22 GLN 50 HE22 GLN 50 -17.882 30.217 17.235 391 H ASN 51 HN ASN 51 -14.969 33.705 19.764 392 HA ASN 51 HA ASN 51 -12.319 34.972 20.018 393 HB2 ASN 51 HB2 ASN 51 -13.325 36.530 21.680 394 HB3 ASN 51 HB1 ASN 51 -14.015 36.712 20.067 395 HD21 ASN 51 HD21 ASN 51 -16.056 37.552 20.988 396 HD22 ASN 51 HD22 ASN 51 -17.146 36.503 21.757 397 HA PRO 52 HA PRO 52 -13.067 31.656 23.224 398 HB2 PRO 52 HB2 PRO 52 -11.334 29.782 22.309 399 HB3 PRO 52 HB1 PRO 52 -13.008 29.892 21.737 400 HG2 PRO 52 HG2 PRO 52 -10.493 30.756 20.426 401 HG3 PRO 52 HG1 PRO 52 -11.970 30.082 19.719 402 HD2 PRO 52 HD2 PRO 52 -11.303 32.780 19.726 403 HD3 PRO 52 HD1 PRO 52 -12.933 32.137 19.492 404 H THR 53 HN THR 53 -11.712 31.225 24.993 405 HA THR 53 HA THR 53 -9.291 32.863 25.123 406 HB THR 53 HB THR 53 -9.369 32.273 27.549 407 HG1 THR 53 HG1 THR 53 -11.920 31.221 27.077 408 HG21 THR 53 HG21 THR 53 -10.891 33.928 27.960 409 HG22 THR 53 HG22 THR 53 -12.118 33.210 26.916 410 HG23 THR 53 HG23 THR 53 -10.786 34.127 26.212 411 HA PRO 54 HA PRO 54 -6.280 29.734 24.663 412 HB2 PRO 54 HB2 PRO 54 -5.149 30.615 27.281 413 HB3 PRO 54 HB1 PRO 54 -4.365 30.490 25.694 414 HG2 PRO 54 HG2 PRO 54 -5.034 32.833 26.692 415 HG3 PRO 54 HG1 PRO 54 -5.208 32.502 24.964 416 HD2 PRO 54 HD2 PRO 54 -7.313 32.649 27.092 417 HD3 PRO 54 HD1 PRO 54 -7.391 33.154 25.389 418 H GLU 55 HN GLU 55 -7.571 30.052 27.975 419 HA GLU 55 HA GLU 55 -6.867 27.485 28.906 420 HB2 GLU 55 HB2 GLU 55 -8.974 29.488 29.678 421 HB3 GLU 55 HB1 GLU 55 -8.907 27.907 30.456 422 HG2 GLU 55 HG2 GLU 55 -7.019 28.406 31.593 423 HG3 GLU 55 HG1 GLU 55 -6.308 29.284 30.241 424 H GLU 56 HN GLU 56 -9.910 28.669 27.467 425 HA GLU 56 HA GLU 56 -11.164 26.103 27.445 426 HB2 GLU 56 HB2 GLU 56 -11.753 28.674 25.983 427 HB3 GLU 56 HB1 GLU 56 -12.754 27.230 25.834 428 HG2 GLU 56 HG2 GLU 56 -12.113 28.677 28.423 429 HG3 GLU 56 HG1 GLU 56 -13.652 28.741 27.564 430 H LEU 57 HN LEU 57 -9.295 27.969 25.111 431 HA LEU 57 HA LEU 57 -9.677 26.351 22.847 432 HB2 LEU 57 HB2 LEU 57 -7.534 28.249 23.698 433 HB3 LEU 57 HB1 LEU 57 -7.328 27.284 22.242 434 HG LEU 57 HG LEU 57 -9.807 28.921 22.774 435 HD11 LEU 57 HD11 LEU 57 -8.474 30.207 20.780 436 HD12 LEU 57 HD12 LEU 57 -7.139 29.706 21.830 437 HD13 LEU 57 HD13 LEU 57 -8.445 30.706 22.475 438 HD21 LEU 57 HD21 LEU 57 -9.086 26.983 20.862 439 HD22 LEU 57 HD22 LEU 57 -9.015 28.540 20.034 440 HD23 LEU 57 HD23 LEU 57 -10.508 28.028 20.830 441 H GLN 58 HN GLN 58 -7.658 25.966 25.661 442 HA GLN 58 HA GLN 58 -5.768 24.142 24.686 443 HB2 GLN 58 HB2 GLN 58 -5.795 25.280 26.966 444 HB3 GLN 58 HB1 GLN 58 -6.992 24.079 27.455 445 HG2 GLN 58 HG2 GLN 58 -5.353 22.303 26.703 446 HG3 GLN 58 HG1 GLN 58 -4.158 23.582 26.537 447 HE21 GLN 58 HE21 GLN 58 -4.187 21.298 28.511 448 HE22 GLN 58 HE22 GLN 58 -4.126 22.035 30.040 449 H GLU 59 HN GLU 59 -9.058 23.634 25.933 450 HA GLU 59 HA GLU 59 -8.987 20.805 25.945 451 HB2 GLU 59 HB2 GLU 59 -10.730 22.050 27.119 452 HB3 GLU 59 HB1 GLU 59 -11.326 22.700 25.591 453 HG2 GLU 59 HG2 GLU 59 -12.700 20.793 26.298 454 HG3 GLU 59 HG1 GLU 59 -11.824 20.405 24.818 455 H MET 60 HN MET 60 -10.126 23.106 23.531 456 HA MET 60 HA MET 60 -10.925 21.222 21.581 457 HB2 MET 60 HB2 MET 60 -9.999 23.553 20.237 458 HB3 MET 60 HB1 MET 60 -11.663 23.109 20.608 459 HG2 MET 60 HG2 MET 60 -9.854 24.463 22.619 460 HG3 MET 60 HG1 MET 60 -10.900 25.367 21.521 461 HE1 MET 60 HE1 MET 60 -12.510 26.229 22.021 462 HE2 MET 60 HE2 MET 60 -13.105 26.282 23.678 463 HE3 MET 60 HE3 MET 60 -14.044 25.455 22.439 464 H ILE 61 HN ILE 61 -7.846 22.808 22.238 465 HA ILE 61 HA ILE 61 -6.439 21.943 19.946 466 HB ILE 61 HB ILE 61 -5.509 22.603 22.740 467 HG12 ILE 61 HG12 ILE 61 -6.591 24.380 21.243 468 HG13 ILE 61 HG11 ILE 61 -4.965 24.748 21.814 469 HG21 ILE 61 HG21 ILE 61 -3.357 22.956 21.110 470 HG22 ILE 61 HG22 ILE 61 -4.096 21.526 20.379 471 HG23 ILE 61 HG23 ILE 61 -3.633 21.511 22.084 472 HD11 ILE 61 HD11 ILE 61 -5.072 25.254 19.456 473 HD12 ILE 61 HD12 ILE 61 -5.732 23.654 19.102 474 HD13 ILE 61 HD13 ILE 61 -4.071 23.817 19.672 475 H ASP 62 HN ASP 62 -6.793 20.516 23.185 476 HA ASP 62 HA ASP 62 -5.145 18.264 22.738 477 HB2 ASP 62 HB2 ASP 62 -5.746 18.965 24.972 478 HB3 ASP 62 HB1 ASP 62 -7.446 18.643 24.644 479 H GLU 63 HN GLU 63 -8.380 19.011 21.788 480 HA GLU 63 HA GLU 63 -9.558 16.511 21.544 481 HB2 GLU 63 HB2 GLU 63 -10.599 18.767 21.037 482 HB3 GLU 63 HB1 GLU 63 -9.798 18.696 19.472 483 HG2 GLU 63 HG2 GLU 63 -12.059 17.847 19.232 484 HG3 GLU 63 HG1 GLU 63 -10.923 16.511 19.044 485 H VAL 64 HN VAL 64 -7.315 18.139 19.326 486 HA VAL 64 HA VAL 64 -7.097 15.611 17.803 487 HB VAL 64 HB VAL 64 -6.064 17.276 16.050 488 HG11 VAL 64 HG11 VAL 64 -8.496 17.781 15.312 489 HG12 VAL 64 HG12 VAL 64 -8.980 16.882 16.751 490 HG13 VAL 64 HG13 VAL 64 -8.044 16.084 15.479 491 HG21 VAL 64 HG21 VAL 64 -7.799 19.060 17.788 492 HG22 VAL 64 HG22 VAL 64 -7.188 19.498 16.192 493 HG23 VAL 64 HG23 VAL 64 -6.065 19.232 17.526 494 H ASP 65 HN ASP 65 -5.565 17.467 20.070 495 HA ASP 65 HA ASP 65 -2.857 17.086 19.073 496 HB2 ASP 65 HB2 ASP 65 -3.521 19.138 20.336 497 HB3 ASP 65 HB1 ASP 65 -3.745 18.123 21.757 498 H GLU 66 HN GLU 66 -2.711 14.817 18.994 499 HA GLU 66 HA GLU 66 -3.268 13.151 21.248 500 HB2 GLU 66 HB2 GLU 66 -3.272 12.330 18.910 501 HB3 GLU 66 HB1 GLU 66 -1.524 12.553 18.866 502 HG2 GLU 66 HG2 GLU 66 -1.365 11.037 20.877 503 HG3 GLU 66 HG1 GLU 66 -3.084 10.700 20.677 504 H ASP 67 HN ASP 67 -0.514 14.986 20.182 505 HA ASP 67 HA ASP 67 1.439 13.575 21.736 506 HB2 ASP 67 HB2 ASP 67 1.499 16.356 20.537 507 HB3 ASP 67 HB1 ASP 67 2.893 15.504 21.203 508 H GLY 68 HN GLY 68 -1.030 15.732 22.541 509 HA2 GLY 68 HA2 GLY 68 -1.605 16.765 24.512 510 HA3 GLY 68 HA1 GLY 68 -0.400 15.743 25.290 511 H SER 69 HN SER 69 0.617 17.763 22.690 512 HA SER 69 HA SER 69 2.319 19.281 24.492 513 HB2 SER 69 HB2 SER 69 3.127 20.276 22.276 514 HB3 SER 69 HB1 SER 69 3.420 18.555 22.525 515 HG SER 69 HG SER 69 1.442 18.203 21.349 516 H GLY 70 HN GLY 70 -0.792 19.590 23.569 517 HA2 GLY 70 HA2 GLY 70 -2.283 21.336 23.795 518 HA3 GLY 70 HA1 GLY 70 -0.944 22.345 24.341 519 H THR 71 HN THR 71 -0.389 20.734 21.391 520 HA THR 71 HA THR 71 -1.317 23.020 19.783 521 HB THR 71 HB THR 71 0.946 22.849 18.568 522 HG1 THR 71 HG1 THR 71 2.003 22.030 20.984 523 HG21 THR 71 HG21 THR 71 0.077 24.326 20.838 524 HG22 THR 71 HG22 THR 71 1.253 24.803 19.613 525 HG23 THR 71 HG23 THR 71 1.786 23.953 21.063 526 H VAL 72 HN VAL 72 -2.334 22.353 18.021 527 HA VAL 72 HA VAL 72 -2.193 19.546 17.251 528 HB VAL 72 HB VAL 72 -4.411 19.936 17.046 529 HG11 VAL 72 HG11 VAL 72 -4.053 22.117 18.250 530 HG12 VAL 72 HG12 VAL 72 -5.409 22.135 17.122 531 HG13 VAL 72 HG13 VAL 72 -3.883 22.894 16.678 532 HG21 VAL 72 HG21 VAL 72 -3.800 21.728 14.698 533 HG22 VAL 72 HG22 VAL 72 -5.114 20.565 14.879 534 HG23 VAL 72 HG23 VAL 72 -3.461 19.999 14.637 535 H ASP 73 HN ASP 73 -0.544 19.062 15.935 536 HA ASP 73 HA ASP 73 0.581 20.959 14.082 537 HB2 ASP 73 HB2 ASP 73 2.011 19.101 13.393 538 HB3 ASP 73 HB1 ASP 73 1.929 19.170 15.152 539 H PHE 74 HN PHE 74 1.045 19.575 11.795 540 HA PHE 74 HA PHE 74 -1.241 20.073 10.279 541 HB2 PHE 74 HB2 PHE 74 0.809 20.021 9.116 542 HB3 PHE 74 HB1 PHE 74 1.223 18.428 9.749 543 HD1 PHE 74 HD1 PHE 74 -2.164 19.333 8.556 544 HD2 PHE 74 HD2 PHE 74 1.529 17.341 7.605 545 HE1 PHE 74 HE1 PHE 74 -3.248 18.245 6.597 546 HE2 PHE 74 HE2 PHE 74 0.448 16.267 5.651 547 HZ PHE 74 HZ PHE 74 -1.937 16.719 5.148 548 H ASP 75 HN ASP 75 0.068 16.929 11.351 549 HA ASP 75 HA ASP 75 -2.011 15.362 10.259 550 HB2 ASP 75 HB2 ASP 75 -0.112 14.877 12.544 551 HB3 ASP 75 HB1 ASP 75 -1.253 13.668 11.964 552 H GLU 76 HN GLU 76 -1.599 16.841 13.457 553 HA GLU 76 HA GLU 76 -3.914 15.717 14.642 554 HB2 GLU 76 HB2 GLU 76 -2.350 18.243 15.242 555 HB3 GLU 76 HB1 GLU 76 -3.668 17.650 16.253 556 HG2 GLU 76 HG2 GLU 76 -2.494 15.707 16.864 557 HG3 GLU 76 HG1 GLU 76 -1.379 15.841 15.506 558 H PHE 77 HN PHE 77 -3.344 18.772 12.919 559 HA PHE 77 HA PHE 77 -5.994 19.751 13.260 560 HB2 PHE 77 HB2 PHE 77 -5.057 21.612 12.397 561 HB3 PHE 77 HB1 PHE 77 -3.560 20.712 12.160 562 HD1 PHE 77 HD1 PHE 77 -6.788 21.639 10.581 563 HD2 PHE 77 HD2 PHE 77 -2.871 20.004 9.992 564 HE1 PHE 77 HE1 PHE 77 -7.111 21.723 8.130 565 HE2 PHE 77 HE2 PHE 77 -3.196 20.106 7.540 566 HZ PHE 77 HZ PHE 77 -5.314 20.971 6.615 567 H LEU 78 HN LEU 78 -4.350 17.879 10.756 568 HA LEU 78 HA LEU 78 -6.394 17.894 8.828 569 HB2 LEU 78 HB2 LEU 78 -3.886 16.934 8.856 570 HB3 LEU 78 HB1 LEU 78 -4.763 15.432 9.146 571 HG LEU 78 HG LEU 78 -4.456 15.790 6.733 572 HD11 LEU 78 HD11 LEU 78 -7.299 16.451 6.969 573 HD12 LEU 78 HD12 LEU 78 -6.767 15.118 7.998 574 HD13 LEU 78 HD13 LEU 78 -6.520 15.041 6.250 575 HD21 LEU 78 HD21 LEU 78 -6.331 18.006 6.514 576 HD22 LEU 78 HD22 LEU 78 -4.761 17.777 5.743 577 HD23 LEU 78 HD23 LEU 78 -4.854 18.458 7.369 578 H VAL 79 HN VAL 79 -5.821 15.898 11.669 579 HA VAL 79 HA VAL 79 -7.827 13.959 11.229 580 HB VAL 79 HB VAL 79 -6.513 15.017 13.711 581 HG11 VAL 79 HG11 VAL 79 -8.613 12.848 13.462 582 HG12 VAL 79 HG12 VAL 79 -8.775 14.367 14.346 583 HG13 VAL 79 HG13 VAL 79 -7.636 13.142 14.902 584 HG21 VAL 79 HG21 VAL 79 -6.046 12.322 13.514 585 HG22 VAL 79 HG22 VAL 79 -4.969 13.557 12.857 586 HG23 VAL 79 HG23 VAL 79 -6.158 12.776 11.813 587 H MET 80 HN MET 80 -7.874 17.122 12.839 588 HA MET 80 HA MET 80 -10.479 17.014 13.831 589 HB2 MET 80 HB2 MET 80 -10.162 19.184 14.382 590 HB3 MET 80 HB1 MET 80 -8.514 18.886 13.831 591 HG2 MET 80 HG2 MET 80 -9.054 19.672 11.623 592 HG3 MET 80 HG1 MET 80 -10.747 19.867 12.048 593 HE1 MET 80 HE1 MET 80 -7.069 21.163 12.638 594 HE2 MET 80 HE2 MET 80 -7.614 20.432 14.146 595 HE3 MET 80 HE3 MET 80 -7.317 22.166 14.073 596 H MET 81 HN MET 81 -9.292 17.829 10.616 597 HA MET 81 HA MET 81 -11.734 18.737 9.527 598 HB2 MET 81 HB2 MET 81 -9.303 17.492 8.279 599 HB3 MET 81 HB1 MET 81 -10.666 18.066 7.328 600 HG2 MET 81 HG2 MET 81 -9.143 19.754 9.306 601 HG3 MET 81 HG1 MET 81 -8.853 19.756 7.568 602 HE1 MET 81 HE1 MET 81 -10.270 23.073 8.022 603 HE2 MET 81 HE2 MET 81 -9.028 22.057 8.750 604 HE3 MET 81 HE3 MET 81 -10.449 22.507 9.688 605 H VAL 82 HN VAL 82 -10.230 15.539 9.514 606 HA VAL 82 HA VAL 82 -12.432 14.270 8.185 607 HB VAL 82 HB VAL 82 -10.588 12.956 7.852 608 HG11 VAL 82 HG11 VAL 82 -8.806 13.905 8.898 609 HG12 VAL 82 HG12 VAL 82 -9.071 12.630 10.091 610 HG13 VAL 82 HG13 VAL 82 -9.730 14.241 10.354 611 HG21 VAL 82 HG21 VAL 82 -12.348 11.672 9.240 612 HG22 VAL 82 HG22 VAL 82 -11.229 11.856 10.592 613 HG23 VAL 82 HG23 VAL 82 -10.732 10.971 9.145 614 H ARG 83 HN ARG 83 -11.529 14.841 11.512 615 HA ARG 83 HA ARG 83 -13.275 13.029 12.756 616 HB2 ARG 83 HB2 ARG 83 -12.071 15.645 13.613 617 HB3 ARG 83 HB1 ARG 83 -13.169 14.759 14.667 618 HG2 ARG 83 HG2 ARG 83 -11.668 12.735 14.331 619 HG3 ARG 83 HG1 ARG 83 -10.508 13.818 13.568 620 HD2 ARG 83 HD2 ARG 83 -10.288 15.121 15.571 621 HD3 ARG 83 HD1 ARG 83 -11.646 14.295 16.330 622 HE ARG 83 HE ARG 83 -9.462 12.543 15.574 623 HH11 ARG 83 HH11 ARG 83 -10.847 14.619 17.972 624 HH12 ARG 83 HH12 ARG 83 -10.030 13.863 19.299 625 HH21 ARG 83 HH21 ARG 83 -8.390 11.542 17.311 626 HH22 ARG 83 HH22 ARG 83 -8.640 12.122 18.924 627 H SER 84 HN SER 84 -13.732 16.389 11.721 628 HA SER 84 HA SER 84 -16.426 16.582 12.655 629 HB2 SER 84 HB2 SER 84 -14.878 18.203 10.626 630 HB3 SER 84 HB1 SER 84 -16.506 18.598 11.168 631 HG SER 84 HG SER 84 -15.744 19.170 13.074 632 H MET 85 HN MET 85 -14.911 15.699 9.594 633 HA MET 85 HA MET 85 -17.226 15.640 7.997 634 HB2 MET 85 HB2 MET 85 -14.620 14.117 7.825 635 HB3 MET 85 HB1 MET 85 -15.885 13.994 6.600 636 HG2 MET 85 HG2 MET 85 -15.799 16.515 6.404 637 HG3 MET 85 HG1 MET 85 -14.377 16.484 7.433 638 HE1 MET 85 HE1 MET 85 -11.555 15.738 5.578 639 HE2 MET 85 HE2 MET 85 -12.191 14.270 6.320 640 HE3 MET 85 HE3 MET 85 -12.424 15.825 7.115 641 H LYS 86 HN LYS 86 -15.733 13.178 10.055 642 HA LYS 86 HA LYS 86 -17.670 11.157 9.348 643 HB2 LYS 86 HB2 LYS 86 -15.167 11.247 10.701 644 HB3 LYS 86 HB1 LYS 86 -16.352 10.546 11.804 645 HG2 LYS 86 HG2 LYS 86 -16.169 9.644 8.931 646 HG3 LYS 86 HG1 LYS 86 -15.142 8.939 10.178 647 HD2 LYS 86 HD2 LYS 86 -17.290 8.536 11.515 648 HD3 LYS 86 HD1 LYS 86 -18.161 8.917 10.028 649 HE2 LYS 86 HE2 LYS 86 -16.968 7.119 8.848 650 HE3 LYS 86 HE1 LYS 86 -16.063 6.746 10.316 651 HZ1 LYS 86 HZ1 LYS 86 -18.823 6.807 10.890 652 HZ2 LYS 86 HZ2 LYS 86 -17.733 5.511 11.036 653 HZ3 LYS 86 HZ3 LYS 86 -18.553 5.775 9.571 654 H ASP 87 HN ASP 87 -17.300 13.599 11.812 655 HA ASP 87 HA ASP 87 -18.691 14.326 13.485 656 HB2 ASP 87 HB2 ASP 87 -21.100 12.905 12.763 657 HB3 ASP 87 HB1 ASP 87 -20.768 14.633 12.700 658 H ASP 88 HN ASP 88 -20.685 13.233 14.926 659 HA ASP 88 HA ASP 88 -19.315 11.123 16.365 660 HB2 ASP 88 HB2 ASP 88 -21.049 11.404 18.036 661 HB3 ASP 88 HB1 ASP 88 -20.465 12.992 17.539 662 H SER 89 HN SER 89 -21.327 11.167 13.740 663 HA SER 89 HA SER 89 -23.352 9.415 13.975 664 HB2 SER 89 HB2 SER 89 -22.821 8.576 11.720 665 HB3 SER 89 HB1 SER 89 -22.606 10.322 11.816 666 HG SER 89 HG SER 89 -20.696 9.833 11.051 667 H LYS 90 HN LYS 90 -23.685 7.382 14.626 668 HA LYS 90 HA LYS 90 -21.572 5.390 14.513 669 HB2 LYS 90 HB2 LYS 90 -21.838 6.892 16.848 670 HB3 LYS 90 HB1 LYS 90 -22.699 5.391 17.193 671 HG2 LYS 90 HG2 LYS 90 -20.541 4.334 16.012 672 HG3 LYS 90 HG1 LYS 90 -19.807 5.825 16.600 673 HD2 LYS 90 HD2 LYS 90 -19.504 4.477 18.452 674 HD3 LYS 90 HD1 LYS 90 -21.081 5.169 18.835 675 HE2 LYS 90 HE2 LYS 90 -22.188 3.198 17.832 676 HE3 LYS 90 HE1 LYS 90 -20.609 2.502 17.468 677 HZ1 LYS 90 HZ1 LYS 90 -21.394 1.571 19.500 678 HZ2 LYS 90 HZ2 LYS 90 -21.718 3.104 20.153 679 HZ3 LYS 90 HZ3 LYS 90 -20.114 2.620 19.875 680 H GLY 136 HN GLY 136 -22.952 4.218 13.175 681 HA2 GLY 136 HA2 GLY 136 -24.366 2.322 13.080 682 HA3 GLY 136 HA1 GLY 136 -25.129 2.844 14.579 683 H LYS 137 HN LYS 137 -27.225 3.122 14.108 684 HA LYS 137 HA LYS 137 -27.984 4.437 11.593 685 HB2 LYS 137 HB2 LYS 137 -30.336 3.793 12.840 686 HB3 LYS 137 HB1 LYS 137 -29.492 2.751 11.694 687 HG2 LYS 137 HG2 LYS 137 -28.350 1.598 13.499 688 HG3 LYS 137 HG1 LYS 137 -29.010 2.721 14.685 689 HD2 LYS 137 HD2 LYS 137 -30.681 1.216 14.936 690 HD3 LYS 137 HD1 LYS 137 -31.274 1.811 13.384 691 HE2 LYS 137 HE2 LYS 137 -31.104 -0.444 12.896 692 HE3 LYS 137 HE1 LYS 137 -29.483 0.082 12.439 693 HZ1 LYS 137 HZ1 LYS 137 -28.901 -0.417 14.861 694 HZ2 LYS 137 HZ2 LYS 137 -29.114 -1.734 13.807 695 HZ3 LYS 137 HZ3 LYS 137 -30.345 -1.305 14.897 696 H PHE 138 HN PHE 138 -29.874 4.557 14.538 697 HA PHE 138 HA PHE 138 -29.644 7.505 14.500 698 HB2 PHE 138 HB2 PHE 138 -31.896 6.760 13.988 699 HB3 PHE 138 HB1 PHE 138 -31.917 5.732 15.421 700 HD1 PHE 138 HD1 PHE 138 -31.848 9.245 14.224 701 HD2 PHE 138 HD2 PHE 138 -32.290 6.641 17.612 702 HE1 PHE 138 HE1 PHE 138 -32.633 11.159 15.593 703 HE2 PHE 138 HE2 PHE 138 -33.076 8.553 18.981 704 HZ PHE 138 HZ PHE 138 -33.248 10.812 17.971 705 H LYS 139 HN LYS 139 -28.641 8.405 16.170 706 HA LYS 139 HA LYS 139 -28.321 6.830 18.643 707 HB2 LYS 139 HB2 LYS 139 -26.621 8.807 17.220 708 HB3 LYS 139 HB1 LYS 139 -26.561 8.817 18.984 709 HG2 LYS 139 HG2 LYS 139 -26.463 6.122 18.422 710 HG3 LYS 139 HG1 LYS 139 -25.541 6.813 17.085 711 HD2 LYS 139 HD2 LYS 139 -23.912 6.513 18.759 712 HD3 LYS 139 HD1 LYS 139 -24.350 8.215 18.921 713 HE2 LYS 139 HE2 LYS 139 -25.982 7.586 20.703 714 HE3 LYS 139 HE1 LYS 139 -25.423 5.918 20.585 715 HZ1 LYS 139 HZ1 LYS 139 -23.109 7.165 20.880 716 HZ2 LYS 139 HZ2 LYS 139 -24.030 6.611 22.196 717 HZ3 LYS 139 HZ3 LYS 139 -24.104 8.243 21.733 718 H ARG 140 HN ARG 140 -27.837 8.553 20.543 719 HA ARG 140 HA ARG 140 -30.232 10.286 20.628 720 HB2 ARG 140 HB2 ARG 140 -30.469 9.823 22.895 721 HB3 ARG 140 HB1 ARG 140 -29.902 8.278 22.261 722 HG2 ARG 140 HG2 ARG 140 -27.692 8.642 23.031 723 HG3 ARG 140 HG1 ARG 140 -27.979 10.360 23.301 724 HD2 ARG 140 HD2 ARG 140 -28.005 9.203 25.436 725 HD3 ARG 140 HD1 ARG 140 -29.622 9.788 25.054 726 HE ARG 140 HE ARG 140 -29.324 7.130 24.114 727 HH11 ARG 140 HH11 ARG 140 -29.608 9.005 27.012 728 HH12 ARG 140 HH12 ARG 140 -30.358 7.736 27.922 729 HH21 ARG 140 HH21 ARG 140 -30.307 5.464 25.303 730 HH22 ARG 140 HH22 ARG 140 -30.753 5.732 26.954 731 HA PRO 141 HA PRO 141 -28.015 13.961 21.518 732 HB2 PRO 141 HB2 PRO 141 -28.852 14.046 24.367 733 HB3 PRO 141 HB1 PRO 141 -29.174 15.202 23.064 734 HG2 PRO 141 HG2 PRO 141 -31.088 13.620 24.014 735 HG3 PRO 141 HG1 PRO 141 -30.995 14.037 22.292 736 HD2 PRO 141 HD2 PRO 141 -30.194 11.492 23.658 737 HD3 PRO 141 HD1 PRO 141 -30.983 11.729 22.086 738 H THR 142 HN THR 142 -25.858 13.440 21.424 739 HA THR 142 HA THR 142 -24.342 13.555 23.832 740 HB THR 142 HB THR 142 -24.395 10.890 22.400 741 HG1 THR 142 HG1 THR 142 -25.425 10.169 24.175 742 HG21 THR 142 HG21 THR 142 -23.043 10.750 24.865 743 HG22 THR 142 HG22 THR 142 -22.430 12.197 24.064 744 HG23 THR 142 HG23 THR 142 -22.335 10.633 23.254 745 H LEU 143 HN LEU 143 -22.491 14.543 23.314 746 HA LEU 143 HA LEU 143 -20.652 15.236 22.119 747 HB2 LEU 143 HB2 LEU 143 -21.304 12.857 20.367 748 HB3 LEU 143 HB1 LEU 143 -19.804 13.784 20.334 749 HG LEU 143 HG LEU 143 -20.842 12.414 22.828 750 HD11 LEU 143 HD11 LEU 143 -19.010 10.747 22.322 751 HD12 LEU 143 HD12 LEU 143 -18.893 11.463 20.713 752 HD13 LEU 143 HD13 LEU 143 -20.386 10.676 21.222 753 HD21 LEU 143 HD21 LEU 143 -18.431 12.698 23.499 754 HD22 LEU 143 HD22 LEU 143 -19.279 14.228 23.271 755 HD23 LEU 143 HD23 LEU 143 -18.179 13.634 22.027 756 H ARG 144 HN ARG 144 -22.417 16.955 21.682 757 HA ARG 144 HA ARG 144 -23.647 17.090 19.128 758 HB2 ARG 144 HB2 ARG 144 -23.024 19.135 21.246 759 HB3 ARG 144 HB1 ARG 144 -23.749 19.596 19.705 760 HG2 ARG 144 HG2 ARG 144 -25.639 18.123 20.085 761 HG3 ARG 144 HG1 ARG 144 -24.886 17.473 21.542 762 HD2 ARG 144 HD2 ARG 144 -25.106 19.544 22.702 763 HD3 ARG 144 HD1 ARG 144 -25.512 20.413 21.225 764 HE ARG 144 HE ARG 144 -27.304 18.746 22.811 765 HH11 ARG 144 HH11 ARG 144 -26.626 20.386 19.839 766 HH12 ARG 144 HH12 ARG 144 -28.283 20.477 19.346 767 HH21 ARG 144 HH21 ARG 144 -29.490 18.862 22.166 768 HH22 ARG 144 HH22 ARG 144 -29.902 19.614 20.662 769 H ARG 145 HN ARG 145 -23.078 18.275 17.287 770 HA ARG 145 HA ARG 145 -20.308 18.255 16.631 771 HB2 ARG 145 HB2 ARG 145 -22.838 18.876 15.278 772 HB3 ARG 145 HB1 ARG 145 -21.471 19.833 14.709 773 HG2 ARG 145 HG2 ARG 145 -20.289 17.409 14.833 774 HG3 ARG 145 HG1 ARG 145 -21.948 16.908 14.506 775 HD2 ARG 145 HD2 ARG 145 -20.318 18.872 12.874 776 HD3 ARG 145 HD1 ARG 145 -20.763 17.236 12.396 777 HE ARG 145 HE ARG 145 -22.474 19.576 12.355 778 HH11 ARG 145 HH11 ARG 145 -22.250 16.125 12.454 779 HH12 ARG 145 HH12 ARG 145 -23.823 15.866 11.778 780 HH21 ARG 145 HH21 ARG 145 -24.536 19.245 11.470 781 HH22 ARG 145 HH22 ARG 145 -25.119 17.633 11.221 782 H VAL 146 HN VAL 146 -22.090 21.114 15.768 783 HA VAL 146 HA VAL 146 -21.450 23.333 15.911 784 HB VAL 146 HB VAL 146 -20.848 23.526 18.667 785 HG11 VAL 146 HG11 VAL 146 -22.315 24.935 17.084 786 HG12 VAL 146 HG12 VAL 146 -22.898 24.722 18.736 787 HG13 VAL 146 HG13 VAL 146 -23.592 23.768 17.425 788 HG21 VAL 146 HG21 VAL 146 -21.524 21.230 19.020 789 HG22 VAL 146 HG22 VAL 146 -22.961 21.450 18.021 790 HG23 VAL 146 HG23 VAL 146 -22.841 22.261 19.583 791 H ARG 147 HN ARG 147 -19.290 21.480 15.328 792 HA ARG 147 HA ARG 147 -16.990 22.475 16.813 793 HB2 ARG 147 HB2 ARG 147 -17.447 20.367 14.743 794 HB3 ARG 147 HB1 ARG 147 -15.821 21.014 14.954 795 HG2 ARG 147 HG2 ARG 147 -15.571 19.621 16.706 796 HG3 ARG 147 HG1 ARG 147 -16.789 20.569 17.557 797 HD2 ARG 147 HD2 ARG 147 -18.527 19.131 16.937 798 HD3 ARG 147 HD1 ARG 147 -17.609 18.438 15.604 799 HE ARG 147 HE ARG 147 -16.495 17.042 17.140 800 HH11 ARG 147 HH11 ARG 147 -18.581 19.338 18.672 801 HH12 ARG 147 HH12 ARG 147 -18.532 18.559 20.218 802 HH21 ARG 147 HH21 ARG 147 -16.426 16.013 19.162 803 HH22 ARG 147 HH22 ARG 147 -17.313 16.675 20.495 804 H ILE 148 HN ILE 148 -15.042 23.158 15.465 805 HA ILE 148 HA ILE 148 -15.265 25.585 14.356 806 HB ILE 148 HB ILE 148 -13.102 24.495 14.629 807 HG12 ILE 148 HG12 ILE 148 -12.041 25.253 12.550 808 HG13 ILE 148 HG11 ILE 148 -13.602 25.234 11.727 809 HG21 ILE 148 HG21 ILE 148 -12.838 23.011 12.242 810 HG22 ILE 148 HG22 ILE 148 -14.363 22.497 12.964 811 HG23 ILE 148 HG23 ILE 148 -12.867 22.381 13.889 812 HD11 ILE 148 HD11 ILE 148 -13.509 26.794 14.243 813 HD12 ILE 148 HD12 ILE 148 -14.289 27.176 12.708 814 HD13 ILE 148 HD13 ILE 148 -12.557 27.446 12.908 815 H SER 149 HN SER 149 -16.338 26.485 12.713 816 HA SER 149 HA SER 149 -17.825 24.908 10.846 817 HB2 SER 149 HB2 SER 149 -17.297 27.868 11.114 818 HB3 SER 149 HB1 SER 149 -18.253 27.202 9.792 819 HG SER 149 HG SER 149 -18.726 26.827 12.571 820 H ALA 150 HN ALA 150 -16.276 23.658 9.744 821 HA ALA 150 HA ALA 150 -13.973 24.628 8.474 822 HB1 ALA 150 HB1 ALA 150 -15.716 22.225 8.093 823 HB2 ALA 150 HB2 ALA 150 -14.030 22.319 8.601 824 HB3 ALA 150 HB3 ALA 150 -14.455 22.579 6.910 825 H ASP 151 HN ASP 151 -17.336 24.606 7.471 826 HA ASP 151 HA ASP 151 -17.131 24.989 4.739 827 HB2 ASP 151 HB2 ASP 151 -19.052 26.289 6.676 828 HB3 ASP 151 HB1 ASP 151 -19.264 26.233 4.927 829 H ALA 152 HN ALA 152 -17.110 27.487 7.289 830 HA ALA 152 HA ALA 152 -16.132 29.395 5.273 831 HB1 ALA 152 HB1 ALA 152 -16.784 30.652 7.757 832 HB2 ALA 152 HB2 ALA 152 -18.115 29.601 7.266 833 HB3 ALA 152 HB3 ALA 152 -17.535 30.861 6.175 834 H MET 153 HN MET 153 -15.246 27.639 8.066 835 HA MET 153 HA MET 153 -13.298 29.265 9.251 836 HB2 MET 153 HB2 MET 153 -13.857 27.320 10.449 837 HB3 MET 153 HB1 MET 153 -13.647 26.287 9.038 838 HG2 MET 153 HG2 MET 153 -11.207 27.735 9.651 839 HG3 MET 153 HG1 MET 153 -11.747 26.773 11.028 840 HE1 MET 153 HE1 MET 153 -10.138 25.239 11.270 841 HE2 MET 153 HE2 MET 153 -9.018 25.728 9.999 842 HE3 MET 153 HE3 MET 153 -9.509 24.042 10.128 843 H MET 154 HN MET 154 -13.016 26.920 6.598 844 HA MET 154 HA MET 154 -10.222 27.384 6.204 845 HB2 MET 154 HB2 MET 154 -12.346 26.145 4.458 846 HB3 MET 154 HB1 MET 154 -10.647 26.250 3.993 847 HG2 MET 154 HG2 MET 154 -10.401 25.226 6.500 848 HG3 MET 154 HG1 MET 154 -11.944 24.521 6.016 849 HE1 MET 154 HE1 MET 154 -8.343 24.763 3.422 850 HE2 MET 154 HE2 MET 154 -7.816 24.166 4.994 851 HE3 MET 154 HE3 MET 154 -8.734 25.669 4.893 852 H GLN 155 HN GLN 155 -13.151 28.885 5.043 853 HA GLN 155 HA GLN 155 -12.113 30.236 2.802 854 HB2 GLN 155 HB2 GLN 155 -14.369 30.966 4.678 855 HB3 GLN 155 HB1 GLN 155 -14.021 31.815 3.173 856 HG2 GLN 155 HG2 GLN 155 -14.235 29.637 1.968 857 HG3 GLN 155 HG1 GLN 155 -14.753 28.901 3.484 858 HE21 GLN 155 HE21 GLN 155 -15.951 30.293 0.681 859 HE22 GLN 155 HE22 GLN 155 -17.476 30.770 1.255 860 H ALA 156 HN ALA 156 -12.220 31.085 6.228 861 HA ALA 156 HA ALA 156 -11.293 33.739 6.002 862 HB1 ALA 156 HB1 ALA 156 -12.232 33.100 8.082 863 HB2 ALA 156 HB2 ALA 156 -10.517 33.339 8.410 864 HB3 ALA 156 HB3 ALA 156 -11.162 31.706 8.234 865 H LEU 157 HN LEU 157 -9.674 30.687 5.809 866 HA LEU 157 HA LEU 157 -7.030 31.927 6.089 867 HB2 LEU 157 HB2 LEU 157 -7.005 29.105 5.436 868 HB3 LEU 157 HB1 LEU 157 -6.348 29.935 6.845 869 HG LEU 157 HG LEU 157 -9.272 29.218 6.490 870 HD11 LEU 157 HD11 LEU 157 -8.150 27.172 6.784 871 HD12 LEU 157 HD12 LEU 157 -8.686 27.622 8.404 872 HD13 LEU 157 HD13 LEU 157 -7.003 27.870 7.927 873 HD21 LEU 157 HD21 LEU 157 -9.436 29.817 8.863 874 HD22 LEU 157 HD22 LEU 157 -8.831 31.183 7.932 875 HD23 LEU 157 HD23 LEU 157 -7.718 30.217 8.900 876 H LEU 158 HN LEU 158 -8.783 29.842 3.803 877 HA LEU 158 HA LEU 158 -6.839 30.067 1.736 878 HB2 LEU 158 HB2 LEU 158 -9.743 29.225 1.672 879 HB3 LEU 158 HB1 LEU 158 -8.646 29.108 0.298 880 HG LEU 158 HG LEU 158 -8.178 27.806 2.987 881 HD11 LEU 158 HD11 LEU 158 -9.335 26.007 2.267 882 HD12 LEU 158 HD12 LEU 158 -8.538 26.043 0.692 883 HD13 LEU 158 HD13 LEU 158 -9.968 27.036 0.983 884 HD21 LEU 158 HD21 LEU 158 -6.563 26.503 1.300 885 HD22 LEU 158 HD22 LEU 158 -6.050 27.989 2.102 886 HD23 LEU 158 HD23 LEU 158 -6.635 28.041 0.439 887 H GLY 159 HN GLY 159 -9.831 31.787 2.502 888 HA2 GLY 159 HA2 GLY 159 -10.293 34.022 1.938 889 HA3 GLY 159 HA1 GLY 159 -8.996 33.971 0.750 890 H ALA 160 HN ALA 160 -11.741 31.757 1.163 891 HA ALA 160 HA ALA 160 -13.504 31.230 -0.221 892 HB1 ALA 160 HB1 ALA 160 -14.488 33.204 -0.674 893 HB2 ALA 160 HB2 ALA 160 -13.611 33.160 -2.203 894 HB3 ALA 160 HB3 ALA 160 -12.939 34.031 -0.826 895 H ARG 161 HN ARG 161 -10.938 30.156 -0.701 896 HA ARG 161 HA ARG 161 -10.775 30.073 -3.647 897 HB2 ARG 161 HB2 ARG 161 -8.779 29.161 -1.557 898 HB3 ARG 161 HB1 ARG 161 -8.526 29.110 -3.299 899 HG2 ARG 161 HG2 ARG 161 -8.891 31.590 -3.365 900 HG3 ARG 161 HG1 ARG 161 -8.940 31.579 -1.600 901 HD2 ARG 161 HD2 ARG 161 -6.686 32.102 -2.220 902 HD3 ARG 161 HD1 ARG 161 -6.694 30.438 -1.646 903 HE ARG 161 HE ARG 161 -6.177 29.729 -3.804 904 HH11 ARG 161 HH11 ARG 161 -7.094 33.065 -3.736 905 HH12 ARG 161 HH12 ARG 161 -6.619 33.371 -5.373 906 HH21 ARG 161 HH21 ARG 161 -5.552 30.123 -5.950 907 HH22 ARG 161 HH22 ARG 161 -5.746 31.705 -6.626 908 H ALA 162 HN ALA 162 -11.939 28.360 -0.984 909 HA ALA 162 HA ALA 162 -12.167 25.916 -2.625 910 HB1 ALA 162 HB1 ALA 162 -11.850 25.732 0.356 911 HB2 ALA 162 HB2 ALA 162 -10.425 25.854 -0.675 912 HB3 ALA 162 HB3 ALA 162 -11.545 24.506 -0.876 913 H LYS 163 HN LYS 163 -14.115 27.872 -2.532 914 HA LYS 163 HA LYS 163 -16.052 27.831 -0.592 915 HB2 LYS 163 HB2 LYS 163 -15.940 28.994 -2.968 916 HB3 LYS 163 HB1 LYS 163 -16.937 27.619 -3.440 917 HG2 LYS 163 HG2 LYS 163 -17.753 28.923 -0.920 918 HG3 LYS 163 HG1 LYS 163 -17.932 29.923 -2.363 919 HD2 LYS 163 HD2 LYS 163 -19.048 27.832 -3.417 920 HD3 LYS 163 HD1 LYS 163 -19.201 27.257 -1.757 921 HE2 LYS 163 HE2 LYS 163 -21.226 28.404 -2.106 922 HE3 LYS 163 HE1 LYS 163 -20.227 29.600 -1.279 923 HZ1 LYS 163 HZ1 LYS 163 -19.626 30.528 -3.430 924 HZ2 LYS 163 HZ2 LYS 163 -21.311 30.557 -3.206 925 HZ3 LYS 163 HZ3 LYS 163 -20.605 29.388 -4.217 926 H GLY 164 HN GLY 164 -17.365 26.344 0.262 927 HA2 GLY 164 HA2 GLY 164 -17.420 23.667 -0.946 928 HA3 GLY 164 HA1 GLY 164 -17.881 24.070 0.705 929 H HIS 165 HN HIS 165 -18.989 23.491 -2.448 930 HA HIS 165 HA HIS 165 -21.419 24.943 -2.456 931 HB2 HIS 165 HB2 HIS 165 -20.563 22.409 -3.862 932 HB3 HIS 165 HB1 HIS 165 -22.118 23.193 -4.146 933 HD2 HIS 165 HD2 HIS 165 -20.812 26.339 -4.065 934 HE1 HIS 165 HE1 HIS 165 -18.692 24.965 -7.449 935 HE2 HIS 165 HE2 HIS 165 -19.424 27.031 -6.167 936 H HIS 166 HN HIS 166 -20.555 21.712 -1.294 937 HA HIS 166 HA HIS 166 -23.229 20.961 -0.605 938 HB2 HIS 166 HB2 HIS 166 -21.465 19.293 -1.021 939 HB3 HIS 166 HB1 HIS 166 -20.585 19.873 0.395 940 HD2 HIS 166 HD2 HIS 166 -24.447 19.573 0.802 941 HE1 HIS 166 HE1 HIS 166 -22.704 16.308 2.835 942 HE2 HIS 166 HE2 HIS 166 -24.871 17.569 2.422 943 H HIS 167 HN HIS 167 -24.394 21.567 1.106 944 HA HIS 167 HA HIS 167 -23.058 22.278 3.609 945 HB2 HIS 167 HB2 HIS 167 -23.463 24.350 2.054 946 HB3 HIS 167 HB1 HIS 167 -25.144 24.161 2.558 947 HD2 HIS 167 HD2 HIS 167 -21.873 25.641 3.920 948 HE1 HIS 167 HE1 HIS 167 -24.512 25.394 7.205 949 HE2 HIS 167 HE2 HIS 167 -22.295 26.336 6.400 950 H HIS 168 HN HIS 168 -24.156 20.115 3.910 951 HA HIS 168 HA HIS 168 -25.812 18.865 4.895 952 HB2 HIS 168 HB2 HIS 168 -25.715 20.899 6.458 953 HB3 HIS 168 HB1 HIS 168 -27.163 21.460 5.621 954 HD2 HIS 168 HD2 HIS 168 -26.157 18.827 8.293 955 HE1 HIS 168 HE1 HIS 168 -30.249 18.238 7.441 956 HE2 HIS 168 HE2 HIS 168 -28.348 17.593 8.997 957 H HIS 169 HN HIS 169 -26.049 19.441 2.129 958 HA HIS 169 HA HIS 169 -28.986 19.587 1.810 959 HB2 HIS 169 HB2 HIS 169 -27.866 21.439 0.680 960 HB3 HIS 169 HB1 HIS 169 -26.813 20.308 -0.171 961 HD2 HIS 169 HD2 HIS 169 -30.570 21.488 -0.267 962 HE1 HIS 169 HE1 HIS 169 -29.872 19.003 -3.610 963 HE2 HIS 169 HE2 HIS 169 -31.553 20.549 -2.498 964 H HIS 170 HN HIS 170 -29.977 17.813 1.092 965 HA HIS 170 HA HIS 170 -28.323 15.707 -0.165 966 HB2 HIS 170 HB2 HIS 170 -29.224 15.182 2.136 967 HB3 HIS 170 HB1 HIS 170 -30.844 15.269 1.444 968 HD2 HIS 170 HD2 HIS 170 -27.784 12.845 1.485 969 HE1 HIS 170 HE1 HIS 170 -30.760 11.098 -0.947 970 HE2 HIS 170 HE2 HIS 170 -28.519 10.705 0.182 971 H17 V8Y 201 H17 A7 201 -14.996 24.982 19.324 972 H21 V8Y 201 H21 A7 201 -14.939 23.145 19.226 973 H3 V8Y 201 H3 A7 201 -14.975 20.666 19.295 974 H4 V8Y 201 H4 A7 201 -13.174 19.361 18.198 975 H6 V8Y 201 H6 A7 201 -9.183 20.502 15.700 976 H7 V8Y 201 H7 A7 201 -9.169 22.987 15.646 977 H8 V8Y 201 H8 A7 201 -10.978 24.279 16.745 978 H11 V8Y 201 H11 A7 201 -16.359 24.470 17.701 979 H8L V8Y 201 H8L A7 201 -15.221 25.117 16.514 980 H12 V8Y 201 H12 A7 201 -17.074 26.600 16.395 981 H8M V8Y 201 H8M A7 201 -15.892 27.447 17.422 982 H13 V8Y 201 H13 A7 201 -17.406 25.834 19.178 983 H8O V8Y 201 H8O A7 201 -18.576 26.574 18.028 984 H14 V8Y 201 H14 A7 201 -18.534 28.424 19.258 985 H8N V8Y 201 H8N A7 201 -16.814 28.617 18.760 986 H15 V8Y 201 H15 A7 201 -16.022 27.591 20.738 987 H8P V8Y 201 H8P A7 201 -17.652 27.000 21.166 988 H16 V8Y 201 H16 A7 201 -18.358 29.439 21.346 989 H8Q V8Y 201 H8Q A7 201 -16.639 29.864 21.198 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -3.180 7.532 18.595 2 H2 MET 1 HT2 MET 1 -2.406 9.016 18.884 3 H3 MET 1 HT3 MET 1 -1.896 8.024 17.602 4 HA MET 1 HA MET 1 -4.292 9.712 17.813 5 HB2 MET 1 HB2 MET 1 -2.142 9.187 15.754 6 HB3 MET 1 HB1 MET 1 -3.594 10.122 15.393 7 HG2 MET 1 HG2 MET 1 -3.051 11.710 17.174 8 HG3 MET 1 HG1 MET 1 -1.642 10.751 17.626 9 HE1 MET 1 HE1 MET 1 -2.386 13.391 14.020 10 HE2 MET 1 HE2 MET 1 -3.527 12.681 15.159 11 HE3 MET 1 HE3 MET 1 -2.921 11.716 13.815 12 H ASP 2 HN ASP 2 -6.121 9.278 16.566 13 HA ASP 2 HA ASP 2 -6.878 6.581 16.298 14 HB2 ASP 2 HB2 ASP 2 -8.013 9.189 15.317 15 HB3 ASP 2 HB1 ASP 2 -8.718 7.661 14.786 16 H ASP 3 HN ASP 3 -6.466 5.119 14.759 17 HA ASP 3 HA ASP 3 -4.817 5.733 12.510 18 HB2 ASP 3 HB2 ASP 3 -6.457 3.298 13.116 19 HB3 ASP 3 HB1 ASP 3 -5.226 3.398 11.869 20 H ILE 4 HN ILE 4 -8.289 5.151 12.924 21 HA ILE 4 HA ILE 4 -9.046 5.015 10.246 22 HB ILE 4 HB ILE 4 -10.572 4.597 12.144 23 HG12 ILE 4 HG12 ILE 4 -11.293 5.356 9.761 24 HG13 ILE 4 HG11 ILE 4 -12.504 5.383 11.049 25 HG21 ILE 4 HG21 ILE 4 -10.551 7.603 12.453 26 HG22 ILE 4 HG22 ILE 4 -9.761 6.474 13.550 27 HG23 ILE 4 HG23 ILE 4 -11.518 6.466 13.392 28 HD11 ILE 4 HD11 ILE 4 -11.792 7.531 9.423 29 HD12 ILE 4 HD12 ILE 4 -10.957 7.843 10.941 30 HD13 ILE 4 HD13 ILE 4 -12.704 7.630 10.933 31 H TYR 5 HN TYR 5 -8.692 7.873 12.340 32 HA TYR 5 HA TYR 5 -9.313 9.747 10.277 33 HB2 TYR 5 HB2 TYR 5 -7.843 10.100 12.889 34 HB3 TYR 5 HB1 TYR 5 -8.361 11.424 11.858 35 HD1 TYR 5 HD1 TYR 5 -9.350 11.282 14.635 36 HD2 TYR 5 HD2 TYR 5 -10.882 9.449 11.087 37 HE1 TYR 5 HE1 TYR 5 -11.588 11.186 15.646 38 HE2 TYR 5 HE2 TYR 5 -13.132 9.344 12.119 39 HH TYR 5 HH TYR 5 -14.074 9.305 14.485 40 H LYS 6 HN LYS 6 -6.411 8.164 11.409 41 HA LYS 6 HA LYS 6 -4.476 9.775 10.173 42 HB2 LYS 6 HB2 LYS 6 -3.887 8.004 11.782 43 HB3 LYS 6 HB1 LYS 6 -4.459 6.762 10.660 44 HG2 LYS 6 HG2 LYS 6 -2.184 6.772 10.153 45 HG3 LYS 6 HG1 LYS 6 -2.766 7.974 9.001 46 HD2 LYS 6 HD2 LYS 6 -1.811 8.735 11.768 47 HD3 LYS 6 HD1 LYS 6 -0.715 8.637 10.389 48 HE2 LYS 6 HE2 LYS 6 -2.741 10.124 9.320 49 HE3 LYS 6 HE1 LYS 6 -2.797 10.649 11.002 50 HZ1 LYS 6 HZ1 LYS 6 -1.264 11.968 9.617 51 HZ2 LYS 6 HZ2 LYS 6 -0.330 10.574 9.352 52 HZ3 LYS 6 HZ3 LYS 6 -0.486 11.211 10.920 53 H ALA 7 HN ALA 7 -6.299 6.979 8.993 54 HA ALA 7 HA ALA 7 -5.164 6.889 6.401 55 HB1 ALA 7 HB1 ALA 7 -6.393 5.014 6.414 56 HB2 ALA 7 HB2 ALA 7 -7.839 6.005 6.221 57 HB3 ALA 7 HB3 ALA 7 -7.287 5.557 7.838 58 H ALA 8 HN ALA 8 -7.782 8.725 7.853 59 HA ALA 8 HA ALA 8 -9.006 9.736 5.534 60 HB1 ALA 8 HB1 ALA 8 -8.775 10.619 8.392 61 HB2 ALA 8 HB2 ALA 8 -10.218 10.319 7.419 62 HB3 ALA 8 HB3 ALA 8 -9.312 11.818 7.208 63 H VAL 9 HN VAL 9 -6.196 10.888 7.376 64 HA VAL 9 HA VAL 9 -5.761 13.249 5.884 65 HB VAL 9 HB VAL 9 -3.783 11.521 7.399 66 HG11 VAL 9 HG11 VAL 9 -3.581 14.155 5.989 67 HG12 VAL 9 HG12 VAL 9 -2.366 12.887 6.180 68 HG13 VAL 9 HG13 VAL 9 -2.727 13.974 7.523 69 HG21 VAL 9 HG21 VAL 9 -5.601 13.794 8.155 70 HG22 VAL 9 HG22 VAL 9 -4.120 13.485 9.064 71 HG23 VAL 9 HG23 VAL 9 -5.377 12.248 8.965 72 H GLU 10 HN GLU 10 -4.524 9.945 5.572 73 HA GLU 10 HA GLU 10 -2.869 10.440 3.299 74 HB2 GLU 10 HB2 GLU 10 -2.472 8.504 4.715 75 HB3 GLU 10 HB1 GLU 10 -4.066 7.850 4.320 76 HG2 GLU 10 HG2 GLU 10 -3.417 7.770 1.941 77 HG3 GLU 10 HG1 GLU 10 -1.820 8.385 2.357 78 H GLN 11 HN GLN 11 -6.245 9.879 3.750 79 HA GLN 11 HA GLN 11 -6.842 8.949 1.118 80 HB2 GLN 11 HB2 GLN 11 -8.312 9.714 3.525 81 HB3 GLN 11 HB1 GLN 11 -9.149 10.155 2.044 82 HG2 GLN 11 HG2 GLN 11 -7.926 7.442 2.148 83 HG3 GLN 11 HG1 GLN 11 -9.360 7.710 3.139 84 HE21 GLN 11 HE21 GLN 11 -10.768 6.421 1.774 85 HE22 GLN 11 HE22 GLN 11 -11.203 6.921 0.212 86 H LEU 12 HN LEU 12 -6.648 12.124 2.634 87 HA LEU 12 HA LEU 12 -7.845 13.601 0.537 88 HB2 LEU 12 HB2 LEU 12 -5.673 14.572 2.407 89 HB3 LEU 12 HB1 LEU 12 -6.889 15.546 1.579 90 HG LEU 12 HG LEU 12 -7.325 13.542 3.801 91 HD11 LEU 12 HD11 LEU 12 -6.704 16.118 4.042 92 HD12 LEU 12 HD12 LEU 12 -7.862 15.334 5.118 93 HD13 LEU 12 HD13 LEU 12 -8.436 16.295 3.758 94 HD21 LEU 12 HD21 LEU 12 -9.776 14.698 3.245 95 HD22 LEU 12 HD22 LEU 12 -9.290 13.075 2.756 96 HD23 LEU 12 HD23 LEU 12 -9.105 14.425 1.635 97 H THR 13 HN THR 13 -7.148 13.430 -1.502 98 HA THR 13 HA THR 13 -4.643 12.678 -2.424 99 HB THR 13 HB THR 13 -6.331 12.720 -4.044 100 HG1 THR 13 HG1 THR 13 -5.044 13.572 -5.440 101 HG21 THR 13 HG21 THR 13 -7.839 14.250 -2.813 102 HG22 THR 13 HG22 THR 13 -7.717 14.694 -4.515 103 HG23 THR 13 HG23 THR 13 -6.832 15.608 -3.300 104 H GLU 14 HN GLU 14 -3.358 14.321 -3.945 105 HA GLU 14 HA GLU 14 -1.866 15.959 -2.216 106 HB2 GLU 14 HB2 GLU 14 -2.083 15.861 -5.216 107 HB3 GLU 14 HB1 GLU 14 -0.934 16.895 -4.366 108 HG2 GLU 14 HG2 GLU 14 -1.119 13.887 -4.044 109 HG3 GLU 14 HG1 GLU 14 0.071 14.718 -5.046 110 H GLU 15 HN GLU 15 -4.372 16.788 -4.610 111 HA GLU 15 HA GLU 15 -4.205 19.601 -4.139 112 HB2 GLU 15 HB2 GLU 15 -5.158 18.473 -6.199 113 HB3 GLU 15 HB1 GLU 15 -6.578 18.083 -5.221 114 HG2 GLU 15 HG2 GLU 15 -7.013 20.421 -4.802 115 HG3 GLU 15 HG1 GLU 15 -5.506 20.888 -5.588 116 H GLN 16 HN GLN 16 -6.426 17.067 -3.016 117 HA GLN 16 HA GLN 16 -8.120 18.750 -1.529 118 HB2 GLN 16 HB2 GLN 16 -8.507 16.297 -2.229 119 HB3 GLN 16 HB1 GLN 16 -7.544 15.871 -0.814 120 HG2 GLN 16 HG2 GLN 16 -9.100 16.770 0.682 121 HG3 GLN 16 HG1 GLN 16 -9.845 17.780 -0.552 122 HE21 GLN 16 HE21 GLN 16 -10.813 15.378 1.290 123 HE22 GLN 16 HE22 GLN 16 -11.694 14.427 0.192 124 H LYS 17 HN LYS 17 -5.252 16.871 -0.616 125 HA LYS 17 HA LYS 17 -5.305 17.638 2.133 126 HB2 LYS 17 HB2 LYS 17 -4.061 15.650 0.931 127 HB3 LYS 17 HB1 LYS 17 -2.772 16.839 0.747 128 HG2 LYS 17 HG2 LYS 17 -2.911 17.288 3.211 129 HG3 LYS 17 HG1 LYS 17 -4.068 15.959 3.348 130 HD2 LYS 17 HD2 LYS 17 -1.219 15.747 2.318 131 HD3 LYS 17 HD1 LYS 17 -1.805 15.162 3.875 132 HE2 LYS 17 HE2 LYS 17 -3.452 13.723 2.599 133 HE3 LYS 17 HE1 LYS 17 -2.596 14.172 1.127 134 HZ1 LYS 17 HZ1 LYS 17 -1.220 12.510 1.575 135 HZ2 LYS 17 HZ2 LYS 17 -1.867 12.282 3.130 136 HZ3 LYS 17 HZ3 LYS 17 -0.632 13.422 2.878 137 H ASN 18 HN ASN 18 -3.963 18.980 -0.810 138 HA ASN 18 HA ASN 18 -2.100 20.773 0.304 139 HB2 ASN 18 HB2 ASN 18 -2.365 20.231 -2.155 140 HB3 ASN 18 HB1 ASN 18 -3.806 21.239 -2.160 141 HD21 ASN 18 HD21 ASN 18 -2.782 22.791 -3.630 142 HD22 ASN 18 HD22 ASN 18 -1.574 23.846 -3.072 143 H GLU 19 HN GLU 19 -5.573 21.135 -0.410 144 HA GLU 19 HA GLU 19 -5.798 23.843 0.369 145 HB2 GLU 19 HB2 GLU 19 -7.649 21.589 -0.123 146 HB3 GLU 19 HB1 GLU 19 -8.265 22.865 0.915 147 HG2 GLU 19 HG2 GLU 19 -8.169 24.446 -0.746 148 HG3 GLU 19 HG1 GLU 19 -6.859 23.637 -1.603 149 H PHE 20 HN PHE 20 -6.262 20.805 2.158 150 HA PHE 20 HA PHE 20 -6.978 22.034 4.614 151 HB2 PHE 20 HB2 PHE 20 -5.841 19.319 3.922 152 HB3 PHE 20 HB1 PHE 20 -6.209 19.776 5.582 153 HD1 PHE 20 HD1 PHE 20 -7.487 17.950 3.031 154 HD2 PHE 20 HD2 PHE 20 -8.639 21.229 5.551 155 HE1 PHE 20 HE1 PHE 20 -9.876 17.413 2.637 156 HE2 PHE 20 HE2 PHE 20 -11.028 20.687 5.167 157 HZ PHE 20 HZ PHE 20 -11.648 18.779 3.708 158 H LYS 21 HN LYS 21 -3.888 21.069 3.217 159 HA LYS 21 HA LYS 21 -2.270 21.485 5.475 160 HB2 LYS 21 HB2 LYS 21 -1.589 20.369 3.308 161 HB3 LYS 21 HB1 LYS 21 -1.464 21.980 2.601 162 HG2 LYS 21 HG2 LYS 21 0.738 21.290 3.388 163 HG3 LYS 21 HG1 LYS 21 0.149 22.596 4.417 164 HD2 LYS 21 HD2 LYS 21 -0.417 21.110 6.176 165 HD3 LYS 21 HD1 LYS 21 -0.323 19.703 5.111 166 HE2 LYS 21 HE2 LYS 21 2.095 21.432 5.653 167 HE3 LYS 21 HE1 LYS 21 1.669 20.089 6.713 168 HZ1 LYS 21 HZ1 LYS 21 1.618 18.690 4.646 169 HZ2 LYS 21 HZ2 LYS 21 3.154 19.237 5.118 170 HZ3 LYS 21 HZ3 LYS 21 2.342 19.988 3.830 171 H ALA 22 HN ALA 22 -3.422 23.689 2.956 172 HA ALA 22 HA ALA 22 -1.904 25.951 3.663 173 HB1 ALA 22 HB1 ALA 22 -4.731 25.953 2.585 174 HB2 ALA 22 HB2 ALA 22 -3.307 25.666 1.582 175 HB3 ALA 22 HB3 ALA 22 -3.513 27.218 2.395 176 H ALA 23 HN ALA 23 -5.053 24.765 4.785 177 HA ALA 23 HA ALA 23 -5.683 26.940 6.483 178 HB1 ALA 23 HB1 ALA 23 -6.745 24.643 7.684 179 HB2 ALA 23 HB2 ALA 23 -6.712 24.286 5.957 180 HB3 ALA 23 HB3 ALA 23 -7.555 25.715 6.547 181 H PHE 24 HN PHE 24 -3.830 23.980 6.993 182 HA PHE 24 HA PHE 24 -3.490 24.119 9.753 183 HB2 PHE 24 HB2 PHE 24 -2.742 22.142 8.797 184 HB3 PHE 24 HB1 PHE 24 -1.841 22.969 7.534 185 HD1 PHE 24 HD1 PHE 24 -1.931 22.579 11.278 186 HD2 PHE 24 HD2 PHE 24 0.455 23.281 7.770 187 HE1 PHE 24 HE1 PHE 24 0.124 22.511 12.658 188 HE2 PHE 24 HE2 PHE 24 2.509 23.208 9.155 189 HZ PHE 24 HZ PHE 24 2.343 22.824 11.599 190 H ASP 25 HN ASP 25 -1.469 25.467 7.150 191 HA ASP 25 HA ASP 25 0.465 26.680 8.813 192 HB2 ASP 25 HB2 ASP 25 0.722 26.277 6.361 193 HB3 ASP 25 HB1 ASP 25 -0.417 27.589 6.071 194 H ILE 26 HN ILE 26 -2.605 27.845 7.497 195 HA ILE 26 HA ILE 26 -2.395 30.542 8.189 196 HB ILE 26 HB ILE 26 -4.649 28.643 7.733 197 HG12 ILE 26 HG12 ILE 26 -5.011 31.128 6.473 198 HG13 ILE 26 HG11 ILE 26 -3.279 30.812 6.390 199 HG21 ILE 26 HG21 ILE 26 -4.941 31.382 8.994 200 HG22 ILE 26 HG22 ILE 26 -5.444 29.837 9.678 201 HG23 ILE 26 HG23 ILE 26 -6.264 30.477 8.258 202 HD11 ILE 26 HD11 ILE 26 -5.062 28.517 5.782 203 HD12 ILE 26 HD12 ILE 26 -3.539 28.987 5.030 204 HD13 ILE 26 HD13 ILE 26 -5.033 29.816 4.592 205 H PHE 27 HN PHE 27 -3.620 27.799 10.103 206 HA PHE 27 HA PHE 27 -4.348 29.291 12.379 207 HB2 PHE 27 HB2 PHE 27 -3.695 26.414 11.878 208 HB3 PHE 27 HB1 PHE 27 -3.878 26.994 13.530 209 HD1 PHE 27 HD1 PHE 27 -5.585 26.996 10.231 210 HD2 PHE 27 HD2 PHE 27 -5.993 27.241 14.480 211 HE1 PHE 27 HE1 PHE 27 -8.042 26.882 9.994 212 HE2 PHE 27 HE2 PHE 27 -8.461 27.151 14.257 213 HZ PHE 27 HZ PHE 27 -9.490 26.972 12.007 214 H VAL 28 HN VAL 28 -1.323 27.706 11.462 215 HA VAL 28 HA VAL 28 -0.014 28.858 13.832 216 HB VAL 28 HB VAL 28 1.902 27.363 13.134 217 HG11 VAL 28 HG11 VAL 28 0.478 25.221 13.691 218 HG12 VAL 28 HG12 VAL 28 -0.821 26.389 13.939 219 HG13 VAL 28 HG13 VAL 28 0.651 26.495 14.899 220 HG21 VAL 28 HG21 VAL 28 1.777 26.115 11.246 221 HG22 VAL 28 HG22 VAL 28 0.479 27.212 10.775 222 HG23 VAL 28 HG23 VAL 28 0.096 25.676 11.550 223 H LEU 29 HN LEU 29 -0.823 30.243 11.246 224 HA LEU 29 HA LEU 29 1.358 30.852 9.641 225 HB2 LEU 29 HB2 LEU 29 -1.180 31.666 9.635 226 HB3 LEU 29 HB1 LEU 29 -0.470 33.076 10.417 227 HG LEU 29 HG LEU 29 1.164 32.248 8.185 228 HD11 LEU 29 HD11 LEU 29 -0.557 31.458 6.881 229 HD12 LEU 29 HD12 LEU 29 -0.806 33.179 6.594 230 HD13 LEU 29 HD13 LEU 29 -1.791 32.334 7.788 231 HD21 LEU 29 HD21 LEU 29 -0.510 34.720 8.719 232 HD22 LEU 29 HD22 LEU 29 0.791 34.600 7.535 233 HD23 LEU 29 HD23 LEU 29 1.151 34.477 9.257 234 H GLY 30 HN GLY 30 3.321 31.451 10.295 235 HA2 GLY 30 HA2 GLY 30 4.868 33.045 11.082 236 HA3 GLY 30 HA1 GLY 30 3.595 33.768 12.062 237 H ALA 31 HN ALA 31 3.101 30.680 12.693 238 HA ALA 31 HA ALA 31 4.229 30.732 15.279 239 HB1 ALA 31 HB1 ALA 31 3.537 28.140 13.924 240 HB2 ALA 31 HB2 ALA 31 2.253 29.301 14.277 241 HB3 ALA 31 HB3 ALA 31 3.236 28.646 15.588 242 H GLU 32 HN GLU 32 6.213 30.280 15.974 243 HA GLU 32 HA GLU 32 8.325 29.682 14.199 244 HB2 GLU 32 HB2 GLU 32 8.134 29.587 17.207 245 HB3 GLU 32 HB1 GLU 32 9.633 29.287 16.326 246 HG2 GLU 32 HG2 GLU 32 8.868 31.589 15.135 247 HG3 GLU 32 HG1 GLU 32 8.142 31.826 16.725 248 H ASP 33 HN ASP 33 6.478 27.673 16.456 249 HA ASP 33 HA ASP 33 8.017 25.300 15.839 250 HB2 ASP 33 HB2 ASP 33 6.400 24.166 17.303 251 HB3 ASP 33 HB1 ASP 33 7.053 25.610 18.071 252 H GLY 34 HN GLY 34 5.211 26.887 14.613 253 HA2 GLY 34 HA2 GLY 34 4.022 26.447 12.671 254 HA3 GLY 34 HA1 GLY 34 4.973 24.982 12.458 255 H SER 35 HN SER 35 3.973 24.828 15.551 256 HA SER 35 HA SER 35 1.801 22.996 14.872 257 HB2 SER 35 HB2 SER 35 2.017 22.153 17.093 258 HB3 SER 35 HB1 SER 35 3.651 22.402 16.506 259 HG SER 35 HG SER 35 3.524 23.322 18.523 260 H ILE 36 HN ILE 36 -0.319 23.327 15.362 261 HA ILE 36 HA ILE 36 -1.158 26.008 15.915 262 HB ILE 36 HB ILE 36 -2.692 23.421 15.702 263 HG12 ILE 36 HG12 ILE 36 -2.539 25.743 13.773 264 HG13 ILE 36 HG11 ILE 36 -1.493 24.327 13.660 265 HG21 ILE 36 HG21 ILE 36 -4.345 25.662 15.203 266 HG22 ILE 36 HG22 ILE 36 -3.508 25.978 16.724 267 HG23 ILE 36 HG23 ILE 36 -4.468 24.508 16.533 268 HD11 ILE 36 HD11 ILE 36 -4.102 24.598 12.621 269 HD12 ILE 36 HD12 ILE 36 -4.247 23.502 13.998 270 HD13 ILE 36 HD13 ILE 36 -3.130 23.127 12.684 271 H SER 37 HN SER 37 -0.841 26.813 17.898 272 HA SER 37 HA SER 37 -1.511 25.150 20.237 273 HB2 SER 37 HB2 SER 37 -0.198 26.655 21.548 274 HB3 SER 37 HB1 SER 37 0.737 26.340 20.090 275 HG SER 37 HG SER 37 0.675 28.400 19.777 276 H THR 38 HN THR 38 -2.706 26.230 22.010 277 HA THR 38 HA THR 38 -5.200 27.083 21.342 278 HB THR 38 HB THR 38 -4.987 28.442 23.598 279 HG1 THR 38 HG1 THR 38 -2.989 26.650 24.177 280 HG21 THR 38 HG21 THR 38 -6.230 26.635 24.061 281 HG22 THR 38 HG22 THR 38 -4.733 25.819 24.517 282 HG23 THR 38 HG23 THR 38 -5.369 25.646 22.873 283 H LYS 39 HN LYS 39 -2.303 29.073 21.527 284 HA LYS 39 HA LYS 39 -3.637 31.573 21.195 285 HB2 LYS 39 HB2 LYS 39 -0.853 30.585 21.185 286 HB3 LYS 39 HB1 LYS 39 -1.143 32.026 20.209 287 HG2 LYS 39 HG2 LYS 39 -2.049 31.735 23.088 288 HG3 LYS 39 HG1 LYS 39 -0.539 32.514 22.609 289 HD2 LYS 39 HD2 LYS 39 -1.670 34.424 22.254 290 HD3 LYS 39 HD1 LYS 39 -2.577 33.617 20.972 291 HE2 LYS 39 HE2 LYS 39 -3.614 32.755 23.502 292 HE3 LYS 39 HE1 LYS 39 -3.547 34.518 23.493 293 HZ1 LYS 39 HZ1 LYS 39 -4.959 32.721 21.621 294 HZ2 LYS 39 HZ2 LYS 39 -4.590 34.324 21.195 295 HZ3 LYS 39 HZ3 LYS 39 -5.589 34.006 22.532 296 H GLU 40 HN GLU 40 -1.914 29.408 18.953 297 HA GLU 40 HA GLU 40 -2.477 30.926 16.615 298 HB2 GLU 40 HB2 GLU 40 -1.586 28.104 17.112 299 HB3 GLU 40 HB1 GLU 40 -1.949 28.665 15.486 300 HG2 GLU 40 HG2 GLU 40 0.323 29.152 15.633 301 HG3 GLU 40 HG1 GLU 40 -0.391 30.677 16.151 302 H LEU 41 HN LEU 41 -4.082 28.199 18.192 303 HA LEU 41 HA LEU 41 -5.976 27.611 16.217 304 HB2 LEU 41 HB2 LEU 41 -5.456 26.235 18.279 305 HB3 LEU 41 HB1 LEU 41 -6.412 27.392 19.211 306 HG LEU 41 HG LEU 41 -7.715 26.377 16.753 307 HD11 LEU 41 HD11 LEU 41 -6.390 24.498 18.322 308 HD12 LEU 41 HD12 LEU 41 -7.740 24.170 17.234 309 HD13 LEU 41 HD13 LEU 41 -8.041 24.472 18.946 310 HD21 LEU 41 HD21 LEU 41 -9.147 26.030 19.236 311 HD22 LEU 41 HD22 LEU 41 -9.500 27.131 17.904 312 HD23 LEU 41 HD23 LEU 41 -8.408 27.631 19.195 313 H GLY 42 HN GLY 42 -6.239 29.736 19.074 314 HA2 GLY 42 HA2 GLY 42 -8.859 30.647 18.480 315 HA3 GLY 42 HA1 GLY 42 -7.727 31.447 19.558 316 H LYS 43 HN LYS 43 -5.634 31.777 17.541 317 HA LYS 43 HA LYS 43 -6.123 34.299 16.566 318 HB2 LYS 43 HB2 LYS 43 -3.909 33.514 16.445 319 HB3 LYS 43 HB1 LYS 43 -4.372 32.076 15.535 320 HG2 LYS 43 HG2 LYS 43 -5.216 34.460 14.134 321 HG3 LYS 43 HG1 LYS 43 -3.489 34.541 14.487 322 HD2 LYS 43 HD2 LYS 43 -4.303 31.882 13.588 323 HD3 LYS 43 HD1 LYS 43 -4.658 33.130 12.391 324 HE2 LYS 43 HE2 LYS 43 -1.972 32.898 13.767 325 HE3 LYS 43 HE1 LYS 43 -2.333 32.109 12.230 326 HZ1 LYS 43 HZ1 LYS 43 -1.573 34.060 11.428 327 HZ2 LYS 43 HZ2 LYS 43 -1.966 34.935 12.830 328 HZ3 LYS 43 HZ3 LYS 43 -3.173 34.555 11.696 329 H VAL 44 HN VAL 44 -6.293 31.327 14.581 330 HA VAL 44 HA VAL 44 -7.633 32.547 12.384 331 HB VAL 44 HB VAL 44 -7.376 29.680 13.324 332 HG11 VAL 44 HG11 VAL 44 -8.340 29.144 11.046 333 HG12 VAL 44 HG12 VAL 44 -8.907 30.815 10.979 334 HG13 VAL 44 HG13 VAL 44 -9.495 29.731 12.243 335 HG21 VAL 44 HG21 VAL 44 -5.923 29.489 11.415 336 HG22 VAL 44 HG22 VAL 44 -5.423 30.920 12.317 337 HG23 VAL 44 HG23 VAL 44 -6.375 31.095 10.843 338 H MET 45 HN MET 45 -8.808 30.942 15.311 339 HA MET 45 HA MET 45 -11.514 30.735 14.666 340 HB2 MET 45 HB2 MET 45 -10.112 31.332 17.281 341 HB3 MET 45 HB1 MET 45 -11.837 31.005 17.183 342 HG2 MET 45 HG2 MET 45 -9.733 29.124 16.109 343 HG3 MET 45 HG1 MET 45 -10.401 28.998 17.738 344 HE1 MET 45 HE1 MET 45 -12.517 28.645 18.398 345 HE2 MET 45 HE2 MET 45 -13.854 27.907 17.513 346 HE3 MET 45 HE3 MET 45 -13.596 29.647 17.412 347 H ARG 46 HN ARG 46 -9.672 33.498 15.930 348 HA ARG 46 HA ARG 46 -11.886 35.268 16.174 349 HB2 ARG 46 HB2 ARG 46 -8.924 35.765 15.866 350 HB3 ARG 46 HB1 ARG 46 -10.099 37.062 16.083 351 HG2 ARG 46 HG2 ARG 46 -10.899 35.779 18.159 352 HG3 ARG 46 HG1 ARG 46 -9.428 34.819 17.994 353 HD2 ARG 46 HD2 ARG 46 -9.005 36.662 19.529 354 HD3 ARG 46 HD1 ARG 46 -8.091 36.924 18.045 355 HE ARG 46 HE ARG 46 -10.632 38.194 17.871 356 HH11 ARG 46 HH11 ARG 46 -7.534 38.398 19.396 357 HH12 ARG 46 HH12 ARG 46 -7.575 40.122 19.561 358 HH21 ARG 46 HH21 ARG 46 -10.692 40.457 18.080 359 HH22 ARG 46 HH22 ARG 46 -9.362 41.287 18.817 360 H MET 47 HN MET 47 -9.788 34.341 13.545 361 HA MET 47 HA MET 47 -10.377 36.400 11.732 362 HB2 MET 47 HB2 MET 47 -9.670 33.496 11.284 363 HB3 MET 47 HB1 MET 47 -9.824 34.652 9.974 364 HG2 MET 47 HG2 MET 47 -8.213 36.087 11.533 365 HG3 MET 47 HG1 MET 47 -7.762 34.482 12.107 366 HE1 MET 47 HE1 MET 47 -7.850 32.630 10.580 367 HE2 MET 47 HE2 MET 47 -6.376 32.542 9.621 368 HE3 MET 47 HE3 MET 47 -7.930 32.748 8.818 369 H LEU 48 HN LEU 48 -12.105 33.446 12.549 370 HA LEU 48 HA LEU 48 -14.159 33.921 10.534 371 HB2 LEU 48 HB2 LEU 48 -14.020 31.855 12.739 372 HB3 LEU 48 HB1 LEU 48 -15.197 31.886 11.427 373 HG LEU 48 HG LEU 48 -13.503 30.356 10.749 374 HD11 LEU 48 HD11 LEU 48 -14.198 31.991 9.005 375 HD12 LEU 48 HD12 LEU 48 -12.527 31.467 8.785 376 HD13 LEU 48 HD13 LEU 48 -12.870 33.046 9.492 377 HD21 LEU 48 HD21 LEU 48 -11.884 31.636 12.463 378 HD22 LEU 48 HD22 LEU 48 -11.285 32.312 10.944 379 HD23 LEU 48 HD23 LEU 48 -11.279 30.565 11.200 380 H GLY 49 HN GLY 49 -13.474 35.286 13.428 381 HA2 GLY 49 HA2 GLY 49 -14.868 36.938 14.424 382 HA3 GLY 49 HA1 GLY 49 -16.278 36.046 13.862 383 H GLN 50 HN GLN 50 -14.060 33.878 15.061 384 HA GLN 50 HA GLN 50 -15.660 33.362 17.416 385 HB2 GLN 50 HB2 GLN 50 -13.072 32.063 16.589 386 HB3 GLN 50 HB1 GLN 50 -14.282 31.427 17.701 387 HG2 GLN 50 HG2 GLN 50 -15.192 32.150 14.945 388 HG3 GLN 50 HG1 GLN 50 -14.223 30.688 15.116 389 HE21 GLN 50 HE21 GLN 50 -17.241 32.244 16.263 390 HE22 GLN 50 HE22 GLN 50 -17.997 30.794 16.716 391 H ASN 51 HN ASN 51 -15.127 33.740 19.528 392 HA ASN 51 HA ASN 51 -12.493 34.965 20.031 393 HB2 ASN 51 HB2 ASN 51 -13.521 36.552 21.564 394 HB3 ASN 51 HB1 ASN 51 -14.313 36.670 19.993 395 HD21 ASN 51 HD21 ASN 51 -15.357 37.176 22.857 396 HD22 ASN 51 HD22 ASN 51 -16.774 36.245 22.940 397 HA PRO 52 HA PRO 52 -13.610 31.513 22.990 398 HB2 PRO 52 HB2 PRO 52 -11.842 29.634 22.142 399 HB3 PRO 52 HB1 PRO 52 -13.457 29.818 21.436 400 HG2 PRO 52 HG2 PRO 52 -10.821 30.673 20.388 401 HG3 PRO 52 HG1 PRO 52 -12.243 30.073 19.524 402 HD2 PRO 52 HD2 PRO 52 -11.517 32.746 19.717 403 HD3 PRO 52 HD1 PRO 52 -13.138 32.168 19.319 404 H THR 53 HN THR 53 -12.576 31.281 24.926 405 HA THR 53 HA THR 53 -10.093 32.706 25.350 406 HB THR 53 HB THR 53 -10.425 32.068 27.712 407 HG1 THR 53 HG1 THR 53 -12.806 30.825 26.854 408 HG21 THR 53 HG21 THR 53 -12.886 33.032 27.811 409 HG22 THR 53 HG22 THR 53 -12.611 33.310 26.090 410 HG23 THR 53 HG23 THR 53 -11.540 34.044 27.285 411 HA PRO 54 HA PRO 54 -7.099 29.562 25.014 412 HB2 PRO 54 HB2 PRO 54 -6.310 30.175 27.838 413 HB3 PRO 54 HB1 PRO 54 -5.318 30.156 26.366 414 HG2 PRO 54 HG2 PRO 54 -6.068 32.431 27.460 415 HG3 PRO 54 HG1 PRO 54 -6.018 32.247 25.704 416 HD2 PRO 54 HD2 PRO 54 -8.381 32.292 27.542 417 HD3 PRO 54 HD1 PRO 54 -8.223 32.926 25.889 418 H GLU 55 HN GLU 55 -8.954 29.605 28.054 419 HA GLU 55 HA GLU 55 -8.348 27.008 28.952 420 HB2 GLU 55 HB2 GLU 55 -10.840 28.691 29.306 421 HB3 GLU 55 HB1 GLU 55 -10.514 27.206 30.198 422 HG2 GLU 55 HG2 GLU 55 -9.617 28.708 31.687 423 HG3 GLU 55 HG1 GLU 55 -8.199 28.462 30.674 424 H GLU 56 HN GLU 56 -11.131 28.176 27.034 425 HA GLU 56 HA GLU 56 -12.175 25.560 26.564 426 HB2 GLU 56 HB2 GLU 56 -12.693 28.217 25.258 427 HB3 GLU 56 HB1 GLU 56 -13.525 26.746 24.773 428 HG2 GLU 56 HG2 GLU 56 -14.130 26.482 27.234 429 HG3 GLU 56 HG1 GLU 56 -13.589 28.143 27.444 430 H LEU 57 HN LEU 57 -10.086 27.756 24.761 431 HA LEU 57 HA LEU 57 -9.952 26.283 22.364 432 HB2 LEU 57 HB2 LEU 57 -8.052 28.222 23.648 433 HB3 LEU 57 HB1 LEU 57 -7.721 27.488 22.087 434 HG LEU 57 HG LEU 57 -10.176 29.111 22.805 435 HD11 LEU 57 HD11 LEU 57 -9.011 30.878 22.087 436 HD12 LEU 57 HD12 LEU 57 -8.640 30.035 20.579 437 HD13 LEU 57 HD13 LEU 57 -7.580 29.844 21.987 438 HD21 LEU 57 HD21 LEU 57 -9.828 28.772 20.013 439 HD22 LEU 57 HD22 LEU 57 -11.138 28.142 21.019 440 HD23 LEU 57 HD23 LEU 57 -9.690 27.172 20.747 441 H GLN 58 HN GLN 58 -8.131 26.062 25.375 442 HA GLN 58 HA GLN 58 -6.116 24.303 24.534 443 HB2 GLN 58 HB2 GLN 58 -6.182 25.510 26.731 444 HB3 GLN 58 HB1 GLN 58 -7.433 24.382 27.260 445 HG2 GLN 58 HG2 GLN 58 -5.876 22.496 26.817 446 HG3 GLN 58 HG1 GLN 58 -4.623 23.657 26.387 447 HE21 GLN 58 HE21 GLN 58 -3.249 24.154 28.091 448 HE22 GLN 58 HE22 GLN 58 -3.671 24.095 29.735 449 H GLU 59 HN GLU 59 -9.396 23.714 25.762 450 HA GLU 59 HA GLU 59 -9.228 20.884 25.852 451 HB2 GLU 59 HB2 GLU 59 -11.044 22.172 26.926 452 HB3 GLU 59 HB1 GLU 59 -11.658 22.620 25.335 453 HG2 GLU 59 HG2 GLU 59 -11.991 20.230 24.796 454 HG3 GLU 59 HG1 GLU 59 -11.395 19.791 26.396 455 H MET 60 HN MET 60 -10.194 23.127 23.288 456 HA MET 60 HA MET 60 -11.038 21.206 21.401 457 HB2 MET 60 HB2 MET 60 -9.686 23.688 20.445 458 HB3 MET 60 HB1 MET 60 -11.211 22.968 19.928 459 HG2 MET 60 HG2 MET 60 -10.696 24.519 22.474 460 HG3 MET 60 HG1 MET 60 -11.723 25.004 21.129 461 HE1 MET 60 HE1 MET 60 -14.478 24.846 23.050 462 HE2 MET 60 HE2 MET 60 -12.880 25.587 23.119 463 HE3 MET 60 HE3 MET 60 -13.400 24.508 24.411 464 H ILE 61 HN ILE 61 -7.879 22.618 22.117 465 HA ILE 61 HA ILE 61 -6.435 21.560 19.935 466 HB ILE 61 HB ILE 61 -5.529 22.208 22.745 467 HG12 ILE 61 HG12 ILE 61 -5.877 23.736 20.180 468 HG13 ILE 61 HG11 ILE 61 -6.224 24.242 21.823 469 HG21 ILE 61 HG21 ILE 61 -3.362 21.812 22.082 470 HG22 ILE 61 HG22 ILE 61 -3.701 22.176 20.390 471 HG23 ILE 61 HG23 ILE 61 -4.171 20.615 21.068 472 HD11 ILE 61 HD11 ILE 61 -3.420 23.779 20.812 473 HD12 ILE 61 HD12 ILE 61 -3.919 24.608 22.292 474 HD13 ILE 61 HD13 ILE 61 -4.239 25.332 20.715 475 H ASP 62 HN ASP 62 -7.014 20.297 23.214 476 HA ASP 62 HA ASP 62 -5.491 17.945 22.998 477 HB2 ASP 62 HB2 ASP 62 -6.296 18.752 25.136 478 HB3 ASP 62 HB1 ASP 62 -7.964 18.516 24.625 479 H GLU 63 HN GLU 63 -8.796 18.689 22.035 480 HA GLU 63 HA GLU 63 -9.902 16.223 21.599 481 HB2 GLU 63 HB2 GLU 63 -10.708 18.681 21.000 482 HB3 GLU 63 HB1 GLU 63 -10.131 18.228 19.403 483 HG2 GLU 63 HG2 GLU 63 -12.321 17.480 19.288 484 HG3 GLU 63 HG1 GLU 63 -11.507 16.026 19.865 485 H VAL 64 HN VAL 64 -7.514 17.900 19.603 486 HA VAL 64 HA VAL 64 -7.222 15.445 17.976 487 HB VAL 64 HB VAL 64 -6.004 17.180 16.401 488 HG11 VAL 64 HG11 VAL 64 -8.266 17.660 15.362 489 HG12 VAL 64 HG12 VAL 64 -9.001 16.901 16.775 490 HG13 VAL 64 HG13 VAL 64 -7.966 15.955 15.699 491 HG21 VAL 64 HG21 VAL 64 -7.429 19.355 16.579 492 HG22 VAL 64 HG22 VAL 64 -6.060 19.163 17.677 493 HG23 VAL 64 HG23 VAL 64 -7.701 18.859 18.248 494 H ASP 65 HN ASP 65 -5.802 17.343 20.349 495 HA ASP 65 HA ASP 65 -3.059 16.598 19.612 496 HB2 ASP 65 HB2 ASP 65 -3.620 18.929 20.407 497 HB3 ASP 65 HB1 ASP 65 -3.969 18.231 21.986 498 H GLU 66 HN GLU 66 -3.916 14.289 19.994 499 HA GLU 66 HA GLU 66 -4.403 13.401 22.647 500 HB2 GLU 66 HB2 GLU 66 -3.515 11.944 20.176 501 HB3 GLU 66 HB1 GLU 66 -3.897 11.133 21.692 502 HG2 GLU 66 HG2 GLU 66 -6.164 12.129 21.636 503 HG3 GLU 66 HG1 GLU 66 -5.770 12.906 20.104 504 H ASP 67 HN ASP 67 -1.551 14.304 20.993 505 HA ASP 67 HA ASP 67 0.279 12.655 22.475 506 HB2 ASP 67 HB2 ASP 67 2.012 13.998 21.440 507 HB3 ASP 67 HB1 ASP 67 0.789 13.612 20.230 508 H GLY 68 HN GLY 68 -1.553 15.376 23.258 509 HA2 GLY 68 HA2 GLY 68 -1.643 16.624 25.193 510 HA3 GLY 68 HA1 GLY 68 -0.350 15.617 25.839 511 H SER 69 HN SER 69 0.352 16.991 22.809 512 HA SER 69 HA SER 69 2.495 18.556 23.871 513 HB2 SER 69 HB2 SER 69 2.929 19.165 21.557 514 HB3 SER 69 HB1 SER 69 2.578 17.441 21.653 515 HG SER 69 HG SER 69 0.396 17.995 21.089 516 H GLY 70 HN GLY 70 -0.820 19.153 23.311 517 HA2 GLY 70 HA2 GLY 70 -2.091 21.035 23.745 518 HA3 GLY 70 HA1 GLY 70 -0.623 21.842 24.289 519 H THR 71 HN THR 71 -0.446 20.407 21.194 520 HA THR 71 HA THR 71 -1.273 22.822 19.769 521 HB THR 71 HB THR 71 1.150 22.401 18.588 522 HG1 THR 71 HG1 THR 71 2.227 22.574 20.969 523 HG21 THR 71 HG21 THR 71 0.300 24.581 19.127 524 HG22 THR 71 HG22 THR 71 1.858 24.421 19.936 525 HG23 THR 71 HG23 THR 71 0.363 24.237 20.856 526 H VAL 72 HN VAL 72 -2.434 22.142 18.121 527 HA VAL 72 HA VAL 72 -2.149 19.430 17.105 528 HB VAL 72 HB VAL 72 -4.406 19.879 17.153 529 HG11 VAL 72 HG11 VAL 72 -3.462 22.670 17.042 530 HG12 VAL 72 HG12 VAL 72 -4.794 21.969 17.952 531 HG13 VAL 72 HG13 VAL 72 -5.012 22.396 16.255 532 HG21 VAL 72 HG21 VAL 72 -5.109 19.937 14.965 533 HG22 VAL 72 HG22 VAL 72 -3.378 19.762 14.666 534 HG23 VAL 72 HG23 VAL 72 -4.132 21.354 14.580 535 H ASP 73 HN ASP 73 -0.575 19.063 15.671 536 HA ASP 73 HA ASP 73 0.403 21.150 13.910 537 HB2 ASP 73 HB2 ASP 73 1.181 18.396 14.654 538 HB3 ASP 73 HB1 ASP 73 1.625 18.911 13.029 539 H PHE 74 HN PHE 74 0.993 19.643 11.619 540 HA PHE 74 HA PHE 74 -1.280 20.041 10.054 541 HB2 PHE 74 HB2 PHE 74 0.759 19.953 8.896 542 HB3 PHE 74 HB1 PHE 74 1.222 18.425 9.649 543 HD1 PHE 74 HD1 PHE 74 -2.128 19.265 8.246 544 HD2 PHE 74 HD2 PHE 74 1.526 17.056 7.720 545 HE1 PHE 74 HE1 PHE 74 -3.155 17.997 6.355 546 HE2 PHE 74 HE2 PHE 74 0.500 15.804 5.844 547 HZ PHE 74 HZ PHE 74 -1.834 16.278 5.166 548 H ASP 75 HN ASP 75 0.041 16.994 11.352 549 HA ASP 75 HA ASP 75 -2.035 15.345 10.342 550 HB2 ASP 75 HB2 ASP 75 -1.185 13.914 12.429 551 HB3 ASP 75 HB1 ASP 75 -0.247 14.055 10.943 552 H GLU 76 HN GLU 76 -1.538 16.903 13.502 553 HA GLU 76 HA GLU 76 -3.841 15.849 14.755 554 HB2 GLU 76 HB2 GLU 76 -2.278 18.398 15.231 555 HB3 GLU 76 HB1 GLU 76 -3.575 17.841 16.287 556 HG2 GLU 76 HG2 GLU 76 -2.356 15.736 16.675 557 HG3 GLU 76 HG1 GLU 76 -1.072 16.286 15.601 558 H PHE 77 HN PHE 77 -3.321 18.797 12.849 559 HA PHE 77 HA PHE 77 -5.976 19.790 13.215 560 HB2 PHE 77 HB2 PHE 77 -5.053 21.619 12.273 561 HB3 PHE 77 HB1 PHE 77 -3.558 20.715 12.043 562 HD1 PHE 77 HD1 PHE 77 -6.813 21.583 10.489 563 HD2 PHE 77 HD2 PHE 77 -2.908 19.924 9.897 564 HE1 PHE 77 HE1 PHE 77 -7.174 21.593 8.041 565 HE2 PHE 77 HE2 PHE 77 -3.269 19.947 7.447 566 HZ PHE 77 HZ PHE 77 -5.398 20.785 6.524 567 H LEU 78 HN LEU 78 -4.332 17.952 10.656 568 HA LEU 78 HA LEU 78 -6.428 17.825 8.808 569 HB2 LEU 78 HB2 LEU 78 -3.888 16.871 8.868 570 HB3 LEU 78 HB1 LEU 78 -4.782 15.377 9.154 571 HG LEU 78 HG LEU 78 -4.443 15.733 6.744 572 HD11 LEU 78 HD11 LEU 78 -6.485 14.942 6.282 573 HD12 LEU 78 HD12 LEU 78 -7.277 16.401 6.884 574 HD13 LEU 78 HD13 LEU 78 -6.803 15.125 8.009 575 HD21 LEU 78 HD21 LEU 78 -6.255 18.111 6.860 576 HD22 LEU 78 HD22 LEU 78 -5.085 17.653 5.621 577 HD23 LEU 78 HD23 LEU 78 -4.534 18.323 7.157 578 H VAL 79 HN VAL 79 -5.746 15.943 11.703 579 HA VAL 79 HA VAL 79 -7.771 13.993 11.381 580 HB VAL 79 HB VAL 79 -6.350 15.066 13.803 581 HG11 VAL 79 HG11 VAL 79 -8.434 12.876 13.592 582 HG12 VAL 79 HG12 VAL 79 -8.546 14.361 14.537 583 HG13 VAL 79 HG13 VAL 79 -7.384 13.117 14.991 584 HG21 VAL 79 HG21 VAL 79 -4.841 13.456 13.312 585 HG22 VAL 79 HG22 VAL 79 -5.691 13.205 11.788 586 HG23 VAL 79 HG23 VAL 79 -6.116 12.240 13.203 587 H MET 80 HN MET 80 -7.717 17.180 12.924 588 HA MET 80 HA MET 80 -10.230 17.151 14.103 589 HB2 MET 80 HB2 MET 80 -10.000 19.442 14.338 590 HB3 MET 80 HB1 MET 80 -8.324 18.975 14.052 591 HG2 MET 80 HG2 MET 80 -9.172 19.268 11.512 592 HG3 MET 80 HG1 MET 80 -10.197 20.456 12.298 593 HE1 MET 80 HE1 MET 80 -7.916 22.806 14.061 594 HE2 MET 80 HE2 MET 80 -7.913 21.224 14.839 595 HE3 MET 80 HE3 MET 80 -9.398 21.839 14.114 596 H MET 81 HN MET 81 -9.313 17.779 10.755 597 HA MET 81 HA MET 81 -11.860 18.618 9.845 598 HB2 MET 81 HB2 MET 81 -9.470 17.438 8.461 599 HB3 MET 81 HB1 MET 81 -10.927 17.896 7.588 600 HG2 MET 81 HG2 MET 81 -9.496 19.797 9.424 601 HG3 MET 81 HG1 MET 81 -9.083 19.656 7.721 602 HE1 MET 81 HE1 MET 81 -10.699 21.430 10.212 603 HE2 MET 81 HE2 MET 81 -11.822 22.508 9.386 604 HE3 MET 81 HE3 MET 81 -10.118 22.514 8.940 605 H VAL 82 HN VAL 82 -10.244 15.475 9.775 606 HA VAL 82 HA VAL 82 -12.492 14.106 8.648 607 HB VAL 82 HB VAL 82 -10.661 12.832 8.185 608 HG11 VAL 82 HG11 VAL 82 -8.772 12.643 9.968 609 HG12 VAL 82 HG12 VAL 82 -9.588 14.006 10.723 610 HG13 VAL 82 HG13 VAL 82 -8.958 14.163 9.090 611 HG21 VAL 82 HG21 VAL 82 -12.201 11.536 9.812 612 HG22 VAL 82 HG22 VAL 82 -10.944 11.821 11.017 613 HG23 VAL 82 HG23 VAL 82 -10.578 10.896 9.557 614 H ARG 83 HN ARG 83 -11.430 14.875 11.869 615 HA ARG 83 HA ARG 83 -12.859 12.968 13.331 616 HB2 ARG 83 HB2 ARG 83 -11.919 15.749 13.916 617 HB3 ARG 83 HB1 ARG 83 -12.909 14.888 15.089 618 HG2 ARG 83 HG2 ARG 83 -11.294 13.028 15.077 619 HG3 ARG 83 HG1 ARG 83 -10.291 13.902 13.921 620 HD2 ARG 83 HD2 ARG 83 -9.462 14.201 16.222 621 HD3 ARG 83 HD1 ARG 83 -10.011 15.730 15.545 622 HE ARG 83 HE ARG 83 -11.723 15.759 17.122 623 HH11 ARG 83 HH11 ARG 83 -10.227 12.642 16.940 624 HH12 ARG 83 HH12 ARG 83 -11.040 12.019 18.335 625 HH21 ARG 83 HH21 ARG 83 -12.792 14.948 18.951 626 HH22 ARG 83 HH22 ARG 83 -12.492 13.324 19.475 627 H SER 84 HN SER 84 -13.814 16.232 12.269 628 HA SER 84 HA SER 84 -16.464 16.052 13.321 629 HB2 SER 84 HB2 SER 84 -16.886 18.082 12.006 630 HB3 SER 84 HB1 SER 84 -15.382 18.213 12.914 631 HG SER 84 HG SER 84 -14.349 18.348 11.096 632 H MET 85 HN MET 85 -14.982 15.379 10.185 633 HA MET 85 HA MET 85 -17.338 15.085 8.680 634 HB2 MET 85 HB2 MET 85 -14.602 13.840 8.419 635 HB3 MET 85 HB1 MET 85 -15.887 13.562 7.243 636 HG2 MET 85 HG2 MET 85 -16.085 16.081 7.035 637 HG3 MET 85 HG1 MET 85 -14.619 16.205 7.993 638 HE1 MET 85 HE1 MET 85 -12.275 14.165 6.724 639 HE2 MET 85 HE2 MET 85 -12.640 15.644 7.609 640 HE3 MET 85 HE3 MET 85 -11.838 15.741 6.045 641 H LYS 86 HN LYS 86 -15.439 12.643 10.451 642 HA LYS 86 HA LYS 86 -17.158 10.469 9.820 643 HB2 LYS 86 HB2 LYS 86 -15.117 10.891 12.007 644 HB3 LYS 86 HB1 LYS 86 -15.997 9.377 11.792 645 HG2 LYS 86 HG2 LYS 86 -14.424 10.697 9.565 646 HG3 LYS 86 HG1 LYS 86 -13.733 9.477 10.632 647 HD2 LYS 86 HD2 LYS 86 -15.539 7.908 9.977 648 HD3 LYS 86 HD1 LYS 86 -16.157 9.116 8.849 649 HE2 LYS 86 HE2 LYS 86 -13.722 9.121 7.904 650 HE3 LYS 86 HE1 LYS 86 -13.574 7.574 8.737 651 HZ1 LYS 86 HZ1 LYS 86 -14.468 7.738 6.286 652 HZ2 LYS 86 HZ2 LYS 86 -15.943 8.012 7.084 653 HZ3 LYS 86 HZ3 LYS 86 -15.070 6.583 7.372 654 H ASP 87 HN ASP 87 -16.996 12.721 12.543 655 HA ASP 87 HA ASP 87 -19.027 11.441 14.081 656 HB2 ASP 87 HB2 ASP 87 -17.301 13.025 14.982 657 HB3 ASP 87 HB1 ASP 87 -18.180 14.339 14.202 658 H ASP 88 HN ASP 88 -19.018 14.073 11.724 659 HA ASP 88 HA ASP 88 -21.672 14.929 12.068 660 HB2 ASP 88 HB2 ASP 88 -19.964 16.184 10.791 661 HB3 ASP 88 HB1 ASP 88 -20.015 14.949 9.535 662 H SER 89 HN SER 89 -20.277 12.492 9.892 663 HA SER 89 HA SER 89 -22.972 11.340 9.575 664 HB2 SER 89 HB2 SER 89 -22.546 12.638 7.557 665 HB3 SER 89 HB1 SER 89 -20.983 11.852 7.353 666 HG SER 89 HG SER 89 -23.551 10.636 7.299 667 H LYS 90 HN LYS 90 -22.875 9.098 8.687 668 HA LYS 90 HA LYS 90 -22.110 6.932 8.758 669 HB2 LYS 90 HB2 LYS 90 -20.215 7.510 7.445 670 HB3 LYS 90 HB1 LYS 90 -19.470 8.398 8.775 671 HG2 LYS 90 HG2 LYS 90 -20.090 5.518 9.237 672 HG3 LYS 90 HG1 LYS 90 -18.738 5.892 8.169 673 HD2 LYS 90 HD2 LYS 90 -17.593 7.090 9.858 674 HD3 LYS 90 HD1 LYS 90 -19.026 7.183 10.880 675 HE2 LYS 90 HE2 LYS 90 -18.942 4.611 10.935 676 HE3 LYS 90 HE1 LYS 90 -17.311 4.770 10.282 677 HZ1 LYS 90 HZ1 LYS 90 -16.790 6.242 12.168 678 HZ2 LYS 90 HZ2 LYS 90 -17.205 4.669 12.659 679 HZ3 LYS 90 HZ3 LYS 90 -18.327 5.936 12.816 680 H GLY 136 HN GLY 136 -22.169 5.531 10.415 681 HA2 GLY 136 HA2 GLY 136 -20.756 6.086 12.903 682 HA3 GLY 136 HA1 GLY 136 -22.514 6.060 13.009 683 H LYS 137 HN LYS 137 -23.478 4.158 13.339 684 HA LYS 137 HA LYS 137 -21.840 1.717 13.107 685 HB2 LYS 137 HB2 LYS 137 -24.379 2.178 14.691 686 HB3 LYS 137 HB1 LYS 137 -23.374 0.727 14.720 687 HG2 LYS 137 HG2 LYS 137 -21.668 1.757 15.897 688 HG3 LYS 137 HG1 LYS 137 -22.076 3.362 15.294 689 HD2 LYS 137 HD2 LYS 137 -24.138 2.015 16.958 690 HD3 LYS 137 HD1 LYS 137 -22.683 2.554 17.798 691 HE2 LYS 137 HE2 LYS 137 -23.008 4.806 16.640 692 HE3 LYS 137 HE1 LYS 137 -24.602 4.224 16.159 693 HZ1 LYS 137 HZ1 LYS 137 -25.310 4.896 18.134 694 HZ2 LYS 137 HZ2 LYS 137 -23.732 5.208 18.680 695 HZ3 LYS 137 HZ3 LYS 137 -24.394 3.653 18.837 696 H PHE 138 HN PHE 138 -23.634 3.245 11.071 697 HA PHE 138 HA PHE 138 -24.563 2.366 9.099 698 HB2 PHE 138 HB2 PHE 138 -23.734 0.081 9.924 699 HB3 PHE 138 HB1 PHE 138 -25.337 -0.109 10.636 700 HD1 PHE 138 HD1 PHE 138 -23.505 0.432 7.452 701 HD2 PHE 138 HD2 PHE 138 -27.252 -0.578 9.289 702 HE1 PHE 138 HE1 PHE 138 -24.406 -0.238 5.242 703 HE2 PHE 138 HE2 PHE 138 -28.155 -1.250 7.079 704 HZ PHE 138 HZ PHE 138 -26.732 -1.079 5.055 705 H LYS 139 HN LYS 139 -25.909 2.616 12.222 706 HA LYS 139 HA LYS 139 -28.670 2.531 11.256 707 HB2 LYS 139 HB2 LYS 139 -28.660 1.544 13.340 708 HB3 LYS 139 HB1 LYS 139 -27.349 2.564 13.933 709 HG2 LYS 139 HG2 LYS 139 -28.766 4.309 14.481 710 HG3 LYS 139 HG1 LYS 139 -29.949 3.873 13.248 711 HD2 LYS 139 HD2 LYS 139 -29.566 1.821 15.326 712 HD3 LYS 139 HD1 LYS 139 -30.229 3.342 15.926 713 HE2 LYS 139 HE2 LYS 139 -31.356 2.131 13.420 714 HE3 LYS 139 HE1 LYS 139 -31.859 1.503 14.988 715 HZ1 LYS 139 HZ1 LYS 139 -32.580 3.943 13.704 716 HZ2 LYS 139 HZ2 LYS 139 -31.957 4.223 15.261 717 HZ3 LYS 139 HZ3 LYS 139 -33.285 3.185 15.047 718 H ARG 140 HN ARG 140 -27.155 4.772 13.542 719 HA ARG 140 HA ARG 140 -27.960 7.043 11.846 720 HB2 ARG 140 HB2 ARG 140 -28.609 6.718 14.773 721 HB3 ARG 140 HB1 ARG 140 -28.787 8.223 13.884 722 HG2 ARG 140 HG2 ARG 140 -30.160 6.659 12.220 723 HG3 ARG 140 HG1 ARG 140 -30.384 5.705 13.687 724 HD2 ARG 140 HD2 ARG 140 -31.097 7.865 14.833 725 HD3 ARG 140 HD1 ARG 140 -31.127 8.599 13.231 726 HE ARG 140 HE ARG 140 -32.665 6.298 13.036 727 HH11 ARG 140 HH11 ARG 140 -32.626 9.215 14.897 728 HH12 ARG 140 HH12 ARG 140 -34.345 9.272 15.099 729 HH21 ARG 140 HH21 ARG 140 -34.920 6.364 13.301 730 HH22 ARG 140 HH22 ARG 140 -35.643 7.658 14.195 731 HA PRO 141 HA PRO 141 -24.132 8.724 13.149 732 HB2 PRO 141 HB2 PRO 141 -24.612 11.391 12.902 733 HB3 PRO 141 HB1 PRO 141 -24.464 10.293 11.519 734 HG2 PRO 141 HG2 PRO 141 -26.831 11.592 12.628 735 HG3 PRO 141 HG1 PRO 141 -26.562 10.906 11.019 736 HD2 PRO 141 HD2 PRO 141 -27.986 9.723 13.219 737 HD3 PRO 141 HD1 PRO 141 -27.708 9.015 11.619 738 H THR 142 HN THR 142 -26.884 9.305 15.046 739 HA THR 142 HA THR 142 -27.117 9.708 17.301 740 HB THR 142 HB THR 142 -24.139 10.060 17.539 741 HG1 THR 142 HG1 THR 142 -24.609 8.167 16.306 742 HG21 THR 142 HG21 THR 142 -25.675 8.459 19.467 743 HG22 THR 142 HG22 THR 142 -26.198 10.139 19.356 744 HG23 THR 142 HG23 THR 142 -24.521 9.762 19.752 745 H LEU 143 HN LEU 143 -24.177 11.603 16.675 746 HA LEU 143 HA LEU 143 -25.760 14.057 17.154 747 HB2 LEU 143 HB2 LEU 143 -22.874 13.521 17.888 748 HB3 LEU 143 HB1 LEU 143 -23.741 15.035 18.151 749 HG LEU 143 HG LEU 143 -24.536 12.351 19.319 750 HD11 LEU 143 HD11 LEU 143 -23.028 12.793 20.926 751 HD12 LEU 143 HD12 LEU 143 -23.915 14.268 21.309 752 HD13 LEU 143 HD13 LEU 143 -22.594 14.311 20.141 753 HD21 LEU 143 HD21 LEU 143 -25.733 15.097 19.310 754 HD22 LEU 143 HD22 LEU 143 -25.887 14.126 20.774 755 HD23 LEU 143 HD23 LEU 143 -26.536 13.528 19.247 756 H ARG 144 HN ARG 144 -25.399 15.811 15.833 757 HA ARG 144 HA ARG 144 -23.631 15.331 13.509 758 HB2 ARG 144 HB2 ARG 144 -25.238 17.038 12.401 759 HB3 ARG 144 HB1 ARG 144 -25.800 15.381 12.620 760 HG2 ARG 144 HG2 ARG 144 -26.330 16.979 14.986 761 HG3 ARG 144 HG1 ARG 144 -27.060 17.704 13.555 762 HD2 ARG 144 HD2 ARG 144 -27.785 15.199 13.069 763 HD3 ARG 144 HD1 ARG 144 -27.594 15.043 14.813 764 HE ARG 144 HE ARG 144 -29.464 16.409 15.101 765 HH11 ARG 144 HH11 ARG 144 -28.344 16.432 11.827 766 HH12 ARG 144 HH12 ARG 144 -29.733 17.264 11.212 767 HH21 ARG 144 HH21 ARG 144 -31.291 17.500 14.300 768 HH22 ARG 144 HH22 ARG 144 -31.401 17.869 12.611 769 H ARG 145 HN ARG 145 -22.799 16.521 16.006 770 HA ARG 145 HA ARG 145 -22.771 19.339 15.975 771 HB2 ARG 145 HB2 ARG 145 -20.762 17.367 17.077 772 HB3 ARG 145 HB1 ARG 145 -20.754 19.095 17.416 773 HG2 ARG 145 HG2 ARG 145 -22.950 18.967 18.433 774 HG3 ARG 145 HG1 ARG 145 -23.091 17.264 17.999 775 HD2 ARG 145 HD2 ARG 145 -21.117 16.755 19.404 776 HD3 ARG 145 HD1 ARG 145 -21.011 18.454 19.856 777 HE ARG 145 HE ARG 145 -23.598 17.614 20.475 778 HH11 ARG 145 HH11 ARG 145 -20.327 16.882 21.335 779 HH12 ARG 145 HH12 ARG 145 -20.716 16.388 22.949 780 HH21 ARG 145 HH21 ARG 145 -24.116 16.965 22.589 781 HH22 ARG 145 HH22 ARG 145 -22.861 16.435 23.660 782 H VAL 146 HN VAL 146 -22.187 20.485 14.253 783 HA VAL 146 HA VAL 146 -20.042 19.607 12.511 784 HB VAL 146 HB VAL 146 -20.611 21.497 11.141 785 HG11 VAL 146 HG11 VAL 146 -22.758 19.786 12.279 786 HG12 VAL 146 HG12 VAL 146 -22.233 19.970 10.605 787 HG13 VAL 146 HG13 VAL 146 -23.291 21.178 11.337 788 HG21 VAL 146 HG21 VAL 146 -20.835 23.096 13.041 789 HG22 VAL 146 HG22 VAL 146 -22.396 22.375 13.425 790 HG23 VAL 146 HG23 VAL 146 -22.166 23.215 11.891 791 H ARG 147 HN ARG 147 -20.503 21.783 15.171 792 HA ARG 147 HA ARG 147 -19.093 23.228 16.269 793 HB2 ARG 147 HB2 ARG 147 -16.988 21.397 15.096 794 HB3 ARG 147 HB1 ARG 147 -16.760 22.501 16.454 795 HG2 ARG 147 HG2 ARG 147 -17.190 20.376 17.445 796 HG3 ARG 147 HG1 ARG 147 -18.705 21.268 17.581 797 HD2 ARG 147 HD2 ARG 147 -19.793 19.863 16.211 798 HD3 ARG 147 HD1 ARG 147 -18.462 19.811 15.060 799 HE ARG 147 HE ARG 147 -18.767 18.064 17.419 800 HH11 ARG 147 HH11 ARG 147 -17.103 19.011 14.525 801 HH12 ARG 147 HH12 ARG 147 -16.179 17.551 14.418 802 HH21 ARG 147 HH21 ARG 147 -17.543 16.149 17.277 803 HH22 ARG 147 HH22 ARG 147 -16.425 15.937 15.971 804 H ILE 148 HN ILE 148 -16.332 23.821 15.424 805 HA ILE 148 HA ILE 148 -16.539 26.205 14.181 806 HB ILE 148 HB ILE 148 -14.419 24.993 14.969 807 HG12 ILE 148 HG12 ILE 148 -14.326 26.545 12.361 808 HG13 ILE 148 HG11 ILE 148 -14.473 27.271 13.963 809 HG21 ILE 148 HG21 ILE 148 -13.944 24.314 12.111 810 HG22 ILE 148 HG22 ILE 148 -14.982 23.215 13.026 811 HG23 ILE 148 HG23 ILE 148 -13.333 23.534 13.570 812 HD11 ILE 148 HD11 ILE 148 -12.144 25.798 12.766 813 HD12 ILE 148 HD12 ILE 148 -12.330 25.900 14.515 814 HD13 ILE 148 HD13 ILE 148 -12.167 27.372 13.560 815 H SER 149 HN SER 149 -17.323 26.932 12.307 816 HA SER 149 HA SER 149 -18.264 25.163 10.272 817 HB2 SER 149 HB2 SER 149 -18.107 28.130 10.620 818 HB3 SER 149 HB1 SER 149 -18.437 27.481 9.017 819 HG SER 149 HG SER 149 -19.916 26.144 10.758 820 H ALA 150 HN ALA 150 -16.762 24.018 9.179 821 HA ALA 150 HA ALA 150 -14.153 24.854 8.553 822 HB1 ALA 150 HB1 ALA 150 -13.958 22.800 7.611 823 HB2 ALA 150 HB2 ALA 150 -15.400 23.013 6.618 824 HB3 ALA 150 HB3 ALA 150 -15.555 22.513 8.303 825 H ASP 151 HN ASP 151 -17.195 25.133 6.776 826 HA ASP 151 HA ASP 151 -16.391 25.904 4.278 827 HB2 ASP 151 HB2 ASP 151 -18.467 27.657 5.437 828 HB3 ASP 151 HB1 ASP 151 -18.520 26.640 3.997 829 H ALA 152 HN ALA 152 -17.453 28.509 6.411 830 HA ALA 152 HA ALA 152 -15.858 30.466 5.187 831 HB1 ALA 152 HB1 ALA 152 -17.852 30.391 7.133 832 HB2 ALA 152 HB2 ALA 152 -17.070 31.826 6.468 833 HB3 ALA 152 HB3 ALA 152 -16.449 31.090 7.947 834 H MET 153 HN MET 153 -15.273 28.367 7.957 835 HA MET 153 HA MET 153 -13.106 29.584 9.149 836 HB2 MET 153 HB2 MET 153 -14.018 27.559 10.087 837 HB3 MET 153 HB1 MET 153 -13.657 26.652 8.620 838 HG2 MET 153 HG2 MET 153 -11.193 27.291 9.066 839 HG3 MET 153 HG1 MET 153 -11.743 27.717 10.687 840 HE1 MET 153 HE1 MET 153 -9.861 25.001 11.542 841 HE2 MET 153 HE2 MET 153 -9.645 26.187 10.253 842 HE3 MET 153 HE3 MET 153 -9.706 24.473 9.855 843 H MET 154 HN MET 154 -13.011 27.274 6.430 844 HA MET 154 HA MET 154 -10.205 27.626 5.998 845 HB2 MET 154 HB2 MET 154 -12.394 26.401 4.325 846 HB3 MET 154 HB1 MET 154 -10.708 26.460 3.810 847 HG2 MET 154 HG2 MET 154 -10.408 25.488 6.327 848 HG3 MET 154 HG1 MET 154 -11.981 24.807 5.911 849 HE1 MET 154 HE1 MET 154 -8.590 25.598 5.035 850 HE2 MET 154 HE2 MET 154 -8.693 25.339 3.294 851 HE3 MET 154 HE3 MET 154 -7.867 24.155 4.307 852 H GLN 155 HN GLN 155 -13.108 29.197 4.858 853 HA GLN 155 HA GLN 155 -12.101 30.445 2.554 854 HB2 GLN 155 HB2 GLN 155 -14.227 31.320 4.520 855 HB3 GLN 155 HB1 GLN 155 -13.894 32.164 3.009 856 HG2 GLN 155 HG2 GLN 155 -14.268 29.990 1.811 857 HG3 GLN 155 HG1 GLN 155 -14.804 29.312 3.344 858 HE21 GLN 155 HE21 GLN 155 -15.671 31.541 0.756 859 HE22 GLN 155 HE22 GLN 155 -17.267 31.799 1.276 860 H ALA 156 HN ALA 156 -12.107 31.499 5.950 861 HA ALA 156 HA ALA 156 -10.914 34.028 5.512 862 HB1 ALA 156 HB1 ALA 156 -11.929 33.734 7.623 863 HB2 ALA 156 HB2 ALA 156 -10.203 33.713 7.981 864 HB3 ALA 156 HB3 ALA 156 -11.106 32.201 7.909 865 H LEU 157 HN LEU 157 -9.572 30.833 6.238 866 HA LEU 157 HA LEU 157 -6.866 31.647 6.471 867 HB2 LEU 157 HB2 LEU 157 -7.381 28.964 5.351 868 HB3 LEU 157 HB1 LEU 157 -6.407 29.437 6.739 869 HG LEU 157 HG LEU 157 -9.415 29.201 6.615 870 HD11 LEU 157 HD11 LEU 157 -8.808 27.702 8.656 871 HD12 LEU 157 HD12 LEU 157 -7.202 27.670 7.923 872 HD13 LEU 157 HD13 LEU 157 -8.603 27.077 7.025 873 HD21 LEU 157 HD21 LEU 157 -8.250 29.739 9.235 874 HD22 LEU 157 HD22 LEU 157 -9.610 30.519 8.430 875 HD23 LEU 157 HD23 LEU 157 -7.970 31.057 8.099 876 H LEU 158 HN LEU 158 -8.776 30.513 3.713 877 HA LEU 158 HA LEU 158 -6.512 30.816 1.908 878 HB2 LEU 158 HB2 LEU 158 -9.386 30.071 1.333 879 HB3 LEU 158 HB1 LEU 158 -8.041 29.971 0.200 880 HG LEU 158 HG LEU 158 -8.223 28.481 2.822 881 HD11 LEU 158 HD11 LEU 158 -9.761 27.403 1.397 882 HD12 LEU 158 HD12 LEU 158 -8.271 26.495 1.132 883 HD13 LEU 158 HD13 LEU 158 -8.783 27.712 -0.039 884 HD21 LEU 158 HD21 LEU 158 -5.917 28.930 2.262 885 HD22 LEU 158 HD22 LEU 158 -6.186 28.472 0.580 886 HD23 LEU 158 HD23 LEU 158 -6.247 27.248 1.847 887 H GLY 159 HN GLY 159 -8.702 32.878 3.297 888 HA2 GLY 159 HA2 GLY 159 -9.540 34.959 2.763 889 HA3 GLY 159 HA1 GLY 159 -8.037 35.136 1.862 890 H ALA 160 HN ALA 160 -10.579 32.787 1.181 891 HA ALA 160 HA ALA 160 -11.997 32.538 -0.615 892 HB1 ALA 160 HB1 ALA 160 -11.640 35.454 -0.426 893 HB2 ALA 160 HB2 ALA 160 -13.110 34.508 -0.663 894 HB3 ALA 160 HB3 ALA 160 -12.069 34.874 -2.038 895 H ARG 161 HN ARG 161 -9.397 31.678 -0.881 896 HA ARG 161 HA ARG 161 -7.813 32.558 -2.934 897 HB2 ARG 161 HB2 ARG 161 -8.346 29.974 -1.668 898 HB3 ARG 161 HB1 ARG 161 -7.807 29.823 -3.341 899 HG2 ARG 161 HG2 ARG 161 -5.882 31.300 -2.836 900 HG3 ARG 161 HG1 ARG 161 -6.405 31.388 -1.154 901 HD2 ARG 161 HD2 ARG 161 -5.126 29.561 -0.810 902 HD3 ARG 161 HD1 ARG 161 -6.376 28.666 -1.670 903 HE ARG 161 HE ARG 161 -4.714 29.703 -3.630 904 HH11 ARG 161 HH11 ARG 161 -4.443 27.651 -0.855 905 HH12 ARG 161 HH12 ARG 161 -3.134 26.720 -1.500 906 HH21 ARG 161 HH21 ARG 161 -2.995 28.485 -4.481 907 HH22 ARG 161 HH22 ARG 161 -2.313 27.192 -3.552 908 H ALA 162 HN ALA 162 -10.874 30.827 -3.185 909 HA ALA 162 HA ALA 162 -11.126 31.658 -5.958 910 HB1 ALA 162 HB1 ALA 162 -11.802 29.153 -6.458 911 HB2 ALA 162 HB2 ALA 162 -10.678 28.821 -5.142 912 HB3 ALA 162 HB3 ALA 162 -10.122 29.679 -6.580 913 H LYS 163 HN LYS 163 -13.296 30.990 -6.843 914 HA LYS 163 HA LYS 163 -15.316 30.471 -4.784 915 HB2 LYS 163 HB2 LYS 163 -16.641 32.398 -5.353 916 HB3 LYS 163 HB1 LYS 163 -15.018 32.961 -4.959 917 HG2 LYS 163 HG2 LYS 163 -14.450 33.055 -7.348 918 HG3 LYS 163 HG1 LYS 163 -16.059 32.460 -7.762 919 HD2 LYS 163 HD2 LYS 163 -17.046 34.451 -6.627 920 HD3 LYS 163 HD1 LYS 163 -15.416 35.061 -6.341 921 HE2 LYS 163 HE2 LYS 163 -16.566 34.436 -9.076 922 HE3 LYS 163 HE1 LYS 163 -16.458 36.053 -8.379 923 HZ1 LYS 163 HZ1 LYS 163 -14.124 35.953 -8.374 924 HZ2 LYS 163 HZ2 LYS 163 -14.593 35.367 -9.899 925 HZ3 LYS 163 HZ3 LYS 163 -14.102 34.286 -8.684 926 H GLY 164 HN GLY 164 -17.561 31.017 -6.318 927 HA2 GLY 164 HA2 GLY 164 -18.772 30.351 -8.206 928 HA3 GLY 164 HA1 GLY 164 -17.301 29.654 -8.877 929 H HIS 165 HN HIS 165 -17.779 28.763 -5.653 930 HA HIS 165 HA HIS 165 -18.683 26.091 -6.505 931 HB2 HIS 165 HB2 HIS 165 -16.808 27.091 -4.499 932 HB3 HIS 165 HB1 HIS 165 -17.927 25.890 -3.855 933 HD2 HIS 165 HD2 HIS 165 -17.949 24.348 -7.011 934 HE1 HIS 165 HE1 HIS 165 -14.029 23.373 -5.783 935 HE2 HIS 165 HE2 HIS 165 -15.883 22.805 -7.423 936 H HIS 166 HN HIS 166 -18.912 27.378 -3.249 937 HA HIS 166 HA HIS 166 -20.710 27.215 -1.785 938 HB2 HIS 166 HB2 HIS 166 -21.852 28.909 -4.022 939 HB3 HIS 166 HB1 HIS 166 -22.480 28.832 -2.376 940 HD2 HIS 166 HD2 HIS 166 -19.891 30.836 -4.335 941 HE1 HIS 166 HE1 HIS 166 -18.877 31.315 -0.265 942 HE2 HIS 166 HE2 HIS 166 -18.441 32.166 -2.618 943 H HIS 167 HN HIS 167 -23.430 27.261 -2.159 944 HA HIS 167 HA HIS 167 -23.891 24.579 -3.248 945 HB2 HIS 167 HB2 HIS 167 -26.232 25.135 -2.129 946 HB3 HIS 167 HB1 HIS 167 -24.855 24.610 -1.159 947 HD2 HIS 167 HD2 HIS 167 -23.888 26.525 0.631 948 HE1 HIS 167 HE1 HIS 167 -26.384 29.703 -0.587 949 HE2 HIS 167 HE2 HIS 167 -24.675 28.961 1.138 950 H HIS 168 HN HIS 168 -23.905 27.575 -4.476 951 HA HIS 168 HA HIS 168 -26.384 27.239 -6.032 952 HB2 HIS 168 HB2 HIS 168 -24.525 29.610 -5.733 953 HB3 HIS 168 HB1 HIS 168 -25.969 29.585 -6.746 954 HD2 HIS 168 HD2 HIS 168 -25.029 30.159 -3.048 955 HE1 HIS 168 HE1 HIS 168 -29.234 29.805 -3.191 956 HE2 HIS 168 HE2 HIS 168 -27.261 30.440 -1.723 957 H HIS 169 HN HIS 169 -23.008 26.834 -6.220 958 HA HIS 169 HA HIS 169 -21.546 26.819 -8.072 959 HB2 HIS 169 HB2 HIS 169 -22.332 24.512 -7.599 960 HB3 HIS 169 HB1 HIS 169 -23.641 24.743 -8.759 961 HD2 HIS 169 HD2 HIS 169 -22.914 24.156 -11.370 962 HE1 HIS 169 HE1 HIS 169 -18.727 24.193 -10.829 963 HE2 HIS 169 HE2 HIS 169 -20.594 23.741 -12.491 964 H HIS 170 HN HIS 170 -23.742 25.553 -10.301 965 HA HIS 170 HA HIS 170 -24.074 26.371 -12.475 966 HB2 HIS 170 HB2 HIS 170 -25.810 27.705 -10.474 967 HB3 HIS 170 HB1 HIS 170 -25.799 28.409 -12.092 968 HD2 HIS 170 HD2 HIS 170 -27.340 25.392 -10.270 969 HE1 HIS 170 HE1 HIS 170 -27.857 24.686 -14.400 970 HE2 HIS 170 HE2 HIS 170 -28.514 23.912 -12.073 971 H17 V8Y 201 H17 A7 201 -12.911 25.033 19.890 972 H21 V8Y 201 H21 A7 201 -15.414 23.232 18.557 973 H3 V8Y 201 H3 A7 201 -15.362 20.753 18.640 974 H4 V8Y 201 H4 A7 201 -13.314 19.526 17.942 975 H6 V8Y 201 H6 A7 201 -8.957 20.833 16.314 976 H7 V8Y 201 H7 A7 201 -9.027 23.318 16.247 977 H8 V8Y 201 H8 A7 201 -11.075 24.530 16.942 978 H11 V8Y 201 H11 A7 201 -14.556 27.323 19.212 979 H8L V8Y 201 H8L A7 201 -13.560 27.327 20.672 980 H12 V8Y 201 H12 A7 201 -14.935 25.832 21.721 981 H8M V8Y 201 H8M A7 201 -15.002 24.795 20.274 982 H13 V8Y 201 H13 A7 201 -16.959 25.697 19.564 983 H8O V8Y 201 H8O A7 201 -16.438 27.355 20.026 984 H14 V8Y 201 H14 A7 201 -16.923 25.789 22.392 985 H8N V8Y 201 H8N A7 201 -18.341 25.719 21.283 986 H15 V8Y 201 H15 A7 201 -17.754 28.381 21.235 987 H8P V8Y 201 H8P A7 201 -17.297 27.947 22.904 988 H16 V8Y 201 H16 A7 201 -19.510 27.009 23.314 989 H8Q V8Y 201 H8Q A7 201 -19.968 27.275 21.616 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.318 11.375 19.279 2 H2 MET 1 HT2 MET 1 -5.517 9.959 18.788 3 H3 MET 1 HT3 MET 1 -7.200 10.094 18.600 4 HA MET 1 HA MET 1 -6.277 12.258 17.253 5 HB2 MET 1 HB2 MET 1 -4.224 10.157 17.370 6 HB3 MET 1 HB1 MET 1 -4.659 10.628 15.726 7 HG2 MET 1 HG2 MET 1 -4.013 12.647 17.881 8 HG3 MET 1 HG1 MET 1 -2.790 11.993 16.793 9 HE1 MET 1 HE1 MET 1 -3.241 13.291 13.513 10 HE2 MET 1 HE2 MET 1 -4.324 11.922 13.756 11 HE3 MET 1 HE3 MET 1 -2.761 11.956 14.570 12 H ASP 2 HN ASP 2 -7.322 8.985 17.462 13 HA ASP 2 HA ASP 2 -8.975 7.864 16.308 14 HB2 ASP 2 HB2 ASP 2 -9.376 10.638 15.565 15 HB3 ASP 2 HB1 ASP 2 -9.793 9.541 14.254 16 H ASP 3 HN ASP 3 -7.922 6.254 15.281 17 HA ASP 3 HA ASP 3 -5.978 6.574 13.251 18 HB2 ASP 3 HB2 ASP 3 -7.772 4.214 13.735 19 HB3 ASP 3 HB1 ASP 3 -6.247 4.192 12.881 20 H ILE 4 HN ILE 4 -9.472 5.883 13.071 21 HA ILE 4 HA ILE 4 -9.770 5.525 10.338 22 HB ILE 4 HB ILE 4 -11.602 5.288 11.965 23 HG12 ILE 4 HG12 ILE 4 -11.809 5.983 9.394 24 HG13 ILE 4 HG11 ILE 4 -13.237 5.826 10.427 25 HG21 ILE 4 HG21 ILE 4 -11.565 8.316 12.004 26 HG22 ILE 4 HG22 ILE 4 -11.041 7.286 13.329 27 HG23 ILE 4 HG23 ILE 4 -12.732 7.286 12.827 28 HD11 ILE 4 HD11 ILE 4 -13.495 8.132 10.650 29 HD12 ILE 4 HD12 ILE 4 -12.899 8.016 8.994 30 HD13 ILE 4 HD13 ILE 4 -11.798 8.455 10.302 31 H TYR 5 HN TYR 5 -9.732 8.583 12.171 32 HA TYR 5 HA TYR 5 -9.964 10.266 9.859 33 HB2 TYR 5 HB2 TYR 5 -8.947 10.875 12.618 34 HB3 TYR 5 HB1 TYR 5 -9.320 12.076 11.395 35 HD1 TYR 5 HD1 TYR 5 -10.657 11.846 14.146 36 HD2 TYR 5 HD2 TYR 5 -11.691 10.271 10.290 37 HE1 TYR 5 HE1 TYR 5 -13.043 11.801 14.795 38 HE2 TYR 5 HE2 TYR 5 -14.080 10.223 10.948 39 HH TYR 5 HH TYR 5 -15.212 11.732 13.863 40 H LYS 6 HN LYS 6 -7.301 8.847 11.684 41 HA LYS 6 HA LYS 6 -5.131 10.303 10.667 42 HB2 LYS 6 HB2 LYS 6 -5.498 7.495 11.679 43 HB3 LYS 6 HB1 LYS 6 -3.967 7.954 10.915 44 HG2 LYS 6 HG2 LYS 6 -5.134 9.775 12.986 45 HG3 LYS 6 HG1 LYS 6 -4.325 8.298 13.514 46 HD2 LYS 6 HD2 LYS 6 -2.627 9.934 13.452 47 HD3 LYS 6 HD1 LYS 6 -2.388 9.006 11.982 48 HE2 LYS 6 HE2 LYS 6 -4.212 11.359 11.817 49 HE3 LYS 6 HE1 LYS 6 -2.488 11.695 11.971 50 HZ1 LYS 6 HZ1 LYS 6 -3.349 9.664 10.042 51 HZ2 LYS 6 HZ2 LYS 6 -2.018 10.717 9.982 52 HZ3 LYS 6 HZ3 LYS 6 -3.579 11.298 9.644 53 H ALA 7 HN ALA 7 -6.791 7.432 9.361 54 HA ALA 7 HA ALA 7 -5.219 7.216 6.974 55 HB1 ALA 7 HB1 ALA 7 -6.412 5.282 7.419 56 HB2 ALA 7 HB2 ALA 7 -7.423 6.037 6.186 57 HB3 ALA 7 HB3 ALA 7 -7.872 6.157 7.899 58 H ALA 8 HN ALA 8 -8.066 9.070 7.928 59 HA ALA 8 HA ALA 8 -8.946 9.944 5.388 60 HB1 ALA 8 HB1 ALA 8 -8.959 11.545 7.971 61 HB2 ALA 8 HB2 ALA 8 -10.148 10.300 7.564 62 HB3 ALA 8 HB3 ALA 8 -10.028 11.760 6.573 63 H VAL 9 HN VAL 9 -6.431 11.189 7.580 64 HA VAL 9 HA VAL 9 -5.783 13.522 6.128 65 HB VAL 9 HB VAL 9 -4.053 11.776 7.896 66 HG11 VAL 9 HG11 VAL 9 -3.409 14.629 7.646 67 HG12 VAL 9 HG12 VAL 9 -3.202 13.733 6.138 68 HG13 VAL 9 HG13 VAL 9 -2.338 13.225 7.588 69 HG21 VAL 9 HG21 VAL 9 -4.527 13.738 9.487 70 HG22 VAL 9 HG22 VAL 9 -5.854 12.614 9.188 71 HG23 VAL 9 HG23 VAL 9 -5.813 14.165 8.370 72 H GLU 10 HN GLU 10 -4.460 10.214 6.018 73 HA GLU 10 HA GLU 10 -2.631 10.798 3.865 74 HB2 GLU 10 HB2 GLU 10 -3.647 8.211 5.071 75 HB3 GLU 10 HB1 GLU 10 -2.457 8.285 3.754 76 HG2 GLU 10 HG2 GLU 10 -0.928 9.559 5.134 77 HG3 GLU 10 HG1 GLU 10 -2.133 9.675 6.412 78 H GLN 11 HN GLN 11 -5.972 9.932 4.114 79 HA GLN 11 HA GLN 11 -6.282 8.839 1.495 80 HB2 GLN 11 HB2 GLN 11 -8.209 9.905 3.526 81 HB3 GLN 11 HB1 GLN 11 -8.744 9.350 1.956 82 HG2 GLN 11 HG2 GLN 11 -6.914 7.452 3.171 83 HG3 GLN 11 HG1 GLN 11 -8.300 7.761 4.214 84 HE21 GLN 11 HE21 GLN 11 -7.317 5.702 1.817 85 HE22 GLN 11 HE22 GLN 11 -8.822 5.329 1.126 86 H LEU 12 HN LEU 12 -6.636 12.051 2.907 87 HA LEU 12 HA LEU 12 -7.900 13.412 0.879 88 HB2 LEU 12 HB2 LEU 12 -5.588 14.370 2.581 89 HB3 LEU 12 HB1 LEU 12 -6.647 15.419 1.637 90 HG LEU 12 HG LEU 12 -7.360 13.702 4.012 91 HD11 LEU 12 HD11 LEU 12 -8.109 16.550 3.563 92 HD12 LEU 12 HD12 LEU 12 -6.485 16.148 4.117 93 HD13 LEU 12 HD13 LEU 12 -7.890 15.687 5.082 94 HD21 LEU 12 HD21 LEU 12 -9.201 13.249 2.626 95 HD22 LEU 12 HD22 LEU 12 -9.076 14.807 1.805 96 HD23 LEU 12 HD23 LEU 12 -9.725 14.721 3.446 97 H THR 13 HN THR 13 -7.492 13.558 -1.218 98 HA THR 13 HA THR 13 -5.179 12.662 -2.501 99 HB THR 13 HB THR 13 -7.456 13.101 -3.539 100 HG1 THR 13 HG1 THR 13 -5.766 14.409 -5.218 101 HG21 THR 13 HG21 THR 13 -7.872 15.339 -2.780 102 HG22 THR 13 HG22 THR 13 -7.664 15.421 -4.527 103 HG23 THR 13 HG23 THR 13 -6.348 15.909 -3.460 104 H GLU 14 HN GLU 14 -4.082 14.375 -4.150 105 HA GLU 14 HA GLU 14 -2.257 15.833 -2.600 106 HB2 GLU 14 HB2 GLU 14 -1.778 15.049 -4.884 107 HB3 GLU 14 HB1 GLU 14 -2.949 16.202 -5.525 108 HG2 GLU 14 HG2 GLU 14 -1.647 18.070 -4.710 109 HG3 GLU 14 HG1 GLU 14 -0.541 16.989 -3.865 110 H GLU 15 HN GLU 15 -5.115 16.896 -4.425 111 HA GLU 15 HA GLU 15 -4.758 19.666 -3.767 112 HB2 GLU 15 HB2 GLU 15 -6.003 18.835 -5.780 113 HB3 GLU 15 HB1 GLU 15 -7.278 18.271 -4.691 114 HG2 GLU 15 HG2 GLU 15 -7.648 20.534 -3.881 115 HG3 GLU 15 HG1 GLU 15 -6.297 21.133 -4.843 116 H GLN 16 HN GLN 16 -7.053 17.168 -2.666 117 HA GLN 16 HA GLN 16 -8.493 18.621 -0.842 118 HB2 GLN 16 HB2 GLN 16 -7.729 15.756 -1.066 119 HB3 GLN 16 HB1 GLN 16 -8.407 16.286 0.467 120 HG2 GLN 16 HG2 GLN 16 -10.463 16.752 -0.435 121 HG3 GLN 16 HG1 GLN 16 -9.795 17.197 -2.002 122 HE21 GLN 16 HE21 GLN 16 -11.500 15.732 -2.947 123 HE22 GLN 16 HE22 GLN 16 -11.221 14.057 -2.971 124 H LYS 17 HN LYS 17 -5.517 16.767 -0.184 125 HA LYS 17 HA LYS 17 -5.255 17.642 2.506 126 HB2 LYS 17 HB2 LYS 17 -4.112 15.660 1.221 127 HB3 LYS 17 HB1 LYS 17 -2.880 16.870 0.857 128 HG2 LYS 17 HG2 LYS 17 -2.788 17.390 3.328 129 HG3 LYS 17 HG1 LYS 17 -3.829 15.988 3.599 130 HD2 LYS 17 HD2 LYS 17 -1.075 15.987 2.316 131 HD3 LYS 17 HD1 LYS 17 -1.515 15.305 3.886 132 HE2 LYS 17 HE2 LYS 17 -3.111 13.768 2.703 133 HE3 LYS 17 HE1 LYS 17 -2.480 14.373 1.165 134 HZ1 LYS 17 HZ1 LYS 17 -0.749 13.207 3.271 135 HZ2 LYS 17 HZ2 LYS 17 -0.346 13.539 1.655 136 HZ3 LYS 17 HZ3 LYS 17 -1.429 12.281 2.022 137 H ASN 18 HN ASN 18 -4.122 18.898 -0.583 138 HA ASN 18 HA ASN 18 -2.256 20.785 0.356 139 HB2 ASN 18 HB2 ASN 18 -2.625 20.134 -2.053 140 HB3 ASN 18 HB1 ASN 18 -4.100 21.089 -2.036 141 HD21 ASN 18 HD21 ASN 18 -3.489 22.858 -3.351 142 HD22 ASN 18 HD22 ASN 18 -2.171 23.871 -3.010 143 H GLU 19 HN GLU 19 -5.771 21.034 -0.178 144 HA GLU 19 HA GLU 19 -6.048 23.763 0.469 145 HB2 GLU 19 HB2 GLU 19 -7.832 21.433 0.236 146 HB3 GLU 19 HB1 GLU 19 -8.420 22.724 1.271 147 HG2 GLU 19 HG2 GLU 19 -8.327 24.301 -0.477 148 HG3 GLU 19 HG1 GLU 19 -7.311 23.273 -1.480 149 H PHE 20 HN PHE 20 -6.317 20.840 2.482 150 HA PHE 20 HA PHE 20 -6.869 22.228 4.905 151 HB2 PHE 20 HB2 PHE 20 -5.730 19.476 4.357 152 HB3 PHE 20 HB1 PHE 20 -6.126 20.056 5.972 153 HD1 PHE 20 HD1 PHE 20 -7.388 18.389 3.116 154 HD2 PHE 20 HD2 PHE 20 -8.539 21.097 6.246 155 HE1 PHE 20 HE1 PHE 20 -9.767 17.794 2.758 156 HE2 PHE 20 HE2 PHE 20 -10.919 20.498 5.891 157 HZ PHE 20 HZ PHE 20 -11.534 18.846 4.145 158 H LYS 21 HN LYS 21 -3.883 21.157 3.341 159 HA LYS 21 HA LYS 21 -2.069 21.615 5.424 160 HB2 LYS 21 HB2 LYS 21 -1.527 20.535 3.229 161 HB3 LYS 21 HB1 LYS 21 -1.602 22.128 2.472 162 HG2 LYS 21 HG2 LYS 21 0.721 21.579 3.024 163 HG3 LYS 21 HG1 LYS 21 0.169 22.929 4.016 164 HD2 LYS 21 HD2 LYS 21 -0.181 21.500 5.922 165 HD3 LYS 21 HD1 LYS 21 0.059 20.048 4.934 166 HE2 LYS 21 HE2 LYS 21 2.115 20.430 6.143 167 HE3 LYS 21 HE1 LYS 21 2.410 20.877 4.463 168 HZ1 LYS 21 HZ1 LYS 21 1.406 22.986 6.190 169 HZ2 LYS 21 HZ2 LYS 21 2.589 23.046 4.973 170 HZ3 LYS 21 HZ3 LYS 21 2.983 22.456 6.516 171 H ALA 22 HN ALA 22 -3.388 23.848 2.985 172 HA ALA 22 HA ALA 22 -1.880 26.129 3.703 173 HB1 ALA 22 HB1 ALA 22 -4.663 25.883 2.535 174 HB2 ALA 22 HB2 ALA 22 -3.153 26.089 1.641 175 HB3 ALA 22 HB3 ALA 22 -3.763 27.397 2.653 176 H ALA 23 HN ALA 23 -4.966 24.830 4.891 177 HA ALA 23 HA ALA 23 -5.644 26.958 6.627 178 HB1 ALA 23 HB1 ALA 23 -7.431 25.569 6.500 179 HB2 ALA 23 HB2 ALA 23 -6.681 24.806 7.902 180 HB3 ALA 23 HB3 ALA 23 -6.432 24.135 6.290 181 H PHE 24 HN PHE 24 -3.602 24.109 7.061 182 HA PHE 24 HA PHE 24 -3.186 24.254 9.812 183 HB2 PHE 24 HB2 PHE 24 -2.349 22.326 8.837 184 HB3 PHE 24 HB1 PHE 24 -1.560 23.197 7.535 185 HD1 PHE 24 HD1 PHE 24 -1.447 22.674 11.249 186 HD2 PHE 24 HD2 PHE 24 0.706 23.806 7.700 187 HE1 PHE 24 HE1 PHE 24 0.653 22.740 12.545 188 HE2 PHE 24 HE2 PHE 24 2.814 23.864 9.006 189 HZ PHE 24 HZ PHE 24 2.787 23.330 11.427 190 H ASP 25 HN ASP 25 -1.351 25.741 7.143 191 HA ASP 25 HA ASP 25 0.564 27.067 8.744 192 HB2 ASP 25 HB2 ASP 25 0.774 26.727 6.292 193 HB3 ASP 25 HB1 ASP 25 -0.504 27.912 6.047 194 H ILE 26 HN ILE 26 -2.627 28.041 7.566 195 HA ILE 26 HA ILE 26 -2.575 30.732 8.332 196 HB ILE 26 HB ILE 26 -4.744 28.711 7.945 197 HG12 ILE 26 HG12 ILE 26 -5.257 31.047 6.536 198 HG13 ILE 26 HG11 ILE 26 -3.501 30.927 6.505 199 HG21 ILE 26 HG21 ILE 26 -4.905 31.113 9.613 200 HG22 ILE 26 HG22 ILE 26 -6.045 29.776 9.451 201 HG23 ILE 26 HG23 ILE 26 -6.078 31.108 8.296 202 HD11 ILE 26 HD11 ILE 26 -5.355 29.486 4.920 203 HD12 ILE 26 HD12 ILE 26 -4.647 28.336 6.045 204 HD13 ILE 26 HD13 ILE 26 -3.604 29.276 4.984 205 H PHE 27 HN PHE 27 -3.584 27.862 10.171 206 HA PHE 27 HA PHE 27 -4.365 29.200 12.517 207 HB2 PHE 27 HB2 PHE 27 -3.534 26.418 11.837 208 HB3 PHE 27 HB1 PHE 27 -3.590 26.883 13.534 209 HD1 PHE 27 HD1 PHE 27 -5.620 26.902 10.420 210 HD2 PHE 27 HD2 PHE 27 -5.612 26.981 14.701 211 HE1 PHE 27 HE1 PHE 27 -8.088 26.664 10.432 212 HE2 PHE 27 HE2 PHE 27 -8.080 26.753 14.722 213 HZ PHE 27 HZ PHE 27 -9.318 26.595 12.586 214 H VAL 28 HN VAL 28 -1.227 27.927 11.471 215 HA VAL 28 HA VAL 28 0.032 29.168 13.829 216 HB VAL 28 HB VAL 28 1.994 27.732 13.243 217 HG11 VAL 28 HG11 VAL 28 0.413 25.530 13.604 218 HG12 VAL 28 HG12 VAL 28 -0.671 26.821 14.123 219 HG13 VAL 28 HG13 VAL 28 0.897 26.628 14.893 220 HG21 VAL 28 HG21 VAL 28 0.557 27.439 10.839 221 HG22 VAL 28 HG22 VAL 28 0.478 25.864 11.628 222 HG23 VAL 28 HG23 VAL 28 2.043 26.605 11.291 223 H LEU 29 HN LEU 29 -0.860 30.512 11.308 224 HA LEU 29 HA LEU 29 1.279 31.125 9.615 225 HB2 LEU 29 HB2 LEU 29 -1.328 31.866 9.719 226 HB3 LEU 29 HB1 LEU 29 -0.558 33.348 10.276 227 HG LEU 29 HG LEU 29 0.918 32.271 8.047 228 HD11 LEU 29 HD11 LEU 29 -2.071 32.635 7.681 229 HD12 LEU 29 HD12 LEU 29 -1.102 31.213 7.286 230 HD13 LEU 29 HD13 LEU 29 -0.921 32.691 6.343 231 HD21 LEU 29 HD21 LEU 29 -0.621 34.782 8.691 232 HD22 LEU 29 HD22 LEU 29 0.112 34.554 7.103 233 HD23 LEU 29 HD23 LEU 29 1.125 34.570 8.548 234 H GLY 30 HN GLY 30 3.233 31.674 10.392 235 HA2 GLY 30 HA2 GLY 30 4.690 33.457 11.049 236 HA3 GLY 30 HA1 GLY 30 3.405 34.086 12.075 237 H ALA 31 HN ALA 31 3.119 30.970 12.693 238 HA ALA 31 HA ALA 31 4.353 31.074 15.236 239 HB1 ALA 31 HB1 ALA 31 3.916 28.367 14.218 240 HB2 ALA 31 HB2 ALA 31 2.518 29.417 13.973 241 HB3 ALA 31 HB3 ALA 31 3.171 29.185 15.594 242 H GLU 32 HN GLU 32 6.363 30.623 15.881 243 HA GLU 32 HA GLU 32 8.442 30.157 14.014 244 HB2 GLU 32 HB2 GLU 32 8.795 31.328 16.154 245 HB3 GLU 32 HB1 GLU 32 8.472 29.827 17.021 246 HG2 GLU 32 HG2 GLU 32 10.387 28.753 15.940 247 HG3 GLU 32 HG1 GLU 32 10.691 30.208 14.990 248 H ASP 33 HN ASP 33 6.799 28.051 16.354 249 HA ASP 33 HA ASP 33 8.372 25.742 15.610 250 HB2 ASP 33 HB2 ASP 33 6.827 24.529 17.118 251 HB3 ASP 33 HB1 ASP 33 7.532 25.948 17.891 252 H GLY 34 HN GLY 34 5.426 27.233 14.580 253 HA2 GLY 34 HA2 GLY 34 4.174 26.779 12.678 254 HA3 GLY 34 HA1 GLY 34 5.176 25.362 12.396 255 H SER 35 HN SER 35 4.225 25.226 15.550 256 HA SER 35 HA SER 35 2.185 23.233 14.944 257 HB2 SER 35 HB2 SER 35 2.381 22.669 17.335 258 HB3 SER 35 HB1 SER 35 3.923 22.606 16.528 259 HG SER 35 HG SER 35 4.395 23.842 18.214 260 H ILE 36 HN ILE 36 0.055 23.436 15.386 261 HA ILE 36 HA ILE 36 -0.946 26.064 15.970 262 HB ILE 36 HB ILE 36 -2.371 23.428 15.591 263 HG12 ILE 36 HG12 ILE 36 -2.125 25.772 13.706 264 HG13 ILE 36 HG11 ILE 36 -1.065 24.367 13.641 265 HG21 ILE 36 HG21 ILE 36 -3.333 26.237 16.055 266 HG22 ILE 36 HG22 ILE 36 -3.938 24.724 16.759 267 HG23 ILE 36 HG23 ILE 36 -4.294 25.123 15.073 268 HD11 ILE 36 HD11 ILE 36 -2.686 23.021 12.769 269 HD12 ILE 36 HD12 ILE 36 -3.405 24.551 12.263 270 HD13 ILE 36 HD13 ILE 36 -3.960 23.758 13.741 271 H SER 37 HN SER 37 -0.914 26.818 17.986 272 HA SER 37 HA SER 37 -1.600 24.980 20.192 273 HB2 SER 37 HB2 SER 37 -0.131 26.085 21.530 274 HB3 SER 37 HB1 SER 37 0.592 26.572 20.002 275 HG SER 37 HG SER 37 -1.078 28.353 20.166 276 H THR 38 HN THR 38 -2.528 26.482 22.115 277 HA THR 38 HA THR 38 -5.150 27.170 21.385 278 HB THR 38 HB THR 38 -5.071 28.405 23.660 279 HG1 THR 38 HG1 THR 38 -3.021 28.668 24.151 280 HG21 THR 38 HG21 THR 38 -4.340 25.680 24.307 281 HG22 THR 38 HG22 THR 38 -5.396 25.728 22.878 282 HG23 THR 38 HG23 THR 38 -5.918 26.469 24.404 283 H LYS 39 HN LYS 39 -2.209 28.993 21.298 284 HA LYS 39 HA LYS 39 -3.554 31.567 21.076 285 HB2 LYS 39 HB2 LYS 39 -0.780 30.609 21.324 286 HB3 LYS 39 HB1 LYS 39 -0.982 32.017 20.280 287 HG2 LYS 39 HG2 LYS 39 -2.247 31.864 23.021 288 HG3 LYS 39 HG1 LYS 39 -0.617 32.492 22.776 289 HD2 LYS 39 HD2 LYS 39 -1.388 34.443 21.944 290 HD3 LYS 39 HD1 LYS 39 -2.529 33.624 20.878 291 HE2 LYS 39 HE2 LYS 39 -3.822 34.934 22.434 292 HE3 LYS 39 HE1 LYS 39 -3.998 33.243 22.902 293 HZ1 LYS 39 HZ1 LYS 39 -3.295 35.181 24.588 294 HZ2 LYS 39 HZ2 LYS 39 -1.760 34.641 24.096 295 HZ3 LYS 39 HZ3 LYS 39 -2.862 33.554 24.794 296 H GLU 40 HN GLU 40 -1.659 29.403 18.974 297 HA GLU 40 HA GLU 40 -2.098 30.958 16.613 298 HB2 GLU 40 HB2 GLU 40 -1.100 28.159 17.060 299 HB3 GLU 40 HB1 GLU 40 -1.252 28.859 15.459 300 HG2 GLU 40 HG2 GLU 40 0.962 29.371 16.012 301 HG3 GLU 40 HG1 GLU 40 0.108 30.832 16.490 302 H LEU 41 HN LEU 41 -3.918 28.613 18.339 303 HA LEU 41 HA LEU 41 -5.557 27.821 16.091 304 HB2 LEU 41 HB2 LEU 41 -5.083 26.248 17.939 305 HB3 LEU 41 HB1 LEU 41 -5.950 27.313 19.048 306 HG LEU 41 HG LEU 41 -7.375 26.511 16.554 307 HD11 LEU 41 HD11 LEU 41 -6.275 24.598 18.465 308 HD12 LEU 41 HD12 LEU 41 -7.074 24.302 16.922 309 HD13 LEU 41 HD13 LEU 41 -8.035 24.512 18.386 310 HD21 LEU 41 HD21 LEU 41 -8.601 26.276 19.235 311 HD22 LEU 41 HD22 LEU 41 -9.203 27.089 17.788 312 HD23 LEU 41 HD23 LEU 41 -8.027 27.892 18.827 313 H GLY 42 HN GLY 42 -6.006 29.718 19.065 314 HA2 GLY 42 HA2 GLY 42 -8.677 30.461 18.617 315 HA3 GLY 42 HA1 GLY 42 -7.550 31.342 19.621 316 H LYS 43 HN LYS 43 -5.634 31.928 17.553 317 HA LYS 43 HA LYS 43 -6.449 34.380 16.605 318 HB2 LYS 43 HB2 LYS 43 -4.714 34.010 14.780 319 HB3 LYS 43 HB1 LYS 43 -4.149 33.813 16.439 320 HG2 LYS 43 HG2 LYS 43 -3.449 31.766 15.875 321 HG3 LYS 43 HG1 LYS 43 -5.128 31.291 15.697 322 HD2 LYS 43 HD2 LYS 43 -4.308 30.785 13.579 323 HD3 LYS 43 HD1 LYS 43 -4.864 32.441 13.327 324 HE2 LYS 43 HE2 LYS 43 -2.116 32.233 14.377 325 HE3 LYS 43 HE1 LYS 43 -2.329 31.557 12.761 326 HZ1 LYS 43 HZ1 LYS 43 -3.147 34.280 13.619 327 HZ2 LYS 43 HZ2 LYS 43 -3.355 33.628 12.064 328 HZ3 LYS 43 HZ3 LYS 43 -1.792 33.909 12.669 329 H VAL 44 HN VAL 44 -6.399 31.372 14.662 330 HA VAL 44 HA VAL 44 -7.895 32.427 12.469 331 HB VAL 44 HB VAL 44 -7.151 29.670 13.425 332 HG11 VAL 44 HG11 VAL 44 -9.336 29.199 12.715 333 HG12 VAL 44 HG12 VAL 44 -8.357 28.914 11.273 334 HG13 VAL 44 HG13 VAL 44 -9.279 30.416 11.434 335 HG21 VAL 44 HG21 VAL 44 -6.849 30.940 10.710 336 HG22 VAL 44 HG22 VAL 44 -5.899 29.633 11.419 337 HG23 VAL 44 HG23 VAL 44 -5.708 31.284 12.011 338 H MET 45 HN MET 45 -8.784 30.953 15.546 339 HA MET 45 HA MET 45 -11.490 30.355 15.000 340 HB2 MET 45 HB2 MET 45 -10.101 31.192 17.556 341 HB3 MET 45 HB1 MET 45 -11.765 30.639 17.491 342 HG2 MET 45 HG2 MET 45 -9.469 29.027 16.397 343 HG3 MET 45 HG1 MET 45 -10.062 28.847 18.050 344 HE1 MET 45 HE1 MET 45 -12.298 27.376 18.642 345 HE2 MET 45 HE2 MET 45 -13.697 27.860 17.664 346 HE3 MET 45 HE3 MET 45 -12.635 29.092 18.350 347 H ARG 46 HN ARG 46 -9.912 33.338 16.150 348 HA ARG 46 HA ARG 46 -12.307 34.882 16.409 349 HB2 ARG 46 HB2 ARG 46 -9.416 35.668 16.069 350 HB3 ARG 46 HB1 ARG 46 -10.724 36.821 16.341 351 HG2 ARG 46 HG2 ARG 46 -11.120 36.080 18.508 352 HG3 ARG 46 HG1 ARG 46 -10.444 34.481 18.194 353 HD2 ARG 46 HD2 ARG 46 -8.927 35.811 19.610 354 HD3 ARG 46 HD1 ARG 46 -8.194 35.451 18.052 355 HE ARG 46 HE ARG 46 -9.559 38.036 18.420 356 HH11 ARG 46 HH11 ARG 46 -6.691 36.148 17.958 357 HH12 ARG 46 HH12 ARG 46 -5.706 37.500 17.528 358 HH21 ARG 46 HH21 ARG 46 -8.264 39.815 17.857 359 HH22 ARG 46 HH22 ARG 46 -6.593 39.576 17.470 360 H MET 47 HN MET 47 -10.127 34.152 13.772 361 HA MET 47 HA MET 47 -10.914 36.137 11.947 362 HB2 MET 47 HB2 MET 47 -9.936 33.315 11.505 363 HB3 MET 47 HB1 MET 47 -10.163 34.470 10.210 364 HG2 MET 47 HG2 MET 47 -8.712 36.004 11.865 365 HG3 MET 47 HG1 MET 47 -8.108 34.413 12.331 366 HE1 MET 47 HE1 MET 47 -7.821 32.877 8.845 367 HE2 MET 47 HE2 MET 47 -8.238 32.681 10.546 368 HE3 MET 47 HE3 MET 47 -6.543 32.759 10.065 369 H LEU 48 HN LEU 48 -12.327 33.013 12.790 370 HA LEU 48 HA LEU 48 -14.403 33.263 10.750 371 HB2 LEU 48 HB2 LEU 48 -14.081 31.186 12.919 372 HB3 LEU 48 HB1 LEU 48 -15.155 31.098 11.522 373 HG LEU 48 HG LEU 48 -12.137 31.298 11.369 374 HD11 LEU 48 HD11 LEU 48 -12.611 29.131 12.173 375 HD12 LEU 48 HD12 LEU 48 -12.460 28.947 10.423 376 HD13 LEU 48 HD13 LEU 48 -14.057 28.990 11.168 377 HD21 LEU 48 HD21 LEU 48 -12.961 32.238 9.378 378 HD22 LEU 48 HD22 LEU 48 -14.360 31.165 9.342 379 HD23 LEU 48 HD23 LEU 48 -12.759 30.540 8.957 380 H GLY 49 HN GLY 49 -13.892 34.612 13.712 381 HA2 GLY 49 HA2 GLY 49 -15.516 36.062 14.717 382 HA3 GLY 49 HA1 GLY 49 -16.780 34.963 14.176 383 H GLN 50 HN GLN 50 -14.252 33.129 15.288 384 HA GLN 50 HA GLN 50 -15.660 32.548 17.783 385 HB2 GLN 50 HB2 GLN 50 -13.224 31.181 16.629 386 HB3 GLN 50 HB1 GLN 50 -14.280 30.581 17.898 387 HG2 GLN 50 HG2 GLN 50 -15.053 31.089 14.996 388 HG3 GLN 50 HG1 GLN 50 -14.872 29.508 15.768 389 HE21 GLN 50 HE21 GLN 50 -16.296 29.462 17.990 390 HE22 GLN 50 HE22 GLN 50 -17.891 30.005 17.787 391 H ASN 51 HN ASN 51 -14.906 33.020 19.781 392 HA ASN 51 HA ASN 51 -12.170 34.065 20.027 393 HB2 ASN 51 HB2 ASN 51 -13.771 35.968 19.907 394 HB3 ASN 51 HB1 ASN 51 -14.619 35.299 21.299 395 HD21 ASN 51 HD21 ASN 51 -12.555 37.725 20.632 396 HD22 ASN 51 HD22 ASN 51 -11.615 37.736 22.045 397 HA PRO 52 HA PRO 52 -13.379 30.994 23.343 398 HB2 PRO 52 HB2 PRO 52 -11.635 29.022 22.680 399 HB3 PRO 52 HB1 PRO 52 -13.238 29.146 21.965 400 HG2 PRO 52 HG2 PRO 52 -10.605 29.909 20.840 401 HG3 PRO 52 HG1 PRO 52 -12.012 29.187 20.046 402 HD2 PRO 52 HD2 PRO 52 -11.372 31.867 19.896 403 HD3 PRO 52 HD1 PRO 52 -12.992 31.236 19.661 404 H THR 53 HN THR 53 -12.227 30.641 25.255 405 HA THR 53 HA THR 53 -9.824 32.241 25.608 406 HB THR 53 HB THR 53 -10.055 31.574 27.983 407 HG1 THR 53 HG1 THR 53 -11.115 29.818 28.325 408 HG21 THR 53 HG21 THR 53 -12.626 32.519 26.692 409 HG22 THR 53 HG22 THR 53 -11.248 33.543 27.100 410 HG23 THR 53 HG23 THR 53 -12.170 32.752 28.379 411 HA PRO 54 HA PRO 54 -6.649 29.268 25.322 412 HB2 PRO 54 HB2 PRO 54 -5.916 29.833 28.165 413 HB3 PRO 54 HB1 PRO 54 -4.926 29.940 26.701 414 HG2 PRO 54 HG2 PRO 54 -5.841 32.109 27.898 415 HG3 PRO 54 HG1 PRO 54 -5.718 32.024 26.145 416 HD2 PRO 54 HD2 PRO 54 -8.140 31.856 27.893 417 HD3 PRO 54 HD1 PRO 54 -7.968 32.551 26.265 418 H GLU 55 HN GLU 55 -8.440 29.157 28.406 419 HA GLU 55 HA GLU 55 -7.784 26.505 29.123 420 HB2 GLU 55 HB2 GLU 55 -10.146 28.246 29.785 421 HB3 GLU 55 HB1 GLU 55 -9.918 26.647 30.481 422 HG2 GLU 55 HG2 GLU 55 -7.709 27.368 31.322 423 HG3 GLU 55 HG1 GLU 55 -7.989 28.972 30.669 424 H GLU 56 HN GLU 56 -10.646 27.814 27.445 425 HA GLU 56 HA GLU 56 -11.797 25.265 26.890 426 HB2 GLU 56 HB2 GLU 56 -12.283 28.051 25.974 427 HB3 GLU 56 HB1 GLU 56 -13.003 26.726 25.061 428 HG2 GLU 56 HG2 GLU 56 -14.661 27.125 26.638 429 HG3 GLU 56 HG1 GLU 56 -13.715 25.888 27.459 430 H LEU 57 HN LEU 57 -9.680 27.447 25.109 431 HA LEU 57 HA LEU 57 -9.672 26.085 22.652 432 HB2 LEU 57 HB2 LEU 57 -7.799 27.977 23.943 433 HB3 LEU 57 HB1 LEU 57 -7.355 27.197 22.446 434 HG LEU 57 HG LEU 57 -9.856 28.826 22.925 435 HD11 LEU 57 HD11 LEU 57 -8.517 30.035 20.908 436 HD12 LEU 57 HD12 LEU 57 -7.166 29.426 21.889 437 HD13 LEU 57 HD13 LEU 57 -8.365 30.506 22.608 438 HD21 LEU 57 HD21 LEU 57 -9.217 26.827 20.982 439 HD22 LEU 57 HD22 LEU 57 -9.269 28.400 20.167 440 HD23 LEU 57 HD23 LEU 57 -10.673 27.820 21.080 441 H GLN 58 HN GLN 58 -7.734 25.712 25.563 442 HA GLN 58 HA GLN 58 -5.812 23.926 24.576 443 HB2 GLN 58 HB2 GLN 58 -5.760 25.076 26.812 444 HB3 GLN 58 HB1 GLN 58 -6.982 23.931 27.369 445 HG2 GLN 58 HG2 GLN 58 -5.279 22.146 26.413 446 HG3 GLN 58 HG1 GLN 58 -4.114 23.444 26.650 447 HE21 GLN 58 HE21 GLN 58 -4.975 24.645 29.006 448 HE22 GLN 58 HE22 GLN 58 -4.942 23.523 30.278 449 H GLU 59 HN GLU 59 -9.049 23.369 25.931 450 HA GLU 59 HA GLU 59 -8.923 20.537 25.985 451 HB2 GLU 59 HB2 GLU 59 -11.193 22.510 25.797 452 HB3 GLU 59 HB1 GLU 59 -11.489 20.771 25.778 453 HG2 GLU 59 HG2 GLU 59 -10.076 20.653 27.904 454 HG3 GLU 59 HG1 GLU 59 -10.188 22.412 27.961 455 H MET 60 HN MET 60 -10.211 22.738 23.511 456 HA MET 60 HA MET 60 -10.911 20.721 21.647 457 HB2 MET 60 HB2 MET 60 -10.673 22.720 19.994 458 HB3 MET 60 HB1 MET 60 -11.940 22.765 21.222 459 HG2 MET 60 HG2 MET 60 -9.914 23.890 22.620 460 HG3 MET 60 HG1 MET 60 -9.457 24.384 21.002 461 HE1 MET 60 HE1 MET 60 -12.264 23.556 23.087 462 HE2 MET 60 HE2 MET 60 -13.631 24.439 22.415 463 HE3 MET 60 HE3 MET 60 -12.708 25.137 23.744 464 H ILE 61 HN ILE 61 -7.947 22.509 22.249 465 HA ILE 61 HA ILE 61 -6.521 21.761 19.911 466 HB ILE 61 HB ILE 61 -5.605 22.474 22.707 467 HG12 ILE 61 HG12 ILE 61 -6.246 23.916 20.198 468 HG13 ILE 61 HG11 ILE 61 -6.290 24.489 21.842 469 HG21 ILE 61 HG21 ILE 61 -3.946 22.133 20.183 470 HG22 ILE 61 HG22 ILE 61 -3.952 21.000 21.541 471 HG23 ILE 61 HG23 ILE 61 -3.359 22.654 21.764 472 HD11 ILE 61 HD11 ILE 61 -3.835 24.655 21.860 473 HD12 ILE 61 HD12 ILE 61 -4.550 25.641 20.586 474 HD13 ILE 61 HD13 ILE 61 -3.799 24.102 20.183 475 H ASP 62 HN ASP 62 -6.717 20.293 23.169 476 HA ASP 62 HA ASP 62 -4.961 18.145 22.698 477 HB2 ASP 62 HB2 ASP 62 -5.605 18.748 24.942 478 HB3 ASP 62 HB1 ASP 62 -7.292 18.388 24.594 479 H GLU 63 HN GLU 63 -8.327 18.640 21.919 480 HA GLU 63 HA GLU 63 -9.298 16.100 21.532 481 HB2 GLU 63 HB2 GLU 63 -10.295 18.497 20.983 482 HB3 GLU 63 HB1 GLU 63 -9.767 18.096 19.354 483 HG2 GLU 63 HG2 GLU 63 -11.880 17.166 19.317 484 HG3 GLU 63 HG1 GLU 63 -10.952 15.787 19.905 485 H VAL 64 HN VAL 64 -7.061 17.901 19.465 486 HA VAL 64 HA VAL 64 -6.735 15.477 17.802 487 HB VAL 64 HB VAL 64 -5.673 17.242 16.188 488 HG11 VAL 64 HG11 VAL 64 -8.644 16.988 16.756 489 HG12 VAL 64 HG12 VAL 64 -7.687 16.020 15.624 490 HG13 VAL 64 HG13 VAL 64 -7.984 17.726 15.293 491 HG21 VAL 64 HG21 VAL 64 -7.507 18.967 17.881 492 HG22 VAL 64 HG22 VAL 64 -6.661 19.470 16.418 493 HG23 VAL 64 HG23 VAL 64 -5.745 19.074 17.874 494 H ASP 65 HN ASP 65 -5.255 17.590 20.028 495 HA ASP 65 HA ASP 65 -2.535 16.965 19.209 496 HB2 ASP 65 HB2 ASP 65 -3.117 19.210 20.084 497 HB3 ASP 65 HB1 ASP 65 -3.498 18.469 21.635 498 H GLU 66 HN GLU 66 -2.829 14.621 19.483 499 HA GLU 66 HA GLU 66 -3.323 13.515 22.072 500 HB2 GLU 66 HB2 GLU 66 -3.148 12.534 19.467 501 HB3 GLU 66 HB1 GLU 66 -1.844 11.748 20.346 502 HG2 GLU 66 HG2 GLU 66 -3.451 11.083 22.105 503 HG3 GLU 66 HG1 GLU 66 -4.750 11.849 21.192 504 H ASP 67 HN ASP 67 -0.656 15.049 20.696 505 HA ASP 67 HA ASP 67 1.427 13.538 21.979 506 HB2 ASP 67 HB2 ASP 67 1.430 16.338 20.816 507 HB3 ASP 67 HB1 ASP 67 2.864 15.441 21.313 508 H GLY 68 HN GLY 68 -0.870 15.774 23.072 509 HA2 GLY 68 HA2 GLY 68 -1.215 16.705 25.149 510 HA3 GLY 68 HA1 GLY 68 0.151 15.757 25.731 511 H SER 69 HN SER 69 0.864 17.669 23.013 512 HA SER 69 HA SER 69 2.584 19.383 24.611 513 HB2 SER 69 HB2 SER 69 3.422 20.161 22.424 514 HB3 SER 69 HB1 SER 69 3.433 18.399 22.522 515 HG SER 69 HG SER 69 1.188 18.718 21.564 516 H GLY 70 HN GLY 70 -0.589 19.493 23.605 517 HA2 GLY 70 HA2 GLY 70 -2.168 21.174 23.730 518 HA3 GLY 70 HA1 GLY 70 -0.914 22.234 24.372 519 H THR 71 HN THR 71 -0.180 20.647 21.417 520 HA THR 71 HA THR 71 -1.029 22.969 19.823 521 HB THR 71 HB THR 71 1.341 22.598 18.693 522 HG1 THR 71 HG1 THR 71 2.863 22.132 20.326 523 HG21 THR 71 HG21 THR 71 2.235 24.318 20.391 524 HG22 THR 71 HG22 THR 71 0.654 24.174 21.161 525 HG23 THR 71 HG23 THR 71 0.774 24.746 19.497 526 H VAL 72 HN VAL 72 -2.052 22.307 18.065 527 HA VAL 72 HA VAL 72 -1.864 19.534 17.212 528 HB VAL 72 HB VAL 72 -4.090 19.979 17.061 529 HG11 VAL 72 HG11 VAL 72 -4.324 22.052 18.055 530 HG12 VAL 72 HG12 VAL 72 -4.753 22.481 16.399 531 HG13 VAL 72 HG13 VAL 72 -3.138 22.807 17.004 532 HG21 VAL 72 HG21 VAL 72 -4.740 20.393 14.851 533 HG22 VAL 72 HG22 VAL 72 -3.075 19.851 14.660 534 HG23 VAL 72 HG23 VAL 72 -3.458 21.572 14.586 535 H ASP 73 HN ASP 73 -0.422 18.965 15.732 536 HA ASP 73 HA ASP 73 0.822 20.938 14.001 537 HB2 ASP 73 HB2 ASP 73 2.232 19.090 13.266 538 HB3 ASP 73 HB1 ASP 73 2.135 19.091 15.027 539 H PHE 74 HN PHE 74 1.274 19.576 11.679 540 HA PHE 74 HA PHE 74 -0.986 20.154 10.154 541 HB2 PHE 74 HB2 PHE 74 1.042 20.046 8.977 542 HB3 PHE 74 HB1 PHE 74 1.448 18.463 9.641 543 HD1 PHE 74 HD1 PHE 74 -1.945 19.310 8.474 544 HD2 PHE 74 HD2 PHE 74 1.772 17.397 7.468 545 HE1 PHE 74 HE1 PHE 74 -3.035 18.202 6.529 546 HE2 PHE 74 HE2 PHE 74 0.685 16.302 5.527 547 HZ PHE 74 HZ PHE 74 -1.716 16.706 5.060 548 H ASP 75 HN ASP 75 0.233 16.969 11.210 549 HA ASP 75 HA ASP 75 -1.919 15.471 10.142 550 HB2 ASP 75 HB2 ASP 75 0.064 14.899 12.326 551 HB3 ASP 75 HB1 ASP 75 -1.141 13.729 11.794 552 H GLU 76 HN GLU 76 -1.338 16.859 13.344 553 HA GLU 76 HA GLU 76 -3.630 15.779 14.604 554 HB2 GLU 76 HB2 GLU 76 -1.968 18.239 15.195 555 HB3 GLU 76 HB1 GLU 76 -3.280 17.685 16.233 556 HG2 GLU 76 HG2 GLU 76 -2.186 15.605 16.674 557 HG3 GLU 76 HG1 GLU 76 -0.989 15.889 15.413 558 H PHE 77 HN PHE 77 -3.061 18.834 12.894 559 HA PHE 77 HA PHE 77 -5.680 19.889 13.355 560 HB2 PHE 77 HB2 PHE 77 -4.757 21.733 12.470 561 HB3 PHE 77 HB1 PHE 77 -3.270 20.817 12.230 562 HD1 PHE 77 HD1 PHE 77 -6.505 21.746 10.656 563 HD2 PHE 77 HD2 PHE 77 -2.591 20.106 10.056 564 HE1 PHE 77 HE1 PHE 77 -6.834 21.844 8.202 565 HE2 PHE 77 HE2 PHE 77 -2.918 20.211 7.603 566 HZ PHE 77 HZ PHE 77 -5.042 21.073 6.688 567 H LEU 78 HN LEU 78 -4.146 18.123 10.686 568 HA LEU 78 HA LEU 78 -6.196 18.202 8.805 569 HB2 LEU 78 HB2 LEU 78 -3.781 17.012 8.884 570 HB3 LEU 78 HB1 LEU 78 -4.804 15.605 9.161 571 HG LEU 78 HG LEU 78 -4.393 15.976 6.743 572 HD11 LEU 78 HD11 LEU 78 -6.444 15.171 6.352 573 HD12 LEU 78 HD12 LEU 78 -7.190 16.715 6.756 574 HD13 LEU 78 HD13 LEU 78 -6.845 15.546 8.028 575 HD21 LEU 78 HD21 LEU 78 -4.766 17.971 5.700 576 HD22 LEU 78 HD22 LEU 78 -4.507 18.610 7.325 577 HD23 LEU 78 HD23 LEU 78 -6.144 18.368 6.726 578 H VAL 79 HN VAL 79 -5.806 16.144 11.661 579 HA VAL 79 HA VAL 79 -7.967 14.388 11.195 580 HB VAL 79 HB VAL 79 -6.606 15.322 13.699 581 HG11 VAL 79 HG11 VAL 79 -8.645 14.766 14.635 582 HG12 VAL 79 HG12 VAL 79 -7.902 13.167 14.566 583 HG13 VAL 79 HG13 VAL 79 -9.059 13.657 13.325 584 HG21 VAL 79 HG21 VAL 79 -5.135 13.778 12.911 585 HG22 VAL 79 HG22 VAL 79 -6.302 13.157 11.740 586 HG23 VAL 79 HG23 VAL 79 -6.339 12.584 13.407 587 H MET 80 HN MET 80 -7.757 17.473 12.954 588 HA MET 80 HA MET 80 -10.368 17.625 13.901 589 HB2 MET 80 HB2 MET 80 -9.952 19.856 14.321 590 HB3 MET 80 HB1 MET 80 -8.308 19.244 14.155 591 HG2 MET 80 HG2 MET 80 -8.861 19.791 11.582 592 HG3 MET 80 HG1 MET 80 -9.866 21.006 12.343 593 HE1 MET 80 HE1 MET 80 -7.304 22.700 14.761 594 HE2 MET 80 HE2 MET 80 -8.101 21.166 15.101 595 HE3 MET 80 HE3 MET 80 -9.005 22.468 14.329 596 H MET 81 HN MET 81 -9.100 18.341 10.696 597 HA MET 81 HA MET 81 -11.450 19.522 9.640 598 HB2 MET 81 HB2 MET 81 -9.126 18.144 8.334 599 HB3 MET 81 HB1 MET 81 -10.412 18.923 7.433 600 HG2 MET 81 HG2 MET 81 -8.759 20.315 9.516 601 HG3 MET 81 HG1 MET 81 -8.423 20.395 7.796 602 HE1 MET 81 HE1 MET 81 -9.281 23.004 9.924 603 HE2 MET 81 HE2 MET 81 -9.764 23.891 8.479 604 HE3 MET 81 HE3 MET 81 -8.367 22.821 8.421 605 H VAL 82 HN VAL 82 -10.147 16.239 9.415 606 HA VAL 82 HA VAL 82 -12.384 15.165 8.014 607 HB VAL 82 HB VAL 82 -10.756 13.636 7.704 608 HG11 VAL 82 HG11 VAL 82 -9.632 14.817 10.225 609 HG12 VAL 82 HG12 VAL 82 -8.961 14.854 8.603 610 HG13 VAL 82 HG13 VAL 82 -8.925 13.360 9.541 611 HG21 VAL 82 HG21 VAL 82 -11.286 12.808 10.576 612 HG22 VAL 82 HG22 VAL 82 -10.827 11.771 9.210 613 HG23 VAL 82 HG23 VAL 82 -12.432 12.506 9.261 614 H ARG 83 HN ARG 83 -11.658 15.714 11.362 615 HA ARG 83 HA ARG 83 -13.475 13.930 12.542 616 HB2 ARG 83 HB2 ARG 83 -12.285 16.532 13.421 617 HB3 ARG 83 HB1 ARG 83 -13.454 15.694 14.427 618 HG2 ARG 83 HG2 ARG 83 -11.893 13.628 13.946 619 HG3 ARG 83 HG1 ARG 83 -10.689 14.868 13.667 620 HD2 ARG 83 HD2 ARG 83 -10.439 14.551 15.955 621 HD3 ARG 83 HD1 ARG 83 -11.640 15.839 15.939 622 HE ARG 83 HE ARG 83 -12.665 13.099 15.972 623 HH11 ARG 83 HH11 ARG 83 -11.848 16.004 17.666 624 HH12 ARG 83 HH12 ARG 83 -12.842 15.647 19.039 625 HH21 ARG 83 HH21 ARG 83 -13.970 12.624 17.770 626 HH22 ARG 83 HH22 ARG 83 -14.044 13.732 19.097 627 H SER 84 HN SER 84 -13.853 17.318 11.537 628 HA SER 84 HA SER 84 -16.634 17.425 12.269 629 HB2 SER 84 HB2 SER 84 -15.009 19.282 10.520 630 HB3 SER 84 HB1 SER 84 -16.613 19.617 11.174 631 HG SER 84 HG SER 84 -15.562 19.155 13.284 632 H MET 85 HN MET 85 -14.791 16.786 9.347 633 HA MET 85 HA MET 85 -16.917 16.959 7.497 634 HB2 MET 85 HB2 MET 85 -14.312 15.434 7.454 635 HB3 MET 85 HB1 MET 85 -15.430 15.449 6.089 636 HG2 MET 85 HG2 MET 85 -15.314 17.985 6.204 637 HG3 MET 85 HG1 MET 85 -13.992 17.806 7.326 638 HE1 MET 85 HE1 MET 85 -11.111 16.453 5.533 639 HE2 MET 85 HE2 MET 85 -12.246 15.265 6.169 640 HE3 MET 85 HE3 MET 85 -11.984 16.780 7.037 641 H LYS 86 HN LYS 86 -15.647 14.269 9.420 642 HA LYS 86 HA LYS 86 -17.351 12.296 8.263 643 HB2 LYS 86 HB2 LYS 86 -15.132 12.150 9.775 644 HB3 LYS 86 HB1 LYS 86 -16.347 11.924 11.034 645 HG2 LYS 86 HG2 LYS 86 -16.151 9.733 10.356 646 HG3 LYS 86 HG1 LYS 86 -17.370 10.260 9.193 647 HD2 LYS 86 HD2 LYS 86 -15.100 11.001 7.891 648 HD3 LYS 86 HD1 LYS 86 -14.515 9.585 8.765 649 HE2 LYS 86 HE2 LYS 86 -15.402 8.396 7.047 650 HE3 LYS 86 HE1 LYS 86 -16.951 8.714 7.828 651 HZ1 LYS 86 HZ1 LYS 86 -15.792 10.681 5.966 652 HZ2 LYS 86 HZ2 LYS 86 -17.418 10.448 6.401 653 HZ3 LYS 86 HZ3 LYS 86 -16.646 9.342 5.368 654 H ASP 87 HN ASP 87 -17.509 14.269 11.205 655 HA ASP 87 HA ASP 87 -19.180 14.161 12.888 656 HB2 ASP 87 HB2 ASP 87 -21.193 15.367 11.885 657 HB3 ASP 87 HB1 ASP 87 -19.635 16.174 11.725 658 H ASP 88 HN ASP 88 -19.294 11.768 12.981 659 HA ASP 88 HA ASP 88 -21.109 10.249 11.459 660 HB2 ASP 88 HB2 ASP 88 -19.988 9.865 14.236 661 HB3 ASP 88 HB1 ASP 88 -21.024 8.676 13.449 662 H SER 89 HN SER 89 -21.511 12.050 14.477 663 HA SER 89 HA SER 89 -23.524 11.877 15.842 664 HB2 SER 89 HB2 SER 89 -23.692 13.833 13.555 665 HB3 SER 89 HB1 SER 89 -24.907 13.783 14.828 666 HG SER 89 HG SER 89 -22.234 13.780 15.605 667 H LYS 90 HN LYS 90 -25.363 12.830 13.114 668 HA LYS 90 HA LYS 90 -26.648 10.173 12.969 669 HB2 LYS 90 HB2 LYS 90 -27.781 12.647 13.925 670 HB3 LYS 90 HB1 LYS 90 -28.639 12.102 12.484 671 HG2 LYS 90 HG2 LYS 90 -27.979 10.062 14.564 672 HG3 LYS 90 HG1 LYS 90 -29.288 11.193 14.907 673 HD2 LYS 90 HD2 LYS 90 -29.087 9.515 12.391 674 HD3 LYS 90 HD1 LYS 90 -30.084 9.109 13.787 675 HE2 LYS 90 HE2 LYS 90 -31.189 11.382 13.520 676 HE3 LYS 90 HE1 LYS 90 -30.345 11.520 11.973 677 HZ1 LYS 90 HZ1 LYS 90 -31.555 8.997 12.108 678 HZ2 LYS 90 HZ2 LYS 90 -31.902 10.276 11.046 679 HZ3 LYS 90 HZ3 LYS 90 -32.721 10.154 12.530 680 H GLY 136 HN GLY 136 -27.721 13.100 11.369 681 HA2 GLY 136 HA2 GLY 136 -27.638 13.775 9.162 682 HA3 GLY 136 HA1 GLY 136 -26.345 12.609 8.899 683 H LYS 137 HN LYS 137 -27.355 12.086 6.867 684 HA LYS 137 HA LYS 137 -28.459 10.454 5.638 685 HB2 LYS 137 HB2 LYS 137 -28.812 9.530 8.267 686 HB3 LYS 137 HB1 LYS 137 -30.421 9.554 7.555 687 HG2 LYS 137 HG2 LYS 137 -29.679 8.226 5.671 688 HG3 LYS 137 HG1 LYS 137 -28.007 8.304 6.229 689 HD2 LYS 137 HD2 LYS 137 -28.335 6.521 7.559 690 HD3 LYS 137 HD1 LYS 137 -29.665 7.347 8.374 691 HE2 LYS 137 HE2 LYS 137 -31.279 6.436 6.952 692 HE3 LYS 137 HE1 LYS 137 -30.115 6.133 5.662 693 HZ1 LYS 137 HZ1 LYS 137 -29.606 4.151 6.503 694 HZ2 LYS 137 HZ2 LYS 137 -31.009 4.300 7.450 695 HZ3 LYS 137 HZ3 LYS 137 -29.498 4.738 8.091 696 H PHE 138 HN PHE 138 -31.167 10.982 7.806 697 HA PHE 138 HA PHE 138 -32.593 12.325 5.626 698 HB2 PHE 138 HB2 PHE 138 -33.513 10.912 8.123 699 HB3 PHE 138 HB1 PHE 138 -34.602 11.877 7.128 700 HD1 PHE 138 HD1 PHE 138 -32.570 8.815 7.300 701 HD2 PHE 138 HD2 PHE 138 -35.170 11.193 4.845 702 HE1 PHE 138 HE1 PHE 138 -32.831 6.910 5.733 703 HE2 PHE 138 HE2 PHE 138 -35.433 9.289 3.277 704 HZ PHE 138 HZ PHE 138 -34.263 7.148 3.720 705 H LYS 139 HN LYS 139 -30.696 13.281 8.044 706 HA LYS 139 HA LYS 139 -32.319 15.697 8.572 707 HB2 LYS 139 HB2 LYS 139 -30.939 13.884 10.439 708 HB3 LYS 139 HB1 LYS 139 -30.604 15.597 10.698 709 HG2 LYS 139 HG2 LYS 139 -33.355 14.334 10.518 710 HG3 LYS 139 HG1 LYS 139 -32.581 14.924 11.988 711 HD2 LYS 139 HD2 LYS 139 -33.601 16.512 9.637 712 HD3 LYS 139 HD1 LYS 139 -33.972 16.716 11.348 713 HE2 LYS 139 HE2 LYS 139 -31.651 17.445 11.769 714 HE3 LYS 139 HE1 LYS 139 -31.278 17.241 10.057 715 HZ1 LYS 139 HZ1 LYS 139 -32.481 19.058 9.476 716 HZ2 LYS 139 HZ2 LYS 139 -32.013 19.547 11.034 717 HZ3 LYS 139 HZ3 LYS 139 -33.567 18.912 10.770 718 H ARG 140 HN ARG 140 -30.975 16.048 6.434 719 HA ARG 140 HA ARG 140 -29.218 17.079 5.362 720 HB2 ARG 140 HB2 ARG 140 -28.619 19.168 6.256 721 HB3 ARG 140 HB1 ARG 140 -30.226 18.871 6.913 722 HG2 ARG 140 HG2 ARG 140 -29.453 18.544 9.046 723 HG3 ARG 140 HG1 ARG 140 -27.932 17.844 8.507 724 HD2 ARG 140 HD2 ARG 140 -27.392 19.972 9.449 725 HD3 ARG 140 HD1 ARG 140 -27.272 20.145 7.697 726 HE ARG 140 HE ARG 140 -29.153 21.542 7.745 727 HH11 ARG 140 HH11 ARG 140 -28.572 20.019 10.797 728 HH12 ARG 140 HH12 ARG 140 -29.695 21.011 11.663 729 HH21 ARG 140 HH21 ARG 140 -30.630 22.848 8.874 730 HH22 ARG 140 HH22 ARG 140 -30.860 22.613 10.574 731 HA PRO 141 HA PRO 141 -25.267 15.442 6.324 732 HB2 PRO 141 HB2 PRO 141 -23.957 18.083 6.104 733 HB3 PRO 141 HB1 PRO 141 -23.752 16.636 5.105 734 HG2 PRO 141 HG2 PRO 141 -25.013 18.786 4.176 735 HG3 PRO 141 HG1 PRO 141 -25.525 17.144 3.745 736 HD2 PRO 141 HD2 PRO 141 -26.748 19.029 5.749 737 HD3 PRO 141 HD1 PRO 141 -27.542 17.947 4.589 738 H THR 142 HN THR 142 -25.449 18.682 7.828 739 HA THR 142 HA THR 142 -25.625 18.457 10.389 740 HB THR 142 HB THR 142 -23.111 16.963 9.675 741 HG1 THR 142 HG1 THR 142 -24.386 15.995 11.742 742 HG21 THR 142 HG21 THR 142 -23.674 18.634 12.078 743 HG22 THR 142 HG22 THR 142 -22.141 18.311 11.266 744 HG23 THR 142 HG23 THR 142 -22.862 17.089 12.312 745 H LEU 143 HN LEU 143 -24.584 20.056 11.687 746 HA LEU 143 HA LEU 143 -22.980 21.775 12.046 747 HB2 LEU 143 HB2 LEU 143 -22.723 21.808 9.035 748 HB3 LEU 143 HB1 LEU 143 -21.794 22.786 10.152 749 HG LEU 143 HG LEU 143 -21.802 19.750 10.116 750 HD11 LEU 143 HD11 LEU 143 -20.690 20.921 8.153 751 HD12 LEU 143 HD12 LEU 143 -19.633 19.885 9.113 752 HD13 LEU 143 HD13 LEU 143 -19.579 21.636 9.320 753 HD21 LEU 143 HD21 LEU 143 -20.569 19.827 12.022 754 HD22 LEU 143 HD22 LEU 143 -21.232 21.447 12.210 755 HD23 LEU 143 HD23 LEU 143 -19.651 21.228 11.473 756 H ARG 144 HN ARG 144 -23.767 23.714 12.576 757 HA ARG 144 HA ARG 144 -25.348 25.282 10.747 758 HB2 ARG 144 HB2 ARG 144 -26.937 23.537 11.786 759 HB3 ARG 144 HB1 ARG 144 -26.755 24.463 13.275 760 HG2 ARG 144 HG2 ARG 144 -27.458 26.516 12.051 761 HG3 ARG 144 HG1 ARG 144 -27.729 25.534 10.611 762 HD2 ARG 144 HD2 ARG 144 -29.858 25.752 11.681 763 HD3 ARG 144 HD1 ARG 144 -29.301 24.115 12.011 764 HE ARG 144 HE ARG 144 -29.063 24.689 14.266 765 HH11 ARG 144 HH11 ARG 144 -29.665 27.455 12.274 766 HH12 ARG 144 HH12 ARG 144 -29.954 28.523 13.606 767 HH21 ARG 144 HH21 ARG 144 -29.441 26.087 16.017 768 HH22 ARG 144 HH22 ARG 144 -29.826 27.750 15.725 769 H ARG 145 HN ARG 145 -24.669 24.805 14.213 770 HA ARG 145 HA ARG 145 -23.435 27.435 14.344 771 HB2 ARG 145 HB2 ARG 145 -26.082 26.811 15.527 772 HB3 ARG 145 HB1 ARG 145 -24.957 27.719 16.537 773 HG2 ARG 145 HG2 ARG 145 -24.605 29.231 14.487 774 HG3 ARG 145 HG1 ARG 145 -26.046 28.463 13.818 775 HD2 ARG 145 HD2 ARG 145 -26.737 30.479 14.965 776 HD3 ARG 145 HD1 ARG 145 -27.274 29.100 15.906 777 HE ARG 145 HE ARG 145 -24.917 30.765 16.575 778 HH11 ARG 145 HH11 ARG 145 -27.509 28.616 17.402 779 HH12 ARG 145 HH12 ARG 145 -27.223 28.707 19.099 780 HH21 ARG 145 HH21 ARG 145 -24.539 30.883 18.811 781 HH22 ARG 145 HH22 ARG 145 -25.543 29.987 19.902 782 H VAL 146 HN VAL 146 -22.870 24.475 14.763 783 HA VAL 146 HA VAL 146 -21.613 24.776 17.419 784 HB VAL 146 HB VAL 146 -22.937 22.287 16.320 785 HG11 VAL 146 HG11 VAL 146 -21.493 21.200 17.669 786 HG12 VAL 146 HG12 VAL 146 -22.317 21.966 19.028 787 HG13 VAL 146 HG13 VAL 146 -20.877 22.714 18.333 788 HG21 VAL 146 HG21 VAL 146 -24.201 24.379 17.451 789 HG22 VAL 146 HG22 VAL 146 -23.679 23.546 18.918 790 HG23 VAL 146 HG23 VAL 146 -24.695 22.710 17.745 791 H ARG 147 HN ARG 147 -19.513 24.178 17.546 792 HA ARG 147 HA ARG 147 -17.443 23.391 16.916 793 HB2 ARG 147 HB2 ARG 147 -18.595 21.923 14.572 794 HB3 ARG 147 HB1 ARG 147 -17.298 21.449 15.667 795 HG2 ARG 147 HG2 ARG 147 -18.790 20.241 16.838 796 HG3 ARG 147 HG1 ARG 147 -19.604 21.739 17.279 797 HD2 ARG 147 HD2 ARG 147 -21.258 21.453 15.746 798 HD3 ARG 147 HD1 ARG 147 -20.181 20.732 14.564 799 HE ARG 147 HE ARG 147 -21.471 19.308 16.804 800 HH11 ARG 147 HH11 ARG 147 -19.647 19.359 13.859 801 HH12 ARG 147 HH12 ARG 147 -19.790 17.661 13.581 802 HH21 ARG 147 HH21 ARG 147 -21.658 17.073 16.442 803 HH22 ARG 147 HH22 ARG 147 -20.926 16.365 15.041 804 H ILE 148 HN ILE 148 -15.810 24.057 15.529 805 HA ILE 148 HA ILE 148 -16.197 26.369 14.040 806 HB ILE 148 HB ILE 148 -14.010 25.441 14.907 807 HG12 ILE 148 HG12 ILE 148 -13.894 26.191 11.984 808 HG13 ILE 148 HG11 ILE 148 -14.331 27.361 13.231 809 HG21 ILE 148 HG21 ILE 148 -14.385 23.172 13.845 810 HG22 ILE 148 HG22 ILE 148 -12.797 23.876 13.543 811 HG23 ILE 148 HG23 ILE 148 -14.037 23.927 12.289 812 HD11 ILE 148 HD11 ILE 148 -12.072 27.711 13.296 813 HD12 ILE 148 HD12 ILE 148 -11.702 26.115 12.646 814 HD13 ILE 148 HD13 ILE 148 -12.106 26.301 14.352 815 H SER 149 HN SER 149 -16.992 26.768 12.065 816 HA SER 149 HA SER 149 -18.097 24.703 10.451 817 HB2 SER 149 HB2 SER 149 -17.548 27.617 9.839 818 HB3 SER 149 HB1 SER 149 -18.492 26.541 8.814 819 HG SER 149 HG SER 149 -19.471 27.946 10.667 820 H ALA 150 HN ALA 150 -16.478 23.249 9.875 821 HA ALA 150 HA ALA 150 -13.935 23.756 8.947 822 HB1 ALA 150 HB1 ALA 150 -14.051 21.585 7.819 823 HB2 ALA 150 HB2 ALA 150 -15.810 21.604 7.928 824 HB3 ALA 150 HB3 ALA 150 -14.836 21.492 9.395 825 H ASP 151 HN ASP 151 -16.979 23.987 7.219 826 HA ASP 151 HA ASP 151 -15.958 24.208 4.597 827 HB2 ASP 151 HB2 ASP 151 -18.235 25.825 4.696 828 HB3 ASP 151 HB1 ASP 151 -18.175 24.113 4.266 829 H ALA 152 HN ALA 152 -17.511 26.949 6.211 830 HA ALA 152 HA ALA 152 -16.096 28.898 4.763 831 HB1 ALA 152 HB1 ALA 152 -17.714 30.126 5.679 832 HB2 ALA 152 HB2 ALA 152 -16.868 30.043 7.224 833 HB3 ALA 152 HB3 ALA 152 -18.092 28.836 6.821 834 H MET 153 HN MET 153 -15.373 27.241 7.757 835 HA MET 153 HA MET 153 -13.488 28.895 8.917 836 HB2 MET 153 HB2 MET 153 -14.106 26.906 10.071 837 HB3 MET 153 HB1 MET 153 -13.611 25.883 8.722 838 HG2 MET 153 HG2 MET 153 -11.269 27.113 9.174 839 HG3 MET 153 HG1 MET 153 -11.944 27.229 10.798 840 HE1 MET 153 HE1 MET 153 -9.827 24.720 11.793 841 HE2 MET 153 HE2 MET 153 -9.772 26.281 10.961 842 HE3 MET 153 HE3 MET 153 -9.175 24.847 10.143 843 H MET 154 HN MET 154 -12.849 26.313 6.535 844 HA MET 154 HA MET 154 -10.110 26.979 6.179 845 HB2 MET 154 HB2 MET 154 -12.077 25.393 4.546 846 HB3 MET 154 HB1 MET 154 -10.413 25.644 4.019 847 HG2 MET 154 HG2 MET 154 -10.120 24.893 6.669 848 HG3 MET 154 HG1 MET 154 -11.460 23.886 6.117 849 HE1 MET 154 HE1 MET 154 -8.519 25.615 4.933 850 HE2 MET 154 HE2 MET 154 -8.400 24.872 3.337 851 HE3 MET 154 HE3 MET 154 -7.280 24.392 4.612 852 H GLN 155 HN GLN 155 -13.099 28.088 4.709 853 HA GLN 155 HA GLN 155 -12.050 29.337 2.409 854 HB2 GLN 155 HB2 GLN 155 -14.428 30.104 4.118 855 HB3 GLN 155 HB1 GLN 155 -14.092 30.736 2.507 856 HG2 GLN 155 HG2 GLN 155 -14.084 28.378 1.659 857 HG3 GLN 155 HG1 GLN 155 -14.646 27.868 3.252 858 HE21 GLN 155 HE21 GLN 155 -16.834 27.357 2.956 859 HE22 GLN 155 HE22 GLN 155 -17.960 28.388 2.214 860 H ALA 156 HN ALA 156 -12.458 30.518 5.735 861 HA ALA 156 HA ALA 156 -11.611 33.183 5.270 862 HB1 ALA 156 HB1 ALA 156 -12.539 33.104 7.343 863 HB2 ALA 156 HB2 ALA 156 -10.885 32.756 7.847 864 HB3 ALA 156 HB3 ALA 156 -12.031 31.439 7.613 865 H LEU 157 HN LEU 157 -9.885 30.212 6.116 866 HA LEU 157 HA LEU 157 -7.328 31.467 6.448 867 HB2 LEU 157 HB2 LEU 157 -7.417 28.631 5.619 868 HB3 LEU 157 HB1 LEU 157 -6.578 29.383 6.971 869 HG LEU 157 HG LEU 157 -9.528 28.741 6.812 870 HD11 LEU 157 HD11 LEU 157 -8.454 26.764 7.410 871 HD12 LEU 157 HD12 LEU 157 -8.793 27.489 8.977 872 HD13 LEU 157 HD13 LEU 157 -7.173 27.609 8.282 873 HD21 LEU 157 HD21 LEU 157 -8.667 30.948 8.001 874 HD22 LEU 157 HD22 LEU 157 -8.187 29.818 9.270 875 HD23 LEU 157 HD23 LEU 157 -9.878 29.928 8.771 876 H LEU 158 HN LEU 158 -8.820 29.606 3.801 877 HA LEU 158 HA LEU 158 -6.604 29.898 2.033 878 HB2 LEU 158 HB2 LEU 158 -9.493 29.226 1.456 879 HB3 LEU 158 HB1 LEU 158 -8.162 29.056 0.319 880 HG LEU 158 HG LEU 158 -8.359 27.656 2.982 881 HD11 LEU 158 HD11 LEU 158 -8.216 25.943 0.665 882 HD12 LEU 158 HD12 LEU 158 -9.577 27.056 0.507 883 HD13 LEU 158 HD13 LEU 158 -9.458 26.003 1.918 884 HD21 LEU 158 HD21 LEU 158 -6.416 26.336 1.898 885 HD22 LEU 158 HD22 LEU 158 -6.057 27.941 2.536 886 HD23 LEU 158 HD23 LEU 158 -6.282 27.710 0.801 887 H GLY 159 HN GLY 159 -9.650 31.636 2.468 888 HA2 GLY 159 HA2 GLY 159 -10.093 33.875 1.977 889 HA3 GLY 159 HA1 GLY 159 -8.538 33.975 1.161 890 H ALA 160 HN ALA 160 -10.338 31.258 0.228 891 HA ALA 160 HA ALA 160 -11.844 30.888 -1.529 892 HB1 ALA 160 HB1 ALA 160 -12.526 33.346 -1.215 893 HB2 ALA 160 HB2 ALA 160 -12.730 32.655 -2.825 894 HB3 ALA 160 HB3 ALA 160 -11.355 33.705 -2.481 895 H ARG 161 HN ARG 161 -9.534 29.808 -1.722 896 HA ARG 161 HA ARG 161 -8.087 30.780 -4.073 897 HB2 ARG 161 HB2 ARG 161 -7.527 28.794 -1.911 898 HB3 ARG 161 HB1 ARG 161 -6.687 28.627 -3.451 899 HG2 ARG 161 HG2 ARG 161 -6.213 31.187 -3.173 900 HG3 ARG 161 HG1 ARG 161 -6.563 30.882 -1.472 901 HD2 ARG 161 HD2 ARG 161 -4.202 30.596 -1.738 902 HD3 ARG 161 HD1 ARG 161 -4.891 28.981 -1.587 903 HE ARG 161 HE ARG 161 -4.745 29.718 -4.325 904 HH11 ARG 161 HH11 ARG 161 -2.807 28.812 -1.606 905 HH12 ARG 161 HH12 ARG 161 -1.551 28.099 -2.561 906 HH21 ARG 161 HH21 ARG 161 -3.103 28.786 -5.586 907 HH22 ARG 161 HH22 ARG 161 -1.719 28.084 -4.816 908 H ALA 162 HN ALA 162 -7.177 28.547 -5.261 909 HA ALA 162 HA ALA 162 -7.764 26.602 -6.441 910 HB1 ALA 162 HB1 ALA 162 -10.685 27.013 -6.111 911 HB2 ALA 162 HB2 ALA 162 -9.779 26.591 -4.658 912 HB3 ALA 162 HB3 ALA 162 -9.741 25.522 -6.062 913 H LYS 163 HN LYS 163 -7.274 27.226 -8.459 914 HA LYS 163 HA LYS 163 -8.619 29.394 -9.787 915 HB2 LYS 163 HB2 LYS 163 -6.684 27.315 -10.845 916 HB3 LYS 163 HB1 LYS 163 -7.206 28.757 -11.716 917 HG2 LYS 163 HG2 LYS 163 -6.318 30.154 -9.837 918 HG3 LYS 163 HG1 LYS 163 -5.679 28.685 -9.098 919 HD2 LYS 163 HD2 LYS 163 -4.981 29.623 -11.895 920 HD3 LYS 163 HD1 LYS 163 -3.981 29.914 -10.471 921 HE2 LYS 163 HE2 LYS 163 -3.816 27.477 -10.092 922 HE3 LYS 163 HE1 LYS 163 -4.788 27.193 -11.536 923 HZ1 LYS 163 HZ1 LYS 163 -2.918 27.269 -12.694 924 HZ2 LYS 163 HZ2 LYS 163 -2.015 27.731 -11.331 925 HZ3 LYS 163 HZ3 LYS 163 -2.767 28.910 -12.297 926 H GLY 164 HN GLY 164 -10.247 29.327 -11.240 927 HA2 GLY 164 HA2 GLY 164 -11.835 28.470 -12.695 928 HA3 GLY 164 HA1 GLY 164 -11.023 26.910 -12.601 929 H HIS 165 HN HIS 165 -13.329 26.169 -12.561 930 HA HIS 165 HA HIS 165 -15.120 25.267 -11.442 931 HB2 HIS 165 HB2 HIS 165 -12.907 24.631 -9.994 932 HB3 HIS 165 HB1 HIS 165 -13.859 25.489 -8.782 933 HD2 HIS 165 HD2 HIS 165 -15.058 23.384 -7.418 934 HE1 HIS 165 HE1 HIS 165 -16.546 21.307 -10.780 935 HE2 HIS 165 HE2 HIS 165 -16.512 21.377 -8.241 936 H HIS 166 HN HIS 166 -16.475 27.076 -11.779 937 HA HIS 166 HA HIS 166 -16.536 29.380 -10.155 938 HB2 HIS 166 HB2 HIS 166 -18.697 28.023 -11.785 939 HB3 HIS 166 HB1 HIS 166 -18.900 29.593 -11.006 940 HD2 HIS 166 HD2 HIS 166 -17.042 28.041 -14.083 941 HE1 HIS 166 HE1 HIS 166 -16.276 32.192 -14.073 942 HE2 HIS 166 HE2 HIS 166 -16.018 30.045 -15.406 943 H HIS 167 HN HIS 167 -18.219 26.264 -9.897 944 HA HIS 167 HA HIS 167 -18.359 26.209 -7.124 945 HB2 HIS 167 HB2 HIS 167 -20.026 28.209 -8.008 946 HB3 HIS 167 HB1 HIS 167 -21.127 26.838 -7.876 947 HD2 HIS 167 HD2 HIS 167 -21.436 25.809 -5.217 948 HE1 HIS 167 HE1 HIS 167 -19.313 28.933 -3.333 949 HE2 HIS 167 HE2 HIS 167 -20.818 26.926 -2.940 950 H HIS 168 HN HIS 168 -21.034 25.150 -6.858 951 HA HIS 168 HA HIS 168 -20.636 22.608 -8.292 952 HB2 HIS 168 HB2 HIS 168 -20.834 22.766 -5.721 953 HB3 HIS 168 HB1 HIS 168 -22.551 23.048 -6.010 954 HD2 HIS 168 HD2 HIS 168 -20.131 20.085 -5.777 955 HE1 HIS 168 HE1 HIS 168 -23.620 18.609 -7.640 956 HE2 HIS 168 HE2 HIS 168 -21.421 17.952 -6.556 957 H HIS 169 HN HIS 169 -21.928 25.137 -9.338 958 HA HIS 169 HA HIS 169 -24.217 23.831 -10.553 959 HB2 HIS 169 HB2 HIS 169 -25.843 25.516 -9.891 960 HB3 HIS 169 HB1 HIS 169 -25.153 24.776 -8.447 961 HD2 HIS 169 HD2 HIS 169 -25.473 28.273 -10.048 962 HE1 HIS 169 HE1 HIS 169 -22.738 28.648 -6.854 963 HE2 HIS 169 HE2 HIS 169 -24.129 29.932 -8.547 964 H HIS 170 HN HIS 170 -25.256 25.321 -12.190 965 HA HIS 170 HA HIS 170 -23.142 26.919 -13.481 966 HB2 HIS 170 HB2 HIS 170 -25.677 25.779 -14.677 967 HB3 HIS 170 HB1 HIS 170 -24.372 26.577 -15.554 968 HD2 HIS 170 HD2 HIS 170 -25.322 23.045 -14.503 969 HE1 HIS 170 HE1 HIS 170 -21.170 22.929 -15.256 970 HE2 HIS 170 HE2 HIS 170 -23.237 21.511 -14.847 971 H17 V8Y 201 H17 A7 201 -15.647 25.051 18.621 972 H21 V8Y 201 H21 A7 201 -15.378 22.665 19.215 973 H3 V8Y 201 H3 A7 201 -15.401 20.183 19.146 974 H4 V8Y 201 H4 A7 201 -13.457 18.957 18.226 975 H6 V8Y 201 H6 A7 201 -9.214 20.219 16.336 976 H7 V8Y 201 H7 A7 201 -9.193 22.712 16.405 977 H8 V8Y 201 H8 A7 201 -11.144 23.940 17.332 978 H11 V8Y 201 H11 A7 201 -14.948 27.154 19.186 979 H8L V8Y 201 H8L A7 201 -13.831 26.492 20.385 980 H12 V8Y 201 H12 A7 201 -15.718 27.280 21.637 981 H8M V8Y 201 H8M A7 201 -15.891 25.509 21.553 982 H13 V8Y 201 H13 A7 201 -17.868 25.700 20.507 983 H8O V8Y 201 H8O A7 201 -17.111 26.740 19.250 984 H14 V8Y 201 H14 A7 201 -18.351 28.431 19.986 985 H8N V8Y 201 H8N A7 201 -17.388 28.358 21.507 986 H15 V8Y 201 H15 A7 201 -19.268 27.925 22.613 987 H8P V8Y 201 H8P A7 201 -19.340 26.367 21.746 988 H16 V8Y 201 H16 A7 201 -21.370 27.165 21.060 989 H8Q V8Y 201 H8Q A7 201 -20.369 27.993 19.845
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