NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568154 | 2mdk | 19489 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -12.904 11.074 2.417 2 H2 MET 1 HT2 MET 1 -11.999 12.214 1.509 3 H3 MET 1 HT3 MET 1 -11.267 10.750 2.027 4 HA MET 1 HA MET 1 -12.501 9.476 0.583 5 HB2 MET 1 HB2 MET 1 -14.350 10.462 -0.743 6 HB3 MET 1 HB1 MET 1 -14.652 10.517 0.989 7 HG2 MET 1 HG2 MET 1 -14.001 12.865 1.037 8 HG3 MET 1 HG1 MET 1 -13.678 12.814 -0.696 9 HE1 MET 1 HE1 MET 1 -15.213 15.047 -0.390 10 HE2 MET 1 HE2 MET 1 -15.924 14.716 1.190 11 HE3 MET 1 HE3 MET 1 -16.966 14.993 -0.206 12 H ALA 2 HN ALA 2 -12.672 9.715 -1.938 13 HA ALA 2 HA ALA 2 -11.066 11.774 -3.120 14 HB1 ALA 2 HB1 ALA 2 -9.266 10.487 -2.176 15 HB2 ALA 2 HB2 ALA 2 -9.275 10.264 -3.926 16 HB3 ALA 2 HB3 ALA 2 -9.912 9.001 -2.871 17 H LYS 3 HN LYS 3 -10.406 10.874 -5.485 18 HA LYS 3 HA LYS 3 -12.799 10.607 -6.893 19 HB2 LYS 3 HB2 LYS 3 -10.145 9.663 -7.959 20 HB3 LYS 3 HB1 LYS 3 -11.487 10.369 -8.848 21 HG2 LYS 3 HG2 LYS 3 -10.577 12.373 -8.652 22 HG3 LYS 3 HG1 LYS 3 -10.648 12.247 -6.894 23 HD2 LYS 3 HD2 LYS 3 -8.494 10.683 -7.462 24 HD3 LYS 3 HD1 LYS 3 -8.377 11.911 -8.724 25 HE2 LYS 3 HE2 LYS 3 -8.998 13.171 -6.233 26 HE3 LYS 3 HE1 LYS 3 -7.607 12.111 -6.016 27 HZ1 LYS 3 HZ1 LYS 3 -6.878 14.288 -6.671 28 HZ2 LYS 3 HZ2 LYS 3 -7.877 14.270 -8.037 29 HZ3 LYS 3 HZ3 LYS 3 -6.566 13.206 -7.934 30 H VAL 4 HN VAL 4 -14.019 8.906 -6.049 31 HA VAL 4 HA VAL 4 -13.221 6.309 -5.569 32 HB VAL 4 HB VAL 4 -15.902 7.072 -6.722 33 HG11 VAL 4 HG11 VAL 4 -16.616 5.174 -5.174 34 HG12 VAL 4 HG12 VAL 4 -14.906 4.750 -5.098 35 HG13 VAL 4 HG13 VAL 4 -15.751 4.730 -6.646 36 HG21 VAL 4 HG21 VAL 4 -14.796 7.370 -3.949 37 HG22 VAL 4 HG22 VAL 4 -16.527 7.201 -4.238 38 HG23 VAL 4 HG23 VAL 4 -15.645 8.559 -4.937 39 H GLU 5 HN GLU 5 -14.125 7.811 -8.623 40 HA GLU 5 HA GLU 5 -14.022 5.315 -10.056 41 HB2 GLU 5 HB2 GLU 5 -15.593 7.096 -10.690 42 HB3 GLU 5 HB1 GLU 5 -14.237 8.140 -11.097 43 HG2 GLU 5 HG2 GLU 5 -14.923 7.313 -13.146 44 HG3 GLU 5 HG1 GLU 5 -13.554 6.282 -12.727 45 H GLN 6 HN GLN 6 -12.011 8.291 -10.050 46 HA GLN 6 HA GLN 6 -10.166 7.267 -11.946 47 HB2 GLN 6 HB2 GLN 6 -10.683 9.723 -11.015 48 HB3 GLN 6 HB1 GLN 6 -9.280 9.354 -10.026 49 HG2 GLN 6 HG2 GLN 6 -8.498 8.619 -12.576 50 HG3 GLN 6 HG1 GLN 6 -9.445 10.086 -12.825 51 HE21 GLN 6 1HE2 GLN 6 -8.093 11.764 -13.021 52 HE22 GLN 6 2HE2 GLN 6 -6.712 12.067 -12.027 53 H VAL 7 HN VAL 7 -9.797 7.706 -8.399 54 HA VAL 7 HA VAL 7 -7.314 6.231 -8.499 55 HB VAL 7 HB VAL 7 -7.314 8.170 -7.115 56 HG11 VAL 7 HG11 VAL 7 -9.636 6.890 -5.725 57 HG12 VAL 7 HG12 VAL 7 -9.519 8.500 -6.428 58 HG13 VAL 7 HG13 VAL 7 -8.646 8.119 -4.946 59 HG21 VAL 7 HG21 VAL 7 -5.888 6.338 -6.418 60 HG22 VAL 7 HG22 VAL 7 -7.198 5.661 -5.448 61 HG23 VAL 7 HG23 VAL 7 -6.490 7.216 -5.011 62 H LEU 8 HN LEU 8 -10.433 5.714 -6.834 63 HA LEU 8 HA LEU 8 -9.557 3.292 -5.640 64 HB2 LEU 8 HB2 LEU 8 -12.198 4.665 -5.857 65 HB3 LEU 8 HB1 LEU 8 -12.082 3.057 -5.169 66 HG LEU 8 HG LEU 8 -10.156 4.320 -3.747 67 HD11 LEU 8 HD11 LEU 8 -10.377 6.529 -3.600 68 HD12 LEU 8 HD12 LEU 8 -12.133 6.426 -3.469 69 HD13 LEU 8 HD13 LEU 8 -11.366 6.426 -5.056 70 HD21 LEU 8 HD21 LEU 8 -13.096 4.006 -3.242 71 HD22 LEU 8 HD22 LEU 8 -12.006 4.654 -2.016 72 HD23 LEU 8 HD23 LEU 8 -11.760 3.023 -2.643 73 H SER 9 HN SER 9 -10.966 3.867 -8.763 74 HA SER 9 HA SER 9 -12.248 1.380 -9.080 75 HB2 SER 9 HB2 SER 9 -11.090 3.266 -11.128 76 HB3 SER 9 HB1 SER 9 -12.100 1.870 -11.519 77 HG SER 9 HG SER 9 -13.249 3.336 -9.558 78 H LEU 10 HN LEU 10 -10.634 0.079 -8.005 79 HA LEU 10 HA LEU 10 -8.192 -0.600 -9.373 80 HB2 LEU 10 HB2 LEU 10 -7.537 -1.679 -7.500 81 HB3 LEU 10 HB1 LEU 10 -8.689 -0.555 -6.799 82 HG LEU 10 HG LEU 10 -9.274 -3.443 -7.475 83 HD11 LEU 10 HD11 LEU 10 -8.177 -3.913 -5.600 84 HD12 LEU 10 HD12 LEU 10 -9.474 -3.088 -4.736 85 HD13 LEU 10 HD13 LEU 10 -8.010 -2.210 -5.179 86 HD21 LEU 10 HD21 LEU 10 -11.362 -2.548 -7.504 87 HD22 LEU 10 HD22 LEU 10 -10.912 -1.175 -6.491 88 HD23 LEU 10 HD23 LEU 10 -11.192 -2.755 -5.760 89 H GLU 11 HN GLU 11 -11.403 -1.691 -9.626 90 HA GLU 11 HA GLU 11 -11.057 -4.429 -9.863 91 HB2 GLU 11 HB2 GLU 11 -13.120 -4.352 -11.331 92 HB3 GLU 11 HB1 GLU 11 -13.269 -3.631 -9.736 93 HG2 GLU 11 HG2 GLU 11 -12.617 -1.438 -11.056 94 HG3 GLU 11 HG1 GLU 11 -13.279 -2.351 -12.411 95 HA PRO 12 HA PRO 12 -10.188 -3.823 -14.616 96 HB2 PRO 12 HB2 PRO 12 -8.542 -1.671 -15.098 97 HB3 PRO 12 HB1 PRO 12 -10.285 -1.655 -15.385 98 HG2 PRO 12 HG2 PRO 12 -8.735 -0.584 -13.064 99 HG3 PRO 12 HG1 PRO 12 -10.131 0.120 -13.901 100 HD2 PRO 12 HD2 PRO 12 -10.374 -1.127 -11.535 101 HD3 PRO 12 HD1 PRO 12 -11.641 -1.215 -12.773 102 H GLN 13 HN GLN 13 -8.970 -5.610 -13.782 103 HA GLN 13 HA GLN 13 -6.610 -5.362 -12.308 104 HB2 GLN 13 HB2 GLN 13 -7.395 -7.625 -14.156 105 HB3 GLN 13 HB1 GLN 13 -6.231 -7.710 -12.840 106 HG2 GLN 13 HG2 GLN 13 -7.819 -8.027 -11.316 107 HG3 GLN 13 HG1 GLN 13 -8.826 -6.737 -11.972 108 HE21 GLN 13 1HE2 GLN 13 -10.467 -8.392 -11.286 109 HE22 GLN 13 2HE2 GLN 13 -10.946 -9.557 -12.468 110 H HIS 14 HN HIS 14 -7.097 -4.794 -15.666 111 HA HIS 14 HA HIS 14 -4.896 -5.618 -16.977 112 HB2 HIS 14 HB2 HIS 14 -6.411 -3.055 -17.104 113 HB3 HIS 14 HB1 HIS 14 -4.953 -3.226 -18.071 114 HD1 HIS 14 HD1 HIS 14 -7.955 -3.024 -19.159 115 HD2 HIS 14 HD2 HIS 14 -5.654 -6.469 -18.835 116 HE1 HIS 14 HE1 HIS 14 -8.925 -4.640 -20.824 117 HE2 HIS 14 HE2 HIS 14 -7.556 -6.739 -20.566 118 H GLU 15 HN GLU 15 -2.866 -5.686 -16.427 119 HA GLU 15 HA GLU 15 -0.763 -5.086 -15.811 120 HB2 GLU 15 HB2 GLU 15 -1.692 -2.222 -15.780 121 HB3 GLU 15 HB1 GLU 15 -0.063 -2.829 -16.048 122 HG2 GLU 15 HG2 GLU 15 -2.392 -3.265 -17.903 123 HG3 GLU 15 HG1 GLU 15 -1.152 -2.028 -18.102 124 H LEU 16 HN LEU 16 -0.509 -5.908 -13.823 125 HA LEU 16 HA LEU 16 0.157 -4.571 -11.628 126 HB2 LEU 16 HB2 LEU 16 -1.851 -4.605 -10.122 127 HB3 LEU 16 HB1 LEU 16 -1.885 -3.390 -11.382 128 HG LEU 16 HG LEU 16 -3.177 -5.631 -12.470 129 HD11 LEU 16 HD11 LEU 16 -3.792 -5.235 -9.573 130 HD12 LEU 16 HD12 LEU 16 -3.614 -6.734 -10.488 131 HD13 LEU 16 HD13 LEU 16 -5.059 -5.742 -10.691 132 HD21 LEU 16 HD21 LEU 16 -3.860 -2.888 -11.617 133 HD22 LEU 16 HD22 LEU 16 -5.211 -3.998 -11.846 134 HD23 LEU 16 HD23 LEU 16 -4.092 -3.685 -13.173 135 H LYS 17 HN LYS 17 1.320 -6.199 -10.815 136 HA LYS 17 HA LYS 17 1.904 -8.224 -9.968 137 HB2 LYS 17 HB2 LYS 17 -0.731 -7.649 -8.965 138 HB3 LYS 17 HB1 LYS 17 -0.552 -9.382 -9.198 139 HG2 LYS 17 HG2 LYS 17 0.306 -9.311 -7.128 140 HG3 LYS 17 HG1 LYS 17 1.780 -8.824 -7.969 141 HD2 LYS 17 HD2 LYS 17 1.074 -6.446 -7.663 142 HD3 LYS 17 HD1 LYS 17 -0.258 -7.026 -6.661 143 HE2 LYS 17 HE2 LYS 17 1.101 -7.033 -4.906 144 HE3 LYS 17 HE1 LYS 17 2.089 -8.260 -5.698 145 HZ1 LYS 17 HZ1 LYS 17 3.616 -6.740 -6.355 146 HZ2 LYS 17 HZ2 LYS 17 3.060 -5.930 -4.979 147 HZ3 LYS 17 HZ3 LYS 17 2.493 -5.484 -6.508 148 H PHE 18 HN PHE 18 -1.326 -9.229 -11.010 149 HA PHE 18 HA PHE 18 -0.575 -10.382 -13.466 150 HB2 PHE 18 HB2 PHE 18 0.686 -11.895 -11.907 151 HB3 PHE 18 HB1 PHE 18 -0.857 -12.383 -11.213 152 HD1 PHE 18 HD1 PHE 18 -2.624 -13.245 -12.972 153 HD2 PHE 18 HD2 PHE 18 1.587 -13.166 -13.591 154 HE1 PHE 18 HE1 PHE 18 -2.849 -14.980 -14.700 155 HE2 PHE 18 HE2 PHE 18 1.369 -14.902 -15.320 156 HZ PHE 18 HZ PHE 18 -0.852 -15.812 -15.877 157 H ARG 19 HN ARG 19 -2.628 -10.925 -10.628 158 HA ARG 19 HA ARG 19 -5.000 -10.556 -12.281 159 HB2 ARG 19 HB2 ARG 19 -4.171 -13.111 -11.728 160 HB3 ARG 19 HB1 ARG 19 -5.269 -12.796 -10.392 161 HG2 ARG 19 HG2 ARG 19 -6.883 -13.450 -11.775 162 HG3 ARG 19 HG1 ARG 19 -6.685 -11.879 -12.553 163 HD2 ARG 19 HD2 ARG 19 -5.995 -12.857 -14.423 164 HD3 ARG 19 HD1 ARG 19 -4.700 -13.677 -13.551 165 HE ARG 19 HE ARG 19 -7.156 -14.819 -14.452 166 HH11 ARG 19 HH11 ARG 19 -4.708 -15.022 -11.974 167 HH12 ARG 19 HH12 ARG 19 -5.011 -16.692 -11.635 168 HH21 ARG 19 HH21 ARG 19 -7.557 -17.016 -14.008 169 HH22 ARG 19 HH22 ARG 19 -6.628 -17.826 -12.791 170 H GLY 20 HN GLY 20 -6.854 -11.344 -10.251 171 HA2 GLY 20 HA2 GLY 20 -6.390 -9.115 -8.384 172 HA3 GLY 20 HA1 GLY 20 -7.951 -9.833 -8.741 173 HA PRO 21 HA PRO 21 -5.250 -12.259 -5.332 174 HB2 PRO 21 HB2 PRO 21 -5.633 -9.903 -3.562 175 HB3 PRO 21 HB1 PRO 21 -4.287 -11.040 -3.640 176 HG2 PRO 21 HG2 PRO 21 -4.077 -8.567 -4.648 177 HG3 PRO 21 HG1 PRO 21 -3.294 -9.956 -5.421 178 HD2 PRO 21 HD2 PRO 21 -5.725 -8.451 -6.243 179 HD3 PRO 21 HD1 PRO 21 -4.512 -9.274 -7.243 180 H PHE 22 HN PHE 22 -6.380 -13.242 -3.579 181 HA PHE 22 HA PHE 22 -9.209 -13.148 -3.879 182 HB2 PHE 22 HB2 PHE 22 -7.267 -14.772 -2.409 183 HB3 PHE 22 HB1 PHE 22 -8.784 -14.553 -1.545 184 HD1 PHE 22 HD2 PHE 22 -7.350 -15.665 -4.775 185 HD2 PHE 22 HD1 PHE 22 -10.682 -15.778 -2.132 186 HE1 PHE 22 HE2 PHE 22 -8.382 -17.418 -6.159 187 HE2 PHE 22 HE1 PHE 22 -11.720 -17.531 -3.510 188 HZ PHE 22 HZ PHE 22 -10.571 -18.353 -5.527 189 H THR 23 HN THR 23 -7.150 -12.443 -1.068 190 HA THR 23 HA THR 23 -9.254 -11.249 0.423 191 HB THR 23 HB THR 23 -6.411 -10.604 1.030 192 HG1 THR 23 HG1 THR 23 -7.529 -13.201 1.204 193 HG21 THR 23 HG21 THR 23 -7.455 -10.035 2.909 194 HG22 THR 23 HG22 THR 23 -7.520 -11.767 3.232 195 HG23 THR 23 HG23 THR 23 -8.901 -10.954 2.496 196 H ASP 24 HN ASP 24 -6.532 -9.940 -1.418 197 HA ASP 24 HA ASP 24 -6.961 -7.245 -0.790 198 HB2 ASP 24 HB2 ASP 24 -5.747 -8.148 -3.384 199 HB3 ASP 24 HB1 ASP 24 -5.367 -6.720 -2.429 200 H VAL 25 HN VAL 25 -8.019 -9.041 -3.732 201 HA VAL 25 HA VAL 25 -9.191 -6.844 -4.967 202 HB VAL 25 HB VAL 25 -8.860 -9.186 -5.939 203 HG11 VAL 25 HG11 VAL 25 -10.144 -10.382 -4.184 204 HG12 VAL 25 HG12 VAL 25 -10.690 -10.739 -5.822 205 HG13 VAL 25 HG13 VAL 25 -11.616 -9.636 -4.805 206 HG21 VAL 25 HG21 VAL 25 -11.304 -7.513 -6.412 207 HG22 VAL 25 HG22 VAL 25 -10.927 -8.918 -7.410 208 HG23 VAL 25 HG23 VAL 25 -9.801 -7.562 -7.334 209 H VAL 26 HN VAL 26 -10.713 -9.206 -2.766 210 HA VAL 26 HA VAL 26 -13.192 -7.825 -2.735 211 HB VAL 26 HB VAL 26 -13.805 -9.296 -0.860 212 HG11 VAL 26 HG11 VAL 26 -13.854 -9.981 -3.317 213 HG12 VAL 26 HG12 VAL 26 -13.940 -11.269 -2.116 214 HG13 VAL 26 HG13 VAL 26 -12.422 -10.944 -2.953 215 HG21 VAL 26 HG21 VAL 26 -10.887 -9.906 -0.934 216 HG22 VAL 26 HG22 VAL 26 -12.018 -11.171 -0.457 217 HG23 VAL 26 HG23 VAL 26 -11.953 -9.660 0.450 218 H THR 27 HN THR 27 -10.577 -8.052 -0.330 219 HA THR 27 HA THR 27 -11.808 -6.341 1.536 220 HB THR 27 HB THR 27 -8.860 -6.893 1.178 221 HG1 THR 27 HG1 THR 27 -9.539 -8.836 1.634 222 HG21 THR 27 HG21 THR 27 -10.434 -5.646 3.367 223 HG22 THR 27 HG22 THR 27 -8.831 -5.244 2.754 224 HG23 THR 27 HG23 THR 27 -9.054 -6.665 3.775 225 H THR 28 HN THR 28 -9.539 -5.699 -1.099 226 HA THR 28 HA THR 28 -9.146 -2.963 -0.391 227 HB THR 28 HB THR 28 -8.746 -4.228 -3.107 228 HG1 THR 28 HG1 THR 28 -7.589 -5.262 -1.361 229 HG21 THR 28 HG21 THR 28 -8.620 -1.839 -3.256 230 HG22 THR 28 HG22 THR 28 -6.992 -2.511 -3.352 231 HG23 THR 28 HG23 THR 28 -7.552 -1.768 -1.854 232 H ASN 29 HN ASN 29 -11.118 -4.559 -2.869 233 HA ASN 29 HA ASN 29 -12.335 -2.173 -3.791 234 HB2 ASN 29 HB2 ASN 29 -12.210 -4.322 -5.079 235 HB3 ASN 29 HB1 ASN 29 -13.424 -4.986 -3.991 236 HD21 ASN 29 1HE2 ASN 29 -13.965 -4.984 -6.608 237 HD22 ASN 29 2HE2 ASN 29 -15.161 -3.800 -6.991 238 H LEU 30 HN LEU 30 -13.139 -4.516 -1.294 239 HA LEU 30 HA LEU 30 -15.778 -3.529 -0.831 240 HB2 LEU 30 HB2 LEU 30 -15.106 -5.782 -0.150 241 HB3 LEU 30 HB1 LEU 30 -13.953 -5.108 0.985 242 HG LEU 30 HG LEU 30 -16.140 -5.971 1.947 243 HD11 LEU 30 HD11 LEU 30 -15.995 -3.149 2.754 244 HD12 LEU 30 HD12 LEU 30 -14.466 -4.027 2.792 245 HD13 LEU 30 HD13 LEU 30 -15.846 -4.620 3.716 246 HD21 LEU 30 HD21 LEU 30 -18.123 -5.011 1.485 247 HD22 LEU 30 HD22 LEU 30 -17.320 -4.541 -0.013 248 HD23 LEU 30 HD23 LEU 30 -17.427 -3.398 1.326 249 H LYS 31 HN LYS 31 -12.627 -2.917 0.622 250 HA LYS 31 HA LYS 31 -13.790 -0.933 2.404 251 HB2 LYS 31 HB2 LYS 31 -11.751 -2.739 2.730 252 HB3 LYS 31 HB1 LYS 31 -10.877 -1.242 2.444 253 HG2 LYS 31 HG2 LYS 31 -11.096 -1.019 4.667 254 HG3 LYS 31 HG1 LYS 31 -12.682 -0.379 4.231 255 HD2 LYS 31 HD2 LYS 31 -13.557 -1.952 5.546 256 HD3 LYS 31 HD1 LYS 31 -13.061 -3.125 4.326 257 HE2 LYS 31 HE2 LYS 31 -12.003 -4.038 6.115 258 HE3 LYS 31 HE1 LYS 31 -10.750 -2.898 5.627 259 HZ1 LYS 31 HZ1 LYS 31 -12.827 -2.254 7.641 260 HZ2 LYS 31 HZ2 LYS 31 -11.416 -1.386 7.298 261 HZ3 LYS 31 HZ3 LYS 31 -11.316 -2.899 8.047 262 H LEU 32 HN LEU 32 -14.297 0.261 0.245 263 HA LEU 32 HA LEU 32 -12.050 1.760 -0.823 264 HB2 LEU 32 HB2 LEU 32 -14.972 1.570 -1.427 265 HB3 LEU 32 HB1 LEU 32 -14.142 3.038 -1.887 266 HG LEU 32 HG LEU 32 -13.308 2.083 -3.748 267 HD11 LEU 32 HD11 LEU 32 -12.193 -0.191 -3.681 268 HD12 LEU 32 HD12 LEU 32 -12.479 -0.179 -1.941 269 HD13 LEU 32 HD13 LEU 32 -11.466 1.062 -2.676 270 HD21 LEU 32 HD21 LEU 32 -14.298 -0.348 -4.151 271 HD22 LEU 32 HD22 LEU 32 -15.286 1.107 -4.272 272 HD23 LEU 32 HD23 LEU 32 -15.332 0.130 -2.805 273 H GLY 33 HN GLY 33 -12.058 2.170 1.839 274 HA2 GLY 33 HA2 GLY 33 -12.049 4.887 2.207 275 HA3 GLY 33 HA1 GLY 33 -13.685 4.403 2.625 276 H ASN 34 HN ASN 34 -14.070 3.708 4.666 277 HA ASN 34 HA ASN 34 -12.199 3.986 6.689 278 HB2 ASN 34 HB2 ASN 34 -14.856 3.616 6.654 279 HB3 ASN 34 HB1 ASN 34 -14.355 1.993 7.120 280 HD21 ASN 34 1HE2 ASN 34 -14.691 1.819 9.217 281 HD22 ASN 34 2HE2 ASN 34 -14.190 2.952 10.421 282 HA PRO 35 HA PRO 35 -10.092 0.046 5.999 283 HB2 PRO 35 HB2 PRO 35 -7.650 0.843 6.686 284 HB3 PRO 35 HB1 PRO 35 -8.382 1.385 5.172 285 HG2 PRO 35 HG2 PRO 35 -7.997 2.860 7.727 286 HG3 PRO 35 HG1 PRO 35 -7.968 3.466 6.062 287 HD2 PRO 35 HD2 PRO 35 -10.137 3.584 7.882 288 HD3 PRO 35 HD1 PRO 35 -10.170 3.986 6.155 289 H THR 36 HN THR 36 -11.494 0.977 8.565 290 HA THR 36 HA THR 36 -9.910 -0.694 10.398 291 HB THR 36 HB THR 36 -9.526 1.394 11.341 292 HG1 THR 36 HG1 THR 36 -10.605 1.327 13.210 293 HG21 THR 36 HG21 THR 36 -11.739 2.883 11.702 294 HG22 THR 36 HG22 THR 36 -12.107 2.135 10.148 295 HG23 THR 36 HG23 THR 36 -10.629 3.076 10.344 296 H ASP 37 HN ASP 37 -11.243 -1.462 12.281 297 HA ASP 37 HA ASP 37 -13.833 -2.388 11.272 298 HB2 ASP 37 HB2 ASP 37 -11.808 -3.465 13.163 299 HB3 ASP 37 HB1 ASP 37 -13.494 -3.843 13.503 300 H ARG 38 HN ARG 38 -12.364 -0.494 13.793 301 HA ARG 38 HA ARG 38 -15.043 0.203 14.778 302 HB2 ARG 38 HB2 ARG 38 -14.258 0.219 17.069 303 HB3 ARG 38 HB1 ARG 38 -13.958 -1.362 16.364 304 HG2 ARG 38 HG2 ARG 38 -11.767 -1.205 16.701 305 HG3 ARG 38 HG1 ARG 38 -11.699 0.423 16.025 306 HD2 ARG 38 HD2 ARG 38 -11.277 1.123 18.099 307 HD3 ARG 38 HD1 ARG 38 -12.971 0.784 18.450 308 HE ARG 38 HE ARG 38 -10.673 -0.730 19.313 309 HH11 ARG 38 HH11 ARG 38 -14.121 -0.786 18.768 310 HH12 ARG 38 HH12 ARG 38 -14.398 -2.094 19.865 311 HH21 ARG 38 HH21 ARG 38 -11.039 -2.451 20.758 312 HH22 ARG 38 HH22 ARG 38 -12.650 -3.039 20.996 313 H ASN 39 HN ASN 39 -14.969 2.276 16.099 314 HA ASN 39 HA ASN 39 -14.407 4.470 16.371 315 HB2 ASN 39 HB2 ASN 39 -11.911 3.246 15.987 316 HB3 ASN 39 HB1 ASN 39 -11.927 4.620 14.885 317 HD21 ASN 39 1HE2 ASN 39 -12.143 6.708 15.727 318 HD22 ASN 39 2HE2 ASN 39 -11.811 7.054 17.386 319 H VAL 40 HN VAL 40 -14.219 6.472 15.099 320 HA VAL 40 HA VAL 40 -14.992 6.030 12.288 321 HB VAL 40 HB VAL 40 -16.885 6.812 13.638 322 HG11 VAL 40 HG11 VAL 40 -15.063 8.273 15.035 323 HG12 VAL 40 HG12 VAL 40 -16.809 8.509 15.104 324 HG13 VAL 40 HG13 VAL 40 -15.825 9.514 14.042 325 HG21 VAL 40 HG21 VAL 40 -16.290 9.241 12.080 326 HG22 VAL 40 HG22 VAL 40 -17.668 8.144 11.995 327 HG23 VAL 40 HG23 VAL 40 -16.150 7.716 11.206 328 H CYS 41 HN CYS 41 -13.328 6.587 11.044 329 HA CYS 41 HA CYS 41 -12.440 9.227 10.798 330 HB2 CYS 41 HB2 CYS 41 -10.956 7.591 12.728 331 HB3 CYS 41 HB1 CYS 41 -9.937 8.310 11.487 332 HG CYS 41 HG CYS 41 -9.996 10.317 12.876 333 H PHE 42 HN PHE 42 -9.979 8.989 9.654 334 HA PHE 42 HA PHE 42 -10.384 6.938 7.577 335 HB2 PHE 42 HB2 PHE 42 -10.840 9.381 6.934 336 HB3 PHE 42 HB1 PHE 42 -9.100 9.610 7.053 337 HD1 PHE 42 HD2 PHE 42 -11.026 6.720 5.719 338 HD2 PHE 42 HD1 PHE 42 -8.385 9.949 4.880 339 HE1 PHE 42 HE2 PHE 42 -10.764 5.901 3.413 340 HE2 PHE 42 HE1 PHE 42 -8.119 9.138 2.573 341 HZ PHE 42 HZ PHE 42 -9.308 7.111 1.837 342 H LYS 43 HN LYS 43 -7.962 8.978 9.190 343 HA LYS 43 HA LYS 43 -6.132 6.870 9.547 344 HB2 LYS 43 HB2 LYS 43 -4.451 7.294 7.933 345 HB3 LYS 43 HB1 LYS 43 -5.963 7.204 7.039 346 HG2 LYS 43 HG2 LYS 43 -4.702 9.794 7.906 347 HG3 LYS 43 HG1 LYS 43 -4.395 9.031 6.349 348 HD2 LYS 43 HD2 LYS 43 -6.726 9.201 5.751 349 HD3 LYS 43 HD1 LYS 43 -7.127 9.820 7.354 350 HE2 LYS 43 HE2 LYS 43 -6.603 11.901 6.766 351 HE3 LYS 43 HE1 LYS 43 -5.041 11.393 6.127 352 HZ1 LYS 43 HZ1 LYS 43 -5.993 12.114 4.223 353 HZ2 LYS 43 HZ2 LYS 43 -7.573 11.805 4.741 354 HZ3 LYS 43 HZ3 LYS 43 -6.602 10.535 4.190 355 H VAL 44 HN VAL 44 -4.038 7.624 10.423 356 HA VAL 44 HA VAL 44 -4.235 10.403 11.399 357 HB VAL 44 HB VAL 44 -3.716 7.959 13.054 358 HG11 VAL 44 HG11 VAL 44 -2.552 10.654 13.414 359 HG12 VAL 44 HG12 VAL 44 -1.959 9.082 13.950 360 HG13 VAL 44 HG13 VAL 44 -3.249 9.888 14.841 361 HG21 VAL 44 HG21 VAL 44 -5.523 10.351 13.262 362 HG22 VAL 44 HG22 VAL 44 -5.313 9.174 14.557 363 HG23 VAL 44 HG23 VAL 44 -5.981 8.668 13.006 364 H LYS 45 HN LYS 45 -1.783 7.749 11.508 365 HA LYS 45 HA LYS 45 0.132 8.541 9.868 366 HB2 LYS 45 HB2 LYS 45 0.281 10.797 10.516 367 HB3 LYS 45 HB1 LYS 45 0.130 10.415 12.225 368 HG2 LYS 45 HG2 LYS 45 2.346 9.872 12.439 369 HG3 LYS 45 HG1 LYS 45 2.515 9.433 10.739 370 HD2 LYS 45 HD2 LYS 45 2.553 11.710 10.065 371 HD3 LYS 45 HD1 LYS 45 2.042 12.259 11.663 372 HE2 LYS 45 HE2 LYS 45 4.245 12.645 11.944 373 HE3 LYS 45 HE1 LYS 45 4.286 10.922 12.317 374 HZ1 LYS 45 HZ1 LYS 45 4.523 11.603 9.507 375 HZ2 LYS 45 HZ2 LYS 45 5.360 10.448 10.417 376 HZ3 LYS 45 HZ3 LYS 45 5.827 12.072 10.479 377 H THR 46 HN THR 46 0.736 8.741 13.370 378 HA THR 46 HA THR 46 2.750 6.831 13.424 379 HB THR 46 HB THR 46 2.025 6.585 15.903 380 HG1 THR 46 HG1 THR 46 -0.066 7.282 15.796 381 HG21 THR 46 HG21 THR 46 3.722 8.270 14.832 382 HG22 THR 46 HG22 THR 46 3.207 8.435 16.510 383 HG23 THR 46 HG23 THR 46 2.481 9.447 15.261 384 H THR 47 HN THR 47 2.808 4.636 14.112 385 HA THR 47 HA THR 47 0.272 3.186 14.139 386 HB THR 47 HB THR 47 0.767 1.765 12.379 387 HG1 THR 47 HG1 THR 47 2.783 1.065 12.927 388 HG21 THR 47 HG21 THR 47 1.277 2.993 10.471 389 HG22 THR 47 HG22 THR 47 2.338 4.094 11.351 390 HG23 THR 47 HG23 THR 47 0.592 4.179 11.581 391 H ALA 48 HN ALA 48 0.820 0.729 14.537 392 HA ALA 48 HA ALA 48 2.554 0.691 16.885 393 HB1 ALA 48 HB1 ALA 48 1.454 -1.728 16.955 394 HB2 ALA 48 HB2 ALA 48 0.255 -0.925 15.941 395 HB3 ALA 48 HB3 ALA 48 0.615 -0.295 17.548 396 HA PRO 49 HA PRO 49 5.766 -1.525 14.797 397 HB2 PRO 49 HB2 PRO 49 6.987 -2.702 16.902 398 HB3 PRO 49 HB1 PRO 49 7.095 -0.965 16.591 399 HG2 PRO 49 HG2 PRO 49 5.334 -2.440 18.512 400 HG3 PRO 49 HG1 PRO 49 6.249 -0.940 18.758 401 HD2 PRO 49 HD2 PRO 49 3.586 -0.975 18.225 402 HD3 PRO 49 HD1 PRO 49 4.652 0.350 17.720 403 H ARG 50 HN ARG 50 4.695 -3.076 13.581 404 HA ARG 50 HA ARG 50 4.188 -5.654 14.914 405 HB2 ARG 50 HB2 ARG 50 2.815 -4.218 12.699 406 HB3 ARG 50 HB1 ARG 50 2.883 -5.972 12.606 407 HG2 ARG 50 HG2 ARG 50 1.392 -6.248 14.255 408 HG3 ARG 50 HG1 ARG 50 2.052 -4.920 15.212 409 HD2 ARG 50 HD2 ARG 50 0.989 -3.479 13.259 410 HD3 ARG 50 HD1 ARG 50 -0.050 -4.896 13.112 411 HE ARG 50 HE ARG 50 0.178 -3.944 15.806 412 HH11 ARG 50 HH11 ARG 50 -1.503 -3.517 12.778 413 HH12 ARG 50 HH12 ARG 50 -2.909 -2.821 13.513 414 HH21 ARG 50 HH21 ARG 50 -1.669 -3.030 16.775 415 HH22 ARG 50 HH22 ARG 50 -3.003 -2.545 15.783 416 H ARG 51 HN ARG 51 5.710 -4.059 12.186 417 HA ARG 51 HA ARG 51 7.347 -4.707 10.748 418 HB2 ARG 51 HB2 ARG 51 8.233 -5.560 13.068 419 HB3 ARG 51 HB1 ARG 51 7.902 -7.147 12.389 420 HG2 ARG 51 HG2 ARG 51 10.089 -6.884 11.795 421 HG3 ARG 51 HG1 ARG 51 9.292 -6.224 10.365 422 HD2 ARG 51 HD2 ARG 51 10.746 -4.524 10.745 423 HD3 ARG 51 HD1 ARG 51 9.445 -3.991 11.809 424 HE ARG 51 HE ARG 51 10.963 -5.525 13.431 425 HH11 ARG 51 HH11 ARG 51 11.714 -2.871 11.293 426 HH12 ARG 51 HH12 ARG 51 13.048 -2.317 12.246 427 HH21 ARG 51 HH21 ARG 51 12.718 -4.798 14.687 428 HH22 ARG 51 HH22 ARG 51 13.620 -3.411 14.173 429 H TYR 52 HN TYR 52 4.539 -5.956 10.737 430 HA TYR 52 HA TYR 52 5.199 -8.130 8.863 431 HB2 TYR 52 HB2 TYR 52 3.947 -8.535 11.235 432 HB3 TYR 52 HB1 TYR 52 2.562 -8.255 10.186 433 HD1 TYR 52 HD2 TYR 52 5.430 -10.454 10.856 434 HD2 TYR 52 HD1 TYR 52 1.947 -9.848 8.488 435 HE1 TYR 52 HE2 TYR 52 5.569 -12.780 10.068 436 HE2 TYR 52 HE1 TYR 52 2.076 -12.173 7.693 437 HH TYR 52 HH TYR 52 3.935 -13.929 7.431 438 H CYS 53 HN CYS 53 3.870 -5.098 9.198 439 HA CYS 53 HA CYS 53 3.139 -3.923 7.188 440 HB2 CYS 53 HB2 CYS 53 2.958 -6.028 5.801 441 HB3 CYS 53 HB1 CYS 53 1.414 -6.355 6.575 442 HG CYS 53 HG CYS 53 0.893 -5.192 4.263 443 H VAL 54 HN VAL 54 1.858 -2.351 7.849 444 HA VAL 54 HA VAL 54 0.209 -2.357 10.017 445 HB VAL 54 HB VAL 54 -0.972 -0.394 8.982 446 HG11 VAL 54 HG11 VAL 54 0.851 0.219 10.259 447 HG12 VAL 54 HG12 VAL 54 1.257 0.916 8.691 448 HG13 VAL 54 HG13 VAL 54 2.001 -0.599 9.201 449 HG21 VAL 54 HG21 VAL 54 -1.062 -0.519 6.730 450 HG22 VAL 54 HG22 VAL 54 0.439 -1.437 6.614 451 HG23 VAL 54 HG23 VAL 54 0.489 0.313 6.831 452 H ARG 55 HN ARG 55 -1.356 -3.797 10.405 453 HA ARG 55 HA ARG 55 -3.124 -4.690 8.288 454 HB2 ARG 55 HB2 ARG 55 -2.112 -6.056 10.310 455 HB3 ARG 55 HB1 ARG 55 -3.527 -5.440 11.151 456 HG2 ARG 55 HG2 ARG 55 -4.399 -7.377 10.370 457 HG3 ARG 55 HG1 ARG 55 -4.744 -6.351 8.977 458 HD2 ARG 55 HD2 ARG 55 -2.409 -7.114 8.153 459 HD3 ARG 55 HD1 ARG 55 -2.605 -8.417 9.326 460 HE ARG 55 HE ARG 55 -4.126 -9.393 7.926 461 HH11 ARG 55 HH11 ARG 55 -3.692 -6.069 6.958 462 HH12 ARG 55 HH12 ARG 55 -4.632 -6.235 5.513 463 HH21 ARG 55 HH21 ARG 55 -5.365 -9.614 6.028 464 HH22 ARG 55 HH22 ARG 55 -5.585 -8.248 4.987 465 H SER 56 HN SER 56 -3.423 -2.996 11.403 466 HA SER 56 HA SER 56 -4.979 -1.533 12.189 467 HB2 SER 56 HB2 SER 56 -4.563 -0.569 9.840 468 HB3 SER 56 HB1 SER 56 -6.115 -1.285 9.417 469 HG SER 56 HG SER 56 -6.754 -0.096 11.510 470 H ASN 57 HN ASN 57 -5.511 -4.316 12.129 471 HA ASN 57 HA ASN 57 -8.296 -4.684 11.463 472 HB2 ASN 57 HB2 ASN 57 -6.074 -6.383 12.002 473 HB3 ASN 57 HB1 ASN 57 -7.334 -6.770 13.170 474 HD21 ASN 57 1HE2 ASN 57 -6.764 -6.288 9.718 475 HD22 ASN 57 2HE2 ASN 57 -7.949 -7.426 9.184 476 H SER 58 HN SER 58 -6.356 -4.028 14.285 477 HA SER 58 HA SER 58 -8.331 -4.513 16.256 478 HB2 SER 58 HB2 SER 58 -6.835 -2.963 17.643 479 HB3 SER 58 HB1 SER 58 -6.078 -4.418 16.994 480 HG SER 58 HG SER 58 -5.969 -1.862 15.747 481 H GLY 59 HN GLY 59 -7.956 -2.032 13.951 482 HA2 GLY 59 HA2 GLY 59 -9.350 -0.283 13.471 483 HA3 GLY 59 HA1 GLY 59 -10.249 -0.592 14.968 484 H ILE 60 HN ILE 60 -6.830 -0.297 14.838 485 HA ILE 60 HA ILE 60 -7.011 2.238 16.251 486 HB ILE 60 HB ILE 60 -4.505 0.738 15.420 487 HG12 ILE 60 HG12 ILE 60 -4.972 -0.785 17.009 488 HG13 ILE 60 HG11 ILE 60 -4.700 0.494 18.180 489 HG21 ILE 60 HG21 ILE 60 -5.011 2.991 17.350 490 HG22 ILE 60 HG22 ILE 60 -4.071 3.039 15.860 491 HG23 ILE 60 HG23 ILE 60 -3.485 2.115 17.242 492 HD11 ILE 60 HD11 ILE 60 -6.736 -0.359 18.824 493 HD12 ILE 60 HD12 ILE 60 -7.273 -0.624 17.165 494 HD13 ILE 60 HD13 ILE 60 -7.213 1.011 17.823 495 H ILE 61 HN ILE 61 -8.174 2.891 14.276 496 HA ILE 61 HA ILE 61 -6.995 2.886 11.750 497 HB ILE 61 HB ILE 61 -9.307 3.275 11.836 498 HG12 ILE 61 HG12 ILE 61 -7.881 4.707 10.209 499 HG13 ILE 61 HG11 ILE 61 -9.589 5.086 10.393 500 HG21 ILE 61 HG21 ILE 61 -8.767 5.603 13.663 501 HG22 ILE 61 HG22 ILE 61 -9.564 4.083 14.070 502 HG23 ILE 61 HG23 ILE 61 -10.340 5.219 12.969 503 HD11 ILE 61 HD11 ILE 61 -7.203 6.644 11.158 504 HD12 ILE 61 HD12 ILE 61 -8.591 6.740 12.237 505 HD13 ILE 61 HD13 ILE 61 -8.763 7.175 10.540 506 H ASP 62 HN ASP 62 -6.386 4.685 14.547 507 HA ASP 62 HA ASP 62 -5.082 6.878 13.266 508 HB2 ASP 62 HB2 ASP 62 -4.112 7.279 15.537 509 HB3 ASP 62 HB1 ASP 62 -5.870 7.169 15.555 510 H ALA 63 HN ALA 63 -4.462 3.544 14.031 511 HA ALA 63 HA ALA 63 -1.559 3.840 13.786 512 HB1 ALA 63 HB1 ALA 63 -3.282 1.393 14.120 513 HB2 ALA 63 HB2 ALA 63 -2.340 2.210 15.367 514 HB3 ALA 63 HB3 ALA 63 -1.522 1.380 14.044 515 H GLY 64 HN GLY 64 -4.284 2.808 11.841 516 HA2 GLY 64 HA2 GLY 64 -2.545 1.853 9.705 517 HA3 GLY 64 HA1 GLY 64 -4.299 1.770 9.736 518 H ALA 65 HN ALA 65 -1.721 4.212 9.691 519 HA ALA 65 HA ALA 65 -3.363 5.777 7.813 520 HB1 ALA 65 HB1 ALA 65 -2.765 7.674 8.858 521 HB2 ALA 65 HB2 ALA 65 -1.109 7.129 9.121 522 HB3 ALA 65 HB3 ALA 65 -2.396 6.596 10.202 523 H SER 66 HN SER 66 -0.167 4.483 8.461 524 HA SER 66 HA SER 66 1.003 5.635 6.100 525 HB2 SER 66 HB2 SER 66 2.027 3.521 8.006 526 HB3 SER 66 HB1 SER 66 2.971 4.234 6.698 527 HG SER 66 HG SER 66 1.743 5.792 8.716 528 H ILE 67 HN ILE 67 -1.375 3.756 5.880 529 HA ILE 67 HA ILE 67 -0.509 1.335 4.735 530 HB ILE 67 HB ILE 67 -2.816 1.684 5.507 531 HG12 ILE 67 HG12 ILE 67 -2.771 1.093 2.541 532 HG13 ILE 67 HG11 ILE 67 -2.222 -0.043 3.770 533 HG21 ILE 67 HG21 ILE 67 -3.190 3.956 4.853 534 HG22 ILE 67 HG22 ILE 67 -4.389 2.945 4.047 535 HG23 ILE 67 HG23 ILE 67 -2.997 3.549 3.148 536 HD11 ILE 67 HD11 ILE 67 -4.665 -0.116 2.789 537 HD12 ILE 67 HD12 ILE 67 -4.947 1.086 4.048 538 HD13 ILE 67 HD13 ILE 67 -4.329 -0.509 4.476 539 H ASN 68 HN ASN 68 -0.999 4.560 3.409 540 HA ASN 68 HA ASN 68 0.754 4.382 1.337 541 HB2 ASN 68 HB2 ASN 68 -0.551 2.527 0.423 542 HB3 ASN 68 HB1 ASN 68 -1.989 3.536 0.371 543 HD21 ASN 68 1HE2 ASN 68 -0.885 2.181 -1.819 544 HD22 ASN 68 2HE2 ASN 68 -0.356 3.359 -2.965 545 H VAL 69 HN VAL 69 -2.263 5.355 -0.003 546 HA VAL 69 HA VAL 69 -1.448 8.119 0.085 547 HB VAL 69 HB VAL 69 -3.489 8.475 -1.340 548 HG11 VAL 69 HG11 VAL 69 -1.904 8.327 -2.892 549 HG12 VAL 69 HG12 VAL 69 -2.320 6.623 -3.069 550 HG13 VAL 69 HG13 VAL 69 -1.030 7.105 -1.968 551 HG21 VAL 69 HG21 VAL 69 -3.595 5.470 -1.478 552 HG22 VAL 69 HG22 VAL 69 -4.712 6.634 -2.188 553 HG23 VAL 69 HG23 VAL 69 -4.656 6.421 -0.439 554 H SER 70 HN SER 70 -3.473 6.139 1.970 555 HA SER 70 HA SER 70 -5.609 7.772 2.602 556 HB2 SER 70 HB2 SER 70 -4.977 5.359 3.413 557 HB3 SER 70 HB1 SER 70 -4.252 6.214 4.774 558 HG SER 70 HG SER 70 -6.900 5.824 4.145 559 H VAL 71 HN VAL 71 -2.308 7.878 3.856 560 HA VAL 71 HA VAL 71 -2.583 9.605 5.987 561 HB VAL 71 HB VAL 71 -0.281 10.481 5.327 562 HG11 VAL 71 HG11 VAL 71 0.616 8.768 6.467 563 HG12 VAL 71 HG12 VAL 71 -0.008 7.561 5.342 564 HG13 VAL 71 HG13 VAL 71 -1.053 8.212 6.604 565 HG21 VAL 71 HG21 VAL 71 -0.024 8.248 3.420 566 HG22 VAL 71 HG22 VAL 71 0.743 9.835 3.422 567 HG23 VAL 71 HG23 VAL 71 -0.915 9.657 2.849 568 H MET 72 HN MET 72 -2.090 11.910 6.151 569 HA MET 72 HA MET 72 -3.147 13.416 3.850 570 HB2 MET 72 HB2 MET 72 -4.340 13.280 6.241 571 HB3 MET 72 HB1 MET 72 -3.228 14.602 6.574 572 HG2 MET 72 HG2 MET 72 -5.051 14.598 4.192 573 HG3 MET 72 HG1 MET 72 -5.547 15.217 5.766 574 HE1 MET 72 HE1 MET 72 -5.562 17.982 5.805 575 HE2 MET 72 HE2 MET 72 -6.199 17.218 4.349 576 HE3 MET 72 HE3 MET 72 -5.127 18.613 4.216 577 H LEU 73 HN LEU 73 -0.564 13.072 6.123 578 HA LEU 73 HA LEU 73 0.622 15.625 5.336 579 HB2 LEU 73 HB2 LEU 73 0.520 14.413 7.752 580 HB3 LEU 73 HB1 LEU 73 2.071 13.829 7.180 581 HG LEU 73 HG LEU 73 2.475 16.390 6.665 582 HD11 LEU 73 HD11 LEU 73 0.555 17.483 7.233 583 HD12 LEU 73 HD12 LEU 73 1.407 17.559 8.775 584 HD13 LEU 73 HD13 LEU 73 0.154 16.345 8.519 585 HD21 LEU 73 HD21 LEU 73 3.099 16.494 9.265 586 HD22 LEU 73 HD22 LEU 73 4.027 15.563 8.090 587 HD23 LEU 73 HD23 LEU 73 2.829 14.758 9.104 588 H GLN 74 HN GLN 74 1.951 12.345 5.845 589 HA GLN 74 HA GLN 74 3.240 12.511 3.229 590 HB2 GLN 74 HB2 GLN 74 4.668 12.170 5.856 591 HB3 GLN 74 HB1 GLN 74 5.375 11.635 4.337 592 HG2 GLN 74 HG2 GLN 74 5.717 13.760 3.584 593 HG3 GLN 74 HG1 GLN 74 4.375 14.424 4.515 594 HE21 GLN 74 1HE2 GLN 74 4.833 13.848 7.022 595 HE22 GLN 74 2HE2 GLN 74 6.354 14.458 7.571 596 HA PRO 75 HA PRO 75 1.910 8.279 3.007 597 HB2 PRO 75 HB2 PRO 75 4.114 7.905 1.082 598 HB3 PRO 75 HB1 PRO 75 2.376 7.697 0.854 599 HG2 PRO 75 HG2 PRO 75 3.683 9.762 -0.232 600 HG3 PRO 75 HG1 PRO 75 2.035 9.940 0.402 601 HD2 PRO 75 HD2 PRO 75 4.641 10.742 1.644 602 HD3 PRO 75 HD1 PRO 75 3.093 11.615 1.603 603 H PHE 76 HN PHE 76 5.073 9.238 3.924 604 HA PHE 76 HA PHE 76 5.867 6.501 4.560 605 HB2 PHE 76 HB2 PHE 76 7.993 7.872 5.384 606 HB3 PHE 76 HB1 PHE 76 7.757 7.446 3.695 607 HD1 PHE 76 HD1 PHE 76 6.945 9.154 2.096 608 HD2 PHE 76 HD2 PHE 76 7.993 10.131 6.103 609 HE1 PHE 76 HE1 PHE 76 7.101 11.529 1.472 610 HE2 PHE 76 HE2 PHE 76 8.150 12.508 5.487 611 HZ PHE 76 HZ PHE 76 7.703 13.209 3.169 612 H ASP 77 HN ASP 77 5.790 9.654 6.241 613 HA ASP 77 HA ASP 77 5.564 10.184 8.445 614 HB2 ASP 77 HB2 ASP 77 3.688 7.881 8.069 615 HB3 ASP 77 HB1 ASP 77 3.935 8.532 9.686 616 H TYR 78 HN TYR 78 7.904 8.834 7.891 617 HA TYR 78 HA TYR 78 8.256 6.743 9.871 618 HB2 TYR 78 HB2 TYR 78 10.425 6.434 8.952 619 HB3 TYR 78 HB1 TYR 78 9.341 6.699 7.592 620 HD1 TYR 78 HD1 TYR 78 9.419 8.830 6.349 621 HD2 TYR 78 HD2 TYR 78 12.176 7.988 9.476 622 HE1 TYR 78 HE1 TYR 78 10.862 10.657 5.559 623 HE2 TYR 78 HE2 TYR 78 13.628 9.813 8.695 624 HH TYR 78 HH TYR 78 13.144 11.385 5.679 625 H ASP 79 HN ASP 79 7.950 9.890 10.263 626 HA ASP 79 HA ASP 79 10.145 10.998 11.421 627 HB2 ASP 79 HB2 ASP 79 7.270 11.361 11.692 628 HB3 ASP 79 HB1 ASP 79 8.133 11.770 13.172 629 HA PRO 80 HA PRO 80 9.580 8.956 15.658 630 HB2 PRO 80 HB2 PRO 80 7.366 7.638 16.341 631 HB3 PRO 80 HB1 PRO 80 7.387 9.407 16.293 632 HG2 PRO 80 HG2 PRO 80 6.307 7.467 14.283 633 HG3 PRO 80 HG1 PRO 80 5.601 8.988 14.862 634 HD2 PRO 80 HD2 PRO 80 7.006 8.714 12.502 635 HD3 PRO 80 HD1 PRO 80 6.802 10.240 13.384 636 H ASN 81 HN ASN 81 11.071 7.650 14.129 637 HA ASN 81 HA ASN 81 11.338 5.064 14.892 638 HB2 ASN 81 HB2 ASN 81 9.189 5.299 12.921 639 HB3 ASN 81 HB1 ASN 81 10.423 4.137 12.452 640 HD21 ASN 81 1HE2 ASN 81 11.182 2.937 14.664 641 HD22 ASN 81 2HE2 ASN 81 9.862 2.160 15.464 642 H GLU 82 HN GLU 82 13.078 6.940 14.330 643 HA GLU 82 HA GLU 82 14.140 7.044 11.739 644 HB2 GLU 82 HB2 GLU 82 16.268 7.771 12.936 645 HB3 GLU 82 HB1 GLU 82 14.827 8.733 13.238 646 HG2 GLU 82 HG2 GLU 82 14.740 8.168 15.411 647 HG3 GLU 82 HG1 GLU 82 15.291 6.519 15.117 648 H LYS 83 HN LYS 83 14.632 4.714 14.339 649 HA LYS 83 HA LYS 83 16.946 3.477 13.297 650 HB2 LYS 83 HB2 LYS 83 14.689 2.468 15.029 651 HB3 LYS 83 HB1 LYS 83 16.010 1.418 14.535 652 HG2 LYS 83 HG2 LYS 83 16.834 3.979 15.712 653 HG3 LYS 83 HG1 LYS 83 15.983 2.885 16.804 654 HD2 LYS 83 HD2 LYS 83 17.665 1.135 15.692 655 HD3 LYS 83 HD1 LYS 83 18.632 2.598 15.503 656 HE2 LYS 83 HE2 LYS 83 19.252 1.638 17.580 657 HE3 LYS 83 HE1 LYS 83 18.247 3.039 17.950 658 HZ1 LYS 83 HZ1 LYS 83 17.592 1.206 19.322 659 HZ2 LYS 83 HZ2 LYS 83 17.397 0.194 17.981 660 HZ3 LYS 83 HZ3 LYS 83 16.353 1.506 18.208 661 H SER 84 HN SER 84 13.508 2.821 12.910 662 HA SER 84 HA SER 84 13.721 0.730 11.033 663 HB2 SER 84 HB2 SER 84 11.411 2.607 10.888 664 HB3 SER 84 HB1 SER 84 11.427 0.844 10.849 665 HG SER 84 HG SER 84 12.011 0.951 13.112 666 H LYS 85 HN LYS 85 14.152 4.115 10.705 667 HA LYS 85 HA LYS 85 14.334 5.518 8.882 668 HB2 LYS 85 HB2 LYS 85 16.515 4.684 8.990 669 HB3 LYS 85 HB1 LYS 85 16.070 3.145 8.273 670 HG2 LYS 85 HG2 LYS 85 16.108 3.973 6.145 671 HG3 LYS 85 HG1 LYS 85 15.692 5.610 6.656 672 HD2 LYS 85 HD2 LYS 85 17.951 5.862 7.608 673 HD3 LYS 85 HD1 LYS 85 18.358 4.245 7.030 674 HE2 LYS 85 HE2 LYS 85 18.608 4.930 4.899 675 HE3 LYS 85 HE1 LYS 85 17.251 6.052 4.995 676 HZ1 LYS 85 HZ1 LYS 85 19.742 6.675 6.426 677 HZ2 LYS 85 HZ2 LYS 85 18.577 7.726 5.794 678 HZ3 LYS 85 HZ3 LYS 85 19.660 6.943 4.757 679 H HIS 86 HN HIS 86 12.250 5.606 7.956 680 HA HIS 86 HA HIS 86 11.866 3.894 5.565 681 HB2 HIS 86 HB2 HIS 86 9.927 4.807 7.641 682 HB3 HIS 86 HB1 HIS 86 9.351 4.520 6.003 683 HD1 HIS 86 HD1 HIS 86 10.684 2.756 9.015 684 HD2 HIS 86 HD2 HIS 86 9.288 1.833 5.211 685 HE1 HIS 86 HE1 HIS 86 10.349 0.264 9.008 686 HE2 HIS 86 HE2 HIS 86 9.417 -0.260 6.726 687 H LYS 87 HN LYS 87 10.324 4.827 3.898 688 HA LYS 87 HA LYS 87 9.725 7.532 3.591 689 HB2 LYS 87 HB2 LYS 87 12.491 6.862 2.951 690 HB3 LYS 87 HB1 LYS 87 11.649 7.613 1.608 691 HG2 LYS 87 HG2 LYS 87 11.293 9.587 2.762 692 HG3 LYS 87 HG1 LYS 87 11.534 8.825 4.335 693 HD2 LYS 87 HD2 LYS 87 13.740 9.049 2.305 694 HD3 LYS 87 HD1 LYS 87 13.405 10.326 3.476 695 HE2 LYS 87 HE2 LYS 87 14.977 9.132 4.629 696 HE3 LYS 87 HE1 LYS 87 13.511 8.325 5.183 697 HZ1 LYS 87 HZ1 LYS 87 14.672 7.232 2.768 698 HZ2 LYS 87 HZ2 LYS 87 14.052 6.439 4.128 699 HZ3 LYS 87 HZ3 LYS 87 15.627 7.056 4.155 700 H PHE 88 HN PHE 88 8.258 7.692 1.831 701 HA PHE 88 HA PHE 88 7.700 5.297 0.379 702 HB2 PHE 88 HB2 PHE 88 6.281 7.592 1.105 703 HB3 PHE 88 HB1 PHE 88 6.258 7.558 -0.655 704 HD1 PHE 88 HD2 PHE 88 5.444 5.613 2.377 705 HD2 PHE 88 HD1 PHE 88 4.921 6.015 -1.827 706 HE1 PHE 88 HE2 PHE 88 3.661 3.919 2.441 707 HE2 PHE 88 HE1 PHE 88 3.135 4.323 -1.771 708 HZ PHE 88 HZ PHE 88 2.504 3.272 0.365 709 H MET 89 HN MET 89 8.719 8.560 -0.881 710 HA MET 89 HA MET 89 8.905 7.487 -3.553 711 HB2 MET 89 HB2 MET 89 9.169 10.147 -2.339 712 HB3 MET 89 HB1 MET 89 10.405 9.869 -3.548 713 HG2 MET 89 HG2 MET 89 8.625 9.388 -5.227 714 HG3 MET 89 HG1 MET 89 7.404 9.730 -4.005 715 HE1 MET 89 HE1 MET 89 7.660 12.036 -7.060 716 HE2 MET 89 HE2 MET 89 6.756 13.036 -5.929 717 HE3 MET 89 HE3 MET 89 6.417 11.312 -6.034 718 H VAL 90 HN VAL 90 11.069 8.148 -0.905 719 HA VAL 90 HA VAL 90 13.532 7.464 -2.212 720 HB VAL 90 HB VAL 90 13.284 7.480 0.758 721 HG11 VAL 90 HG11 VAL 90 15.393 8.948 -0.682 722 HG12 VAL 90 HG12 VAL 90 15.391 7.197 -0.889 723 HG13 VAL 90 HG13 VAL 90 15.499 7.895 0.727 724 HG21 VAL 90 HG21 VAL 90 12.702 9.746 -1.050 725 HG22 VAL 90 HG22 VAL 90 13.780 10.079 0.306 726 HG23 VAL 90 HG23 VAL 90 12.162 9.444 0.602 727 H GLN 91 HN GLN 91 11.090 5.533 -0.869 728 HA GLN 91 HA GLN 91 12.445 3.542 0.470 729 HB2 GLN 91 HB2 GLN 91 9.837 3.975 -0.392 730 HB3 GLN 91 HB1 GLN 91 10.282 2.435 -1.109 731 HG2 GLN 91 HG2 GLN 91 10.825 1.523 1.042 732 HG3 GLN 91 HG1 GLN 91 10.573 3.087 1.813 733 HE21 GLN 91 1HE2 GLN 91 9.180 1.404 3.041 734 HE22 GLN 91 2HE2 GLN 91 7.527 1.326 2.548 735 H SER 92 HN SER 92 12.682 4.117 -2.909 736 HA SER 92 HA SER 92 12.974 1.511 -3.878 737 HB2 SER 92 HB2 SER 92 12.879 3.784 -5.135 738 HB3 SER 92 HB1 SER 92 14.633 3.769 -4.951 739 HG SER 92 HG SER 92 14.502 1.600 -5.919 740 H MET 93 HN MET 93 15.188 3.359 -1.937 741 HA MET 93 HA MET 93 17.536 1.892 -2.637 742 HB2 MET 93 HB2 MET 93 17.698 4.193 -1.815 743 HB3 MET 93 HB1 MET 93 16.966 3.712 -0.291 744 HG2 MET 93 HG2 MET 93 19.055 2.001 -0.405 745 HG3 MET 93 HG1 MET 93 19.719 3.396 -1.254 746 HE1 MET 93 HE1 MET 93 20.627 1.925 1.216 747 HE2 MET 93 HE2 MET 93 19.433 2.019 2.511 748 HE3 MET 93 HE3 MET 93 20.883 3.021 2.574 749 H PHE 94 HN PHE 94 15.324 1.997 0.108 750 HA PHE 94 HA PHE 94 16.493 0.095 1.739 751 HB2 PHE 94 HB2 PHE 94 14.672 1.398 2.569 752 HB3 PHE 94 HB1 PHE 94 13.588 0.804 1.316 753 HD1 PHE 94 HD1 PHE 94 12.922 -1.626 1.362 754 HD2 PHE 94 HD2 PHE 94 14.861 0.295 4.624 755 HE1 PHE 94 HE1 PHE 94 12.150 -3.410 2.862 756 HE2 PHE 94 HE2 PHE 94 14.091 -1.489 6.136 757 HZ PHE 94 HZ PHE 94 12.734 -3.346 5.255 758 H ALA 95 HN ALA 95 14.899 -0.372 -1.281 759 HA ALA 95 HA ALA 95 15.717 -2.854 -1.876 760 HB1 ALA 95 HB1 ALA 95 13.521 -3.037 0.107 761 HB2 ALA 95 HB2 ALA 95 14.890 -4.113 -0.174 762 HB3 ALA 95 HB3 ALA 95 13.490 -4.170 -1.243 763 HA PRO 96 HA PRO 96 10.933 -2.417 -3.717 764 HB2 PRO 96 HB2 PRO 96 11.416 0.512 -3.313 765 HB3 PRO 96 HB1 PRO 96 9.886 -0.363 -3.444 766 HG2 PRO 96 HG2 PRO 96 11.123 0.306 -1.056 767 HG3 PRO 96 HG1 PRO 96 9.915 -0.973 -1.252 768 HD2 PRO 96 HD2 PRO 96 12.637 -1.295 -0.523 769 HD3 PRO 96 HD1 PRO 96 11.483 -2.576 -0.919 770 H THR 97 HN THR 97 12.533 -3.240 -5.300 771 HA THR 97 HA THR 97 13.962 -1.505 -7.035 772 HB THR 97 HB THR 97 12.935 -4.311 -7.526 773 HG1 THR 97 HG1 THR 97 15.105 -4.865 -6.954 774 HG21 THR 97 HG21 THR 97 15.224 -4.143 -8.934 775 HG22 THR 97 HG22 THR 97 14.591 -2.511 -9.145 776 HG23 THR 97 HG23 THR 97 13.617 -3.902 -9.620 777 H ASP 98 HN ASP 98 10.716 -2.389 -6.675 778 HA ASP 98 HA ASP 98 9.617 -2.226 -9.188 779 HB2 ASP 98 HB2 ASP 98 8.541 -1.571 -6.461 780 HB3 ASP 98 HB1 ASP 98 7.543 -1.398 -7.902 781 H THR 99 HN THR 99 11.031 0.348 -7.371 782 HA THR 99 HA THR 99 9.499 2.524 -8.163 783 HB THR 99 HB THR 99 12.512 2.441 -7.893 784 HG1 THR 99 HG1 THR 99 10.544 3.016 -5.936 785 HG21 THR 99 HG21 THR 99 12.232 4.561 -8.649 786 HG22 THR 99 HG22 THR 99 11.902 4.823 -6.936 787 HG23 THR 99 HG23 THR 99 10.566 4.667 -8.078 788 H SER 100 HN SER 100 12.296 1.082 -9.868 789 HA SER 100 HA SER 100 11.991 2.761 -12.165 790 HB2 SER 100 HB2 SER 100 13.257 0.094 -12.497 791 HB3 SER 100 HB1 SER 100 13.839 1.685 -12.988 792 HG SER 100 HG SER 100 14.381 2.073 -10.800 793 H ASP 101 HN ASP 101 10.596 -0.142 -10.996 794 HA ASP 101 HA ASP 101 9.554 -1.207 -13.400 795 HB2 ASP 101 HB2 ASP 101 9.898 -2.415 -11.182 796 HB3 ASP 101 HB1 ASP 101 8.401 -1.653 -10.655 797 H MET 102 HN MET 102 8.535 1.419 -11.404 798 HA MET 102 HA MET 102 5.783 1.368 -11.660 799 HB2 MET 102 HB2 MET 102 7.756 3.266 -10.901 800 HB3 MET 102 HB1 MET 102 6.702 4.068 -12.052 801 HG2 MET 102 HG2 MET 102 5.122 4.326 -10.522 802 HG3 MET 102 HG1 MET 102 5.138 2.607 -10.138 803 HE1 MET 102 HE1 MET 102 5.021 5.703 -8.948 804 HE2 MET 102 HE2 MET 102 6.552 6.211 -8.236 805 HE3 MET 102 HE3 MET 102 5.342 5.402 -7.240 806 H GLU 103 HN GLU 103 8.110 2.898 -13.915 807 HA GLU 103 HA GLU 103 6.100 3.521 -15.844 808 HB2 GLU 103 HB2 GLU 103 8.894 4.015 -15.498 809 HB3 GLU 103 HB1 GLU 103 8.650 3.325 -17.096 810 HG2 GLU 103 HG2 GLU 103 7.274 5.077 -17.775 811 HG3 GLU 103 HG1 GLU 103 6.972 5.603 -16.120 812 H ALA 104 HN ALA 104 8.308 0.878 -15.294 813 HA ALA 104 HA ALA 104 7.953 -0.468 -17.755 814 HB1 ALA 104 HB1 ALA 104 9.718 -0.687 -15.748 815 HB2 ALA 104 HB2 ALA 104 9.469 -1.930 -16.974 816 HB3 ALA 104 HB3 ALA 104 8.685 -2.074 -15.401 817 H VAL 105 HN VAL 105 5.995 -0.391 -14.887 818 HA VAL 105 HA VAL 105 4.834 -2.910 -14.947 819 HB VAL 105 HB VAL 105 3.541 -0.287 -14.183 820 HG11 VAL 105 HG11 VAL 105 2.402 -2.419 -12.743 821 HG12 VAL 105 HG12 VAL 105 2.387 -2.897 -14.440 822 HG13 VAL 105 HG13 VAL 105 1.627 -1.387 -13.944 823 HG21 VAL 105 HG21 VAL 105 5.007 -0.394 -12.503 824 HG22 VAL 105 HG22 VAL 105 5.458 -2.054 -12.889 825 HG23 VAL 105 HG23 VAL 105 4.037 -1.735 -11.895 826 H TRP 106 HN TRP 106 3.571 0.043 -16.544 827 HA TRP 106 HA TRP 106 1.632 -1.549 -17.992 828 HB2 TRP 106 HB2 TRP 106 1.829 1.153 -17.223 829 HB3 TRP 106 HB1 TRP 106 1.891 1.156 -18.983 830 HD1 TRP 106 HD1 TRP 106 -0.458 0.517 -16.073 831 HE1 TRP 106 HE1 TRP 106 -2.847 0.199 -16.974 832 HE3 TRP 106 HE3 TRP 106 0.586 0.275 -21.071 833 HZ2 TRP 106 HZ2 TRP 106 -4.121 -0.113 -19.474 834 HZ3 TRP 106 HZ3 TRP 106 -1.274 -0.034 -22.651 835 HH2 TRP 106 HH2 TRP 106 -3.578 -0.226 -21.867 836 H LYS 107 HN LYS 107 4.743 -0.085 -18.566 837 HA LYS 107 HA LYS 107 4.709 -0.163 -21.389 838 HB2 LYS 107 HB2 LYS 107 6.345 1.031 -19.752 839 HB3 LYS 107 HB1 LYS 107 7.225 -0.491 -19.788 840 HG2 LYS 107 HG2 LYS 107 8.140 1.093 -21.384 841 HG3 LYS 107 HG1 LYS 107 7.459 -0.313 -22.206 842 HD2 LYS 107 HD2 LYS 107 6.062 0.975 -23.367 843 HD3 LYS 107 HD1 LYS 107 5.447 1.715 -21.888 844 HE2 LYS 107 HE2 LYS 107 7.630 3.104 -21.963 845 HE3 LYS 107 HE1 LYS 107 7.702 2.598 -23.651 846 HZ1 LYS 107 HZ1 LYS 107 5.309 3.468 -23.749 847 HZ2 LYS 107 HZ2 LYS 107 6.566 4.599 -23.722 848 HZ3 LYS 107 HZ3 LYS 107 5.683 4.283 -22.314 849 H GLU 108 HN GLU 108 5.951 -2.455 -18.970 850 HA GLU 108 HA GLU 108 6.503 -4.390 -21.085 851 HB2 GLU 108 HB2 GLU 108 7.326 -4.063 -18.257 852 HB3 GLU 108 HB1 GLU 108 7.214 -5.710 -18.863 853 HG2 GLU 108 HG2 GLU 108 8.747 -3.606 -20.342 854 HG3 GLU 108 HG1 GLU 108 9.466 -4.508 -19.010 855 H ALA 109 HN ALA 109 4.015 -3.635 -18.897 856 HA ALA 109 HA ALA 109 1.966 -4.587 -18.596 857 HB1 ALA 109 HB1 ALA 109 2.307 -5.410 -20.964 858 HB2 ALA 109 HB2 ALA 109 1.205 -6.353 -19.962 859 HB3 ALA 109 HB3 ALA 109 2.841 -6.935 -20.260 860 H LYS 110 HN LYS 110 1.373 -7.399 -18.291 861 HA LYS 110 HA LYS 110 1.866 -7.749 -15.606 862 HB2 LYS 110 HB2 LYS 110 0.112 -8.945 -16.741 863 HB3 LYS 110 HB1 LYS 110 1.280 -9.820 -17.719 864 HG2 LYS 110 HG2 LYS 110 1.572 -10.097 -14.798 865 HG3 LYS 110 HG1 LYS 110 0.135 -10.828 -15.518 866 HD2 LYS 110 HD2 LYS 110 2.927 -11.297 -16.550 867 HD3 LYS 110 HD1 LYS 110 2.149 -12.332 -15.350 868 HE2 LYS 110 HE2 LYS 110 0.578 -13.117 -16.858 869 HE3 LYS 110 HE1 LYS 110 0.761 -11.727 -17.928 870 HZ1 LYS 110 HZ1 LYS 110 2.302 -14.185 -17.799 871 HZ2 LYS 110 HZ2 LYS 110 3.198 -12.775 -18.062 872 HZ3 LYS 110 HZ3 LYS 110 1.952 -13.193 -19.125 873 HA PRO 111 HA PRO 111 5.474 -10.920 -17.013 874 HB2 PRO 111 HB2 PRO 111 6.588 -8.916 -18.937 875 HB3 PRO 111 HB1 PRO 111 6.695 -10.680 -18.960 876 HG2 PRO 111 HG2 PRO 111 4.981 -9.421 -20.550 877 HG3 PRO 111 HG1 PRO 111 4.528 -10.937 -19.748 878 HD2 PRO 111 HD2 PRO 111 3.699 -8.147 -19.134 879 HD3 PRO 111 HD1 PRO 111 2.791 -9.662 -18.949 880 H GLU 112 HN GLU 112 5.799 -7.369 -17.037 881 HA GLU 112 HA GLU 112 8.275 -7.412 -15.601 882 HB2 GLU 112 HB2 GLU 112 6.660 -5.457 -16.918 883 HB3 GLU 112 HB1 GLU 112 7.010 -4.888 -15.293 884 HG2 GLU 112 HG2 GLU 112 8.985 -5.672 -17.418 885 HG3 GLU 112 HG1 GLU 112 8.697 -4.064 -16.757 886 H ASP 113 HN ASP 113 4.888 -6.951 -14.737 887 HA ASP 113 HA ASP 113 5.312 -6.183 -12.058 888 HB2 ASP 113 HB2 ASP 113 2.966 -7.408 -13.496 889 HB3 ASP 113 HB1 ASP 113 2.910 -7.048 -11.773 890 H LEU 114 HN LEU 114 4.798 -9.354 -13.556 891 HA LEU 114 HA LEU 114 4.601 -10.875 -11.226 892 HB2 LEU 114 HB2 LEU 114 4.082 -11.779 -13.419 893 HB3 LEU 114 HB1 LEU 114 5.757 -11.622 -13.911 894 HG LEU 114 HG LEU 114 6.190 -13.221 -11.865 895 HD11 LEU 114 HD11 LEU 114 4.210 -13.623 -10.838 896 HD12 LEU 114 HD12 LEU 114 4.126 -14.894 -12.058 897 HD13 LEU 114 HD13 LEU 114 3.267 -13.373 -12.308 898 HD21 LEU 114 HD21 LEU 114 4.960 -14.668 -14.127 899 HD22 LEU 114 HD22 LEU 114 6.556 -14.841 -13.399 900 HD23 LEU 114 HD23 LEU 114 6.240 -13.523 -14.527 901 H MET 115 HN MET 115 7.436 -9.735 -12.980 902 HA MET 115 HA MET 115 9.314 -11.228 -11.432 903 HB2 MET 115 HB2 MET 115 9.605 -8.875 -13.296 904 HB3 MET 115 HB1 MET 115 10.974 -9.616 -12.478 905 HG2 MET 115 HG2 MET 115 10.017 -11.812 -13.541 906 HG3 MET 115 HG1 MET 115 9.263 -10.682 -14.664 907 HE1 MET 115 HE1 MET 115 12.903 -12.612 -14.244 908 HE2 MET 115 HE2 MET 115 12.286 -11.728 -12.848 909 HE3 MET 115 HE3 MET 115 13.674 -11.108 -13.742 910 H ASP 116 HN ASP 116 8.281 -7.823 -11.417 911 HA ASP 116 HA ASP 116 9.951 -7.112 -9.221 912 HB2 ASP 116 HB2 ASP 116 7.897 -5.787 -10.878 913 HB3 ASP 116 HB1 ASP 116 8.067 -5.159 -9.241 914 H SER 117 HN SER 117 6.687 -8.295 -9.551 915 HA SER 117 HA SER 117 5.784 -7.656 -6.936 916 HB2 SER 117 HB2 SER 117 4.919 -9.744 -8.929 917 HB3 SER 117 HB1 SER 117 4.062 -9.434 -7.419 918 HG SER 117 HG SER 117 3.362 -7.553 -8.177 919 H LYS 118 HN LYS 118 7.053 -10.631 -8.401 920 HA LYS 118 HA LYS 118 7.035 -12.148 -6.010 921 HB2 LYS 118 HB2 LYS 118 7.373 -12.812 -8.578 922 HB3 LYS 118 HB1 LYS 118 9.066 -12.721 -8.113 923 HG2 LYS 118 HG2 LYS 118 8.976 -14.657 -7.025 924 HG3 LYS 118 HG1 LYS 118 7.481 -14.217 -6.199 925 HD2 LYS 118 HD2 LYS 118 6.622 -14.637 -8.764 926 HD3 LYS 118 HD1 LYS 118 7.901 -15.843 -8.597 927 HE2 LYS 118 HE2 LYS 118 5.829 -15.522 -6.461 928 HE3 LYS 118 HE1 LYS 118 5.472 -16.453 -7.915 929 HZ1 LYS 118 HZ1 LYS 118 6.846 -18.109 -7.301 930 HZ2 LYS 118 HZ2 LYS 118 6.570 -17.506 -5.744 931 HZ3 LYS 118 HZ3 LYS 118 7.977 -17.077 -6.580 932 H LEU 119 HN LEU 119 9.207 -9.871 -7.439 933 HA LEU 119 HA LEU 119 11.493 -10.496 -5.843 934 HB2 LEU 119 HB2 LEU 119 11.495 -9.262 -8.044 935 HB3 LEU 119 HB1 LEU 119 10.884 -7.866 -7.178 936 HG LEU 119 HG LEU 119 13.062 -8.427 -5.679 937 HD11 LEU 119 HD11 LEU 119 13.827 -10.258 -7.025 938 HD12 LEU 119 HD12 LEU 119 14.916 -8.892 -7.265 939 HD13 LEU 119 HD13 LEU 119 13.713 -9.286 -8.492 940 HD21 LEU 119 HD21 LEU 119 14.193 -6.641 -6.963 941 HD22 LEU 119 HD22 LEU 119 12.522 -6.249 -6.558 942 HD23 LEU 119 HD23 LEU 119 12.934 -6.767 -8.192 943 H ARG 120 HN ARG 120 8.941 -8.039 -5.615 944 HA ARG 120 HA ARG 120 9.995 -6.837 -3.258 945 HB2 ARG 120 HB2 ARG 120 8.416 -5.767 -4.937 946 HB3 ARG 120 HB1 ARG 120 7.131 -6.705 -4.189 947 HG2 ARG 120 HG2 ARG 120 6.925 -4.733 -3.060 948 HG3 ARG 120 HG1 ARG 120 8.026 -5.602 -1.989 949 HD2 ARG 120 HD2 ARG 120 8.792 -3.565 -4.077 950 HD3 ARG 120 HD1 ARG 120 8.793 -3.324 -2.333 951 HE ARG 120 HE ARG 120 10.697 -4.685 -2.160 952 HH11 ARG 120 HH11 ARG 120 9.653 -4.331 -5.480 953 HH12 ARG 120 HH12 ARG 120 11.159 -4.875 -6.136 954 HH21 ARG 120 HH21 ARG 120 12.670 -5.400 -3.030 955 HH22 ARG 120 HH22 ARG 120 12.868 -5.485 -4.749 956 H CYS 121 HN CYS 121 7.633 -9.358 -3.890 957 HA CYS 121 HA CYS 121 6.565 -9.558 -1.299 958 HB2 CYS 121 HB2 CYS 121 6.773 -11.452 -3.618 959 HB3 CYS 121 HB1 CYS 121 6.141 -12.011 -2.073 960 HG CYS 121 HG CYS 121 4.763 -9.625 -3.500 961 H VAL 122 HN VAL 122 9.365 -11.082 -2.815 962 HA VAL 122 HA VAL 122 9.974 -12.730 -0.552 963 HB VAL 122 HB VAL 122 10.669 -13.387 -2.805 964 HG11 VAL 122 HG11 VAL 122 11.146 -11.241 -3.780 965 HG12 VAL 122 HG12 VAL 122 12.589 -12.248 -3.875 966 HG13 VAL 122 HG13 VAL 122 12.478 -10.980 -2.654 967 HG21 VAL 122 HG21 VAL 122 13.301 -13.000 -1.553 968 HG22 VAL 122 HG22 VAL 122 12.483 -14.483 -2.047 969 HG23 VAL 122 HG23 VAL 122 12.070 -13.716 -0.514 970 H PHE 123 HN PHE 123 11.129 -9.621 -1.772 971 HA PHE 123 HA PHE 123 13.235 -9.337 0.112 972 HB2 PHE 123 HB2 PHE 123 12.165 -7.852 -2.088 973 HB3 PHE 123 HB1 PHE 123 12.340 -6.770 -0.710 974 HD1 PHE 123 HD1 PHE 123 14.720 -7.728 0.618 975 HD2 PHE 123 HD2 PHE 123 13.887 -7.410 -3.542 976 HE1 PHE 123 HE1 PHE 123 17.128 -7.532 0.155 977 HE2 PHE 123 HE2 PHE 123 16.294 -7.214 -4.014 978 HZ PHE 123 HZ PHE 123 17.918 -7.275 -2.164 979 H GLU 124 HN GLU 124 9.847 -8.376 0.076 980 HA GLU 124 HA GLU 124 9.898 -6.695 2.328 981 HB2 GLU 124 HB2 GLU 124 7.845 -8.060 0.722 982 HB3 GLU 124 HB1 GLU 124 7.380 -7.758 2.391 983 HG2 GLU 124 HG2 GLU 124 7.798 -5.399 2.126 984 HG3 GLU 124 HG1 GLU 124 8.399 -5.661 0.489 985 H LEU 125 HN LEU 125 9.273 -10.170 2.012 986 HA LEU 125 HA LEU 125 9.350 -11.875 3.515 987 HB2 LEU 125 HB2 LEU 125 11.451 -10.211 4.181 988 HB3 LEU 125 HB1 LEU 125 10.609 -10.408 5.706 989 HG LEU 125 HG LEU 125 12.317 -12.070 5.595 990 HD11 LEU 125 HD11 LEU 125 11.066 -13.807 6.299 991 HD12 LEU 125 HD12 LEU 125 10.059 -13.811 4.851 992 HD13 LEU 125 HD13 LEU 125 9.749 -12.645 6.138 993 HD21 LEU 125 HD21 LEU 125 12.996 -12.460 3.470 994 HD22 LEU 125 HD22 LEU 125 11.364 -12.356 2.812 995 HD23 LEU 125 HD23 LEU 125 11.896 -13.830 3.622 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -13.876 11.785 -1.784 2 H2 MET 1 HT2 MET 1 -14.247 11.134 -0.240 3 H3 MET 1 HT3 MET 1 -13.030 10.410 -1.210 4 HA MET 1 HA MET 1 -12.873 13.190 -0.293 5 HB2 MET 1 HB2 MET 1 -12.330 10.625 1.129 6 HB3 MET 1 HB1 MET 1 -11.197 11.949 1.368 7 HG2 MET 1 HG2 MET 1 -12.548 12.732 2.930 8 HG3 MET 1 HG1 MET 1 -13.719 13.095 1.663 9 HE1 MET 1 HE1 MET 1 -15.093 11.258 5.080 10 HE2 MET 1 HE2 MET 1 -15.664 12.598 4.086 11 HE3 MET 1 HE3 MET 1 -14.007 12.590 4.687 12 H ALA 2 HN ALA 2 -11.049 10.196 -0.966 13 HA ALA 2 HA ALA 2 -8.929 11.837 -2.173 14 HB1 ALA 2 HB1 ALA 2 -7.806 9.413 -2.074 15 HB2 ALA 2 HB2 ALA 2 -8.968 9.238 -0.760 16 HB3 ALA 2 HB3 ALA 2 -7.777 10.538 -0.716 17 H LYS 3 HN LYS 3 -10.310 12.120 -4.075 18 HA LYS 3 HA LYS 3 -11.189 11.545 -6.123 19 HB2 LYS 3 HB2 LYS 3 -8.681 9.977 -6.570 20 HB3 LYS 3 HB1 LYS 3 -9.499 11.104 -7.643 21 HG2 LYS 3 HG2 LYS 3 -8.678 12.979 -6.441 22 HG3 LYS 3 HG1 LYS 3 -8.078 11.955 -5.135 23 HD2 LYS 3 HD2 LYS 3 -7.057 11.401 -7.861 24 HD3 LYS 3 HD1 LYS 3 -6.504 12.885 -7.082 25 HE2 LYS 3 HE2 LYS 3 -5.234 11.775 -5.600 26 HE3 LYS 3 HE1 LYS 3 -6.448 10.522 -5.352 27 HZ1 LYS 3 HZ1 LYS 3 -4.220 9.921 -6.469 28 HZ2 LYS 3 HZ2 LYS 3 -4.905 10.599 -7.859 29 HZ3 LYS 3 HZ3 LYS 3 -5.652 9.281 -7.103 30 H VAL 4 HN VAL 4 -12.668 10.003 -4.794 31 HA VAL 4 HA VAL 4 -12.326 7.266 -4.682 32 HB VAL 4 HB VAL 4 -14.962 8.608 -5.278 33 HG11 VAL 4 HG11 VAL 4 -15.267 6.291 -5.394 34 HG12 VAL 4 HG12 VAL 4 -15.741 6.707 -3.746 35 HG13 VAL 4 HG13 VAL 4 -14.161 5.987 -4.054 36 HG21 VAL 4 HG21 VAL 4 -14.954 8.343 -2.598 37 HG22 VAL 4 HG22 VAL 4 -14.476 9.820 -3.435 38 HG23 VAL 4 HG23 VAL 4 -13.247 8.683 -2.880 39 H GLU 5 HN GLU 5 -13.648 9.190 -7.372 40 HA GLU 5 HA GLU 5 -14.312 7.009 -9.023 41 HB2 GLU 5 HB2 GLU 5 -14.615 9.739 -9.156 42 HB3 GLU 5 HB1 GLU 5 -13.455 9.429 -10.440 43 HG2 GLU 5 HG2 GLU 5 -15.245 9.037 -11.702 44 HG3 GLU 5 HG1 GLU 5 -15.305 7.479 -10.880 45 H GLN 6 HN GLN 6 -11.403 9.067 -8.951 46 HA GLN 6 HA GLN 6 -10.053 7.698 -11.033 47 HB2 GLN 6 HB2 GLN 6 -9.425 9.805 -9.081 48 HB3 GLN 6 HB1 GLN 6 -8.042 8.816 -9.524 49 HG2 GLN 6 HG2 GLN 6 -9.117 9.348 -11.962 50 HG3 GLN 6 HG1 GLN 6 -9.509 10.822 -11.077 51 HE21 GLN 6 1HE2 GLN 6 -8.064 12.329 -11.630 52 HE22 GLN 6 2HE2 GLN 6 -6.352 12.102 -11.712 53 H VAL 7 HN VAL 7 -10.039 7.365 -7.519 54 HA VAL 7 HA VAL 7 -7.997 5.330 -7.550 55 HB VAL 7 HB VAL 7 -8.235 5.241 -5.157 56 HG11 VAL 7 HG11 VAL 7 -6.887 7.040 -5.886 57 HG12 VAL 7 HG12 VAL 7 -7.932 7.693 -4.625 58 HG13 VAL 7 HG13 VAL 7 -8.290 8.015 -6.322 59 HG21 VAL 7 HG21 VAL 7 -10.858 6.442 -5.732 60 HG22 VAL 7 HG22 VAL 7 -10.022 7.096 -4.324 61 HG23 VAL 7 HG23 VAL 7 -10.361 5.369 -4.425 62 H LEU 8 HN LEU 8 -11.428 5.323 -7.831 63 HA LEU 8 HA LEU 8 -12.117 2.955 -6.548 64 HB2 LEU 8 HB2 LEU 8 -13.298 4.715 -8.491 65 HB3 LEU 8 HB1 LEU 8 -13.635 3.049 -8.923 66 HG LEU 8 HG LEU 8 -14.282 4.349 -6.275 67 HD11 LEU 8 HD11 LEU 8 -15.765 5.178 -7.938 68 HD12 LEU 8 HD12 LEU 8 -16.633 3.937 -7.036 69 HD13 LEU 8 HD13 LEU 8 -15.982 3.572 -8.633 70 HD21 LEU 8 HD21 LEU 8 -15.681 2.110 -6.203 71 HD22 LEU 8 HD22 LEU 8 -14.011 2.173 -5.639 72 HD23 LEU 8 HD23 LEU 8 -14.377 1.542 -7.246 73 H SER 9 HN SER 9 -11.079 3.390 -9.926 74 HA SER 9 HA SER 9 -10.442 1.865 -11.521 75 HB2 SER 9 HB2 SER 9 -8.700 0.196 -10.312 76 HB3 SER 9 HB1 SER 9 -8.321 1.873 -10.703 77 HG SER 9 HG SER 9 -9.338 0.945 -8.207 78 H LEU 10 HN LEU 10 -12.858 0.986 -9.861 79 HA LEU 10 HA LEU 10 -12.548 -1.884 -9.778 80 HB2 LEU 10 HB2 LEU 10 -13.814 -0.937 -8.038 81 HB3 LEU 10 HB1 LEU 10 -14.842 -0.061 -9.154 82 HG LEU 10 HG LEU 10 -15.390 -2.585 -9.927 83 HD11 LEU 10 HD11 LEU 10 -15.335 -4.141 -8.224 84 HD12 LEU 10 HD12 LEU 10 -15.173 -2.913 -6.968 85 HD13 LEU 10 HD13 LEU 10 -13.800 -3.298 -8.007 86 HD21 LEU 10 HD21 LEU 10 -17.332 -2.427 -8.281 87 HD22 LEU 10 HD22 LEU 10 -17.137 -1.104 -9.430 88 HD23 LEU 10 HD23 LEU 10 -16.609 -0.906 -7.759 89 H GLU 11 HN GLU 11 -13.674 0.417 -12.113 90 HA GLU 11 HA GLU 11 -15.485 -1.280 -13.487 91 HB2 GLU 11 HB2 GLU 11 -14.212 1.297 -13.954 92 HB3 GLU 11 HB1 GLU 11 -14.322 0.353 -15.433 93 HG2 GLU 11 HG2 GLU 11 -16.710 0.664 -13.671 94 HG3 GLU 11 HG1 GLU 11 -16.245 1.953 -14.781 95 HA PRO 12 HA PRO 12 -11.680 -2.909 -15.780 96 HB2 PRO 12 HB2 PRO 12 -9.367 -1.570 -15.721 97 HB3 PRO 12 HB1 PRO 12 -10.731 -0.952 -16.660 98 HG2 PRO 12 HG2 PRO 12 -9.579 0.062 -14.145 99 HG3 PRO 12 HG1 PRO 12 -10.576 0.902 -15.342 100 HD2 PRO 12 HD2 PRO 12 -11.393 -0.351 -12.849 101 HD3 PRO 12 HD1 PRO 12 -12.354 0.647 -13.956 102 H GLN 13 HN GLN 13 -11.203 -4.780 -14.608 103 HA GLN 13 HA GLN 13 -10.363 -4.723 -11.929 104 HB2 GLN 13 HB2 GLN 13 -10.217 -6.878 -14.046 105 HB3 GLN 13 HB1 GLN 13 -9.689 -7.150 -12.391 106 HG2 GLN 13 HG2 GLN 13 -11.966 -6.495 -11.629 107 HG3 GLN 13 HG1 GLN 13 -12.457 -6.436 -13.322 108 HE21 GLN 13 1HE2 GLN 13 -12.358 -8.397 -14.551 109 HE22 GLN 13 2HE2 GLN 13 -12.525 -9.923 -13.760 110 H HIS 14 HN HIS 14 -8.597 -4.268 -14.852 111 HA HIS 14 HA HIS 14 -6.404 -3.914 -15.314 112 HB2 HIS 14 HB2 HIS 14 -6.903 -2.812 -12.717 113 HB3 HIS 14 HB1 HIS 14 -5.267 -3.460 -12.756 114 HD1 HIS 14 HD1 HIS 14 -4.796 -0.764 -12.496 115 HD2 HIS 14 HD2 HIS 14 -6.121 -2.132 -16.189 116 HE1 HIS 14 HE1 HIS 14 -4.209 1.051 -14.134 117 HE2 HIS 14 HE2 HIS 14 -5.104 0.242 -16.346 118 H GLU 15 HN GLU 15 -4.305 -4.825 -15.263 119 HA GLU 15 HA GLU 15 -4.003 -7.262 -13.657 120 HB2 GLU 15 HB2 GLU 15 -2.933 -8.314 -15.707 121 HB3 GLU 15 HB1 GLU 15 -4.680 -8.123 -15.760 122 HG2 GLU 15 HG2 GLU 15 -4.450 -6.155 -17.153 123 HG3 GLU 15 HG1 GLU 15 -2.693 -6.268 -17.054 124 H LEU 16 HN LEU 16 -2.774 -5.393 -12.543 125 HA LEU 16 HA LEU 16 -0.413 -4.338 -13.590 126 HB2 LEU 16 HB2 LEU 16 -1.199 -4.950 -10.739 127 HB3 LEU 16 HB1 LEU 16 0.267 -4.088 -11.165 128 HG LEU 16 HG LEU 16 -1.347 -2.467 -10.522 129 HD11 LEU 16 HD11 LEU 16 -1.670 -1.171 -12.606 130 HD12 LEU 16 HD12 LEU 16 -1.108 -2.569 -13.520 131 HD13 LEU 16 HD13 LEU 16 -0.025 -1.761 -12.387 132 HD21 LEU 16 HD21 LEU 16 -3.560 -2.342 -11.267 133 HD22 LEU 16 HD22 LEU 16 -3.296 -4.057 -10.952 134 HD23 LEU 16 HD23 LEU 16 -3.266 -3.450 -12.608 135 H LYS 17 HN LYS 17 0.257 -6.249 -10.776 136 HA LYS 17 HA LYS 17 2.417 -7.563 -12.124 137 HB2 LYS 17 HB2 LYS 17 1.450 -8.173 -9.339 138 HB3 LYS 17 HB1 LYS 17 3.068 -8.362 -9.995 139 HG2 LYS 17 HG2 LYS 17 3.622 -6.324 -9.331 140 HG3 LYS 17 HG1 LYS 17 2.282 -5.628 -10.240 141 HD2 LYS 17 HD2 LYS 17 0.846 -5.689 -8.415 142 HD3 LYS 17 HD1 LYS 17 1.800 -6.919 -7.581 143 HE2 LYS 17 HE2 LYS 17 2.456 -5.121 -6.366 144 HE3 LYS 17 HE1 LYS 17 3.623 -4.974 -7.679 145 HZ1 LYS 17 HZ1 LYS 17 2.736 -2.857 -7.475 146 HZ2 LYS 17 HZ2 LYS 17 1.159 -3.415 -7.222 147 HZ3 LYS 17 HZ3 LYS 17 1.851 -3.508 -8.763 148 H PHE 18 HN PHE 18 -0.782 -8.212 -12.162 149 HA PHE 18 HA PHE 18 -2.006 -9.981 -12.855 150 HB2 PHE 18 HB2 PHE 18 -0.142 -10.429 -14.397 151 HB3 PHE 18 HB1 PHE 18 0.647 -11.402 -13.163 152 HD1 PHE 18 HD1 PHE 18 -2.090 -11.234 -15.571 153 HD2 PHE 18 HD2 PHE 18 -0.187 -13.601 -12.591 154 HE1 PHE 18 HE1 PHE 18 -3.322 -13.212 -16.361 155 HE2 PHE 18 HE2 PHE 18 -1.415 -15.583 -13.375 156 HZ PHE 18 HZ PHE 18 -2.984 -15.391 -15.264 157 H ARG 19 HN ARG 19 0.512 -12.011 -11.404 158 HA ARG 19 HA ARG 19 -1.275 -13.565 -9.944 159 HB2 ARG 19 HB2 ARG 19 1.648 -13.207 -10.031 160 HB3 ARG 19 HB1 ARG 19 1.027 -13.853 -8.518 161 HG2 ARG 19 HG2 ARG 19 0.622 -15.009 -11.268 162 HG3 ARG 19 HG1 ARG 19 1.642 -15.658 -9.984 163 HD2 ARG 19 HD2 ARG 19 -0.511 -15.742 -8.589 164 HD3 ARG 19 HD1 ARG 19 -1.353 -15.531 -10.124 165 HE ARG 19 HE ARG 19 -0.833 -17.695 -10.676 166 HH11 ARG 19 HH11 ARG 19 1.082 -16.728 -7.924 167 HH12 ARG 19 HH12 ARG 19 1.673 -18.327 -7.617 168 HH21 ARG 19 HH21 ARG 19 -0.059 -19.798 -10.272 169 HH22 ARG 19 HH22 ARG 19 1.026 -20.069 -8.950 170 H GLY 20 HN GLY 20 -2.717 -12.280 -8.786 171 HA2 GLY 20 HA2 GLY 20 -3.045 -11.881 -6.363 172 HA3 GLY 20 HA1 GLY 20 -1.550 -10.970 -6.393 173 HA PRO 21 HA PRO 21 -3.108 -6.947 -7.136 174 HB2 PRO 21 HB2 PRO 21 -2.793 -7.101 -10.050 175 HB3 PRO 21 HB1 PRO 21 -2.045 -5.997 -8.898 176 HG2 PRO 21 HG2 PRO 21 -0.956 -8.413 -10.050 177 HG3 PRO 21 HG1 PRO 21 -0.156 -7.219 -9.023 178 HD2 PRO 21 HD2 PRO 21 -0.702 -9.784 -8.243 179 HD3 PRO 21 HD1 PRO 21 -0.552 -8.426 -7.112 180 H PHE 22 HN PHE 22 -4.100 -9.288 -9.620 181 HA PHE 22 HA PHE 22 -6.586 -8.009 -10.129 182 HB2 PHE 22 HB2 PHE 22 -5.208 -9.784 -11.526 183 HB3 PHE 22 HB1 PHE 22 -6.201 -10.929 -10.634 184 HD1 PHE 22 HD2 PHE 22 -8.699 -10.769 -10.818 185 HD2 PHE 22 HD1 PHE 22 -6.063 -8.595 -13.355 186 HE1 PHE 22 HE2 PHE 22 -10.531 -10.430 -12.424 187 HE2 PHE 22 HE1 PHE 22 -7.891 -8.250 -14.966 188 HZ PHE 22 HZ PHE 22 -10.129 -9.169 -14.502 189 H THR 23 HN THR 23 -5.804 -11.051 -8.444 190 HA THR 23 HA THR 23 -8.435 -11.385 -7.426 191 HB THR 23 HB THR 23 -6.157 -12.756 -6.110 192 HG1 THR 23 HG1 THR 23 -5.924 -14.102 -7.942 193 HG21 THR 23 HG21 THR 23 -7.580 -14.746 -6.593 194 HG22 THR 23 HG22 THR 23 -8.803 -13.641 -7.218 195 HG23 THR 23 HG23 THR 23 -8.312 -13.548 -5.527 196 H ASP 24 HN ASP 24 -5.393 -10.508 -5.759 197 HA ASP 24 HA ASP 24 -6.654 -10.184 -3.246 198 HB2 ASP 24 HB2 ASP 24 -4.116 -10.541 -3.929 199 HB3 ASP 24 HB1 ASP 24 -4.087 -8.785 -3.786 200 H VAL 25 HN VAL 25 -5.418 -7.708 -5.526 201 HA VAL 25 HA VAL 25 -6.179 -5.536 -3.906 202 HB VAL 25 HB VAL 25 -5.905 -5.489 -6.904 203 HG11 VAL 25 HG11 VAL 25 -6.772 -3.432 -6.544 204 HG12 VAL 25 HG12 VAL 25 -5.108 -3.067 -6.089 205 HG13 VAL 25 HG13 VAL 25 -6.307 -3.415 -4.844 206 HG21 VAL 25 HG21 VAL 25 -3.787 -4.691 -4.945 207 HG22 VAL 25 HG22 VAL 25 -3.623 -5.113 -6.649 208 HG23 VAL 25 HG23 VAL 25 -3.953 -6.371 -5.457 209 H VAL 26 HN VAL 26 -8.073 -7.245 -6.379 210 HA VAL 26 HA VAL 26 -10.115 -5.363 -6.650 211 HB VAL 26 HB VAL 26 -11.619 -7.287 -7.224 212 HG11 VAL 26 HG11 VAL 26 -10.150 -8.021 -9.199 213 HG12 VAL 26 HG12 VAL 26 -8.958 -6.895 -8.545 214 HG13 VAL 26 HG13 VAL 26 -10.546 -6.308 -9.042 215 HG21 VAL 26 HG21 VAL 26 -10.409 -9.495 -7.525 216 HG22 VAL 26 HG22 VAL 26 -10.822 -9.042 -5.871 217 HG23 VAL 26 HG23 VAL 26 -9.170 -8.845 -6.453 218 H THR 27 HN THR 27 -9.625 -7.822 -4.179 219 HA THR 27 HA THR 27 -12.126 -7.689 -2.941 220 HB THR 27 HB THR 27 -9.670 -7.979 -1.266 221 HG1 THR 27 HG1 THR 27 -9.361 -10.067 -2.099 222 HG21 THR 27 HG21 THR 27 -11.928 -9.918 -1.440 223 HG22 THR 27 HG22 THR 27 -12.106 -8.419 -0.530 224 HG23 THR 27 HG23 THR 27 -10.845 -9.571 -0.092 225 H THR 28 HN THR 28 -9.169 -5.827 -2.346 226 HA THR 28 HA THR 28 -10.302 -4.182 -0.320 227 HB THR 28 HB THR 28 -7.997 -3.246 -1.974 228 HG1 THR 28 HG1 THR 28 -6.653 -4.702 -0.806 229 HG21 THR 28 HG21 THR 28 -7.124 -3.103 0.517 230 HG22 THR 28 HG22 THR 28 -8.856 -3.057 0.851 231 HG23 THR 28 HG23 THR 28 -8.127 -1.844 -0.203 232 H ASN 29 HN ASN 29 -9.729 -3.763 -3.788 233 HA ASN 29 HA ASN 29 -10.528 -1.105 -4.034 234 HB2 ASN 29 HB2 ASN 29 -10.590 -3.420 -5.960 235 HB3 ASN 29 HB1 ASN 29 -11.121 -1.808 -6.431 236 HD21 ASN 29 1HE2 ASN 29 -9.527 -1.402 -7.880 237 HD22 ASN 29 2HE2 ASN 29 -7.863 -1.222 -7.452 238 H LEU 30 HN LEU 30 -12.442 -4.074 -4.042 239 HA LEU 30 HA LEU 30 -14.896 -2.851 -4.772 240 HB2 LEU 30 HB2 LEU 30 -14.659 -5.220 -5.029 241 HB3 LEU 30 HB1 LEU 30 -14.254 -5.425 -3.337 242 HG LEU 30 HG LEU 30 -16.592 -6.132 -4.094 243 HD11 LEU 30 HD11 LEU 30 -15.686 -5.537 -1.706 244 HD12 LEU 30 HD12 LEU 30 -17.405 -5.817 -1.978 245 HD13 LEU 30 HD13 LEU 30 -16.789 -4.169 -1.863 246 HD21 LEU 30 HD21 LEU 30 -16.911 -3.969 -5.399 247 HD22 LEU 30 HD22 LEU 30 -17.210 -3.205 -3.838 248 HD23 LEU 30 HD23 LEU 30 -18.258 -4.508 -4.397 249 H LYS 31 HN LYS 31 -13.556 -3.840 -1.644 250 HA LYS 31 HA LYS 31 -15.642 -2.348 -0.259 251 HB2 LYS 31 HB2 LYS 31 -14.778 -3.411 1.774 252 HB3 LYS 31 HB1 LYS 31 -15.155 -4.611 0.546 253 HG2 LYS 31 HG2 LYS 31 -12.514 -4.075 0.057 254 HG3 LYS 31 HG1 LYS 31 -12.616 -3.960 1.815 255 HD2 LYS 31 HD2 LYS 31 -13.566 -6.287 0.145 256 HD3 LYS 31 HD1 LYS 31 -12.072 -6.237 1.085 257 HE2 LYS 31 HE2 LYS 31 -13.219 -6.232 3.123 258 HE3 LYS 31 HE1 LYS 31 -14.739 -5.752 2.368 259 HZ1 LYS 31 HZ1 LYS 31 -14.996 -8.004 2.835 260 HZ2 LYS 31 HZ2 LYS 31 -13.430 -8.400 2.337 261 HZ3 LYS 31 HZ3 LYS 31 -14.601 -7.988 1.189 262 H LEU 32 HN LEU 32 -14.639 -0.372 -1.222 263 HA LEU 32 HA LEU 32 -12.085 0.501 -0.332 264 HB2 LEU 32 HB2 LEU 32 -14.224 1.510 -1.990 265 HB3 LEU 32 HB1 LEU 32 -13.623 2.776 -0.941 266 HG LEU 32 HG LEU 32 -12.089 1.224 -3.028 267 HD11 LEU 32 HD11 LEU 32 -11.542 3.800 -3.455 268 HD12 LEU 32 HD12 LEU 32 -13.131 3.973 -2.711 269 HD13 LEU 32 HD13 LEU 32 -12.939 2.987 -4.160 270 HD21 LEU 32 HD21 LEU 32 -11.116 2.660 -0.621 271 HD22 LEU 32 HD22 LEU 32 -10.255 2.935 -2.135 272 HD23 LEU 32 HD23 LEU 32 -10.411 1.300 -1.494 273 H GLY 33 HN GLY 33 -12.954 -0.350 1.951 274 HA2 GLY 33 HA2 GLY 33 -12.890 1.865 3.685 275 HA3 GLY 33 HA1 GLY 33 -14.548 1.291 3.563 276 H ASN 34 HN ASN 34 -13.017 1.262 5.961 277 HA ASN 34 HA ASN 34 -13.373 -1.481 6.697 278 HB2 ASN 34 HB2 ASN 34 -10.623 -0.405 6.247 279 HB3 ASN 34 HB1 ASN 34 -10.884 -1.526 7.581 280 HD21 ASN 34 1HE2 ASN 34 -10.458 -1.175 4.236 281 HD22 ASN 34 2HE2 ASN 34 -10.671 -2.831 3.793 282 HA PRO 35 HA PRO 35 -13.733 0.400 10.676 283 HB2 PRO 35 HB2 PRO 35 -13.454 -1.680 12.319 284 HB3 PRO 35 HB1 PRO 35 -14.790 -1.609 11.163 285 HG2 PRO 35 HG2 PRO 35 -12.237 -3.152 11.016 286 HG3 PRO 35 HG1 PRO 35 -13.870 -3.641 10.536 287 HD2 PRO 35 HD2 PRO 35 -11.900 -2.708 8.810 288 HD3 PRO 35 HD1 PRO 35 -13.638 -2.739 8.459 289 H THR 36 HN THR 36 -12.231 1.805 11.368 290 HA THR 36 HA THR 36 -9.489 1.004 11.812 291 HB THR 36 HB THR 36 -9.113 3.370 12.360 292 HG1 THR 36 HG1 THR 36 -11.080 3.841 13.362 293 HG21 THR 36 HG21 THR 36 -8.883 3.411 10.134 294 HG22 THR 36 HG22 THR 36 -10.421 4.272 10.177 295 HG23 THR 36 HG23 THR 36 -10.389 2.538 9.859 296 H ASP 37 HN ASP 37 -9.848 -0.525 13.504 297 HA ASP 37 HA ASP 37 -9.990 -1.235 15.665 298 HB2 ASP 37 HB2 ASP 37 -8.298 1.012 15.558 299 HB3 ASP 37 HB1 ASP 37 -9.277 1.216 17.007 300 H ARG 38 HN ARG 38 -12.350 0.235 14.485 301 HA ARG 38 HA ARG 38 -14.268 1.362 15.152 302 HB2 ARG 38 HB2 ARG 38 -15.571 -0.116 16.664 303 HB3 ARG 38 HB1 ARG 38 -14.808 -0.970 15.331 304 HG2 ARG 38 HG2 ARG 38 -13.598 -2.248 16.697 305 HG3 ARG 38 HG1 ARG 38 -13.152 -0.885 17.724 306 HD2 ARG 38 HD2 ARG 38 -15.187 -1.040 18.950 307 HD3 ARG 38 HD1 ARG 38 -15.861 -2.196 17.800 308 HE ARG 38 HE ARG 38 -14.062 -2.754 19.973 309 HH11 ARG 38 HH11 ARG 38 -15.243 -3.854 16.879 310 HH12 ARG 38 HH12 ARG 38 -14.837 -5.511 17.172 311 HH21 ARG 38 HH21 ARG 38 -13.525 -4.933 20.361 312 HH22 ARG 38 HH22 ARG 38 -13.861 -6.125 19.149 313 H ASN 39 HN ASN 39 -13.697 3.343 16.043 314 HA ASN 39 HA ASN 39 -14.153 3.560 18.889 315 HB2 ASN 39 HB2 ASN 39 -11.594 3.208 18.355 316 HB3 ASN 39 HB1 ASN 39 -11.666 4.914 17.925 317 HD21 ASN 39 1HE2 ASN 39 -11.296 2.703 20.408 318 HD22 ASN 39 2HE2 ASN 39 -11.457 3.785 21.745 319 H VAL 40 HN VAL 40 -12.648 5.645 16.416 320 HA VAL 40 HA VAL 40 -14.889 7.526 16.786 321 HB VAL 40 HB VAL 40 -12.042 8.294 16.126 322 HG11 VAL 40 HG11 VAL 40 -14.070 9.740 15.430 323 HG12 VAL 40 HG12 VAL 40 -12.714 10.511 16.253 324 HG13 VAL 40 HG13 VAL 40 -14.183 10.120 17.149 325 HG21 VAL 40 HG21 VAL 40 -12.010 9.206 18.457 326 HG22 VAL 40 HG22 VAL 40 -12.028 7.445 18.358 327 HG23 VAL 40 HG23 VAL 40 -13.505 8.321 18.760 328 H CYS 41 HN CYS 41 -12.159 7.141 14.520 329 HA CYS 41 HA CYS 41 -13.954 7.746 12.306 330 HB2 CYS 41 HB2 CYS 41 -11.103 8.016 12.814 331 HB3 CYS 41 HB1 CYS 41 -11.418 7.269 11.252 332 HG CYS 41 HG CYS 41 -12.476 10.092 12.027 333 H PHE 42 HN PHE 42 -12.890 6.394 10.215 334 HA PHE 42 HA PHE 42 -12.598 3.594 10.794 335 HB2 PHE 42 HB2 PHE 42 -15.098 4.514 9.359 336 HB3 PHE 42 HB1 PHE 42 -14.612 2.844 9.626 337 HD1 PHE 42 HD1 PHE 42 -14.736 1.858 11.860 338 HD2 PHE 42 HD2 PHE 42 -16.100 5.816 11.094 339 HE1 PHE 42 HE1 PHE 42 -15.967 1.842 13.990 340 HE2 PHE 42 HE2 PHE 42 -17.333 5.807 13.224 341 HZ PHE 42 HZ PHE 42 -17.267 3.818 14.674 342 H LYS 43 HN LYS 43 -13.252 6.100 8.416 343 HA LYS 43 HA LYS 43 -12.434 4.667 6.135 344 HB2 LYS 43 HB2 LYS 43 -12.353 7.648 6.617 345 HB3 LYS 43 HB1 LYS 43 -12.288 6.856 5.047 346 HG2 LYS 43 HG2 LYS 43 -14.503 6.619 4.952 347 HG3 LYS 43 HG1 LYS 43 -14.604 6.062 6.624 348 HD2 LYS 43 HD2 LYS 43 -14.059 8.945 6.089 349 HD3 LYS 43 HD1 LYS 43 -15.703 8.333 5.891 350 HE2 LYS 43 HE2 LYS 43 -15.836 8.855 8.090 351 HE3 LYS 43 HE1 LYS 43 -15.122 7.252 8.268 352 HZ1 LYS 43 HZ1 LYS 43 -13.086 8.115 8.795 353 HZ2 LYS 43 HZ2 LYS 43 -14.089 9.299 9.470 354 HZ3 LYS 43 HZ3 LYS 43 -13.348 9.572 7.974 355 H VAL 44 HN VAL 44 -10.501 3.615 7.073 356 HA VAL 44 HA VAL 44 -8.243 3.434 7.512 357 HB VAL 44 HB VAL 44 -6.854 4.269 5.648 358 HG11 VAL 44 HG11 VAL 44 -8.540 3.251 3.813 359 HG12 VAL 44 HG12 VAL 44 -9.319 2.691 5.292 360 HG13 VAL 44 HG13 VAL 44 -7.640 2.265 4.963 361 HG21 VAL 44 HG21 VAL 44 -9.389 5.485 4.572 362 HG22 VAL 44 HG22 VAL 44 -7.763 5.598 3.894 363 HG23 VAL 44 HG23 VAL 44 -8.147 6.410 5.415 364 H LYS 45 HN LYS 45 -9.364 5.493 9.078 365 HA LYS 45 HA LYS 45 -7.313 7.597 9.023 366 HB2 LYS 45 HB2 LYS 45 -10.146 7.571 9.631 367 HB3 LYS 45 HB1 LYS 45 -9.225 8.272 10.955 368 HG2 LYS 45 HG2 LYS 45 -8.701 10.115 9.786 369 HG3 LYS 45 HG1 LYS 45 -8.464 9.220 8.284 370 HD2 LYS 45 HD2 LYS 45 -11.168 8.998 8.686 371 HD3 LYS 45 HD1 LYS 45 -10.827 10.622 9.287 372 HE2 LYS 45 HE2 LYS 45 -11.311 10.894 7.002 373 HE3 LYS 45 HE1 LYS 45 -9.555 10.992 7.120 374 HZ1 LYS 45 HZ1 LYS 45 -10.961 9.361 5.452 375 HZ2 LYS 45 HZ2 LYS 45 -10.474 8.316 6.691 376 HZ3 LYS 45 HZ3 LYS 45 -9.319 9.209 5.836 377 H THR 46 HN THR 46 -9.229 6.396 11.753 378 HA THR 46 HA THR 46 -7.196 6.625 13.635 379 HB THR 46 HB THR 46 -9.266 4.486 13.939 380 HG1 THR 46 HG1 THR 46 -9.833 7.252 14.136 381 HG21 THR 46 HG21 THR 46 -8.207 4.698 15.944 382 HG22 THR 46 HG22 THR 46 -9.502 5.879 16.142 383 HG23 THR 46 HG23 THR 46 -7.877 6.416 15.716 384 H THR 47 HN THR 47 -7.570 4.277 11.188 385 HA THR 47 HA THR 47 -6.532 2.336 10.665 386 HB THR 47 HB THR 47 -4.627 4.004 10.765 387 HG1 THR 47 HG1 THR 47 -3.556 2.414 9.959 388 HG21 THR 47 HG21 THR 47 -2.885 3.317 12.526 389 HG22 THR 47 HG22 THR 47 -4.273 2.758 13.458 390 HG23 THR 47 HG23 THR 47 -4.155 4.451 12.982 391 H ALA 48 HN ALA 48 -5.179 0.430 11.636 392 HA ALA 48 HA ALA 48 -5.603 -0.129 14.412 393 HB1 ALA 48 HB1 ALA 48 -7.840 -0.518 13.023 394 HB2 ALA 48 HB2 ALA 48 -7.372 -1.554 14.372 395 HB3 ALA 48 HB3 ALA 48 -7.060 -2.069 12.714 396 HA PRO 49 HA PRO 49 -2.003 -2.506 13.207 397 HB2 PRO 49 HB2 PRO 49 -1.635 -3.736 15.631 398 HB3 PRO 49 HB1 PRO 49 -1.087 -2.098 15.261 399 HG2 PRO 49 HG2 PRO 49 -3.546 -2.992 16.711 400 HG3 PRO 49 HG1 PRO 49 -2.446 -1.654 17.091 401 HD2 PRO 49 HD2 PRO 49 -4.816 -1.241 15.893 402 HD3 PRO 49 HD1 PRO 49 -3.388 -0.262 15.499 403 H ARG 50 HN ARG 50 -2.044 -4.334 12.082 404 HA ARG 50 HA ARG 50 -4.018 -6.387 12.765 405 HB2 ARG 50 HB2 ARG 50 -3.189 -5.278 10.331 406 HB3 ARG 50 HB1 ARG 50 -2.515 -6.903 10.342 407 HG2 ARG 50 HG2 ARG 50 -4.518 -7.869 10.089 408 HG3 ARG 50 HG1 ARG 50 -5.311 -6.751 11.200 409 HD2 ARG 50 HD2 ARG 50 -4.423 -5.677 8.583 410 HD3 ARG 50 HD1 ARG 50 -5.806 -6.770 8.580 411 HE ARG 50 HE ARG 50 -6.436 -5.006 10.523 412 HH11 ARG 50 HH11 ARG 50 -5.404 -4.614 7.212 413 HH12 ARG 50 HH12 ARG 50 -6.264 -3.127 6.989 414 HH21 ARG 50 HH21 ARG 50 -7.569 -3.053 10.231 415 HH22 ARG 50 HH22 ARG 50 -7.493 -2.241 8.702 416 H ARG 51 HN ARG 51 -0.697 -6.423 11.456 417 HA ARG 51 HA ARG 51 0.327 -8.033 13.561 418 HB2 ARG 51 HB2 ARG 51 -0.783 -9.373 11.176 419 HB3 ARG 51 HB1 ARG 51 0.825 -9.901 11.651 420 HG2 ARG 51 HG2 ARG 51 -0.247 -10.080 14.024 421 HG3 ARG 51 HG1 ARG 51 -1.759 -10.141 13.115 422 HD2 ARG 51 HD2 ARG 51 -1.332 -12.200 12.292 423 HD3 ARG 51 HD1 ARG 51 0.395 -11.886 12.123 424 HE ARG 51 HE ARG 51 -0.277 -12.089 14.853 425 HH11 ARG 51 HH11 ARG 51 0.084 -14.061 11.997 426 HH12 ARG 51 HH12 ARG 51 0.495 -15.490 12.883 427 HH21 ARG 51 HH21 ARG 51 0.263 -13.968 16.021 428 HH22 ARG 51 HH22 ARG 51 0.596 -15.438 15.168 429 H TYR 52 HN TYR 52 0.838 -7.781 10.033 430 HA TYR 52 HA TYR 52 3.254 -6.260 10.428 431 HB2 TYR 52 HB2 TYR 52 4.649 -7.932 9.134 432 HB3 TYR 52 HB1 TYR 52 4.244 -8.392 10.784 433 HD1 TYR 52 HD2 TYR 52 3.615 -9.072 7.230 434 HD2 TYR 52 HD1 TYR 52 2.790 -10.266 11.230 435 HE1 TYR 52 HE2 TYR 52 2.681 -11.190 6.399 436 HE2 TYR 52 HE1 TYR 52 1.856 -12.388 10.410 437 HH TYR 52 HH TYR 52 2.405 -13.703 7.668 438 H CYS 53 HN CYS 53 3.058 -4.717 8.977 439 HA CYS 53 HA CYS 53 3.193 -5.040 6.229 440 HB2 CYS 53 HB2 CYS 53 0.727 -5.980 6.811 441 HB3 CYS 53 HB1 CYS 53 0.341 -4.273 6.654 442 HG CYS 53 HG CYS 53 0.022 -5.303 4.283 443 H VAL 54 HN VAL 54 1.600 -3.171 8.749 444 HA VAL 54 HA VAL 54 2.908 -0.760 7.739 445 HB VAL 54 HB VAL 54 0.788 0.541 8.212 446 HG11 VAL 54 HG11 VAL 54 1.115 0.511 5.975 447 HG12 VAL 54 HG12 VAL 54 -0.308 -0.531 6.008 448 HG13 VAL 54 HG13 VAL 54 1.303 -1.241 5.916 449 HG21 VAL 54 HG21 VAL 54 -1.175 -0.459 8.700 450 HG22 VAL 54 HG22 VAL 54 -0.136 -1.756 9.289 451 HG23 VAL 54 HG23 VAL 54 -0.839 -1.855 7.675 452 H ARG 55 HN ARG 55 3.339 0.790 9.344 453 HA ARG 55 HA ARG 55 3.567 -0.285 11.988 454 HB2 ARG 55 HB2 ARG 55 4.358 2.277 10.672 455 HB3 ARG 55 HB1 ARG 55 4.382 2.166 12.425 456 HG2 ARG 55 HG2 ARG 55 5.940 0.486 10.473 457 HG3 ARG 55 HG1 ARG 55 6.573 1.700 11.586 458 HD2 ARG 55 HD2 ARG 55 7.004 -0.136 12.841 459 HD3 ARG 55 HD1 ARG 55 5.335 0.125 13.349 460 HE ARG 55 HE ARG 55 5.462 -1.549 11.058 461 HH11 ARG 55 HH11 ARG 55 5.940 -1.547 14.516 462 HH12 ARG 55 HH12 ARG 55 5.597 -3.236 14.690 463 HH21 ARG 55 HH21 ARG 55 5.011 -3.771 11.285 464 HH22 ARG 55 HH22 ARG 55 5.072 -4.499 12.856 465 H SER 56 HN SER 56 1.011 -0.452 11.738 466 HA SER 56 HA SER 56 -0.348 1.939 12.679 467 HB2 SER 56 HB2 SER 56 -1.395 0.440 10.988 468 HB3 SER 56 HB1 SER 56 -1.465 -0.832 12.206 469 HG SER 56 HG SER 56 -2.658 0.843 13.479 470 H ASN 57 HN ASN 57 1.636 0.105 14.202 471 HA ASN 57 HA ASN 57 0.050 -0.796 16.452 472 HB2 ASN 57 HB2 ASN 57 2.244 -1.831 15.368 473 HB3 ASN 57 HB1 ASN 57 3.020 -0.799 16.567 474 HD21 ASN 57 1HE2 ASN 57 2.569 -3.792 16.214 475 HD22 ASN 57 2HE2 ASN 57 2.003 -4.303 17.764 476 H SER 58 HN SER 58 1.900 2.021 15.667 477 HA SER 58 HA SER 58 2.684 2.818 18.245 478 HB2 SER 58 HB2 SER 58 2.019 4.898 16.220 479 HB3 SER 58 HB1 SER 58 3.431 4.753 17.267 480 HG SER 58 HG SER 58 3.081 3.881 14.732 481 H GLY 59 HN GLY 59 -0.454 2.764 16.915 482 HA2 GLY 59 HA2 GLY 59 -2.468 3.352 17.879 483 HA3 GLY 59 HA1 GLY 59 -1.575 3.839 19.302 484 H ILE 60 HN ILE 60 -3.273 4.977 16.521 485 HA ILE 60 HA ILE 60 -3.979 7.049 15.931 486 HB ILE 60 HB ILE 60 -2.524 8.039 18.389 487 HG12 ILE 60 HG12 ILE 60 -4.196 6.473 19.087 488 HG13 ILE 60 HG11 ILE 60 -4.859 8.083 19.354 489 HG21 ILE 60 HG21 ILE 60 -4.407 9.850 18.063 490 HG22 ILE 60 HG22 ILE 60 -4.292 9.337 16.380 491 HG23 ILE 60 HG23 ILE 60 -2.869 9.968 17.208 492 HD11 ILE 60 HD11 ILE 60 -6.530 6.592 18.425 493 HD12 ILE 60 HD12 ILE 60 -5.495 6.270 17.034 494 HD13 ILE 60 HD13 ILE 60 -6.153 7.887 17.289 495 H ILE 61 HN ILE 61 -0.723 7.514 17.312 496 HA ILE 61 HA ILE 61 0.128 9.225 15.192 497 HB ILE 61 HB ILE 61 1.697 7.594 17.204 498 HG12 ILE 61 HG12 ILE 61 0.448 9.453 18.163 499 HG13 ILE 61 HG11 ILE 61 2.172 9.809 18.196 500 HG21 ILE 61 HG21 ILE 61 2.671 9.417 15.027 501 HG22 ILE 61 HG22 ILE 61 3.188 7.775 15.406 502 HG23 ILE 61 HG23 ILE 61 3.622 9.105 16.479 503 HD11 ILE 61 HD11 ILE 61 1.164 11.797 17.523 504 HD12 ILE 61 HD12 ILE 61 0.054 10.971 16.430 505 HD13 ILE 61 HD13 ILE 61 1.767 11.084 16.026 506 H ASP 62 HN ASP 62 -0.303 5.912 15.643 507 HA ASP 62 HA ASP 62 1.443 4.916 13.611 508 HB2 ASP 62 HB2 ASP 62 0.351 2.809 14.033 509 HB3 ASP 62 HB1 ASP 62 0.628 3.609 15.565 510 H ALA 63 HN ALA 63 -1.568 6.497 13.622 511 HA ALA 63 HA ALA 63 -2.881 5.258 11.470 512 HB1 ALA 63 HB1 ALA 63 -4.057 6.764 12.926 513 HB2 ALA 63 HB2 ALA 63 -4.143 7.381 11.277 514 HB3 ALA 63 HB3 ALA 63 -3.027 8.109 12.433 515 H GLY 64 HN GLY 64 -0.180 7.425 11.498 516 HA2 GLY 64 HA2 GLY 64 -0.477 8.113 8.669 517 HA3 GLY 64 HA1 GLY 64 0.824 8.632 9.740 518 H ALA 65 HN ALA 65 1.096 5.714 10.585 519 HA ALA 65 HA ALA 65 3.264 4.993 9.049 520 HB1 ALA 65 HB1 ALA 65 1.306 3.334 10.601 521 HB2 ALA 65 HB2 ALA 65 2.948 3.805 11.039 522 HB3 ALA 65 HB3 ALA 65 2.681 2.609 9.770 523 H SER 66 HN SER 66 -0.117 4.656 8.322 524 HA SER 66 HA SER 66 0.503 3.122 5.892 525 HB2 SER 66 HB2 SER 66 -2.331 3.479 6.539 526 HB3 SER 66 HB1 SER 66 -1.432 2.006 6.177 527 HG SER 66 HG SER 66 -1.112 1.679 8.247 528 H ILE 67 HN ILE 67 1.314 5.487 5.375 529 HA ILE 67 HA ILE 67 -0.493 7.519 4.778 530 HB ILE 67 HB ILE 67 1.253 8.599 3.571 531 HG12 ILE 67 HG12 ILE 67 1.895 6.425 2.307 532 HG13 ILE 67 HG11 ILE 67 3.154 7.597 2.655 533 HG21 ILE 67 HG21 ILE 67 1.474 8.443 6.018 534 HG22 ILE 67 HG22 ILE 67 3.028 8.594 5.196 535 HG23 ILE 67 HG23 ILE 67 2.505 7.028 5.810 536 HD11 ILE 67 HD11 ILE 67 3.079 5.810 4.835 537 HD12 ILE 67 HD12 ILE 67 4.332 5.997 3.611 538 HD13 ILE 67 HD13 ILE 67 3.021 4.846 3.360 539 H ASN 68 HN ASN 68 0.408 4.714 2.763 540 HA ASN 68 HA ASN 68 -0.743 5.990 0.413 541 HB2 ASN 68 HB2 ASN 68 0.968 3.761 0.779 542 HB3 ASN 68 HB1 ASN 68 -0.491 3.156 -0.001 543 HD21 ASN 68 1HE2 ASN 68 -0.415 3.196 -2.203 544 HD22 ASN 68 2HE2 ASN 68 0.495 4.325 -3.146 545 H VAL 69 HN VAL 69 -1.786 3.652 2.813 546 HA VAL 69 HA VAL 69 -4.253 3.116 1.385 547 HB VAL 69 HB VAL 69 -3.151 1.329 2.694 548 HG11 VAL 69 HG11 VAL 69 -2.858 1.376 4.966 549 HG12 VAL 69 HG12 VAL 69 -4.143 2.559 5.219 550 HG13 VAL 69 HG13 VAL 69 -2.586 3.073 4.567 551 HG21 VAL 69 HG21 VAL 69 -5.791 1.777 2.373 552 HG22 VAL 69 HG22 VAL 69 -5.702 1.662 4.130 553 HG23 VAL 69 HG23 VAL 69 -5.127 0.329 3.130 554 H SER 70 HN SER 70 -3.174 5.062 4.103 555 HA SER 70 HA SER 70 -5.872 5.780 4.858 556 HB2 SER 70 HB2 SER 70 -3.233 6.887 5.844 557 HB3 SER 70 HB1 SER 70 -4.813 7.143 6.585 558 HG SER 70 HG SER 70 -4.369 5.401 7.664 559 H VAL 71 HN VAL 71 -3.079 7.328 3.338 560 HA VAL 71 HA VAL 71 -2.821 9.351 2.303 561 HB VAL 71 HB VAL 71 -4.419 9.793 0.503 562 HG11 VAL 71 HG11 VAL 71 -2.999 8.266 -0.355 563 HG12 VAL 71 HG12 VAL 71 -4.427 7.233 -0.323 564 HG13 VAL 71 HG13 VAL 71 -3.240 7.135 0.976 565 HG21 VAL 71 HG21 VAL 71 -6.426 8.534 0.203 566 HG22 VAL 71 HG22 VAL 71 -6.455 9.206 1.834 567 HG23 VAL 71 HG23 VAL 71 -6.054 7.506 1.587 568 H MET 72 HN MET 72 -4.047 9.507 4.933 569 HA MET 72 HA MET 72 -6.131 11.470 4.840 570 HB2 MET 72 HB2 MET 72 -5.360 9.734 6.733 571 HB3 MET 72 HB1 MET 72 -4.490 11.156 7.294 572 HG2 MET 72 HG2 MET 72 -7.318 11.574 6.597 573 HG3 MET 72 HG1 MET 72 -7.008 10.557 8.002 574 HE1 MET 72 HE1 MET 72 -8.247 12.841 9.762 575 HE2 MET 72 HE2 MET 72 -8.674 12.868 8.050 576 HE3 MET 72 HE3 MET 72 -8.081 14.333 8.835 577 H LEU 73 HN LEU 73 -2.864 11.689 6.256 578 HA LEU 73 HA LEU 73 -2.134 14.023 4.849 579 HB2 LEU 73 HB2 LEU 73 -3.759 14.398 7.219 580 HB3 LEU 73 HB1 LEU 73 -2.193 15.167 7.396 581 HG LEU 73 HG LEU 73 -4.187 15.673 5.186 582 HD11 LEU 73 HD11 LEU 73 -4.844 17.532 6.284 583 HD12 LEU 73 HD12 LEU 73 -3.250 17.817 6.981 584 HD13 LEU 73 HD13 LEU 73 -4.321 16.613 7.696 585 HD21 LEU 73 HD21 LEU 73 -2.408 17.646 4.927 586 HD22 LEU 73 HD22 LEU 73 -2.279 16.123 4.048 587 HD23 LEU 73 HD23 LEU 73 -1.332 16.378 5.514 588 H GLN 74 HN GLN 74 -1.740 13.022 8.250 589 HA GLN 74 HA GLN 74 0.936 13.530 8.533 590 HB2 GLN 74 HB2 GLN 74 0.907 11.651 10.245 591 HB3 GLN 74 HB1 GLN 74 -0.280 12.930 10.464 592 HG2 GLN 74 HG2 GLN 74 -1.589 11.072 8.889 593 HG3 GLN 74 HG1 GLN 74 -0.661 10.094 10.025 594 HE21 GLN 74 1HE2 GLN 74 -1.754 9.575 11.764 595 HE22 GLN 74 2HE2 GLN 74 -2.962 10.534 12.542 596 HA PRO 75 HA PRO 75 2.455 10.359 5.677 597 HB2 PRO 75 HB2 PRO 75 4.623 11.652 4.842 598 HB3 PRO 75 HB1 PRO 75 3.012 12.170 4.329 599 HG2 PRO 75 HG2 PRO 75 4.805 13.339 6.414 600 HG3 PRO 75 HG1 PRO 75 3.769 14.164 5.236 601 HD2 PRO 75 HD2 PRO 75 3.121 13.682 7.903 602 HD3 PRO 75 HD1 PRO 75 1.964 14.076 6.619 603 H PHE 76 HN PHE 76 2.893 8.923 7.521 604 HA PHE 76 HA PHE 76 4.297 7.617 8.746 605 HB2 PHE 76 HB2 PHE 76 5.863 8.496 6.620 606 HB3 PHE 76 HB1 PHE 76 6.844 8.836 8.042 607 HD1 PHE 76 HD1 PHE 76 4.876 6.129 6.424 608 HD2 PHE 76 HD2 PHE 76 8.091 7.149 9.020 609 HE1 PHE 76 HE1 PHE 76 5.544 3.762 6.522 610 HE2 PHE 76 HE2 PHE 76 8.765 4.785 9.121 611 HZ PHE 76 HZ PHE 76 7.490 3.088 7.871 612 H ASP 77 HN ASP 77 5.993 10.756 8.623 613 HA ASP 77 HA ASP 77 6.366 12.323 10.246 614 HB2 ASP 77 HB2 ASP 77 5.019 10.574 12.294 615 HB3 ASP 77 HB1 ASP 77 5.213 12.323 12.305 616 H TYR 78 HN TYR 78 8.321 10.579 9.555 617 HA TYR 78 HA TYR 78 10.201 9.440 10.242 618 HB2 TYR 78 HB2 TYR 78 11.408 10.812 12.080 619 HB3 TYR 78 HB1 TYR 78 11.085 11.573 10.527 620 HD1 TYR 78 HD1 TYR 78 9.223 13.214 10.326 621 HD2 TYR 78 HD2 TYR 78 10.435 11.638 14.087 622 HE1 TYR 78 HE1 TYR 78 8.051 15.051 11.466 623 HE2 TYR 78 HE2 TYR 78 9.266 13.470 15.238 624 HH TYR 78 HH TYR 78 8.033 16.208 13.556 625 H ASP 79 HN ASP 79 9.021 7.553 11.042 626 HA ASP 79 HA ASP 79 8.157 7.226 13.670 627 HB2 ASP 79 HB2 ASP 79 7.892 5.694 11.578 628 HB3 ASP 79 HB1 ASP 79 9.378 4.951 12.160 629 HA PRO 80 HA PRO 80 11.896 7.102 16.049 630 HB2 PRO 80 HB2 PRO 80 10.433 5.443 17.987 631 HB3 PRO 80 HB1 PRO 80 11.102 7.064 18.185 632 HG2 PRO 80 HG2 PRO 80 8.450 6.621 18.059 633 HG3 PRO 80 HG1 PRO 80 9.194 8.092 17.405 634 HD2 PRO 80 HD2 PRO 80 8.256 5.639 15.964 635 HD3 PRO 80 HD1 PRO 80 8.083 7.349 15.512 636 H ASN 81 HN ASN 81 12.319 5.515 14.113 637 HA ASN 81 HA ASN 81 13.796 3.361 15.052 638 HB2 ASN 81 HB2 ASN 81 11.596 2.346 15.528 639 HB3 ASN 81 HB1 ASN 81 11.165 2.504 13.829 640 HD21 ASN 81 1HE2 ASN 81 11.435 0.138 15.561 641 HD22 ASN 81 2HE2 ASN 81 12.562 -0.896 14.758 642 H GLU 82 HN GLU 82 15.362 3.515 13.496 643 HA GLU 82 HA GLU 82 14.844 4.509 10.900 644 HB2 GLU 82 HB2 GLU 82 17.284 3.920 10.512 645 HB3 GLU 82 HB1 GLU 82 16.949 5.071 11.797 646 HG2 GLU 82 HG2 GLU 82 18.048 3.802 13.228 647 HG3 GLU 82 HG1 GLU 82 16.922 2.479 12.935 648 H LYS 83 HN LYS 83 15.597 1.274 12.148 649 HA LYS 83 HA LYS 83 15.789 0.031 9.627 650 HB2 LYS 83 HB2 LYS 83 16.439 -0.990 11.849 651 HB3 LYS 83 HB1 LYS 83 14.726 -1.230 12.165 652 HG2 LYS 83 HG2 LYS 83 15.137 -3.260 11.293 653 HG3 LYS 83 HG1 LYS 83 14.915 -2.412 9.761 654 HD2 LYS 83 HD2 LYS 83 16.928 -3.281 9.258 655 HD3 LYS 83 HD1 LYS 83 17.545 -1.946 10.234 656 HE2 LYS 83 HE2 LYS 83 18.600 -3.575 11.369 657 HE3 LYS 83 HE1 LYS 83 17.035 -3.787 12.153 658 HZ1 LYS 83 HZ1 LYS 83 16.538 -5.437 10.342 659 HZ2 LYS 83 HZ2 LYS 83 17.721 -5.909 11.454 660 HZ3 LYS 83 HZ3 LYS 83 18.175 -5.362 9.919 661 H SER 84 HN SER 84 13.111 0.478 11.883 662 HA SER 84 HA SER 84 11.153 -0.605 10.066 663 HB2 SER 84 HB2 SER 84 10.759 1.022 12.588 664 HB3 SER 84 HB1 SER 84 9.504 0.123 11.735 665 HG SER 84 HG SER 84 10.285 -1.714 12.482 666 H LYS 85 HN LYS 85 12.632 2.460 10.405 667 HA LYS 85 HA LYS 85 10.705 4.297 9.809 668 HB2 LYS 85 HB2 LYS 85 12.985 4.929 10.278 669 HB3 LYS 85 HB1 LYS 85 13.536 4.220 8.769 670 HG2 LYS 85 HG2 LYS 85 13.083 6.076 7.639 671 HG3 LYS 85 HG1 LYS 85 11.453 6.167 8.311 672 HD2 LYS 85 HD2 LYS 85 12.312 8.086 9.192 673 HD3 LYS 85 HD1 LYS 85 12.799 6.959 10.460 674 HE2 LYS 85 HE2 LYS 85 14.617 7.452 8.144 675 HE3 LYS 85 HE1 LYS 85 14.527 8.638 9.445 676 HZ1 LYS 85 HZ1 LYS 85 14.851 6.505 10.906 677 HZ2 LYS 85 HZ2 LYS 85 16.177 7.300 10.220 678 HZ3 LYS 85 HZ3 LYS 85 15.562 5.900 9.495 679 H HIS 86 HN HIS 86 12.744 4.139 7.039 680 HA HIS 86 HA HIS 86 12.384 3.743 4.802 681 HB2 HIS 86 HB2 HIS 86 9.767 2.483 5.641 682 HB3 HIS 86 HB1 HIS 86 10.494 2.387 4.042 683 HD1 HIS 86 HD1 HIS 86 10.319 -0.261 4.555 684 HD2 HIS 86 HD2 HIS 86 13.111 1.881 6.764 685 HE1 HIS 86 HE1 HIS 86 11.891 -1.980 5.498 686 HE2 HIS 86 HE2 HIS 86 13.636 -0.652 6.736 687 H LYS 87 HN LYS 87 10.875 4.402 2.944 688 HA LYS 87 HA LYS 87 8.886 6.435 3.578 689 HB2 LYS 87 HB2 LYS 87 11.505 7.257 3.196 690 HB3 LYS 87 HB1 LYS 87 10.765 7.501 1.620 691 HG2 LYS 87 HG2 LYS 87 9.128 8.461 3.835 692 HG3 LYS 87 HG1 LYS 87 10.692 9.268 3.697 693 HD2 LYS 87 HD2 LYS 87 10.062 9.408 1.162 694 HD3 LYS 87 HD1 LYS 87 8.417 9.184 1.760 695 HE2 LYS 87 HE2 LYS 87 8.384 11.205 2.836 696 HE3 LYS 87 HE1 LYS 87 10.131 11.227 3.076 697 HZ1 LYS 87 HZ1 LYS 87 10.315 12.507 1.298 698 HZ2 LYS 87 HZ2 LYS 87 8.642 12.466 1.053 699 HZ3 LYS 87 HZ3 LYS 87 9.631 11.303 0.325 700 H PHE 88 HN PHE 88 7.792 7.300 1.545 701 HA PHE 88 HA PHE 88 7.137 5.102 -0.153 702 HB2 PHE 88 HB2 PHE 88 5.484 6.744 0.629 703 HB3 PHE 88 HB1 PHE 88 6.255 7.977 -0.364 704 HD1 PHE 88 HD1 PHE 88 5.097 4.462 -0.885 705 HD2 PHE 88 HD2 PHE 88 5.077 8.493 -2.251 706 HE1 PHE 88 HE1 PHE 88 3.687 3.805 -2.791 707 HE2 PHE 88 HE2 PHE 88 3.665 7.843 -4.159 708 HZ PHE 88 HZ PHE 88 2.968 5.497 -4.431 709 H MET 89 HN MET 89 8.606 8.321 -1.043 710 HA MET 89 HA MET 89 8.986 7.398 -3.757 711 HB2 MET 89 HB2 MET 89 9.430 9.948 -2.323 712 HB3 MET 89 HB1 MET 89 10.679 9.602 -3.502 713 HG2 MET 89 HG2 MET 89 8.801 9.327 -5.223 714 HG3 MET 89 HG1 MET 89 7.715 9.994 -4.007 715 HE1 MET 89 HE1 MET 89 8.274 12.121 -7.096 716 HE2 MET 89 HE2 MET 89 7.764 13.338 -5.931 717 HE3 MET 89 HE3 MET 89 6.993 11.754 -5.934 718 H VAL 90 HN VAL 90 10.653 7.307 -0.783 719 HA VAL 90 HA VAL 90 13.304 6.655 -1.671 720 HB VAL 90 HB VAL 90 12.130 6.277 1.073 721 HG11 VAL 90 HG11 VAL 90 14.715 6.847 1.472 722 HG12 VAL 90 HG12 VAL 90 14.834 6.050 -0.096 723 HG13 VAL 90 HG13 VAL 90 14.113 5.201 1.271 724 HG21 VAL 90 HG21 VAL 90 11.968 8.620 0.053 725 HG22 VAL 90 HG22 VAL 90 13.727 8.652 0.166 726 HG23 VAL 90 HG23 VAL 90 12.753 8.468 1.625 727 H GLN 91 HN GLN 91 10.499 4.770 -1.453 728 HA GLN 91 HA GLN 91 11.377 2.379 -0.395 729 HB2 GLN 91 HB2 GLN 91 9.410 2.942 -2.604 730 HB3 GLN 91 HB1 GLN 91 9.672 1.325 -1.971 731 HG2 GLN 91 HG2 GLN 91 9.175 2.422 0.325 732 HG3 GLN 91 HG1 GLN 91 8.452 3.702 -0.648 733 HE21 GLN 91 1HE2 GLN 91 7.194 1.854 1.215 734 HE22 GLN 91 2HE2 GLN 91 5.988 1.008 0.312 735 H SER 92 HN SER 92 12.459 3.803 -3.320 736 HA SER 92 HA SER 92 13.043 1.529 -4.848 737 HB2 SER 92 HB2 SER 92 14.881 3.074 -5.816 738 HB3 SER 92 HB1 SER 92 13.197 3.560 -5.994 739 HG SER 92 HG SER 92 14.726 5.205 -5.208 740 H MET 93 HN MET 93 14.521 2.570 -1.910 741 HA MET 93 HA MET 93 17.107 1.471 -2.392 742 HB2 MET 93 HB2 MET 93 16.413 3.298 -0.682 743 HB3 MET 93 HB1 MET 93 15.928 1.947 0.333 744 HG2 MET 93 HG2 MET 93 18.047 1.355 0.797 745 HG3 MET 93 HG1 MET 93 18.630 1.768 -0.814 746 HE1 MET 93 HE1 MET 93 19.505 2.349 2.493 747 HE2 MET 93 HE2 MET 93 20.436 3.832 2.283 748 HE3 MET 93 HE3 MET 93 20.704 2.462 1.205 749 H PHE 94 HN PHE 94 14.220 0.522 -0.594 750 HA PHE 94 HA PHE 94 15.325 -2.049 0.100 751 HB2 PHE 94 HB2 PHE 94 13.504 -2.319 1.436 752 HB3 PHE 94 HB1 PHE 94 13.391 -0.579 1.226 753 HD1 PHE 94 HD1 PHE 94 12.084 -3.810 -0.030 754 HD2 PHE 94 HD2 PHE 94 11.487 0.391 0.280 755 HE1 PHE 94 HE1 PHE 94 9.800 -4.075 -0.896 756 HE2 PHE 94 HE2 PHE 94 9.199 0.129 -0.582 757 HZ PHE 94 HZ PHE 94 8.353 -2.104 -1.173 758 H ALA 95 HN ALA 95 14.266 -0.859 -2.770 759 HA ALA 95 HA ALA 95 14.303 -3.317 -4.104 760 HB1 ALA 95 HB1 ALA 95 12.206 -3.928 -3.338 761 HB2 ALA 95 HB2 ALA 95 11.824 -3.146 -4.872 762 HB3 ALA 95 HB3 ALA 95 11.602 -2.272 -3.355 763 HA PRO 96 HA PRO 96 15.275 0.604 -6.477 764 HB2 PRO 96 HB2 PRO 96 16.747 -1.050 -8.254 765 HB3 PRO 96 HB1 PRO 96 17.390 0.036 -7.022 766 HG2 PRO 96 HG2 PRO 96 16.946 -2.895 -6.916 767 HG3 PRO 96 HG1 PRO 96 18.166 -1.909 -6.090 768 HD2 PRO 96 HD2 PRO 96 16.073 -2.937 -4.771 769 HD3 PRO 96 HD1 PRO 96 16.712 -1.326 -4.376 770 H THR 97 HN THR 97 14.493 -2.620 -7.754 771 HA THR 97 HA THR 97 13.529 -1.777 -10.241 772 HB THR 97 HB THR 97 14.029 -4.090 -9.938 773 HG1 THR 97 HG1 THR 97 11.208 -3.905 -10.089 774 HG21 THR 97 HG21 THR 97 12.823 -5.582 -8.483 775 HG22 THR 97 HG22 THR 97 11.839 -4.249 -7.881 776 HG23 THR 97 HG23 THR 97 13.567 -4.295 -7.537 777 H ASP 98 HN ASP 98 12.130 -1.597 -7.097 778 HA ASP 98 HA ASP 98 9.414 -1.614 -7.691 779 HB2 ASP 98 HB2 ASP 98 10.635 -1.502 -5.400 780 HB3 ASP 98 HB1 ASP 98 10.550 0.242 -5.624 781 H THR 99 HN THR 99 11.722 1.089 -7.770 782 HA THR 99 HA THR 99 9.859 3.111 -8.344 783 HB THR 99 HB THR 99 12.176 3.827 -9.723 784 HG1 THR 99 HG1 THR 99 13.815 2.868 -8.826 785 HG21 THR 99 HG21 THR 99 12.763 5.118 -7.721 786 HG22 THR 99 HG22 THR 99 11.518 4.253 -6.820 787 HG23 THR 99 HG23 THR 99 11.067 5.294 -8.171 788 H SER 100 HN SER 100 11.749 0.999 -10.435 789 HA SER 100 HA SER 100 10.713 2.007 -12.888 790 HB2 SER 100 HB2 SER 100 12.796 0.919 -13.064 791 HB3 SER 100 HB1 SER 100 12.248 -0.470 -12.125 792 HG SER 100 HG SER 100 11.123 0.205 -14.631 793 H ASP 101 HN ASP 101 9.586 -0.223 -10.531 794 HA ASP 101 HA ASP 101 8.002 -1.941 -12.013 795 HB2 ASP 101 HB2 ASP 101 8.536 -2.015 -9.525 796 HB3 ASP 101 HB1 ASP 101 7.214 -0.872 -9.309 797 H MET 102 HN MET 102 7.247 1.343 -10.880 798 HA MET 102 HA MET 102 4.505 1.317 -11.416 799 HB2 MET 102 HB2 MET 102 6.595 3.417 -11.192 800 HB3 MET 102 HB1 MET 102 5.106 3.878 -12.004 801 HG2 MET 102 HG2 MET 102 4.289 2.545 -9.698 802 HG3 MET 102 HG1 MET 102 5.648 3.548 -9.195 803 HE1 MET 102 HE1 MET 102 3.930 6.710 -8.424 804 HE2 MET 102 HE2 MET 102 5.527 6.207 -8.976 805 HE3 MET 102 HE3 MET 102 4.683 5.267 -7.747 806 H GLU 103 HN GLU 103 7.144 2.464 -13.517 807 HA GLU 103 HA GLU 103 5.466 2.747 -15.805 808 HB2 GLU 103 HB2 GLU 103 7.587 3.067 -17.036 809 HB3 GLU 103 HB1 GLU 103 7.476 4.082 -15.604 810 HG2 GLU 103 HG2 GLU 103 8.971 2.664 -14.398 811 HG3 GLU 103 HG1 GLU 103 8.954 1.464 -15.689 812 H ALA 104 HN ALA 104 7.596 0.246 -14.586 813 HA ALA 104 HA ALA 104 7.742 -1.370 -16.858 814 HB1 ALA 104 HB1 ALA 104 9.315 -1.898 -15.285 815 HB2 ALA 104 HB2 ALA 104 8.152 -3.203 -15.051 816 HB3 ALA 104 HB3 ALA 104 8.166 -1.825 -13.950 817 H VAL 105 HN VAL 105 5.125 -0.999 -14.587 818 HA VAL 105 HA VAL 105 3.921 -3.502 -14.821 819 HB VAL 105 HB VAL 105 2.527 -0.834 -14.520 820 HG11 VAL 105 HG11 VAL 105 0.586 -1.914 -14.450 821 HG12 VAL 105 HG12 VAL 105 1.210 -3.055 -13.258 822 HG13 VAL 105 HG13 VAL 105 1.424 -3.373 -14.979 823 HG21 VAL 105 HG21 VAL 105 2.534 -2.172 -12.087 824 HG22 VAL 105 HG22 VAL 105 3.522 -0.781 -12.530 825 HG23 VAL 105 HG23 VAL 105 4.161 -2.412 -12.726 826 H TRP 106 HN TRP 106 3.235 -0.576 -16.765 827 HA TRP 106 HA TRP 106 1.641 -2.130 -18.611 828 HB2 TRP 106 HB2 TRP 106 2.411 0.785 -18.500 829 HB3 TRP 106 HB1 TRP 106 1.482 0.097 -19.829 830 HD1 TRP 106 HD1 TRP 106 -0.693 -1.562 -18.532 831 HE1 TRP 106 HE1 TRP 106 -2.451 -0.554 -16.946 832 HE3 TRP 106 HE3 TRP 106 1.827 2.649 -17.098 833 HZ2 TRP 106 HZ2 TRP 106 -2.733 1.726 -15.304 834 HZ3 TRP 106 HZ3 TRP 106 0.742 4.191 -15.516 835 HH2 TRP 106 HH2 TRP 106 -1.492 3.738 -14.640 836 H LYS 107 HN LYS 107 4.667 -0.273 -18.783 837 HA LYS 107 HA LYS 107 5.209 -0.874 -21.484 838 HB2 LYS 107 HB2 LYS 107 6.237 0.863 -19.686 839 HB3 LYS 107 HB1 LYS 107 7.513 -0.346 -19.718 840 HG2 LYS 107 HG2 LYS 107 7.355 -0.099 -22.287 841 HG3 LYS 107 HG1 LYS 107 6.526 1.416 -21.920 842 HD2 LYS 107 HD2 LYS 107 9.022 0.949 -20.430 843 HD3 LYS 107 HD1 LYS 107 9.212 1.167 -22.171 844 HE2 LYS 107 HE2 LYS 107 9.217 3.356 -21.681 845 HE3 LYS 107 HE1 LYS 107 7.468 3.164 -21.566 846 HZ1 LYS 107 HZ1 LYS 107 9.450 3.452 -19.432 847 HZ2 LYS 107 HZ2 LYS 107 8.084 2.506 -19.118 848 HZ3 LYS 107 HZ3 LYS 107 7.904 4.126 -19.567 849 H GLU 108 HN GLU 108 6.129 -2.517 -18.492 850 HA GLU 108 HA GLU 108 7.739 -4.402 -20.041 851 HB2 GLU 108 HB2 GLU 108 7.865 -3.376 -17.375 852 HB3 GLU 108 HB1 GLU 108 7.735 -5.128 -17.305 853 HG2 GLU 108 HG2 GLU 108 10.042 -4.558 -17.338 854 HG3 GLU 108 HG1 GLU 108 9.639 -5.259 -18.904 855 H ALA 109 HN ALA 109 4.599 -4.155 -18.786 856 HA ALA 109 HA ALA 109 2.836 -5.590 -18.806 857 HB1 ALA 109 HB1 ALA 109 4.693 -7.522 -20.185 858 HB2 ALA 109 HB2 ALA 109 3.737 -6.281 -20.992 859 HB3 ALA 109 HB3 ALA 109 2.932 -7.599 -20.139 860 H LYS 110 HN LYS 110 2.182 -7.905 -18.108 861 HA LYS 110 HA LYS 110 2.746 -8.196 -15.444 862 HB2 LYS 110 HB2 LYS 110 1.499 -10.225 -15.487 863 HB3 LYS 110 HB1 LYS 110 0.763 -9.082 -16.599 864 HG2 LYS 110 HG2 LYS 110 2.680 -11.187 -17.537 865 HG3 LYS 110 HG1 LYS 110 0.958 -11.509 -17.337 866 HD2 LYS 110 HD2 LYS 110 2.187 -9.398 -19.109 867 HD3 LYS 110 HD1 LYS 110 1.450 -10.910 -19.644 868 HE2 LYS 110 HE2 LYS 110 -0.482 -9.691 -18.047 869 HE3 LYS 110 HE1 LYS 110 0.212 -8.380 -19.001 870 HZ1 LYS 110 HZ1 LYS 110 -1.380 -10.655 -19.856 871 HZ2 LYS 110 HZ2 LYS 110 -0.100 -10.229 -20.878 872 HZ3 LYS 110 HZ3 LYS 110 -1.292 -9.091 -20.497 873 HA PRO 111 HA PRO 111 5.786 -11.860 -16.388 874 HB2 PRO 111 HB2 PRO 111 7.476 -11.463 -18.487 875 HB3 PRO 111 HB1 PRO 111 5.981 -12.398 -18.597 876 HG2 PRO 111 HG2 PRO 111 6.504 -9.562 -19.386 877 HG3 PRO 111 HG1 PRO 111 5.590 -10.814 -20.246 878 HD2 PRO 111 HD2 PRO 111 4.384 -8.894 -18.821 879 HD3 PRO 111 HD1 PRO 111 3.722 -10.529 -18.931 880 H GLU 112 HN GLU 112 6.983 -8.720 -17.590 881 HA GLU 112 HA GLU 112 9.432 -8.948 -16.141 882 HB2 GLU 112 HB2 GLU 112 8.177 -6.960 -17.925 883 HB3 GLU 112 HB1 GLU 112 9.334 -6.326 -16.762 884 HG2 GLU 112 HG2 GLU 112 10.142 -8.714 -18.309 885 HG3 GLU 112 HG1 GLU 112 10.038 -7.182 -19.175 886 H ASP 113 HN ASP 113 6.330 -7.395 -15.503 887 HA ASP 113 HA ASP 113 7.362 -5.913 -13.265 888 HB2 ASP 113 HB2 ASP 113 5.040 -5.235 -12.871 889 HB3 ASP 113 HB1 ASP 113 5.512 -5.003 -14.549 890 H LEU 114 HN LEU 114 5.689 -8.996 -13.635 891 HA LEU 114 HA LEU 114 4.854 -9.354 -11.006 892 HB2 LEU 114 HB2 LEU 114 5.019 -11.797 -11.460 893 HB3 LEU 114 HB1 LEU 114 4.110 -10.892 -12.653 894 HG LEU 114 HG LEU 114 6.254 -10.882 -14.041 895 HD11 LEU 114 HD11 LEU 114 7.359 -13.280 -13.216 896 HD12 LEU 114 HD12 LEU 114 7.126 -12.379 -11.718 897 HD13 LEU 114 HD13 LEU 114 8.071 -11.678 -13.031 898 HD21 LEU 114 HD21 LEU 114 5.808 -13.179 -14.873 899 HD22 LEU 114 HD22 LEU 114 4.353 -12.202 -14.676 900 HD23 LEU 114 HD23 LEU 114 4.756 -13.434 -13.481 901 H MET 115 HN MET 115 8.034 -9.726 -12.423 902 HA MET 115 HA MET 115 9.256 -11.143 -10.321 903 HB2 MET 115 HB2 MET 115 10.276 -10.894 -12.541 904 HB3 MET 115 HB1 MET 115 10.489 -9.172 -12.255 905 HG2 MET 115 HG2 MET 115 12.331 -9.479 -11.030 906 HG3 MET 115 HG1 MET 115 11.658 -10.871 -10.186 907 HE1 MET 115 HE1 MET 115 11.641 -10.652 -14.019 908 HE2 MET 115 HE2 MET 115 13.184 -11.359 -14.500 909 HE3 MET 115 HE3 MET 115 13.141 -9.769 -13.738 910 H ASP 116 HN ASP 116 8.595 -7.732 -10.790 911 HA ASP 116 HA ASP 116 10.256 -6.766 -8.702 912 HB2 ASP 116 HB2 ASP 116 9.502 -5.266 -10.446 913 HB3 ASP 116 HB1 ASP 116 7.818 -5.564 -10.029 914 H SER 117 HN SER 117 7.004 -8.024 -8.827 915 HA SER 117 HA SER 117 6.128 -7.109 -6.292 916 HB2 SER 117 HB2 SER 117 5.165 -9.682 -7.444 917 HB3 SER 117 HB1 SER 117 4.241 -8.400 -6.658 918 HG SER 117 HG SER 117 5.180 -8.565 -9.299 919 H LYS 118 HN LYS 118 7.465 -10.198 -7.404 920 HA LYS 118 HA LYS 118 7.422 -11.556 -4.967 921 HB2 LYS 118 HB2 LYS 118 9.373 -11.779 -7.270 922 HB3 LYS 118 HB1 LYS 118 9.289 -12.920 -5.935 923 HG2 LYS 118 HG2 LYS 118 6.920 -13.374 -6.566 924 HG3 LYS 118 HG1 LYS 118 7.165 -12.363 -7.992 925 HD2 LYS 118 HD2 LYS 118 9.077 -13.868 -8.609 926 HD3 LYS 118 HD1 LYS 118 8.578 -14.933 -7.294 927 HE2 LYS 118 HE2 LYS 118 6.928 -14.143 -9.692 928 HE3 LYS 118 HE1 LYS 118 7.671 -15.715 -9.406 929 HZ1 LYS 118 HZ1 LYS 118 6.232 -15.438 -7.187 930 HZ2 LYS 118 HZ2 LYS 118 5.646 -16.185 -8.586 931 HZ3 LYS 118 HZ3 LYS 118 5.259 -14.570 -8.266 932 H LEU 119 HN LEU 119 9.516 -9.116 -6.223 933 HA LEU 119 HA LEU 119 11.638 -9.455 -4.334 934 HB2 LEU 119 HB2 LEU 119 11.769 -8.270 -6.577 935 HB3 LEU 119 HB1 LEU 119 10.950 -6.922 -5.811 936 HG LEU 119 HG LEU 119 13.009 -7.323 -4.077 937 HD11 LEU 119 HD11 LEU 119 14.898 -8.106 -5.029 938 HD12 LEU 119 HD12 LEU 119 14.475 -7.501 -6.631 939 HD13 LEU 119 HD13 LEU 119 13.752 -8.995 -6.033 940 HD21 LEU 119 HD21 LEU 119 13.964 -5.587 -6.107 941 HD22 LEU 119 HD22 LEU 119 13.204 -5.171 -4.571 942 HD23 LEU 119 HD23 LEU 119 12.213 -5.401 -6.011 943 H ARG 120 HN ARG 120 8.832 -7.306 -4.542 944 HA ARG 120 HA ARG 120 9.401 -5.923 -2.117 945 HB2 ARG 120 HB2 ARG 120 7.967 -5.080 -4.026 946 HB3 ARG 120 HB1 ARG 120 6.713 -6.177 -3.466 947 HG2 ARG 120 HG2 ARG 120 6.315 -4.965 -1.548 948 HG3 ARG 120 HG1 ARG 120 7.914 -4.217 -1.566 949 HD2 ARG 120 HD2 ARG 120 6.824 -2.429 -2.377 950 HD3 ARG 120 HD1 ARG 120 6.877 -3.304 -3.904 951 HE ARG 120 HE ARG 120 4.566 -2.844 -2.230 952 HH11 ARG 120 HH11 ARG 120 5.934 -4.735 -4.829 953 HH12 ARG 120 HH12 ARG 120 4.393 -5.194 -5.470 954 HH21 ARG 120 HH21 ARG 120 2.542 -3.449 -3.074 955 HH22 ARG 120 HH22 ARG 120 2.468 -4.465 -4.475 956 H CYS 121 HN CYS 121 7.490 -8.740 -2.973 957 HA CYS 121 HA CYS 121 6.150 -9.000 -0.484 958 HB2 CYS 121 HB2 CYS 121 6.751 -11.134 -2.543 959 HB3 CYS 121 HB1 CYS 121 5.554 -11.242 -1.256 960 HG CYS 121 HG CYS 121 5.199 -9.795 -3.913 961 H VAL 122 HN VAL 122 9.219 -10.188 -1.724 962 HA VAL 122 HA VAL 122 9.681 -11.984 0.455 963 HB VAL 122 HB VAL 122 10.760 -12.320 -1.729 964 HG11 VAL 122 HG11 VAL 122 11.249 -10.153 -2.498 965 HG12 VAL 122 HG12 VAL 122 12.814 -10.908 -2.204 966 HG13 VAL 122 HG13 VAL 122 12.161 -9.753 -1.045 967 HG21 VAL 122 HG21 VAL 122 12.559 -13.337 -0.816 968 HG22 VAL 122 HG22 VAL 122 11.778 -12.863 0.693 969 HG23 VAL 122 HG23 VAL 122 13.088 -11.883 0.033 970 H PHE 123 HN PHE 123 10.553 -8.645 -0.248 971 HA PHE 123 HA PHE 123 12.420 -8.299 1.831 972 HB2 PHE 123 HB2 PHE 123 11.737 -6.753 -0.203 973 HB3 PHE 123 HB1 PHE 123 10.661 -6.034 0.990 974 HD1 PHE 123 HD1 PHE 123 11.619 -5.031 3.058 975 HD2 PHE 123 HD2 PHE 123 14.053 -6.316 -0.188 976 HE1 PHE 123 HE1 PHE 123 13.479 -3.671 3.921 977 HE2 PHE 123 HE2 PHE 123 15.918 -4.960 0.668 978 HZ PHE 123 HZ PHE 123 15.633 -3.635 2.726 979 H GLU 124 HN GLU 124 8.918 -7.769 1.702 980 HA GLU 124 HA GLU 124 8.686 -6.777 4.347 981 HB2 GLU 124 HB2 GLU 124 6.808 -7.748 2.253 982 HB3 GLU 124 HB1 GLU 124 6.216 -7.699 3.909 983 HG2 GLU 124 HG2 GLU 124 6.748 -5.331 4.046 984 HG3 GLU 124 HG1 GLU 124 7.390 -5.370 2.404 985 H LEU 125 HN LEU 125 7.979 -9.976 2.947 986 HA LEU 125 HA LEU 125 7.271 -11.239 5.344 987 HB2 LEU 125 HB2 LEU 125 6.956 -12.071 2.960 988 HB3 LEU 125 HB1 LEU 125 8.628 -12.594 3.023 989 HG LEU 125 HG LEU 125 7.961 -13.956 5.082 990 HD11 LEU 125 HD11 LEU 125 5.394 -14.582 4.671 991 HD12 LEU 125 HD12 LEU 125 5.350 -12.878 4.217 992 HD13 LEU 125 HD13 LEU 125 5.912 -13.350 5.821 993 HD21 LEU 125 HD21 LEU 125 6.758 -15.667 3.524 994 HD22 LEU 125 HD22 LEU 125 8.441 -15.233 3.226 995 HD23 LEU 125 HD23 LEU 125 7.158 -14.504 2.260 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -15.565 13.040 0.427 2 H2 MET 1 HT2 MET 1 -15.485 13.900 -1.057 3 H3 MET 1 HT3 MET 1 -14.055 13.605 -0.155 4 HA MET 1 HA MET 1 -14.579 11.188 -0.432 5 HB2 MET 1 HB2 MET 1 -16.896 12.209 -1.470 6 HB3 MET 1 HB1 MET 1 -15.979 11.873 -2.931 7 HG2 MET 1 HG2 MET 1 -15.581 9.555 -1.866 8 HG3 MET 1 HG1 MET 1 -16.943 9.981 -0.831 9 HE1 MET 1 HE1 MET 1 -17.953 7.787 -1.641 10 HE2 MET 1 HE2 MET 1 -16.937 7.367 -3.020 11 HE3 MET 1 HE3 MET 1 -18.682 7.521 -3.225 12 H ALA 2 HN ALA 2 -13.817 10.130 -2.597 13 HA ALA 2 HA ALA 2 -11.801 11.908 -3.811 14 HB1 ALA 2 HB1 ALA 2 -11.398 8.952 -3.553 15 HB2 ALA 2 HB2 ALA 2 -11.029 10.034 -2.210 16 HB3 ALA 2 HB3 ALA 2 -10.199 10.229 -3.753 17 H LYS 3 HN LYS 3 -11.036 11.149 -5.973 18 HA LYS 3 HA LYS 3 -13.161 10.949 -7.774 19 HB2 LYS 3 HB2 LYS 3 -10.239 10.290 -8.167 20 HB3 LYS 3 HB1 LYS 3 -11.405 10.457 -9.471 21 HG2 LYS 3 HG2 LYS 3 -10.978 12.684 -7.525 22 HG3 LYS 3 HG1 LYS 3 -9.872 12.446 -8.880 23 HD2 LYS 3 HD2 LYS 3 -11.513 12.895 -10.461 24 HD3 LYS 3 HD1 LYS 3 -12.829 12.538 -9.340 25 HE2 LYS 3 HE2 LYS 3 -12.995 14.776 -9.194 26 HE3 LYS 3 HE1 LYS 3 -11.635 14.618 -8.082 27 HZ1 LYS 3 HZ1 LYS 3 -11.715 15.712 -10.764 28 HZ2 LYS 3 HZ2 LYS 3 -10.372 14.740 -10.428 29 HZ3 LYS 3 HZ3 LYS 3 -10.697 16.093 -9.467 30 H VAL 4 HN VAL 4 -14.516 9.280 -7.855 31 HA VAL 4 HA VAL 4 -13.992 6.666 -7.036 32 HB VAL 4 HB VAL 4 -16.049 7.459 -9.096 33 HG11 VAL 4 HG11 VAL 4 -17.311 5.569 -8.135 34 HG12 VAL 4 HG12 VAL 4 -15.927 5.195 -7.108 35 HG13 VAL 4 HG13 VAL 4 -15.785 5.068 -8.861 36 HG21 VAL 4 HG21 VAL 4 -15.882 8.011 -6.199 37 HG22 VAL 4 HG22 VAL 4 -17.434 7.425 -6.795 38 HG23 VAL 4 HG23 VAL 4 -16.724 8.888 -7.476 39 H GLU 5 HN GLU 5 -13.878 8.104 -10.279 40 HA GLU 5 HA GLU 5 -13.357 5.708 -11.670 41 HB2 GLU 5 HB2 GLU 5 -12.763 8.589 -12.343 42 HB3 GLU 5 HB1 GLU 5 -12.458 7.262 -13.455 43 HG2 GLU 5 HG2 GLU 5 -15.171 7.576 -12.269 44 HG3 GLU 5 HG1 GLU 5 -14.671 8.632 -13.590 45 H GLN 6 HN GLN 6 -11.143 8.243 -10.497 46 HA GLN 6 HA GLN 6 -8.785 6.899 -11.347 47 HB2 GLN 6 HB2 GLN 6 -9.276 9.148 -9.397 48 HB3 GLN 6 HB1 GLN 6 -7.667 8.520 -9.711 49 HG2 GLN 6 HG2 GLN 6 -8.505 9.000 -12.234 50 HG3 GLN 6 HG1 GLN 6 -9.382 10.252 -11.356 51 HE21 GLN 6 1HE2 GLN 6 -8.274 12.076 -11.839 52 HE22 GLN 6 2HE2 GLN 6 -6.580 12.300 -11.573 53 H VAL 7 HN VAL 7 -10.550 7.061 -8.303 54 HA VAL 7 HA VAL 7 -8.624 5.459 -6.882 55 HB VAL 7 HB VAL 7 -11.365 6.343 -5.985 56 HG11 VAL 7 HG11 VAL 7 -10.348 6.035 -3.712 57 HG12 VAL 7 HG12 VAL 7 -8.990 5.234 -4.502 58 HG13 VAL 7 HG13 VAL 7 -10.608 4.544 -4.618 59 HG21 VAL 7 HG21 VAL 7 -9.330 8.009 -6.634 60 HG22 VAL 7 HG22 VAL 7 -8.972 7.691 -4.937 61 HG23 VAL 7 HG23 VAL 7 -10.541 8.353 -5.398 62 H LEU 8 HN LEU 8 -11.400 4.726 -8.799 63 HA LEU 8 HA LEU 8 -12.447 2.519 -7.477 64 HB2 LEU 8 HB2 LEU 8 -12.498 3.574 -10.187 65 HB3 LEU 8 HB1 LEU 8 -12.579 1.823 -10.164 66 HG LEU 8 HG LEU 8 -14.436 3.592 -8.578 67 HD11 LEU 8 HD11 LEU 8 -16.072 2.739 -10.404 68 HD12 LEU 8 HD12 LEU 8 -14.608 2.540 -11.368 69 HD13 LEU 8 HD13 LEU 8 -15.041 4.130 -10.740 70 HD21 LEU 8 HD21 LEU 8 -15.778 1.352 -8.820 71 HD22 LEU 8 HD22 LEU 8 -14.559 1.541 -7.561 72 HD23 LEU 8 HD23 LEU 8 -14.171 0.660 -9.039 73 H SER 9 HN SER 9 -9.838 2.537 -9.911 74 HA SER 9 HA SER 9 -8.186 1.046 -10.380 75 HB2 SER 9 HB2 SER 9 -8.079 -0.380 -7.873 76 HB3 SER 9 HB1 SER 9 -6.933 0.776 -8.549 77 HG SER 9 HG SER 9 -9.057 1.197 -6.766 78 H LEU 10 HN LEU 10 -11.269 -0.125 -9.694 79 HA LEU 10 HA LEU 10 -10.613 -2.926 -9.848 80 HB2 LEU 10 HB2 LEU 10 -13.064 -1.348 -9.408 81 HB3 LEU 10 HB1 LEU 10 -13.272 -2.914 -10.172 82 HG LEU 10 HG LEU 10 -11.877 -3.845 -8.223 83 HD11 LEU 10 HD11 LEU 10 -11.041 -1.754 -7.350 84 HD12 LEU 10 HD12 LEU 10 -12.068 -2.529 -6.144 85 HD13 LEU 10 HD13 LEU 10 -12.684 -1.171 -7.085 86 HD21 LEU 10 HD21 LEU 10 -14.012 -4.585 -8.087 87 HD22 LEU 10 HD22 LEU 10 -14.702 -2.972 -8.268 88 HD23 LEU 10 HD23 LEU 10 -14.058 -3.486 -6.709 89 H GLU 11 HN GLU 11 -11.247 -0.466 -12.152 90 HA GLU 11 HA GLU 11 -12.519 -1.996 -14.141 91 HB2 GLU 11 HB2 GLU 11 -11.053 0.575 -14.042 92 HB3 GLU 11 HB1 GLU 11 -11.144 -0.198 -15.619 93 HG2 GLU 11 HG2 GLU 11 -13.691 -0.400 -15.006 94 HG3 GLU 11 HG1 GLU 11 -13.307 0.949 -13.938 95 HA PRO 12 HA PRO 12 -8.199 -3.115 -15.788 96 HB2 PRO 12 HB2 PRO 12 -5.979 -2.280 -14.569 97 HB3 PRO 12 HB1 PRO 12 -6.905 -1.186 -15.604 98 HG2 PRO 12 HG2 PRO 12 -6.808 -1.349 -12.624 99 HG3 PRO 12 HG1 PRO 12 -6.901 0.081 -13.668 100 HD2 PRO 12 HD2 PRO 12 -9.054 -1.125 -12.362 101 HD3 PRO 12 HD1 PRO 12 -9.174 0.009 -13.720 102 H GLN 13 HN GLN 13 -9.028 -5.155 -14.904 103 HA GLN 13 HA GLN 13 -8.392 -6.075 -12.328 104 HB2 GLN 13 HB2 GLN 13 -8.993 -7.611 -14.865 105 HB3 GLN 13 HB1 GLN 13 -8.899 -8.336 -13.266 106 HG2 GLN 13 HG2 GLN 13 -10.852 -7.353 -12.554 107 HG3 GLN 13 HG1 GLN 13 -10.749 -6.047 -13.734 108 HE21 GLN 13 1HE2 GLN 13 -12.839 -8.115 -13.027 109 HE22 GLN 13 2HE2 GLN 13 -13.279 -8.807 -14.548 110 H HIS 14 HN HIS 14 -6.498 -5.820 -15.210 111 HA HIS 14 HA HIS 14 -4.508 -7.730 -14.253 112 HB2 HIS 14 HB2 HIS 14 -3.655 -7.760 -16.405 113 HB3 HIS 14 HB1 HIS 14 -5.343 -7.394 -16.722 114 HD1 HIS 14 HD1 HIS 14 -5.903 -4.918 -17.415 115 HD2 HIS 14 HD2 HIS 14 -1.850 -5.801 -17.160 116 HE1 HIS 14 HE1 HIS 14 -4.729 -3.034 -18.595 117 HE2 HIS 14 HE2 HIS 14 -2.280 -3.614 -18.473 118 H GLU 15 HN GLU 15 -2.136 -6.834 -14.846 119 HA GLU 15 HA GLU 15 -0.454 -5.333 -14.460 120 HB2 GLU 15 HB2 GLU 15 -2.222 -3.580 -15.143 121 HB3 GLU 15 HB1 GLU 15 -2.422 -3.315 -13.416 122 HG2 GLU 15 HG2 GLU 15 0.363 -3.282 -14.254 123 HG3 GLU 15 HG1 GLU 15 -0.618 -2.051 -15.050 124 H LEU 16 HN LEU 16 0.804 -5.826 -12.832 125 HA LEU 16 HA LEU 16 1.660 -5.927 -10.722 126 HB2 LEU 16 HB2 LEU 16 0.201 -3.856 -10.342 127 HB3 LEU 16 HB1 LEU 16 -0.957 -4.951 -9.613 128 HG LEU 16 HG LEU 16 1.809 -5.116 -8.579 129 HD11 LEU 16 HD11 LEU 16 1.927 -3.103 -7.549 130 HD12 LEU 16 HD12 LEU 16 0.176 -2.934 -7.431 131 HD13 LEU 16 HD13 LEU 16 0.992 -2.606 -8.959 132 HD21 LEU 16 HD21 LEU 16 0.790 -5.910 -6.726 133 HD22 LEU 16 HD22 LEU 16 -0.527 -6.221 -7.856 134 HD23 LEU 16 HD23 LEU 16 -0.555 -4.777 -6.845 135 H LYS 17 HN LYS 17 1.963 -7.937 -10.123 136 HA LYS 17 HA LYS 17 1.606 -10.083 -9.454 137 HB2 LYS 17 HB2 LYS 17 0.273 -8.392 -7.684 138 HB3 LYS 17 HB1 LYS 17 -0.890 -9.663 -8.034 139 HG2 LYS 17 HG2 LYS 17 1.089 -11.264 -7.550 140 HG3 LYS 17 HG1 LYS 17 1.793 -9.863 -6.741 141 HD2 LYS 17 HD2 LYS 17 -1.023 -10.477 -6.090 142 HD3 LYS 17 HD1 LYS 17 0.182 -11.627 -5.511 143 HE2 LYS 17 HE2 LYS 17 0.961 -8.858 -5.067 144 HE3 LYS 17 HE1 LYS 17 -0.559 -9.273 -4.274 145 HZ1 LYS 17 HZ1 LYS 17 1.002 -9.851 -2.705 146 HZ2 LYS 17 HZ2 LYS 17 2.125 -10.403 -3.843 147 HZ3 LYS 17 HZ3 LYS 17 0.757 -11.333 -3.484 148 H PHE 18 HN PHE 18 0.145 -9.025 -11.900 149 HA PHE 18 HA PHE 18 -1.189 -9.885 -13.520 150 HB2 PHE 18 HB2 PHE 18 -0.029 -12.044 -12.554 151 HB3 PHE 18 HB1 PHE 18 -1.651 -12.398 -11.967 152 HD1 PHE 18 HD1 PHE 18 -3.467 -11.715 -13.975 153 HD2 PHE 18 HD2 PHE 18 0.487 -13.218 -14.444 154 HE1 PHE 18 HE1 PHE 18 -4.073 -12.608 -16.186 155 HE2 PHE 18 HE2 PHE 18 -0.111 -14.113 -16.656 156 HZ PHE 18 HZ PHE 18 -2.394 -13.809 -17.529 157 H ARG 19 HN ARG 19 -2.626 -11.399 -10.615 158 HA ARG 19 HA ARG 19 -5.141 -10.028 -11.303 159 HB2 ARG 19 HB2 ARG 19 -4.562 -12.800 -10.393 160 HB3 ARG 19 HB1 ARG 19 -6.050 -12.052 -9.828 161 HG2 ARG 19 HG2 ARG 19 -6.852 -11.768 -12.042 162 HG3 ARG 19 HG1 ARG 19 -5.286 -12.198 -12.731 163 HD2 ARG 19 HD2 ARG 19 -5.605 -14.425 -12.417 164 HD3 ARG 19 HD1 ARG 19 -6.565 -14.192 -10.957 165 HE ARG 19 HE ARG 19 -7.936 -13.286 -13.284 166 HH11 ARG 19 HH11 ARG 19 -7.102 -16.150 -11.474 167 HH12 ARG 19 HH12 ARG 19 -8.468 -17.054 -12.036 168 HH21 ARG 19 HH21 ARG 19 -9.732 -14.473 -14.024 169 HH22 ARG 19 HH22 ARG 19 -9.961 -16.102 -13.484 170 H GLY 20 HN GLY 20 -3.426 -11.448 -8.520 171 HA2 GLY 20 HA2 GLY 20 -4.335 -10.936 -6.252 172 HA3 GLY 20 HA1 GLY 20 -2.884 -10.025 -6.597 173 HA PRO 21 HA PRO 21 -4.490 -5.954 -6.161 174 HB2 PRO 21 HB2 PRO 21 -5.246 -5.414 -8.895 175 HB3 PRO 21 HB1 PRO 21 -3.893 -4.753 -7.976 176 HG2 PRO 21 HG2 PRO 21 -3.943 -6.987 -9.890 177 HG3 PRO 21 HG1 PRO 21 -2.579 -5.993 -9.353 178 HD2 PRO 21 HD2 PRO 21 -2.844 -8.568 -8.608 179 HD3 PRO 21 HD1 PRO 21 -2.160 -7.345 -7.514 180 H PHE 22 HN PHE 22 -6.354 -7.850 -8.517 181 HA PHE 22 HA PHE 22 -8.811 -6.551 -7.953 182 HB2 PHE 22 HB2 PHE 22 -8.021 -8.107 -9.969 183 HB3 PHE 22 HB1 PHE 22 -8.803 -9.343 -8.986 184 HD1 PHE 22 HD1 PHE 22 -9.690 -5.781 -9.617 185 HD2 PHE 22 HD2 PHE 22 -10.801 -9.871 -10.002 186 HE1 PHE 22 HE1 PHE 22 -11.879 -5.098 -10.509 187 HE2 PHE 22 HE2 PHE 22 -12.991 -9.197 -10.897 188 HZ PHE 22 HZ PHE 22 -13.532 -6.807 -11.152 189 H THR 23 HN THR 23 -7.653 -9.823 -7.078 190 HA THR 23 HA THR 23 -9.850 -10.272 -5.330 191 HB THR 23 HB THR 23 -7.337 -11.826 -4.995 192 HG1 THR 23 HG1 THR 23 -7.547 -12.802 -6.942 193 HG21 THR 23 HG21 THR 23 -10.086 -12.221 -4.462 194 HG22 THR 23 HG22 THR 23 -8.731 -13.304 -4.141 195 HG23 THR 23 HG23 THR 23 -9.589 -13.395 -5.679 196 H ASP 24 HN ASP 24 -6.393 -9.667 -4.626 197 HA ASP 24 HA ASP 24 -6.792 -9.613 -1.820 198 HB2 ASP 24 HB2 ASP 24 -4.642 -10.023 -3.273 199 HB3 ASP 24 HB1 ASP 24 -4.432 -8.287 -3.069 200 H VAL 25 HN VAL 25 -6.079 -6.923 -4.084 201 HA VAL 25 HA VAL 25 -6.270 -4.968 -2.030 202 HB VAL 25 HB VAL 25 -6.470 -4.474 -4.993 203 HG11 VAL 25 HG11 VAL 25 -5.829 -2.682 -2.662 204 HG12 VAL 25 HG12 VAL 25 -7.187 -2.549 -3.779 205 HG13 VAL 25 HG13 VAL 25 -5.545 -2.247 -4.348 206 HG21 VAL 25 HG21 VAL 25 -4.440 -5.768 -4.145 207 HG22 VAL 25 HG22 VAL 25 -3.994 -4.282 -3.306 208 HG23 VAL 25 HG23 VAL 25 -4.129 -4.296 -5.065 209 H VAL 26 HN VAL 26 -8.656 -6.023 -4.446 210 HA VAL 26 HA VAL 26 -10.505 -3.991 -4.039 211 HB VAL 26 HB VAL 26 -11.065 -6.856 -4.791 212 HG11 VAL 26 HG11 VAL 26 -13.100 -5.491 -5.875 213 HG12 VAL 26 HG12 VAL 26 -12.841 -4.524 -4.423 214 HG13 VAL 26 HG13 VAL 26 -13.187 -6.248 -4.285 215 HG21 VAL 26 HG21 VAL 26 -10.919 -4.408 -6.544 216 HG22 VAL 26 HG22 VAL 26 -11.039 -6.093 -7.052 217 HG23 VAL 26 HG23 VAL 26 -9.562 -5.506 -6.287 218 H THR 27 HN THR 27 -9.904 -6.824 -2.045 219 HA THR 27 HA THR 27 -12.297 -6.876 -0.619 220 HB THR 27 HB THR 27 -9.564 -7.362 0.575 221 HG1 THR 27 HG1 THR 27 -9.462 -9.179 -0.491 222 HG21 THR 27 HG21 THR 27 -12.265 -8.519 1.209 223 HG22 THR 27 HG22 THR 27 -11.281 -7.477 2.239 224 HG23 THR 27 HG23 THR 27 -10.737 -9.112 1.859 225 H THR 28 HN THR 28 -9.313 -5.064 0.103 226 HA THR 28 HA THR 28 -10.468 -3.632 2.295 227 HB THR 28 HB THR 28 -8.073 -2.770 0.671 228 HG1 THR 28 HG1 THR 28 -7.664 -4.876 1.209 229 HG21 THR 28 HG21 THR 28 -8.544 -1.124 2.266 230 HG22 THR 28 HG22 THR 28 -7.260 -2.105 2.975 231 HG23 THR 28 HG23 THR 28 -8.929 -2.317 3.506 232 H ASN 29 HN ASN 29 -9.961 -3.075 -1.105 233 HA ASN 29 HA ASN 29 -10.708 -0.383 -1.284 234 HB2 ASN 29 HB2 ASN 29 -9.676 -2.165 -3.018 235 HB3 ASN 29 HB1 ASN 29 -11.349 -2.154 -3.570 236 HD21 ASN 29 1HE2 ASN 29 -12.258 -0.179 -4.287 237 HD22 ASN 29 2HE2 ASN 29 -11.250 1.098 -4.867 238 H LEU 30 HN LEU 30 -12.622 -3.305 -1.151 239 HA LEU 30 HA LEU 30 -15.002 -2.424 -2.272 240 HB2 LEU 30 HB2 LEU 30 -14.670 -4.734 -1.678 241 HB3 LEU 30 HB1 LEU 30 -14.542 -4.326 0.022 242 HG LEU 30 HG LEU 30 -16.729 -5.378 -0.802 243 HD11 LEU 30 HD11 LEU 30 -17.842 -4.443 0.957 244 HD12 LEU 30 HD12 LEU 30 -17.294 -2.809 0.581 245 HD13 LEU 30 HD13 LEU 30 -16.193 -3.954 1.347 246 HD21 LEU 30 HD21 LEU 30 -18.147 -4.256 -2.141 247 HD22 LEU 30 HD22 LEU 30 -16.682 -3.432 -2.676 248 HD23 LEU 30 HD23 LEU 30 -17.718 -2.687 -1.459 249 H LYS 31 HN LYS 31 -13.907 -2.072 1.099 250 HA LYS 31 HA LYS 31 -16.261 -0.438 1.677 251 HB2 LYS 31 HB2 LYS 31 -14.066 -1.591 3.385 252 HB3 LYS 31 HB1 LYS 31 -15.160 -0.360 4.003 253 HG2 LYS 31 HG2 LYS 31 -16.554 -2.567 2.720 254 HG3 LYS 31 HG1 LYS 31 -15.561 -3.075 4.088 255 HD2 LYS 31 HD2 LYS 31 -16.774 -1.831 5.601 256 HD3 LYS 31 HD1 LYS 31 -17.320 -0.681 4.377 257 HE2 LYS 31 HE2 LYS 31 -19.261 -1.802 4.508 258 HE3 LYS 31 HE1 LYS 31 -18.448 -2.984 3.483 259 HZ1 LYS 31 HZ1 LYS 31 -19.499 -4.020 5.402 260 HZ2 LYS 31 HZ2 LYS 31 -18.566 -3.077 6.449 261 HZ3 LYS 31 HZ3 LYS 31 -17.819 -4.221 5.452 262 H LEU 32 HN LEU 32 -13.686 0.182 0.033 263 HA LEU 32 HA LEU 32 -12.042 1.814 -0.098 264 HB2 LEU 32 HB2 LEU 32 -14.629 2.568 -0.816 265 HB3 LEU 32 HB1 LEU 32 -13.989 3.948 0.056 266 HG LEU 32 HG LEU 32 -12.485 2.655 -2.223 267 HD11 LEU 32 HD11 LEU 32 -14.249 3.334 -3.468 268 HD12 LEU 32 HD12 LEU 32 -13.435 4.893 -3.332 269 HD13 LEU 32 HD13 LEU 32 -14.789 4.510 -2.270 270 HD21 LEU 32 HD21 LEU 32 -12.165 5.040 -0.500 271 HD22 LEU 32 HD22 LEU 32 -11.776 5.235 -2.209 272 HD23 LEU 32 HD23 LEU 32 -10.949 4.007 -1.251 273 H GLY 33 HN GLY 33 -12.095 1.080 2.552 274 HA2 GLY 33 HA2 GLY 33 -10.659 2.822 3.930 275 HA3 GLY 33 HA1 GLY 33 -12.253 3.533 4.126 276 H ASN 34 HN ASN 34 -13.485 0.799 4.109 277 HA ASN 34 HA ASN 34 -14.192 -0.727 5.644 278 HB2 ASN 34 HB2 ASN 34 -11.253 -0.582 6.091 279 HB3 ASN 34 HB1 ASN 34 -12.216 -1.415 7.307 280 HD21 ASN 34 1HE2 ASN 34 -14.101 -2.691 5.921 281 HD22 ASN 34 2HE2 ASN 34 -13.406 -3.822 4.816 282 HA PRO 35 HA PRO 35 -15.413 1.368 9.328 283 HB2 PRO 35 HB2 PRO 35 -15.616 -0.613 11.174 284 HB3 PRO 35 HB1 PRO 35 -16.764 -0.421 9.844 285 HG2 PRO 35 HG2 PRO 35 -14.429 -2.281 10.077 286 HG3 PRO 35 HG1 PRO 35 -16.061 -2.605 9.462 287 HD2 PRO 35 HD2 PRO 35 -13.950 -2.157 7.827 288 HD3 PRO 35 HD1 PRO 35 -15.605 -1.677 7.403 289 H THR 36 HN THR 36 -12.870 1.975 9.015 290 HA THR 36 HA THR 36 -11.869 2.290 11.651 291 HB THR 36 HB THR 36 -9.603 1.132 10.925 292 HG1 THR 36 HG1 THR 36 -10.317 0.483 8.883 293 HG21 THR 36 HG21 THR 36 -11.539 0.425 12.685 294 HG22 THR 36 HG22 THR 36 -10.027 -0.448 12.442 295 HG23 THR 36 HG23 THR 36 -11.494 -0.983 11.624 296 H ASP 37 HN ASP 37 -9.287 2.974 11.243 297 HA ASP 37 HA ASP 37 -8.065 4.796 10.601 298 HB2 ASP 37 HB2 ASP 37 -8.859 4.442 7.762 299 HB3 ASP 37 HB1 ASP 37 -7.256 4.587 8.474 300 H ARG 38 HN ARG 38 -10.719 5.465 11.371 301 HA ARG 38 HA ARG 38 -11.252 7.759 9.596 302 HB2 ARG 38 HB2 ARG 38 -13.071 5.872 11.000 303 HB3 ARG 38 HB1 ARG 38 -13.578 7.552 10.896 304 HG2 ARG 38 HG2 ARG 38 -12.623 6.608 8.347 305 HG3 ARG 38 HG1 ARG 38 -13.903 5.568 8.973 306 HD2 ARG 38 HD2 ARG 38 -14.032 8.560 8.613 307 HD3 ARG 38 HD1 ARG 38 -14.849 7.350 7.624 308 HE ARG 38 HE ARG 38 -15.624 6.978 10.285 309 HH11 ARG 38 HH11 ARG 38 -15.979 9.330 7.732 310 HH12 ARG 38 HH12 ARG 38 -17.510 9.903 8.302 311 HH21 ARG 38 HH21 ARG 38 -17.636 7.731 11.037 312 HH22 ARG 38 HH22 ARG 38 -18.452 8.995 10.180 313 H ASN 39 HN ASN 39 -12.804 9.341 11.101 314 HA ASN 39 HA ASN 39 -12.755 10.944 12.689 315 HB2 ASN 39 HB2 ASN 39 -12.875 8.606 14.028 316 HB3 ASN 39 HB1 ASN 39 -11.356 9.231 14.663 317 HD21 ASN 39 1HE2 ASN 39 -11.732 10.049 16.588 318 HD22 ASN 39 2HE2 ASN 39 -13.035 11.103 17.009 319 H VAL 40 HN VAL 40 -11.155 11.859 14.487 320 HA VAL 40 HA VAL 40 -9.063 13.095 13.201 321 HB VAL 40 HB VAL 40 -8.134 13.619 15.440 322 HG11 VAL 40 HG11 VAL 40 -10.957 14.037 14.673 323 HG12 VAL 40 HG12 VAL 40 -9.678 15.211 14.982 324 HG13 VAL 40 HG13 VAL 40 -10.521 14.449 16.331 325 HG21 VAL 40 HG21 VAL 40 -8.390 11.878 16.876 326 HG22 VAL 40 HG22 VAL 40 -9.956 11.414 16.211 327 HG23 VAL 40 HG23 VAL 40 -9.839 12.785 17.314 328 H CYS 41 HN CYS 41 -6.681 12.938 14.143 329 HA CYS 41 HA CYS 41 -4.710 11.799 14.104 330 HB2 CYS 41 HB2 CYS 41 -6.421 9.524 15.136 331 HB3 CYS 41 HB1 CYS 41 -4.661 9.559 15.148 332 HG CYS 41 HG CYS 41 -5.295 10.318 17.476 333 H PHE 42 HN PHE 42 -3.616 9.769 13.124 334 HA PHE 42 HA PHE 42 -4.861 8.157 11.244 335 HB2 PHE 42 HB2 PHE 42 -4.477 10.883 10.328 336 HB3 PHE 42 HB1 PHE 42 -3.597 9.743 9.316 337 HD1 PHE 42 HD2 PHE 42 -5.277 7.418 9.210 338 HD2 PHE 42 HD1 PHE 42 -6.379 11.528 9.218 339 HE1 PHE 42 HE2 PHE 42 -7.362 6.857 8.030 340 HE2 PHE 42 HE1 PHE 42 -8.467 10.975 8.038 341 HZ PHE 42 HZ PHE 42 -8.959 8.636 7.443 342 H LYS 43 HN LYS 43 -1.964 10.220 10.960 343 HA LYS 43 HA LYS 43 -0.255 8.245 10.029 344 HB2 LYS 43 HB2 LYS 43 1.586 9.723 10.833 345 HB3 LYS 43 HB1 LYS 43 0.367 10.553 9.875 346 HG2 LYS 43 HG2 LYS 43 -0.675 11.348 11.977 347 HG3 LYS 43 HG1 LYS 43 0.658 10.612 12.870 348 HD2 LYS 43 HD2 LYS 43 2.211 12.019 11.454 349 HD3 LYS 43 HD1 LYS 43 0.777 12.880 10.893 350 HE2 LYS 43 HE2 LYS 43 0.360 13.804 12.972 351 HE3 LYS 43 HE1 LYS 43 1.267 12.554 13.823 352 HZ1 LYS 43 HZ1 LYS 43 2.205 14.996 13.378 353 HZ2 LYS 43 HZ2 LYS 43 2.795 14.220 11.997 354 HZ3 LYS 43 HZ3 LYS 43 3.202 13.638 13.532 355 H VAL 44 HN VAL 44 0.259 6.374 10.953 356 HA VAL 44 HA VAL 44 -0.084 5.634 13.594 357 HB VAL 44 HB VAL 44 2.198 4.495 12.015 358 HG11 VAL 44 HG11 VAL 44 2.086 3.264 13.910 359 HG12 VAL 44 HG12 VAL 44 0.852 2.401 12.993 360 HG13 VAL 44 HG13 VAL 44 0.379 3.621 14.174 361 HG21 VAL 44 HG21 VAL 44 0.845 4.215 10.250 362 HG22 VAL 44 HG22 VAL 44 -0.599 4.618 11.175 363 HG23 VAL 44 HG23 VAL 44 0.055 2.980 11.228 364 H LYS 45 HN LYS 45 2.720 7.120 12.060 365 HA LYS 45 HA LYS 45 4.559 8.149 12.902 366 HB2 LYS 45 HB2 LYS 45 2.987 9.430 14.243 367 HB3 LYS 45 HB1 LYS 45 2.929 8.155 15.449 368 HG2 LYS 45 HG2 LYS 45 5.371 8.527 15.839 369 HG3 LYS 45 HG1 LYS 45 5.258 9.935 14.780 370 HD2 LYS 45 HD2 LYS 45 3.182 10.366 16.493 371 HD3 LYS 45 HD1 LYS 45 4.355 9.576 17.548 372 HE2 LYS 45 HE2 LYS 45 5.527 11.620 15.822 373 HE3 LYS 45 HE1 LYS 45 4.303 12.249 16.924 374 HZ1 LYS 45 HZ1 LYS 45 6.894 11.022 17.528 375 HZ2 LYS 45 HZ2 LYS 45 5.634 10.810 18.636 376 HZ3 LYS 45 HZ3 LYS 45 6.149 12.368 18.230 377 H THR 46 HN THR 46 3.683 6.433 15.884 378 HA THR 46 HA THR 46 6.293 5.121 15.819 379 HB THR 46 HB THR 46 5.357 4.384 18.199 380 HG1 THR 46 HG1 THR 46 3.854 5.713 18.992 381 HG21 THR 46 HG21 THR 46 5.966 7.022 18.761 382 HG22 THR 46 HG22 THR 46 6.867 6.666 17.286 383 HG23 THR 46 HG23 THR 46 7.087 5.661 18.719 384 H THR 47 HN THR 47 5.270 3.830 13.959 385 HA THR 47 HA THR 47 3.336 1.842 14.551 386 HB THR 47 HB THR 47 5.237 1.204 12.401 387 HG1 THR 47 HG1 THR 47 3.934 3.707 12.502 388 HG21 THR 47 HG21 THR 47 2.785 1.741 11.281 389 HG22 THR 47 HG22 THR 47 2.383 1.113 12.878 390 HG23 THR 47 HG23 THR 47 3.383 0.160 11.783 391 H ALA 48 HN ALA 48 3.533 -0.068 15.521 392 HA ALA 48 HA ALA 48 6.231 -0.988 16.228 393 HB1 ALA 48 HB1 ALA 48 4.727 -2.508 17.791 394 HB2 ALA 48 HB2 ALA 48 3.573 -1.198 17.534 395 HB3 ALA 48 HB3 ALA 48 5.156 -0.854 18.233 396 HA PRO 49 HA PRO 49 5.080 -3.994 12.940 397 HB2 PRO 49 HB2 PRO 49 7.667 -4.629 12.343 398 HB3 PRO 49 HB1 PRO 49 6.808 -3.262 11.627 399 HG2 PRO 49 HG2 PRO 49 8.745 -3.298 13.907 400 HG3 PRO 49 HG1 PRO 49 8.622 -2.150 12.560 401 HD2 PRO 49 HD2 PRO 49 7.661 -1.585 15.014 402 HD3 PRO 49 HD1 PRO 49 6.870 -1.000 13.535 403 H ARG 50 HN ARG 50 4.247 -5.621 14.191 404 HA ARG 50 HA ARG 50 6.112 -7.228 15.786 405 HB2 ARG 50 HB2 ARG 50 3.169 -6.760 15.863 406 HB3 ARG 50 HB1 ARG 50 3.770 -8.315 16.422 407 HG2 ARG 50 HG2 ARG 50 5.189 -5.977 17.491 408 HG3 ARG 50 HG1 ARG 50 3.500 -6.127 17.982 409 HD2 ARG 50 HD2 ARG 50 4.665 -7.307 19.623 410 HD3 ARG 50 HD1 ARG 50 4.082 -8.564 18.533 411 HE ARG 50 HE ARG 50 6.545 -8.013 17.567 412 HH11 ARG 50 HH11 ARG 50 5.363 -8.801 20.755 413 HH12 ARG 50 HH12 ARG 50 6.832 -9.576 21.244 414 HH21 ARG 50 HH21 ARG 50 8.478 -9.032 18.208 415 HH22 ARG 50 HH22 ARG 50 8.601 -9.708 19.799 416 H ARG 51 HN ARG 51 3.955 -7.357 13.036 417 HA ARG 51 HA ARG 51 4.981 -10.047 12.441 418 HB2 ARG 51 HB2 ARG 51 2.140 -9.090 12.420 419 HB3 ARG 51 HB1 ARG 51 2.644 -10.369 11.323 420 HG2 ARG 51 HG2 ARG 51 3.492 -11.619 13.326 421 HG3 ARG 51 HG1 ARG 51 2.707 -10.397 14.327 422 HD2 ARG 51 HD2 ARG 51 1.382 -12.502 13.918 423 HD3 ARG 51 HD1 ARG 51 0.560 -10.993 13.536 424 HE ARG 51 HE ARG 51 1.486 -13.012 11.651 425 HH11 ARG 51 HH11 ARG 51 0.092 -9.845 12.143 426 HH12 ARG 51 HH12 ARG 51 -0.543 -9.742 10.537 427 HH21 ARG 51 HH21 ARG 51 0.652 -12.871 9.541 428 HH22 ARG 51 HH22 ARG 51 -0.226 -11.456 9.060 429 H TYR 52 HN TYR 52 5.587 -7.220 11.523 430 HA TYR 52 HA TYR 52 6.147 -6.145 9.600 431 HB2 TYR 52 HB2 TYR 52 6.338 -9.023 8.951 432 HB3 TYR 52 HB1 TYR 52 6.261 -7.937 7.568 433 HD1 TYR 52 HD1 TYR 52 7.863 -5.785 7.861 434 HD2 TYR 52 HD2 TYR 52 8.441 -9.573 9.707 435 HE1 TYR 52 HE1 TYR 52 10.261 -5.293 8.107 436 HE2 TYR 52 HE2 TYR 52 10.839 -9.092 9.960 437 HH TYR 52 HH TYR 52 12.153 -5.967 9.420 438 H CYS 53 HN CYS 53 4.578 -4.787 9.036 439 HA CYS 53 HA CYS 53 2.978 -3.932 7.581 440 HB2 CYS 53 HB2 CYS 53 3.482 -5.672 5.899 441 HB3 CYS 53 HB1 CYS 53 2.410 -6.790 6.727 442 HG CYS 53 HG CYS 53 1.070 -5.760 4.724 443 H VAL 54 HN VAL 54 1.734 -3.139 9.134 444 HA VAL 54 HA VAL 54 -0.577 -4.747 9.968 445 HB VAL 54 HB VAL 54 -0.434 -3.774 12.251 446 HG11 VAL 54 HG11 VAL 54 2.090 -5.282 11.647 447 HG12 VAL 54 HG12 VAL 54 0.501 -6.043 11.556 448 HG13 VAL 54 HG13 VAL 54 1.070 -5.368 13.084 449 HG21 VAL 54 HG21 VAL 54 2.129 -2.673 11.153 450 HG22 VAL 54 HG22 VAL 54 1.931 -2.972 12.880 451 HG23 VAL 54 HG23 VAL 54 0.857 -1.844 12.050 452 H ARG 55 HN ARG 55 -2.346 -3.348 10.887 453 HA ARG 55 HA ARG 55 -2.222 -0.578 9.958 454 HB2 ARG 55 HB2 ARG 55 -3.901 -2.720 8.822 455 HB3 ARG 55 HB1 ARG 55 -4.736 -1.209 9.159 456 HG2 ARG 55 HG2 ARG 55 -3.313 0.007 7.711 457 HG3 ARG 55 HG1 ARG 55 -2.192 -1.348 7.565 458 HD2 ARG 55 HD2 ARG 55 -4.942 -1.985 6.793 459 HD3 ARG 55 HD1 ARG 55 -4.189 -0.740 5.796 460 HE ARG 55 HE ARG 55 -2.311 -2.707 5.936 461 HH11 ARG 55 HH11 ARG 55 -5.662 -2.597 4.967 462 HH12 ARG 55 HH12 ARG 55 -5.502 -3.880 3.815 463 HH21 ARG 55 HH21 ARG 55 -2.098 -4.395 4.421 464 HH22 ARG 55 HH22 ARG 55 -3.477 -4.902 3.506 465 H SER 56 HN SER 56 -2.445 -2.100 12.603 466 HA SER 56 HA SER 56 -4.283 -0.260 13.799 467 HB2 SER 56 HB2 SER 56 -5.646 -2.203 14.857 468 HB3 SER 56 HB1 SER 56 -6.037 -1.681 13.218 469 HG SER 56 HG SER 56 -4.272 -3.820 13.802 470 H ASN 57 HN ASN 57 -1.559 -0.684 14.267 471 HA ASN 57 HA ASN 57 -1.314 -2.304 16.654 472 HB2 ASN 57 HB2 ASN 57 0.476 -1.251 14.690 473 HB3 ASN 57 HB1 ASN 57 0.997 -0.691 16.277 474 HD21 ASN 57 1HE2 ASN 57 1.440 -2.264 17.900 475 HD22 ASN 57 2HE2 ASN 57 1.917 -3.864 17.458 476 H SER 58 HN SER 58 -1.512 1.117 15.811 477 HA SER 58 HA SER 58 -0.973 1.948 18.536 478 HB2 SER 58 HB2 SER 58 -1.496 4.245 17.624 479 HB3 SER 58 HB1 SER 58 -0.163 3.409 16.827 480 HG SER 58 HG SER 58 -1.353 3.152 15.059 481 H GLY 59 HN GLY 59 -3.830 1.601 16.473 482 HA2 GLY 59 HA2 GLY 59 -5.666 1.101 18.402 483 HA3 GLY 59 HA1 GLY 59 -5.591 2.857 18.361 484 H ILE 60 HN ILE 60 -5.261 0.616 15.652 485 HA ILE 60 HA ILE 60 -6.346 0.353 13.716 486 HB ILE 60 HB ILE 60 -8.680 0.136 13.679 487 HG12 ILE 60 HG12 ILE 60 -9.165 1.416 16.327 488 HG13 ILE 60 HG11 ILE 60 -8.953 2.474 14.940 489 HG21 ILE 60 HG21 ILE 60 -7.568 -0.523 16.389 490 HG22 ILE 60 HG22 ILE 60 -7.692 -1.569 14.974 491 HG23 ILE 60 HG23 ILE 60 -9.149 -1.072 15.834 492 HD11 ILE 60 HD11 ILE 60 -10.848 0.214 14.687 493 HD12 ILE 60 HD12 ILE 60 -10.895 1.823 13.965 494 HD13 ILE 60 HD13 ILE 60 -11.319 1.606 15.662 495 H ILE 61 HN ILE 61 -7.285 3.424 15.259 496 HA ILE 61 HA ILE 61 -7.833 4.634 12.698 497 HB ILE 61 HB ILE 61 -8.238 5.293 15.524 498 HG12 ILE 61 HG12 ILE 61 -9.698 6.017 12.979 499 HG13 ILE 61 HG11 ILE 61 -10.048 4.643 14.020 500 HG21 ILE 61 HG21 ILE 61 -7.615 7.504 13.577 501 HG22 ILE 61 HG22 ILE 61 -6.757 7.119 15.071 502 HG23 ILE 61 HG23 ILE 61 -8.410 7.733 15.136 503 HD11 ILE 61 HD11 ILE 61 -10.187 7.470 15.008 504 HD12 ILE 61 HD12 ILE 61 -10.869 6.015 15.735 505 HD13 ILE 61 HD13 ILE 61 -11.554 6.660 14.242 506 H ASP 62 HN ASP 62 -5.265 4.697 15.093 507 HA ASP 62 HA ASP 62 -3.842 6.801 13.717 508 HB2 ASP 62 HB2 ASP 62 -3.345 5.189 16.203 509 HB3 ASP 62 HB1 ASP 62 -2.044 6.130 15.479 510 H ALA 63 HN ALA 63 -3.820 3.331 14.018 511 HA ALA 63 HA ALA 63 -1.297 3.045 12.636 512 HB1 ALA 63 HB1 ALA 63 -2.421 0.554 12.668 513 HB2 ALA 63 HB2 ALA 63 -3.116 1.317 14.097 514 HB3 ALA 63 HB3 ALA 63 -1.365 1.229 13.906 515 H GLY 64 HN GLY 64 -4.542 3.441 11.662 516 HA2 GLY 64 HA2 GLY 64 -4.458 1.845 9.288 517 HA3 GLY 64 HA1 GLY 64 -5.657 3.064 9.677 518 H ALA 65 HN ALA 65 -2.701 4.555 9.912 519 HA ALA 65 HA ALA 65 -3.119 5.972 7.455 520 HB1 ALA 65 HB1 ALA 65 -0.757 6.921 8.238 521 HB2 ALA 65 HB2 ALA 65 -1.292 6.216 9.763 522 HB3 ALA 65 HB3 ALA 65 -2.282 7.436 8.959 523 H SER 66 HN SER 66 -1.728 3.021 7.986 524 HA SER 66 HA SER 66 0.508 3.344 6.167 525 HB2 SER 66 HB2 SER 66 0.409 0.685 6.538 526 HB3 SER 66 HB1 SER 66 1.159 1.781 7.697 527 HG SER 66 HG SER 66 -1.564 1.015 7.830 528 H ILE 67 HN ILE 67 -2.616 3.351 5.534 529 HA ILE 67 HA ILE 67 -2.797 1.255 3.563 530 HB ILE 67 HB ILE 67 -4.659 3.599 3.929 531 HG12 ILE 67 HG12 ILE 67 -5.127 0.869 5.085 532 HG13 ILE 67 HG11 ILE 67 -4.168 2.049 5.972 533 HG21 ILE 67 HG21 ILE 67 -6.089 1.372 3.116 534 HG22 ILE 67 HG22 ILE 67 -4.607 1.303 2.162 535 HG23 ILE 67 HG23 ILE 67 -5.621 2.744 2.112 536 HD11 ILE 67 HD11 ILE 67 -7.064 1.969 5.438 537 HD12 ILE 67 HD12 ILE 67 -6.297 3.558 5.402 538 HD13 ILE 67 HD13 ILE 67 -6.178 2.554 6.847 539 H ASN 68 HN ASN 68 -1.532 4.419 3.579 540 HA ASN 68 HA ASN 68 -0.412 5.537 1.915 541 HB2 ASN 68 HB2 ASN 68 -0.429 3.155 0.758 542 HB3 ASN 68 HB1 ASN 68 -1.626 3.914 -0.285 543 HD21 ASN 68 1HE2 ASN 68 -0.241 3.778 -2.084 544 HD22 ASN 68 2HE2 ASN 68 1.125 4.823 -2.257 545 H VAL 69 HN VAL 69 -3.748 5.051 2.136 546 HA VAL 69 HA VAL 69 -4.479 6.968 0.098 547 HB VAL 69 HB VAL 69 -6.252 5.766 2.224 548 HG11 VAL 69 HG11 VAL 69 -7.271 7.672 1.210 549 HG12 VAL 69 HG12 VAL 69 -8.021 6.234 0.517 550 HG13 VAL 69 HG13 VAL 69 -6.813 7.129 -0.404 551 HG21 VAL 69 HG21 VAL 69 -5.928 4.757 -0.591 552 HG22 VAL 69 HG22 VAL 69 -6.783 3.998 0.753 553 HG23 VAL 69 HG23 VAL 69 -5.023 4.094 0.769 554 H SER 70 HN SER 70 -4.072 6.905 3.591 555 HA SER 70 HA SER 70 -5.237 9.526 3.942 556 HB2 SER 70 HB2 SER 70 -3.553 8.384 6.096 557 HB3 SER 70 HB1 SER 70 -5.165 9.094 6.179 558 HG SER 70 HG SER 70 -5.837 7.077 5.063 559 H VAL 71 HN VAL 71 -1.994 8.101 4.080 560 HA VAL 71 HA VAL 71 -0.791 10.750 4.289 561 HB VAL 71 HB VAL 71 1.350 9.554 4.495 562 HG11 VAL 71 HG11 VAL 71 0.986 9.353 6.682 563 HG12 VAL 71 HG12 VAL 71 -0.119 7.999 6.448 564 HG13 VAL 71 HG13 VAL 71 -0.718 9.654 6.343 565 HG21 VAL 71 HG21 VAL 71 -0.260 7.336 3.512 566 HG22 VAL 71 HG22 VAL 71 0.683 6.915 4.941 567 HG23 VAL 71 HG23 VAL 71 1.490 7.554 3.508 568 H MET 72 HN MET 72 1.414 10.794 2.897 569 HA MET 72 HA MET 72 1.409 9.644 0.337 570 HB2 MET 72 HB2 MET 72 -0.608 11.370 0.391 571 HB3 MET 72 HB1 MET 72 0.679 12.519 0.062 572 HG2 MET 72 HG2 MET 72 0.668 11.970 -2.075 573 HG3 MET 72 HG1 MET 72 0.998 10.287 -1.671 574 HE1 MET 72 HE1 MET 72 -2.119 12.890 -2.343 575 HE2 MET 72 HE2 MET 72 -1.891 12.495 -0.639 576 HE3 MET 72 HE3 MET 72 -3.297 11.878 -1.508 577 H LEU 73 HN LEU 73 2.016 12.986 1.431 578 HA LEU 73 HA LEU 73 4.560 13.100 0.191 579 HB2 LEU 73 HB2 LEU 73 4.812 15.164 1.720 580 HB3 LEU 73 HB1 LEU 73 3.599 15.182 0.454 581 HG LEU 73 HG LEU 73 2.603 14.205 3.036 582 HD11 LEU 73 HD11 LEU 73 2.531 16.975 3.380 583 HD12 LEU 73 HD12 LEU 73 4.204 16.595 2.976 584 HD13 LEU 73 HD13 LEU 73 3.426 15.799 4.343 585 HD21 LEU 73 HD21 LEU 73 1.000 16.227 2.311 586 HD22 LEU 73 HD22 LEU 73 0.865 14.600 1.645 587 HD23 LEU 73 HD23 LEU 73 1.725 15.852 0.748 588 H GLN 74 HN GLN 74 3.551 12.538 3.545 589 HA GLN 74 HA GLN 74 6.147 11.317 4.061 590 HB2 GLN 74 HB2 GLN 74 6.209 12.595 6.294 591 HB3 GLN 74 HB1 GLN 74 6.708 13.446 4.840 592 HG2 GLN 74 HG2 GLN 74 5.097 14.960 5.050 593 HG3 GLN 74 HG1 GLN 74 3.871 13.732 5.361 594 HE21 GLN 74 1HE2 GLN 74 4.587 12.595 7.646 595 HE22 GLN 74 2HE2 GLN 74 4.648 13.743 8.935 596 HA PRO 75 HA PRO 75 2.765 8.857 5.937 597 HB2 PRO 75 HB2 PRO 75 4.511 6.585 5.382 598 HB3 PRO 75 HB1 PRO 75 2.886 6.911 4.783 599 HG2 PRO 75 HG2 PRO 75 5.083 7.005 3.195 600 HG3 PRO 75 HG1 PRO 75 3.648 8.008 2.918 601 HD2 PRO 75 HD2 PRO 75 6.260 8.743 4.183 602 HD3 PRO 75 HD1 PRO 75 5.251 9.676 3.056 603 H PHE 76 HN PHE 76 6.255 8.237 6.318 604 HA PHE 76 HA PHE 76 6.018 8.467 9.189 605 HB2 PHE 76 HB2 PHE 76 7.121 5.897 8.048 606 HB3 PHE 76 HB1 PHE 76 6.840 6.287 9.742 607 HD1 PHE 76 HD1 PHE 76 4.448 6.616 10.509 608 HD2 PHE 76 HD2 PHE 76 5.468 4.873 6.763 609 HE1 PHE 76 HE1 PHE 76 2.206 5.618 10.368 610 HE2 PHE 76 HE2 PHE 76 3.225 3.871 6.615 611 HZ PHE 76 HZ PHE 76 1.591 4.243 8.418 612 H ASP 77 HN ASP 77 7.326 10.298 8.138 613 HA ASP 77 HA ASP 77 10.119 9.521 7.708 614 HB2 ASP 77 HB2 ASP 77 10.431 11.763 6.792 615 HB3 ASP 77 HB1 ASP 77 9.076 10.962 6.002 616 H TYR 78 HN TYR 78 8.042 11.023 10.006 617 HA TYR 78 HA TYR 78 10.226 12.329 11.411 618 HB2 TYR 78 HB2 TYR 78 7.501 12.839 11.182 619 HB3 TYR 78 HB1 TYR 78 7.686 12.245 12.829 620 HD1 TYR 78 HD2 TYR 78 10.400 13.307 13.461 621 HD2 TYR 78 HD1 TYR 78 7.094 15.121 11.491 622 HE1 TYR 78 HE2 TYR 78 11.200 15.521 14.171 623 HE2 TYR 78 HE1 TYR 78 7.885 17.341 12.195 624 HH TYR 78 HH TYR 78 10.142 18.368 12.850 625 H ASP 79 HN ASP 79 9.608 9.245 11.158 626 HA ASP 79 HA ASP 79 9.313 8.497 13.933 627 HB2 ASP 79 HB2 ASP 79 8.372 7.117 12.111 628 HB3 ASP 79 HB1 ASP 79 10.004 6.785 11.538 629 HA PRO 80 HA PRO 80 13.671 8.937 14.936 630 HB2 PRO 80 HB2 PRO 80 12.921 7.007 17.073 631 HB3 PRO 80 HB1 PRO 80 13.739 8.567 17.205 632 HG2 PRO 80 HG2 PRO 80 11.192 8.306 17.932 633 HG3 PRO 80 HG1 PRO 80 11.757 9.766 17.099 634 HD2 PRO 80 HD2 PRO 80 10.191 7.455 16.028 635 HD3 PRO 80 HD1 PRO 80 10.046 9.185 15.656 636 H ASN 81 HN ASN 81 12.127 5.768 15.251 637 HA ASN 81 HA ASN 81 14.409 4.183 14.851 638 HB2 ASN 81 HB2 ASN 81 11.514 3.508 14.261 639 HB3 ASN 81 HB1 ASN 81 12.830 2.349 14.429 640 HD21 ASN 81 1HE2 ASN 81 10.476 2.306 15.946 641 HD22 ASN 81 2HE2 ASN 81 10.888 2.602 17.597 642 H GLU 82 HN GLU 82 15.232 5.582 13.133 643 HA GLU 82 HA GLU 82 14.134 5.812 10.603 644 HB2 GLU 82 HB2 GLU 82 16.803 6.200 11.791 645 HB3 GLU 82 HB1 GLU 82 16.777 5.953 10.051 646 HG2 GLU 82 HG2 GLU 82 16.210 8.061 9.749 647 HG3 GLU 82 HG1 GLU 82 14.739 7.812 10.689 648 H LYS 83 HN LYS 83 15.957 3.132 11.976 649 HA LYS 83 HA LYS 83 16.656 1.927 9.520 650 HB2 LYS 83 HB2 LYS 83 17.545 1.217 11.746 651 HB3 LYS 83 HB1 LYS 83 15.968 0.534 12.121 652 HG2 LYS 83 HG2 LYS 83 16.363 -0.781 9.883 653 HG3 LYS 83 HG1 LYS 83 18.056 -0.429 10.238 654 HD2 LYS 83 HD2 LYS 83 17.943 -2.327 11.446 655 HD3 LYS 83 HD1 LYS 83 17.198 -1.285 12.660 656 HE2 LYS 83 HE2 LYS 83 15.436 -2.477 10.589 657 HE3 LYS 83 HE1 LYS 83 16.066 -3.546 11.842 658 HZ1 LYS 83 HZ1 LYS 83 14.251 -2.827 12.933 659 HZ2 LYS 83 HZ2 LYS 83 14.127 -1.394 12.044 660 HZ3 LYS 83 HZ3 LYS 83 15.232 -1.503 13.319 661 H SER 84 HN SER 84 13.874 1.469 11.684 662 HA SER 84 HA SER 84 12.465 -0.156 9.760 663 HB2 SER 84 HB2 SER 84 11.895 0.904 12.486 664 HB3 SER 84 HB1 SER 84 10.524 0.427 11.485 665 HG SER 84 HG SER 84 11.784 -1.599 11.178 666 H LYS 85 HN LYS 85 12.767 3.208 10.344 667 HA LYS 85 HA LYS 85 10.345 4.265 9.624 668 HB2 LYS 85 HB2 LYS 85 12.178 5.607 10.449 669 HB3 LYS 85 HB1 LYS 85 13.078 5.352 8.962 670 HG2 LYS 85 HG2 LYS 85 10.980 6.439 7.846 671 HG3 LYS 85 HG1 LYS 85 10.694 7.067 9.470 672 HD2 LYS 85 HD2 LYS 85 12.172 8.682 9.087 673 HD3 LYS 85 HD1 LYS 85 13.434 7.464 8.889 674 HE2 LYS 85 HE2 LYS 85 12.550 7.234 6.487 675 HE3 LYS 85 HE1 LYS 85 11.723 8.762 6.791 676 HZ1 LYS 85 HZ1 LYS 85 14.204 9.329 7.614 677 HZ2 LYS 85 HZ2 LYS 85 13.637 9.632 6.050 678 HZ3 LYS 85 HZ3 LYS 85 14.538 8.236 6.365 679 H HIS 86 HN HIS 86 12.625 5.106 7.147 680 HA HIS 86 HA HIS 86 12.655 4.823 4.861 681 HB2 HIS 86 HB2 HIS 86 11.326 2.450 5.720 682 HB3 HIS 86 HB1 HIS 86 10.481 3.069 4.305 683 HD1 HIS 86 HD1 HIS 86 13.209 0.954 5.192 684 HD2 HIS 86 HD2 HIS 86 12.483 3.659 2.123 685 HE1 HIS 86 HE1 HIS 86 14.849 0.369 3.379 686 HE2 HIS 86 HE2 HIS 86 14.327 1.959 1.496 687 H LYS 87 HN LYS 87 11.168 5.212 2.866 688 HA LYS 87 HA LYS 87 8.698 6.651 3.532 689 HB2 LYS 87 HB2 LYS 87 10.827 7.955 1.843 690 HB3 LYS 87 HB1 LYS 87 9.314 8.660 2.384 691 HG2 LYS 87 HG2 LYS 87 10.543 7.938 4.738 692 HG3 LYS 87 HG1 LYS 87 11.881 8.493 3.731 693 HD2 LYS 87 HD2 LYS 87 9.336 10.052 4.156 694 HD3 LYS 87 HD1 LYS 87 10.797 10.276 5.121 695 HE2 LYS 87 HE2 LYS 87 12.042 10.849 3.092 696 HE3 LYS 87 HE1 LYS 87 10.581 10.622 2.131 697 HZ1 LYS 87 HZ1 LYS 87 10.648 12.893 2.476 698 HZ2 LYS 87 HZ2 LYS 87 11.202 12.756 4.068 699 HZ3 LYS 87 HZ3 LYS 87 9.595 12.380 3.698 700 H PHE 88 HN PHE 88 7.522 7.423 1.473 701 HA PHE 88 HA PHE 88 7.209 5.165 -0.245 702 HB2 PHE 88 HB2 PHE 88 5.384 6.684 0.610 703 HB3 PHE 88 HB1 PHE 88 5.902 7.849 -0.604 704 HD1 PHE 88 HD2 PHE 88 4.460 4.500 -0.087 705 HD2 PHE 88 HD1 PHE 88 5.339 7.579 -2.890 706 HE1 PHE 88 HE2 PHE 88 3.048 3.375 -1.760 707 HE2 PHE 88 HE1 PHE 88 3.929 6.461 -4.567 708 HZ PHE 88 HZ PHE 88 2.782 4.356 -4.004 709 H MET 89 HN MET 89 8.198 8.571 -1.090 710 HA MET 89 HA MET 89 8.675 7.768 -3.824 711 HB2 MET 89 HB2 MET 89 8.745 10.318 -2.352 712 HB3 MET 89 HB1 MET 89 10.097 10.175 -3.456 713 HG2 MET 89 HG2 MET 89 8.382 9.709 -5.302 714 HG3 MET 89 HG1 MET 89 7.142 10.183 -4.144 715 HE1 MET 89 HE1 MET 89 6.306 11.911 -6.082 716 HE2 MET 89 HE2 MET 89 7.587 12.521 -7.132 717 HE3 MET 89 HE3 MET 89 6.842 13.587 -5.946 718 H VAL 90 HN VAL 90 10.481 8.090 -0.882 719 HA VAL 90 HA VAL 90 13.117 7.589 -1.932 720 HB VAL 90 HB VAL 90 12.315 7.328 0.947 721 HG11 VAL 90 HG11 VAL 90 14.841 8.576 0.461 722 HG12 VAL 90 HG12 VAL 90 14.746 7.068 -0.447 723 HG13 VAL 90 HG13 VAL 90 14.488 7.065 1.297 724 HG21 VAL 90 HG21 VAL 90 11.805 9.489 1.062 725 HG22 VAL 90 HG22 VAL 90 12.060 9.654 -0.675 726 HG23 VAL 90 HG23 VAL 90 13.403 9.900 0.441 727 H GLN 91 HN GLN 91 10.528 5.530 -1.208 728 HA GLN 91 HA GLN 91 11.753 3.347 -0.033 729 HB2 GLN 91 HB2 GLN 91 9.249 3.871 -0.854 730 HB3 GLN 91 HB1 GLN 91 9.736 2.751 -2.117 731 HG2 GLN 91 HG2 GLN 91 10.356 1.114 -0.379 732 HG3 GLN 91 HG1 GLN 91 9.753 2.230 0.846 733 HE21 GLN 91 1HE2 GLN 91 7.453 3.034 0.315 734 HE22 GLN 91 2HE2 GLN 91 6.325 1.804 -0.129 735 H SER 92 HN SER 92 12.330 4.545 -3.175 736 HA SER 92 HA SER 92 12.877 2.204 -4.594 737 HB2 SER 92 HB2 SER 92 14.505 3.779 -5.871 738 HB3 SER 92 HB1 SER 92 12.776 4.127 -5.903 739 HG SER 92 HG SER 92 14.802 5.621 -4.927 740 H MET 93 HN MET 93 14.634 3.522 -1.934 741 HA MET 93 HA MET 93 17.200 2.500 -2.666 742 HB2 MET 93 HB2 MET 93 16.296 3.142 0.140 743 HB3 MET 93 HB1 MET 93 17.926 3.194 -0.516 744 HG2 MET 93 HG2 MET 93 16.227 4.976 -1.982 745 HG3 MET 93 HG1 MET 93 16.100 5.303 -0.255 746 HE1 MET 93 HE1 MET 93 19.249 5.975 1.085 747 HE2 MET 93 HE2 MET 93 17.489 6.093 1.134 748 HE3 MET 93 HE3 MET 93 18.450 7.459 0.566 749 H PHE 94 HN PHE 94 14.461 1.537 -0.719 750 HA PHE 94 HA PHE 94 15.530 -0.820 0.398 751 HB2 PHE 94 HB2 PHE 94 13.463 0.027 1.258 752 HB3 PHE 94 HB1 PHE 94 12.703 -0.029 -0.327 753 HD1 PHE 94 HD1 PHE 94 12.289 -2.294 -1.372 754 HD2 PHE 94 HD2 PHE 94 13.325 -1.785 2.723 755 HE1 PHE 94 HE1 PHE 94 11.406 -4.531 -0.876 756 HE2 PHE 94 HE2 PHE 94 12.442 -4.025 3.229 757 HZ PHE 94 HZ PHE 94 11.480 -5.402 1.427 758 H ALA 95 HN ALA 95 14.571 -0.026 -2.784 759 HA ALA 95 HA ALA 95 15.586 -2.379 -3.936 760 HB1 ALA 95 HB1 ALA 95 13.633 -3.497 -3.184 761 HB2 ALA 95 HB2 ALA 95 13.408 -3.195 -4.908 762 HB3 ALA 95 HB3 ALA 95 12.591 -2.179 -3.719 763 HA PRO 96 HA PRO 96 15.750 1.063 -6.869 764 HB2 PRO 96 HB2 PRO 96 17.171 -0.346 -8.770 765 HB3 PRO 96 HB1 PRO 96 17.893 0.534 -7.420 766 HG2 PRO 96 HG2 PRO 96 17.298 -2.383 -7.682 767 HG3 PRO 96 HG1 PRO 96 18.714 -1.586 -6.972 768 HD2 PRO 96 HD2 PRO 96 16.772 -2.617 -5.439 769 HD3 PRO 96 HD1 PRO 96 17.611 -1.118 -4.986 770 H THR 97 HN THR 97 14.498 -2.131 -7.384 771 HA THR 97 HA THR 97 13.530 -1.754 -10.025 772 HB THR 97 HB THR 97 11.894 -3.664 -9.113 773 HG1 THR 97 HG1 THR 97 12.510 -3.503 -6.965 774 HG21 THR 97 HG21 THR 97 13.168 -4.774 -10.536 775 HG22 THR 97 HG22 THR 97 14.302 -5.051 -9.213 776 HG23 THR 97 HG23 THR 97 14.516 -3.665 -10.284 777 H ASP 98 HN ASP 98 12.379 -0.773 -6.918 778 HA ASP 98 HA ASP 98 9.644 -0.597 -7.380 779 HB2 ASP 98 HB2 ASP 98 11.544 0.508 -5.461 780 HB3 ASP 98 HB1 ASP 98 10.191 1.591 -5.773 781 H THR 99 HN THR 99 12.156 1.844 -8.001 782 HA THR 99 HA THR 99 10.465 3.875 -8.895 783 HB THR 99 HB THR 99 12.582 4.469 -10.340 784 HG1 THR 99 HG1 THR 99 14.354 3.349 -9.888 785 HG21 THR 99 HG21 THR 99 12.942 5.890 -8.692 786 HG22 THR 99 HG22 THR 99 13.646 4.602 -7.715 787 HG23 THR 99 HG23 THR 99 11.913 4.923 -7.635 788 H SER 100 HN SER 100 12.030 1.253 -10.679 789 HA SER 100 HA SER 100 10.977 1.998 -13.219 790 HB2 SER 100 HB2 SER 100 11.558 -0.599 -13.588 791 HB3 SER 100 HB1 SER 100 12.793 0.658 -13.564 792 HG SER 100 HG SER 100 13.197 -1.205 -12.182 793 H ASP 101 HN ASP 101 9.746 0.236 -10.530 794 HA ASP 101 HA ASP 101 7.900 -1.454 -11.733 795 HB2 ASP 101 HB2 ASP 101 8.608 -1.174 -9.238 796 HB3 ASP 101 HB1 ASP 101 7.252 -0.052 -9.165 797 H MET 102 HN MET 102 7.662 2.000 -11.069 798 HA MET 102 HA MET 102 4.863 2.195 -11.502 799 HB2 MET 102 HB2 MET 102 7.077 4.240 -11.618 800 HB3 MET 102 HB1 MET 102 5.382 4.651 -11.839 801 HG2 MET 102 HG2 MET 102 6.040 3.095 -9.425 802 HG3 MET 102 HG1 MET 102 6.641 4.752 -9.480 803 HE1 MET 102 HE1 MET 102 3.897 6.784 -8.351 804 HE2 MET 102 HE2 MET 102 5.596 6.544 -8.760 805 HE3 MET 102 HE3 MET 102 4.903 5.728 -7.358 806 H GLU 103 HN GLU 103 7.605 3.079 -13.604 807 HA GLU 103 HA GLU 103 5.945 3.579 -15.861 808 HB2 GLU 103 HB2 GLU 103 8.708 3.866 -15.176 809 HB3 GLU 103 HB1 GLU 103 8.594 3.026 -16.718 810 HG2 GLU 103 HG2 GLU 103 7.589 4.808 -17.769 811 HG3 GLU 103 HG1 GLU 103 6.984 5.493 -16.262 812 H ALA 104 HN ALA 104 7.999 0.885 -14.885 813 HA ALA 104 HA ALA 104 7.675 -0.633 -17.233 814 HB1 ALA 104 HB1 ALA 104 8.817 -2.374 -16.095 815 HB2 ALA 104 HB2 ALA 104 8.420 -1.683 -14.520 816 HB3 ALA 104 HB3 ALA 104 9.534 -0.841 -15.599 817 H VAL 105 HN VAL 105 5.605 -0.434 -14.394 818 HA VAL 105 HA VAL 105 4.477 -2.969 -14.527 819 HB VAL 105 HB VAL 105 2.302 -1.762 -13.682 820 HG11 VAL 105 HG11 VAL 105 3.846 -1.418 -11.451 821 HG12 VAL 105 HG12 VAL 105 4.807 -2.541 -12.414 822 HG13 VAL 105 HG13 VAL 105 3.143 -2.943 -11.992 823 HG21 VAL 105 HG21 VAL 105 3.259 0.301 -12.329 824 HG22 VAL 105 HG22 VAL 105 2.559 0.490 -13.934 825 HG23 VAL 105 HG23 VAL 105 4.309 0.424 -13.735 826 H TRP 106 HN TRP 106 3.599 -0.104 -16.439 827 HA TRP 106 HA TRP 106 1.451 -1.559 -17.728 828 HB2 TRP 106 HB2 TRP 106 2.519 1.236 -17.896 829 HB3 TRP 106 HB1 TRP 106 1.519 0.619 -19.208 830 HD1 TRP 106 HD1 TRP 106 1.335 1.357 -15.428 831 HE1 TRP 106 HE1 TRP 106 -1.132 1.719 -14.795 832 HE3 TRP 106 HE3 TRP 106 -0.835 0.187 -19.909 833 HZ2 TRP 106 HZ2 TRP 106 -3.664 1.533 -16.029 834 HZ3 TRP 106 HZ3 TRP 106 -3.285 0.306 -20.098 835 HH2 TRP 106 HH2 TRP 106 -4.669 0.964 -18.196 836 H LYS 107 HN LYS 107 4.630 -0.269 -18.600 837 HA LYS 107 HA LYS 107 4.579 -1.157 -21.287 838 HB2 LYS 107 HB2 LYS 107 6.315 0.331 -19.622 839 HB3 LYS 107 HB1 LYS 107 7.263 -0.993 -20.285 840 HG2 LYS 107 HG2 LYS 107 5.592 0.331 -22.272 841 HG3 LYS 107 HG1 LYS 107 6.770 1.403 -21.514 842 HD2 LYS 107 HD2 LYS 107 8.233 -0.876 -22.008 843 HD3 LYS 107 HD1 LYS 107 7.169 -0.774 -23.412 844 HE2 LYS 107 HE2 LYS 107 8.682 0.647 -24.243 845 HE3 LYS 107 HE1 LYS 107 8.006 1.818 -23.112 846 HZ1 LYS 107 HZ1 LYS 107 9.722 0.666 -21.508 847 HZ2 LYS 107 HZ2 LYS 107 10.186 1.928 -22.535 848 HZ3 LYS 107 HZ3 LYS 107 10.516 0.325 -22.964 849 H GLU 108 HN GLU 108 6.289 -2.457 -18.435 850 HA GLU 108 HA GLU 108 7.268 -4.738 -19.776 851 HB2 GLU 108 HB2 GLU 108 8.254 -5.293 -17.800 852 HB3 GLU 108 HB1 GLU 108 7.901 -3.608 -17.460 853 HG2 GLU 108 HG2 GLU 108 5.680 -4.581 -16.480 854 HG3 GLU 108 HG1 GLU 108 6.617 -6.064 -16.390 855 H ALA 109 HN ALA 109 4.164 -4.026 -18.497 856 HA ALA 109 HA ALA 109 2.213 -5.193 -18.519 857 HB1 ALA 109 HB1 ALA 109 3.720 -7.361 -19.972 858 HB2 ALA 109 HB2 ALA 109 3.020 -5.942 -20.748 859 HB3 ALA 109 HB3 ALA 109 1.975 -7.108 -19.937 860 H LYS 110 HN LYS 110 1.247 -7.398 -17.840 861 HA LYS 110 HA LYS 110 1.873 -7.843 -15.205 862 HB2 LYS 110 HB2 LYS 110 0.278 -9.563 -15.190 863 HB3 LYS 110 HB1 LYS 110 -0.260 -8.410 -16.397 864 HG2 LYS 110 HG2 LYS 110 1.344 -10.787 -17.229 865 HG3 LYS 110 HG1 LYS 110 -0.374 -10.957 -16.877 866 HD2 LYS 110 HD2 LYS 110 0.539 -8.782 -18.704 867 HD3 LYS 110 HD1 LYS 110 0.430 -10.435 -19.309 868 HE2 LYS 110 HE2 LYS 110 -1.637 -9.330 -19.791 869 HE3 LYS 110 HE1 LYS 110 -1.925 -10.508 -18.512 870 HZ1 LYS 110 HZ1 LYS 110 -1.355 -7.679 -17.884 871 HZ2 LYS 110 HZ2 LYS 110 -2.112 -8.844 -16.920 872 HZ3 LYS 110 HZ3 LYS 110 -2.924 -8.193 -18.254 873 HA PRO 111 HA PRO 111 4.289 -11.895 -16.366 874 HB2 PRO 111 HB2 PRO 111 5.959 -11.636 -18.519 875 HB3 PRO 111 HB1 PRO 111 4.369 -12.404 -18.588 876 HG2 PRO 111 HG2 PRO 111 5.174 -9.636 -19.367 877 HG3 PRO 111 HG1 PRO 111 4.066 -10.754 -20.183 878 HD2 PRO 111 HD2 PRO 111 3.194 -8.716 -18.679 879 HD3 PRO 111 HD1 PRO 111 2.318 -10.248 -18.772 880 H GLU 112 HN GLU 112 5.896 -8.960 -17.604 881 HA GLU 112 HA GLU 112 8.290 -9.486 -16.131 882 HB2 GLU 112 HB2 GLU 112 7.300 -7.222 -17.822 883 HB3 GLU 112 HB1 GLU 112 8.710 -6.985 -16.800 884 HG2 GLU 112 HG2 GLU 112 9.412 -9.276 -17.992 885 HG3 GLU 112 HG1 GLU 112 8.387 -8.591 -19.252 886 H ASP 113 HN ASP 113 5.375 -7.618 -15.620 887 HA ASP 113 HA ASP 113 6.292 -6.020 -13.485 888 HB2 ASP 113 HB2 ASP 113 4.184 -5.638 -14.773 889 HB3 ASP 113 HB1 ASP 113 3.475 -7.018 -13.943 890 H LEU 114 HN LEU 114 5.054 -9.292 -13.635 891 HA LEU 114 HA LEU 114 4.532 -9.700 -10.914 892 HB2 LEU 114 HB2 LEU 114 3.869 -11.243 -12.737 893 HB3 LEU 114 HB1 LEU 114 5.548 -11.709 -12.926 894 HG LEU 114 HG LEU 114 5.328 -12.330 -10.369 895 HD11 LEU 114 HD11 LEU 114 3.030 -13.321 -10.014 896 HD12 LEU 114 HD12 LEU 114 2.496 -12.335 -11.374 897 HD13 LEU 114 HD13 LEU 114 3.141 -11.564 -9.926 898 HD21 LEU 114 HD21 LEU 114 5.102 -14.557 -11.002 899 HD22 LEU 114 HD22 LEU 114 5.726 -13.781 -12.459 900 HD23 LEU 114 HD23 LEU 114 4.010 -14.170 -12.332 901 H MET 115 HN MET 115 7.507 -9.756 -12.754 902 HA MET 115 HA MET 115 9.176 -11.042 -10.920 903 HB2 MET 115 HB2 MET 115 9.473 -9.528 -13.346 904 HB3 MET 115 HB1 MET 115 10.703 -9.033 -12.192 905 HG2 MET 115 HG2 MET 115 10.861 -11.713 -11.949 906 HG3 MET 115 HG1 MET 115 10.369 -11.570 -13.635 907 HE1 MET 115 HE1 MET 115 12.685 -12.822 -12.281 908 HE2 MET 115 HE2 MET 115 14.124 -11.854 -11.955 909 HE3 MET 115 HE3 MET 115 13.899 -12.594 -13.539 910 H ASP 116 HN ASP 116 8.226 -7.636 -11.171 911 HA ASP 116 HA ASP 116 9.961 -6.756 -9.084 912 HB2 ASP 116 HB2 ASP 116 7.451 -5.399 -10.088 913 HB3 ASP 116 HB1 ASP 116 8.803 -4.647 -9.247 914 H SER 117 HN SER 117 6.714 -7.999 -9.279 915 HA SER 117 HA SER 117 5.863 -7.237 -6.680 916 HB2 SER 117 HB2 SER 117 4.922 -9.542 -8.383 917 HB3 SER 117 HB1 SER 117 4.042 -8.815 -7.038 918 HG SER 117 HG SER 117 4.832 -7.355 -9.333 919 H LYS 118 HN LYS 118 7.106 -10.320 -8.000 920 HA LYS 118 HA LYS 118 7.092 -11.669 -5.512 921 HB2 LYS 118 HB2 LYS 118 8.599 -13.288 -6.624 922 HB3 LYS 118 HB1 LYS 118 7.181 -12.918 -7.594 923 HG2 LYS 118 HG2 LYS 118 8.389 -11.989 -9.244 924 HG3 LYS 118 HG1 LYS 118 9.535 -11.243 -8.129 925 HD2 LYS 118 HD2 LYS 118 10.159 -13.839 -7.779 926 HD3 LYS 118 HD1 LYS 118 9.615 -13.879 -9.457 927 HE2 LYS 118 HE2 LYS 118 11.986 -13.490 -9.417 928 HE3 LYS 118 HE1 LYS 118 11.176 -12.021 -9.959 929 HZ1 LYS 118 HZ1 LYS 118 12.744 -12.491 -7.578 930 HZ2 LYS 118 HZ2 LYS 118 11.313 -11.632 -7.307 931 HZ3 LYS 118 HZ3 LYS 118 12.450 -11.050 -8.415 932 H LEU 119 HN LEU 119 9.276 -9.525 -7.112 933 HA LEU 119 HA LEU 119 11.555 -10.040 -5.464 934 HB2 LEU 119 HB2 LEU 119 11.540 -8.996 -7.768 935 HB3 LEU 119 HB1 LEU 119 10.969 -7.523 -7.008 936 HG LEU 119 HG LEU 119 13.096 -7.756 -5.529 937 HD11 LEU 119 HD11 LEU 119 14.281 -9.075 -7.908 938 HD12 LEU 119 HD12 LEU 119 13.442 -10.090 -6.736 939 HD13 LEU 119 HD13 LEU 119 14.802 -9.094 -6.224 940 HD21 LEU 119 HD21 LEU 119 14.012 -6.141 -6.816 941 HD22 LEU 119 HD22 LEU 119 12.449 -6.231 -7.630 942 HD23 LEU 119 HD23 LEU 119 13.843 -7.076 -8.302 943 H ARG 120 HN ARG 120 9.139 -7.431 -5.539 944 HA ARG 120 HA ARG 120 10.122 -6.150 -3.190 945 HB2 ARG 120 HB2 ARG 120 8.628 -5.226 -5.142 946 HB3 ARG 120 HB1 ARG 120 7.304 -5.826 -4.156 947 HG2 ARG 120 HG2 ARG 120 7.442 -3.650 -3.454 948 HG3 ARG 120 HG1 ARG 120 8.462 -4.459 -2.263 949 HD2 ARG 120 HD2 ARG 120 9.379 -2.959 -4.713 950 HD3 ARG 120 HD1 ARG 120 9.557 -2.453 -3.036 951 HE ARG 120 HE ARG 120 11.262 -4.015 -2.756 952 HH11 ARG 120 HH11 ARG 120 9.949 -4.150 -5.993 953 HH12 ARG 120 HH12 ARG 120 11.231 -5.138 -6.599 954 HH21 ARG 120 HH21 ARG 120 12.937 -5.316 -3.555 955 HH22 ARG 120 HH22 ARG 120 12.929 -5.799 -5.216 956 H CYS 121 HN CYS 121 7.714 -8.582 -3.858 957 HA CYS 121 HA CYS 121 6.453 -8.517 -1.311 958 HB2 CYS 121 HB2 CYS 121 6.530 -10.559 -3.522 959 HB3 CYS 121 HB1 CYS 121 5.680 -10.864 -2.010 960 HG CYS 121 HG CYS 121 4.863 -8.655 -4.040 961 H VAL 122 HN VAL 122 9.137 -10.370 -2.649 962 HA VAL 122 HA VAL 122 9.426 -12.042 -0.337 963 HB VAL 122 HB VAL 122 11.305 -11.519 -2.645 964 HG11 VAL 122 HG11 VAL 122 12.847 -12.323 -1.191 965 HG12 VAL 122 HG12 VAL 122 12.147 -13.870 -1.671 966 HG13 VAL 122 HG13 VAL 122 11.638 -13.099 -0.168 967 HG21 VAL 122 HG21 VAL 122 8.969 -12.804 -2.765 968 HG22 VAL 122 HG22 VAL 122 9.986 -14.133 -2.207 969 HG23 VAL 122 HG23 VAL 122 10.375 -13.295 -3.709 970 H PHE 123 HN PHE 123 11.066 -9.151 -1.562 971 HA PHE 123 HA PHE 123 13.088 -8.997 0.360 972 HB2 PHE 123 HB2 PHE 123 12.041 -7.338 -1.731 973 HB3 PHE 123 HB1 PHE 123 12.307 -6.351 -0.298 974 HD1 PHE 123 HD1 PHE 123 14.592 -6.413 0.790 975 HD2 PHE 123 HD2 PHE 123 13.822 -7.991 -3.087 976 HE1 PHE 123 HE1 PHE 123 16.996 -6.312 0.275 977 HE2 PHE 123 HE2 PHE 123 16.224 -7.893 -3.608 978 HZ PHE 123 HZ PHE 123 17.815 -7.053 -1.926 979 H GLU 124 HN GLU 124 9.786 -7.719 0.383 980 HA GLU 124 HA GLU 124 10.024 -6.343 2.851 981 HB2 GLU 124 HB2 GLU 124 8.260 -5.927 1.118 982 HB3 GLU 124 HB1 GLU 124 7.503 -7.440 1.599 983 HG2 GLU 124 HG2 GLU 124 7.532 -6.373 3.976 984 HG3 GLU 124 HG1 GLU 124 7.694 -4.863 3.081 985 H LEU 125 HN LEU 125 8.522 -9.471 2.029 986 HA LEU 125 HA LEU 125 8.992 -10.317 4.807 987 HB2 LEU 125 HB2 LEU 125 6.506 -10.638 3.149 988 HB3 LEU 125 HB1 LEU 125 6.849 -11.700 4.501 989 HG LEU 125 HG LEU 125 6.997 -8.814 5.098 990 HD11 LEU 125 HD11 LEU 125 5.084 -8.388 3.972 991 HD12 LEU 125 HD12 LEU 125 4.357 -9.093 5.415 992 HD13 LEU 125 HD13 LEU 125 4.578 -10.077 3.968 993 HD21 LEU 125 HD21 LEU 125 7.195 -10.035 7.008 994 HD22 LEU 125 HD22 LEU 125 6.182 -11.348 6.408 995 HD23 LEU 125 HD23 LEU 125 5.441 -9.852 6.977 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -12.102 14.479 0.918 2 H2 MET 1 HT2 MET 1 -13.765 14.077 1.062 3 H3 MET 1 HT3 MET 1 -13.238 15.125 -0.191 4 HA MET 1 HA MET 1 -12.355 12.337 0.093 5 HB2 MET 1 HB2 MET 1 -14.854 12.669 -0.211 6 HB3 MET 1 HB1 MET 1 -14.483 13.414 -1.760 7 HG2 MET 1 HG2 MET 1 -13.971 11.449 -2.742 8 HG3 MET 1 HG1 MET 1 -13.301 10.757 -1.266 9 HE1 MET 1 HE1 MET 1 -15.369 8.247 -0.451 10 HE2 MET 1 HE2 MET 1 -13.947 8.740 -1.369 11 HE3 MET 1 HE3 MET 1 -15.388 8.174 -2.213 12 H ALA 2 HN ALA 2 -11.652 11.545 -2.093 13 HA ALA 2 HA ALA 2 -10.324 13.708 -3.595 14 HB1 ALA 2 HB1 ALA 2 -9.223 10.937 -3.158 15 HB2 ALA 2 HB2 ALA 2 -8.772 12.348 -2.203 16 HB3 ALA 2 HB3 ALA 2 -8.412 12.300 -3.929 17 H LYS 3 HN LYS 3 -9.490 12.740 -5.798 18 HA LYS 3 HA LYS 3 -11.755 12.170 -7.357 19 HB2 LYS 3 HB2 LYS 3 -8.920 11.580 -8.188 20 HB3 LYS 3 HB1 LYS 3 -10.278 12.028 -9.211 21 HG2 LYS 3 HG2 LYS 3 -9.379 14.069 -9.151 22 HG3 LYS 3 HG1 LYS 3 -10.127 14.177 -7.556 23 HD2 LYS 3 HD2 LYS 3 -8.149 14.055 -6.481 24 HD3 LYS 3 HD1 LYS 3 -7.495 12.868 -7.611 25 HE2 LYS 3 HE2 LYS 3 -7.799 15.307 -9.017 26 HE3 LYS 3 HE1 LYS 3 -7.015 15.677 -7.481 27 HZ1 LYS 3 HZ1 LYS 3 -5.995 13.360 -8.908 28 HZ2 LYS 3 HZ2 LYS 3 -5.162 14.562 -8.060 29 HZ3 LYS 3 HZ3 LYS 3 -5.700 14.858 -9.635 30 H VAL 4 HN VAL 4 -12.827 10.348 -6.623 31 HA VAL 4 HA VAL 4 -11.522 7.853 -6.209 32 HB VAL 4 HB VAL 4 -13.789 6.889 -6.087 33 HG11 VAL 4 HG11 VAL 4 -14.583 8.703 -4.282 34 HG12 VAL 4 HG12 VAL 4 -12.909 9.217 -4.497 35 HG13 VAL 4 HG13 VAL 4 -13.268 7.565 -3.994 36 HG21 VAL 4 HG21 VAL 4 -15.736 8.433 -6.196 37 HG22 VAL 4 HG22 VAL 4 -14.948 8.176 -7.751 38 HG23 VAL 4 HG23 VAL 4 -14.668 9.670 -6.856 39 H GLU 5 HN GLU 5 -12.714 9.465 -9.010 40 HA GLU 5 HA GLU 5 -13.309 7.236 -10.626 41 HB2 GLU 5 HB2 GLU 5 -12.493 10.065 -11.246 42 HB3 GLU 5 HB1 GLU 5 -12.784 8.890 -12.521 43 HG2 GLU 5 HG2 GLU 5 -15.052 8.681 -11.961 44 HG3 GLU 5 HG1 GLU 5 -14.826 9.480 -10.406 45 H GLN 6 HN GLN 6 -10.312 9.095 -10.185 46 HA GLN 6 HA GLN 6 -8.788 7.663 -12.091 47 HB2 GLN 6 HB2 GLN 6 -7.919 9.244 -9.659 48 HB3 GLN 6 HB1 GLN 6 -6.814 8.623 -10.873 49 HG2 GLN 6 HG2 GLN 6 -8.436 10.001 -12.477 50 HG3 GLN 6 HG1 GLN 6 -8.679 10.921 -10.993 51 HE21 GLN 6 1HE2 GLN 6 -7.598 12.785 -11.645 52 HE22 GLN 6 2HE2 GLN 6 -5.894 12.830 -11.944 53 H VAL 7 HN VAL 7 -9.101 7.347 -8.585 54 HA VAL 7 HA VAL 7 -7.362 5.060 -8.441 55 HB VAL 7 HB VAL 7 -7.861 5.075 -6.040 56 HG11 VAL 7 HG11 VAL 7 -6.323 6.802 -7.424 57 HG12 VAL 7 HG12 VAL 7 -6.409 6.758 -5.663 58 HG13 VAL 7 HG13 VAL 7 -7.369 7.931 -6.564 59 HG21 VAL 7 HG21 VAL 7 -9.627 7.440 -6.654 60 HG22 VAL 7 HG22 VAL 7 -9.280 6.764 -5.063 61 HG23 VAL 7 HG23 VAL 7 -10.211 5.831 -6.235 62 H LEU 8 HN LEU 8 -10.742 5.403 -8.963 63 HA LEU 8 HA LEU 8 -11.822 3.336 -7.505 64 HB2 LEU 8 HB2 LEU 8 -12.585 4.896 -9.797 65 HB3 LEU 8 HB1 LEU 8 -13.152 3.247 -9.969 66 HG LEU 8 HG LEU 8 -13.772 5.138 -7.703 67 HD11 LEU 8 HD11 LEU 8 -16.135 4.291 -8.687 68 HD12 LEU 8 HD12 LEU 8 -15.155 4.285 -10.154 69 HD13 LEU 8 HD13 LEU 8 -15.319 5.765 -9.209 70 HD21 LEU 8 HD21 LEU 8 -15.400 3.013 -7.325 71 HD22 LEU 8 HD22 LEU 8 -13.871 3.254 -6.481 72 HD23 LEU 8 HD23 LEU 8 -13.939 2.210 -7.900 73 H SER 9 HN SER 9 -10.494 2.984 -10.839 74 HA SER 9 HA SER 9 -10.291 0.991 -12.074 75 HB2 SER 9 HB2 SER 9 -8.466 -0.403 -10.767 76 HB3 SER 9 HB1 SER 9 -8.083 1.191 -11.415 77 HG SER 9 HG SER 9 -9.073 0.891 -8.780 78 H LEU 10 HN LEU 10 -12.689 0.633 -10.880 79 HA LEU 10 HA LEU 10 -12.752 -1.716 -9.210 80 HB2 LEU 10 HB2 LEU 10 -15.218 -1.415 -9.437 81 HB3 LEU 10 HB1 LEU 10 -14.343 -0.034 -8.791 82 HG LEU 10 HG LEU 10 -14.349 0.398 -11.528 83 HD11 LEU 10 HD11 LEU 10 -16.094 -1.440 -11.597 84 HD12 LEU 10 HD12 LEU 10 -16.553 0.100 -12.325 85 HD13 LEU 10 HD13 LEU 10 -17.159 -0.337 -10.727 86 HD21 LEU 10 HD21 LEU 10 -15.398 1.613 -9.123 87 HD22 LEU 10 HD22 LEU 10 -16.479 1.881 -10.490 88 HD23 LEU 10 HD23 LEU 10 -14.789 2.372 -10.594 89 H GLU 11 HN GLU 11 -14.048 -1.063 -12.529 90 HA GLU 11 HA GLU 11 -14.642 -3.896 -12.817 91 HB2 GLU 11 HB2 GLU 11 -15.778 -1.607 -13.865 92 HB3 GLU 11 HB1 GLU 11 -14.871 -2.245 -15.230 93 HG2 GLU 11 HG2 GLU 11 -16.696 -4.003 -13.640 94 HG3 GLU 11 HG1 GLU 11 -17.317 -2.961 -14.919 95 HA PRO 12 HA PRO 12 -10.974 -3.574 -15.769 96 HB2 PRO 12 HB2 PRO 12 -10.003 -1.198 -16.520 97 HB3 PRO 12 HB1 PRO 12 -11.523 -1.785 -17.204 98 HG2 PRO 12 HG2 PRO 12 -11.056 0.351 -15.213 99 HG3 PRO 12 HG1 PRO 12 -12.402 0.141 -16.344 100 HD2 PRO 12 HD2 PRO 12 -12.299 -0.567 -13.560 101 HD3 PRO 12 HD1 PRO 12 -13.646 -0.781 -14.694 102 H GLN 13 HN GLN 13 -10.260 -4.311 -13.558 103 HA GLN 13 HA GLN 13 -9.088 -2.532 -11.755 104 HB2 GLN 13 HB2 GLN 13 -9.055 -5.472 -12.161 105 HB3 GLN 13 HB1 GLN 13 -7.744 -4.820 -11.189 106 HG2 GLN 13 HG2 GLN 13 -9.078 -4.692 -9.438 107 HG3 GLN 13 HG1 GLN 13 -10.166 -3.623 -10.321 108 HE21 GLN 13 1HE2 GLN 13 -9.523 -6.884 -9.331 109 HE22 GLN 13 2HE2 GLN 13 -11.071 -7.533 -9.740 110 H HIS 14 HN HIS 14 -7.877 -3.816 -14.717 111 HA HIS 14 HA HIS 14 -5.607 -4.124 -15.406 112 HB2 HIS 14 HB2 HIS 14 -6.506 -1.270 -15.468 113 HB3 HIS 14 HB1 HIS 14 -5.005 -1.774 -16.226 114 HD1 HIS 14 HD1 HIS 14 -8.692 -2.707 -16.375 115 HD2 HIS 14 HD2 HIS 14 -5.316 -2.568 -18.792 116 HE1 HIS 14 HE1 HIS 14 -9.487 -3.340 -18.676 117 HE2 HIS 14 HE2 HIS 14 -7.445 -3.153 -20.139 118 H GLU 15 HN GLU 15 -4.586 -4.775 -13.391 119 HA GLU 15 HA GLU 15 -2.249 -3.382 -12.863 120 HB2 GLU 15 HB2 GLU 15 -4.501 -2.348 -11.394 121 HB3 GLU 15 HB1 GLU 15 -3.326 -3.031 -10.280 122 HG2 GLU 15 HG2 GLU 15 -1.579 -1.654 -11.452 123 HG3 GLU 15 HG1 GLU 15 -2.900 -0.849 -12.299 124 H LEU 16 HN LEU 16 -1.052 -5.150 -12.591 125 HA LEU 16 HA LEU 16 -2.043 -7.494 -11.274 126 HB2 LEU 16 HB2 LEU 16 -0.482 -7.719 -13.111 127 HB3 LEU 16 HB1 LEU 16 0.718 -6.770 -12.253 128 HG LEU 16 HG LEU 16 0.330 -8.757 -10.461 129 HD11 LEU 16 HD11 LEU 16 -1.043 -9.686 -12.693 130 HD12 LEU 16 HD12 LEU 16 -0.527 -10.627 -11.294 131 HD13 LEU 16 HD13 LEU 16 0.500 -10.540 -12.724 132 HD21 LEU 16 HD21 LEU 16 2.446 -7.876 -11.536 133 HD22 LEU 16 HD22 LEU 16 2.193 -9.081 -12.798 134 HD23 LEU 16 HD23 LEU 16 2.432 -9.592 -11.128 135 H LYS 17 HN LYS 17 0.945 -5.685 -10.585 136 HA LYS 17 HA LYS 17 1.826 -4.913 -8.620 137 HB2 LYS 17 HB2 LYS 17 -0.745 -4.559 -8.092 138 HB3 LYS 17 HB1 LYS 17 -0.467 -5.892 -6.981 139 HG2 LYS 17 HG2 LYS 17 0.690 -4.621 -5.548 140 HG3 LYS 17 HG1 LYS 17 1.543 -3.768 -6.837 141 HD2 LYS 17 HD2 LYS 17 -0.748 -2.619 -7.246 142 HD3 LYS 17 HD1 LYS 17 -1.127 -3.176 -5.615 143 HE2 LYS 17 HE2 LYS 17 1.328 -2.091 -5.234 144 HE3 LYS 17 HE1 LYS 17 0.704 -1.058 -6.519 145 HZ1 LYS 17 HZ1 LYS 17 -0.896 -1.639 -4.103 146 HZ2 LYS 17 HZ2 LYS 17 -1.064 -0.361 -5.199 147 HZ3 LYS 17 HZ3 LYS 17 0.241 -0.385 -4.122 148 H PHE 18 HN PHE 18 0.071 -7.997 -8.243 149 HA PHE 18 HA PHE 18 2.371 -9.523 -7.822 150 HB2 PHE 18 HB2 PHE 18 2.195 -10.004 -5.416 151 HB3 PHE 18 HB1 PHE 18 2.553 -8.306 -5.705 152 HD1 PHE 18 HD1 PHE 18 0.747 -6.613 -5.459 153 HD2 PHE 18 HD2 PHE 18 0.233 -10.673 -4.291 154 HE1 PHE 18 HE1 PHE 18 -1.190 -5.967 -4.085 155 HE2 PHE 18 HE2 PHE 18 -1.706 -10.035 -2.916 156 HZ PHE 18 HZ PHE 18 -2.419 -7.680 -2.811 157 H ARG 19 HN ARG 19 1.570 -11.620 -6.364 158 HA ARG 19 HA ARG 19 -0.221 -12.976 -7.999 159 HB2 ARG 19 HB2 ARG 19 1.446 -13.926 -6.309 160 HB3 ARG 19 HB1 ARG 19 0.206 -13.652 -5.094 161 HG2 ARG 19 HG2 ARG 19 -0.783 -15.089 -7.425 162 HG3 ARG 19 HG1 ARG 19 0.525 -15.928 -6.590 163 HD2 ARG 19 HD2 ARG 19 -0.747 -16.376 -4.795 164 HD3 ARG 19 HD1 ARG 19 -1.504 -14.784 -4.812 165 HE ARG 19 HE ARG 19 -3.287 -15.746 -5.836 166 HH11 ARG 19 HH11 ARG 19 -0.468 -17.670 -6.565 167 HH12 ARG 19 HH12 ARG 19 -1.357 -18.860 -7.457 168 HH21 ARG 19 HH21 ARG 19 -4.457 -17.309 -7.007 169 HH22 ARG 19 HH22 ARG 19 -3.621 -18.655 -7.707 170 H GLY 20 HN GLY 20 -2.388 -13.188 -8.083 171 HA2 GLY 20 HA2 GLY 20 -4.609 -12.969 -7.506 172 HA3 GLY 20 HA1 GLY 20 -4.101 -12.667 -5.853 173 HA PRO 21 HA PRO 21 -3.743 -8.250 -7.646 174 HB2 PRO 21 HB2 PRO 21 -4.577 -8.549 -10.471 175 HB3 PRO 21 HB1 PRO 21 -3.262 -7.603 -9.779 176 HG2 PRO 21 HG2 PRO 21 -2.819 -9.871 -11.161 177 HG3 PRO 21 HG1 PRO 21 -1.789 -9.365 -9.810 178 HD2 PRO 21 HD2 PRO 21 -3.890 -11.478 -9.909 179 HD3 PRO 21 HD1 PRO 21 -2.368 -11.434 -9.000 180 H PHE 22 HN PHE 22 -6.119 -10.240 -9.401 181 HA PHE 22 HA PHE 22 -8.245 -8.382 -9.073 182 HB2 PHE 22 HB2 PHE 22 -7.887 -10.450 -10.725 183 HB3 PHE 22 HB1 PHE 22 -8.831 -11.268 -9.485 184 HD1 PHE 22 HD1 PHE 22 -8.856 -8.680 -12.068 185 HD2 PHE 22 HD2 PHE 22 -11.147 -10.714 -9.115 186 HE1 PHE 22 HE1 PHE 22 -10.921 -7.777 -13.054 187 HE2 PHE 22 HE2 PHE 22 -13.216 -9.815 -10.094 188 HZ PHE 22 HZ PHE 22 -13.105 -8.345 -12.067 189 H THR 23 HN THR 23 -7.425 -11.432 -7.451 190 HA THR 23 HA THR 23 -9.644 -11.383 -5.693 191 HB THR 23 HB THR 23 -8.238 -13.118 -4.425 192 HG1 THR 23 HG1 THR 23 -6.207 -12.804 -5.056 193 HG21 THR 23 HG21 THR 23 -8.615 -13.785 -7.321 194 HG22 THR 23 HG22 THR 23 -9.971 -13.611 -6.207 195 HG23 THR 23 HG23 THR 23 -8.744 -14.844 -5.918 196 H ASP 24 HN ASP 24 -6.194 -10.676 -5.084 197 HA ASP 24 HA ASP 24 -6.642 -9.962 -2.378 198 HB2 ASP 24 HB2 ASP 24 -4.423 -10.564 -3.780 199 HB3 ASP 24 HB1 ASP 24 -4.284 -8.807 -3.742 200 H VAL 25 HN VAL 25 -6.059 -7.967 -5.276 201 HA VAL 25 HA VAL 25 -6.249 -5.507 -3.919 202 HB VAL 25 HB VAL 25 -5.528 -6.109 -6.423 203 HG11 VAL 25 HG11 VAL 25 -7.053 -5.375 -8.072 204 HG12 VAL 25 HG12 VAL 25 -8.166 -4.731 -6.865 205 HG13 VAL 25 HG13 VAL 25 -7.965 -6.474 -7.037 206 HG21 VAL 25 HG21 VAL 25 -6.385 -3.547 -5.161 207 HG22 VAL 25 HG22 VAL 25 -5.858 -3.557 -6.844 208 HG23 VAL 25 HG23 VAL 25 -4.767 -4.114 -5.575 209 H VAL 26 HN VAL 26 -8.780 -7.430 -5.517 210 HA VAL 26 HA VAL 26 -10.831 -5.546 -5.349 211 HB VAL 26 HB VAL 26 -10.863 -8.547 -5.426 212 HG11 VAL 26 HG11 VAL 26 -13.102 -6.749 -4.713 213 HG12 VAL 26 HG12 VAL 26 -12.828 -8.441 -4.296 214 HG13 VAL 26 HG13 VAL 26 -13.442 -8.015 -5.893 215 HG21 VAL 26 HG21 VAL 26 -11.618 -8.273 -7.629 216 HG22 VAL 26 HG22 VAL 26 -10.380 -7.033 -7.426 217 HG23 VAL 26 HG23 VAL 26 -12.087 -6.596 -7.352 218 H THR 27 HN THR 27 -9.677 -7.873 -2.953 219 HA THR 27 HA THR 27 -11.707 -7.546 -1.060 220 HB THR 27 HB THR 27 -8.771 -8.001 -0.481 221 HG1 THR 27 HG1 THR 27 -10.813 -9.840 -1.173 222 HG21 THR 27 HG21 THR 27 -11.144 -8.051 1.179 223 HG22 THR 27 HG22 THR 27 -9.440 -8.079 1.632 224 HG23 THR 27 HG23 THR 27 -10.265 -9.578 1.205 225 H THR 28 HN THR 28 -8.655 -5.801 -1.493 226 HA THR 28 HA THR 28 -9.110 -3.962 0.636 227 HB THR 28 HB THR 28 -7.345 -2.666 -0.991 228 HG1 THR 28 HG1 THR 28 -6.741 -5.389 -1.397 229 HG21 THR 28 HG21 THR 28 -5.720 -4.524 0.249 230 HG22 THR 28 HG22 THR 28 -7.139 -4.422 1.292 231 HG23 THR 28 HG23 THR 28 -6.228 -2.964 0.896 232 H ASN 29 HN ASN 29 -9.617 -3.896 -2.855 233 HA ASN 29 HA ASN 29 -10.367 -1.222 -3.129 234 HB2 ASN 29 HB2 ASN 29 -10.654 -3.686 -4.716 235 HB3 ASN 29 HB1 ASN 29 -11.864 -2.449 -5.048 236 HD21 ASN 29 1HE2 ASN 29 -10.761 -0.155 -5.083 237 HD22 ASN 29 2HE2 ASN 29 -9.389 -0.054 -6.127 238 H LEU 30 HN LEU 30 -12.238 -4.054 -2.187 239 HA LEU 30 HA LEU 30 -14.806 -2.962 -2.358 240 HB2 LEU 30 HB2 LEU 30 -14.523 -5.317 -1.983 241 HB3 LEU 30 HB1 LEU 30 -13.655 -5.031 -0.488 242 HG LEU 30 HG LEU 30 -16.065 -5.846 -0.305 243 HD11 LEU 30 HD11 LEU 30 -14.572 -4.542 1.426 244 HD12 LEU 30 HD12 LEU 30 -16.271 -4.878 1.754 245 HD13 LEU 30 HD13 LEU 30 -15.782 -3.283 1.180 246 HD21 LEU 30 HD21 LEU 30 -17.102 -4.456 -1.967 247 HD22 LEU 30 HD22 LEU 30 -16.571 -2.993 -1.137 248 HD23 LEU 30 HD23 LEU 30 -17.770 -4.045 -0.387 249 H LYS 31 HN LYS 31 -12.552 -3.058 0.377 250 HA LYS 31 HA LYS 31 -14.232 -1.201 1.866 251 HB2 LYS 31 HB2 LYS 31 -11.823 -2.865 2.542 252 HB3 LYS 31 HB1 LYS 31 -12.311 -1.539 3.588 253 HG2 LYS 31 HG2 LYS 31 -13.793 -2.851 4.569 254 HG3 LYS 31 HG1 LYS 31 -14.618 -3.086 3.027 255 HD2 LYS 31 HD2 LYS 31 -14.042 -5.244 3.858 256 HD3 LYS 31 HD1 LYS 31 -12.950 -4.892 2.518 257 HE2 LYS 31 HE2 LYS 31 -11.296 -5.436 3.913 258 HE3 LYS 31 HE1 LYS 31 -11.605 -3.890 4.703 259 HZ1 LYS 31 HZ1 LYS 31 -13.324 -5.202 6.045 260 HZ2 LYS 31 HZ2 LYS 31 -11.689 -5.426 6.421 261 HZ3 LYS 31 HZ3 LYS 31 -12.512 -6.583 5.502 262 H LEU 32 HN LEU 32 -13.501 0.173 -0.233 263 HA LEU 32 HA LEU 32 -10.945 1.457 0.109 264 HB2 LEU 32 HB2 LEU 32 -12.826 1.210 -1.974 265 HB3 LEU 32 HB1 LEU 32 -12.744 2.921 -1.605 266 HG LEU 32 HG LEU 32 -11.186 2.052 -3.421 267 HD11 LEU 32 HD11 LEU 32 -9.828 3.810 -3.047 268 HD12 LEU 32 HD12 LEU 32 -9.471 3.320 -1.390 269 HD13 LEU 32 HD13 LEU 32 -10.983 4.152 -1.758 270 HD21 LEU 32 HD21 LEU 32 -9.217 1.298 -1.376 271 HD22 LEU 32 HD22 LEU 32 -9.505 0.628 -2.982 272 HD23 LEU 32 HD23 LEU 32 -10.524 0.140 -1.629 273 H GLY 33 HN GLY 33 -11.798 1.787 2.427 274 HA2 GLY 33 HA2 GLY 33 -12.084 4.571 2.836 275 HA3 GLY 33 HA1 GLY 33 -13.640 3.789 3.071 276 H ASN 34 HN ASN 34 -13.918 2.337 4.819 277 HA ASN 34 HA ASN 34 -11.884 2.661 6.921 278 HB2 ASN 34 HB2 ASN 34 -13.744 2.101 8.494 279 HB3 ASN 34 HB1 ASN 34 -14.022 3.572 7.568 280 HD21 ASN 34 1HE2 ASN 34 -15.262 0.596 8.483 281 HD22 ASN 34 2HE2 ASN 34 -16.613 0.539 7.407 282 HA PRO 35 HA PRO 35 -11.729 -1.837 5.728 283 HB2 PRO 35 HB2 PRO 35 -9.044 -2.042 5.611 284 HB3 PRO 35 HB1 PRO 35 -10.002 -1.443 4.251 285 HG2 PRO 35 HG2 PRO 35 -8.474 0.105 6.313 286 HG3 PRO 35 HG1 PRO 35 -8.530 0.340 4.556 287 HD2 PRO 35 HD2 PRO 35 -9.994 1.840 6.274 288 HD3 PRO 35 HD1 PRO 35 -10.553 1.436 4.639 289 H THR 36 HN THR 36 -12.417 -2.615 7.694 290 HA THR 36 HA THR 36 -12.345 -3.348 9.856 291 HB THR 36 HB THR 36 -9.452 -3.948 9.671 292 HG1 THR 36 HG1 THR 36 -9.862 -5.558 8.088 293 HG21 THR 36 HG21 THR 36 -9.979 -5.926 10.652 294 HG22 THR 36 HG22 THR 36 -11.567 -6.012 9.891 295 HG23 THR 36 HG23 THR 36 -11.303 -4.930 11.257 296 H ASP 37 HN ASP 37 -11.964 -0.573 9.690 297 HA ASP 37 HA ASP 37 -9.750 0.411 11.087 298 HB2 ASP 37 HB2 ASP 37 -12.459 1.408 10.423 299 HB3 ASP 37 HB1 ASP 37 -11.655 2.199 11.776 300 H ARG 38 HN ARG 38 -12.917 -0.671 12.258 301 HA ARG 38 HA ARG 38 -13.653 -1.295 14.316 302 HB2 ARG 38 HB2 ARG 38 -10.736 -1.574 15.043 303 HB3 ARG 38 HB1 ARG 38 -12.102 -2.369 15.812 304 HG2 ARG 38 HG2 ARG 38 -11.348 -2.811 12.937 305 HG3 ARG 38 HG1 ARG 38 -10.737 -3.796 14.268 306 HD2 ARG 38 HD2 ARG 38 -13.657 -3.386 13.643 307 HD3 ARG 38 HD1 ARG 38 -12.709 -4.773 13.109 308 HE ARG 38 HE ARG 38 -12.639 -4.335 15.952 309 HH11 ARG 38 HH11 ARG 38 -14.366 -5.854 13.327 310 HH12 ARG 38 HH12 ARG 38 -15.097 -7.055 14.338 311 HH21 ARG 38 HH21 ARG 38 -13.597 -5.914 17.282 312 HH22 ARG 38 HH22 ARG 38 -14.661 -7.089 16.583 313 H ASN 39 HN ASN 39 -13.718 1.358 13.985 314 HA ASN 39 HA ASN 39 -13.768 2.374 16.586 315 HB2 ASN 39 HB2 ASN 39 -11.179 2.301 15.769 316 HB3 ASN 39 HB1 ASN 39 -11.647 3.906 15.215 317 HD21 ASN 39 1HE2 ASN 39 -9.889 4.314 16.877 318 HD22 ASN 39 2HE2 ASN 39 -10.420 4.603 18.494 319 H VAL 40 HN VAL 40 -14.520 4.561 16.691 320 HA VAL 40 HA VAL 40 -16.121 5.282 14.429 321 HB VAL 40 HB VAL 40 -16.951 5.610 16.709 322 HG11 VAL 40 HG11 VAL 40 -15.908 6.785 18.323 323 HG12 VAL 40 HG12 VAL 40 -15.321 8.012 17.199 324 HG13 VAL 40 HG13 VAL 40 -14.476 6.470 17.343 325 HG21 VAL 40 HG21 VAL 40 -17.762 7.939 16.451 326 HG22 VAL 40 HG22 VAL 40 -17.917 6.980 14.979 327 HG23 VAL 40 HG23 VAL 40 -16.614 8.158 15.130 328 H CYS 41 HN CYS 41 -14.164 5.498 13.007 329 HA CYS 41 HA CYS 41 -13.471 8.314 12.820 330 HB2 CYS 41 HB2 CYS 41 -11.687 6.859 14.146 331 HB3 CYS 41 HB1 CYS 41 -11.184 6.421 12.516 332 HG CYS 41 HG CYS 41 -9.826 8.504 13.279 333 H PHE 42 HN PHE 42 -12.514 8.869 10.735 334 HA PHE 42 HA PHE 42 -13.532 7.102 8.637 335 HB2 PHE 42 HB2 PHE 42 -13.548 9.919 9.025 336 HB3 PHE 42 HB1 PHE 42 -12.581 9.592 7.592 337 HD1 PHE 42 HD2 PHE 42 -15.902 9.197 9.125 338 HD2 PHE 42 HD1 PHE 42 -13.579 8.824 5.579 339 HE1 PHE 42 HE2 PHE 42 -17.962 8.918 7.808 340 HE2 PHE 42 HE1 PHE 42 -15.635 8.546 4.256 341 HZ PHE 42 HZ PHE 42 -17.830 8.592 5.371 342 H LYS 43 HN LYS 43 -11.243 6.153 9.772 343 HA LYS 43 HA LYS 43 -9.200 5.328 9.256 344 HB2 LYS 43 HB2 LYS 43 -8.956 4.677 7.109 345 HB3 LYS 43 HB1 LYS 43 -10.557 5.363 6.906 346 HG2 LYS 43 HG2 LYS 43 -9.131 7.556 6.420 347 HG3 LYS 43 HG1 LYS 43 -7.938 6.348 5.947 348 HD2 LYS 43 HD2 LYS 43 -10.612 5.783 4.928 349 HD3 LYS 43 HD1 LYS 43 -9.968 7.327 4.365 350 HE2 LYS 43 HE2 LYS 43 -7.807 5.847 3.958 351 HE3 LYS 43 HE1 LYS 43 -9.010 4.561 3.855 352 HZ1 LYS 43 HZ1 LYS 43 -10.113 6.434 2.304 353 HZ2 LYS 43 HZ2 LYS 43 -9.107 5.205 1.722 354 HZ3 LYS 43 HZ3 LYS 43 -8.472 6.742 2.026 355 H VAL 44 HN VAL 44 -7.073 6.242 7.736 356 HA VAL 44 HA VAL 44 -5.380 7.764 7.700 357 HB VAL 44 HB VAL 44 -7.373 9.872 8.528 358 HG11 VAL 44 HG11 VAL 44 -5.770 11.370 8.101 359 HG12 VAL 44 HG12 VAL 44 -5.278 10.553 6.619 360 HG13 VAL 44 HG13 VAL 44 -4.652 10.009 8.175 361 HG21 VAL 44 HG21 VAL 44 -8.488 9.414 6.650 362 HG22 VAL 44 HG22 VAL 44 -7.218 8.346 6.055 363 HG23 VAL 44 HG23 VAL 44 -7.100 10.086 5.797 364 H LYS 45 HN LYS 45 -6.085 6.287 10.094 365 HA LYS 45 HA LYS 45 -4.279 7.302 11.915 366 HB2 LYS 45 HB2 LYS 45 -6.688 8.795 11.985 367 HB3 LYS 45 HB1 LYS 45 -6.659 7.812 13.441 368 HG2 LYS 45 HG2 LYS 45 -4.759 8.835 14.257 369 HG3 LYS 45 HG1 LYS 45 -4.242 9.380 12.661 370 HD2 LYS 45 HD2 LYS 45 -6.589 10.690 12.877 371 HD3 LYS 45 HD1 LYS 45 -6.118 10.614 14.576 372 HE2 LYS 45 HE2 LYS 45 -3.810 11.430 13.680 373 HE3 LYS 45 HE1 LYS 45 -4.748 11.955 12.283 374 HZ1 LYS 45 HZ1 LYS 45 -4.364 13.480 14.401 375 HZ2 LYS 45 HZ2 LYS 45 -5.776 12.697 14.906 376 HZ3 LYS 45 HZ3 LYS 45 -5.767 13.573 13.459 377 H THR 46 HN THR 46 -7.606 6.146 12.457 378 HA THR 46 HA THR 46 -6.979 4.225 14.361 379 HB THR 46 HB THR 46 -9.155 3.197 13.801 380 HG1 THR 46 HG1 THR 46 -9.246 5.072 11.679 381 HG21 THR 46 HG21 THR 46 -9.232 5.166 15.196 382 HG22 THR 46 HG22 THR 46 -10.603 5.149 14.086 383 HG23 THR 46 HG23 THR 46 -9.226 6.203 13.770 384 H THR 47 HN THR 47 -7.753 3.562 10.940 385 HA THR 47 HA THR 47 -7.189 1.838 9.564 386 HB THR 47 HB THR 47 -4.598 1.156 10.529 387 HG1 THR 47 HG1 THR 47 -4.362 2.924 11.730 388 HG21 THR 47 HG21 THR 47 -5.786 2.108 8.149 389 HG22 THR 47 HG22 THR 47 -4.185 1.406 8.380 390 HG23 THR 47 HG23 THR 47 -4.414 3.148 8.528 391 H ALA 48 HN ALA 48 -6.074 -0.478 9.586 392 HA ALA 48 HA ALA 48 -7.310 -1.903 11.838 393 HB1 ALA 48 HB1 ALA 48 -6.526 -2.976 9.130 394 HB2 ALA 48 HB2 ALA 48 -8.143 -2.438 9.582 395 HB3 ALA 48 HB3 ALA 48 -7.423 -3.834 10.383 396 HA PRO 49 HA PRO 49 -3.598 -3.484 13.582 397 HB2 PRO 49 HB2 PRO 49 -4.595 -6.238 13.044 398 HB3 PRO 49 HB1 PRO 49 -4.045 -5.517 14.560 399 HG2 PRO 49 HG2 PRO 49 -6.639 -5.907 14.108 400 HG3 PRO 49 HG1 PRO 49 -6.069 -4.448 14.939 401 HD2 PRO 49 HD2 PRO 49 -7.014 -4.783 12.126 402 HD3 PRO 49 HD1 PRO 49 -7.245 -3.421 13.240 403 H ARG 50 HN ARG 50 -1.607 -4.474 13.076 404 HA ARG 50 HA ARG 50 -1.223 -5.956 10.659 405 HB2 ARG 50 HB2 ARG 50 -1.366 -3.277 10.229 406 HB3 ARG 50 HB1 ARG 50 0.354 -3.462 10.540 407 HG2 ARG 50 HG2 ARG 50 0.469 -3.882 8.346 408 HG3 ARG 50 HG1 ARG 50 -0.073 -5.498 8.805 409 HD2 ARG 50 HD2 ARG 50 -2.346 -3.787 8.556 410 HD3 ARG 50 HD1 ARG 50 -1.353 -3.634 7.107 411 HE ARG 50 HE ARG 50 -1.532 -6.325 7.536 412 HH11 ARG 50 HH11 ARG 50 -3.841 -3.742 7.118 413 HH12 ARG 50 HH12 ARG 50 -5.042 -4.764 6.399 414 HH21 ARG 50 HH21 ARG 50 -3.107 -7.669 6.589 415 HH22 ARG 50 HH22 ARG 50 -4.625 -6.993 6.099 416 H ARG 51 HN ARG 51 0.260 -7.386 11.241 417 HA ARG 51 HA ARG 51 2.167 -6.734 13.340 418 HB2 ARG 51 HB2 ARG 51 0.868 -9.120 12.401 419 HB3 ARG 51 HB1 ARG 51 2.610 -9.360 12.395 420 HG2 ARG 51 HG2 ARG 51 1.916 -10.074 14.505 421 HG3 ARG 51 HG1 ARG 51 2.578 -8.460 14.778 422 HD2 ARG 51 HD2 ARG 51 0.438 -7.505 14.986 423 HD3 ARG 51 HD1 ARG 51 -0.350 -8.921 14.292 424 HE ARG 51 HE ARG 51 -0.334 -9.903 16.359 425 HH11 ARG 51 HH11 ARG 51 1.840 -7.174 16.388 426 HH12 ARG 51 HH12 ARG 51 2.098 -7.239 18.099 427 HH21 ARG 51 HH21 ARG 51 0.003 -9.990 18.610 428 HH22 ARG 51 HH22 ARG 51 1.056 -8.838 19.361 429 H TYR 52 HN TYR 52 2.501 -8.535 10.278 430 HA TYR 52 HA TYR 52 5.149 -7.289 9.956 431 HB2 TYR 52 HB2 TYR 52 4.090 -9.907 8.872 432 HB3 TYR 52 HB1 TYR 52 5.681 -9.244 8.514 433 HD1 TYR 52 HD1 TYR 52 7.390 -9.097 10.299 434 HD2 TYR 52 HD2 TYR 52 3.639 -10.995 10.954 435 HE1 TYR 52 HE1 TYR 52 8.300 -10.193 12.303 436 HE2 TYR 52 HE2 TYR 52 4.539 -12.095 12.960 437 HH TYR 52 HH TYR 52 6.478 -11.553 14.645 438 H CYS 53 HN CYS 53 4.455 -5.427 8.903 439 HA CYS 53 HA CYS 53 4.423 -5.463 6.121 440 HB2 CYS 53 HB2 CYS 53 1.981 -6.404 6.913 441 HB3 CYS 53 HB1 CYS 53 1.643 -4.688 6.757 442 HG CYS 53 HG CYS 53 1.162 -5.600 4.416 443 H VAL 54 HN VAL 54 5.388 -3.975 8.389 444 HA VAL 54 HA VAL 54 5.633 -1.855 9.218 445 HB VAL 54 HB VAL 54 6.936 -1.642 7.266 446 HG11 VAL 54 HG11 VAL 54 5.477 -2.523 5.592 447 HG12 VAL 54 HG12 VAL 54 5.963 -0.903 5.092 448 HG13 VAL 54 HG13 VAL 54 4.362 -1.170 5.780 449 HG21 VAL 54 HG21 VAL 54 6.995 0.654 7.014 450 HG22 VAL 54 HG22 VAL 54 6.119 0.468 8.533 451 HG23 VAL 54 HG23 VAL 54 5.238 0.804 7.042 452 H ARG 55 HN ARG 55 3.587 -1.884 10.281 453 HA ARG 55 HA ARG 55 2.102 0.455 9.901 454 HB2 ARG 55 HB2 ARG 55 1.275 -0.979 7.944 455 HB3 ARG 55 HB1 ARG 55 0.481 -1.973 9.158 456 HG2 ARG 55 HG2 ARG 55 -1.052 -0.358 9.683 457 HG3 ARG 55 HG1 ARG 55 0.004 0.963 9.181 458 HD2 ARG 55 HD2 ARG 55 -1.101 1.034 7.255 459 HD3 ARG 55 HD1 ARG 55 -0.450 -0.562 6.877 460 HE ARG 55 HE ARG 55 -2.806 -0.628 8.525 461 HH11 ARG 55 HH11 ARG 55 -1.604 -0.512 5.250 462 HH12 ARG 55 HH12 ARG 55 -3.038 -1.201 4.567 463 HH21 ARG 55 HH21 ARG 55 -4.693 -1.535 7.628 464 HH22 ARG 55 HH22 ARG 55 -4.792 -1.780 5.916 465 H SER 56 HN SER 56 0.486 0.769 11.498 466 HA SER 56 HA SER 56 -0.151 0.687 13.690 467 HB2 SER 56 HB2 SER 56 -1.190 -1.621 14.265 468 HB3 SER 56 HB1 SER 56 -1.891 -0.685 12.944 469 HG SER 56 HG SER 56 -0.187 -2.934 12.801 470 H ASN 57 HN ASN 57 2.707 0.101 13.245 471 HA ASN 57 HA ASN 57 3.415 -1.991 15.078 472 HB2 ASN 57 HB2 ASN 57 4.976 0.117 13.603 473 HB3 ASN 57 HB1 ASN 57 5.743 -0.904 14.816 474 HD21 ASN 57 1HE2 ASN 57 6.557 -0.895 12.186 475 HD22 ASN 57 2HE2 ASN 57 6.178 -2.420 11.467 476 H SER 58 HN SER 58 3.085 1.512 15.246 477 HA SER 58 HA SER 58 4.228 1.664 17.893 478 HB2 SER 58 HB2 SER 58 4.237 3.514 16.106 479 HB3 SER 58 HB1 SER 58 2.570 3.817 16.594 480 HG SER 58 HG SER 58 3.266 4.733 18.354 481 H GLY 59 HN GLY 59 0.977 1.531 16.527 482 HA2 GLY 59 HA2 GLY 59 -0.307 0.340 18.577 483 HA3 GLY 59 HA1 GLY 59 -0.310 2.031 19.049 484 H ILE 60 HN ILE 60 -0.592 0.825 15.721 485 HA ILE 60 HA ILE 60 -2.252 0.918 14.201 486 HB ILE 60 HB ILE 60 -3.557 0.155 16.527 487 HG12 ILE 60 HG12 ILE 60 -4.677 0.378 13.726 488 HG13 ILE 60 HG11 ILE 60 -3.654 -0.926 14.319 489 HG21 ILE 60 HG21 ILE 60 -5.151 2.366 15.234 490 HG22 ILE 60 HG22 ILE 60 -4.454 2.402 16.854 491 HG23 ILE 60 HG23 ILE 60 -5.735 1.254 16.472 492 HD11 ILE 60 HD11 ILE 60 -5.413 -2.007 15.102 493 HD12 ILE 60 HD12 ILE 60 -6.442 -0.775 14.372 494 HD13 ILE 60 HD13 ILE 60 -5.912 -0.604 16.046 495 H ILE 61 HN ILE 61 -2.711 3.355 16.762 496 HA ILE 61 HA ILE 61 -3.760 5.255 14.873 497 HB ILE 61 HB ILE 61 -3.577 5.002 17.778 498 HG12 ILE 61 HG12 ILE 61 -5.659 4.821 16.447 499 HG13 ILE 61 HG11 ILE 61 -5.757 6.065 17.690 500 HG21 ILE 61 HG21 ILE 61 -3.773 7.450 18.197 501 HG22 ILE 61 HG22 ILE 61 -3.266 7.727 16.530 502 HG23 ILE 61 HG23 ILE 61 -2.174 6.932 17.666 503 HD11 ILE 61 HD11 ILE 61 -4.896 6.899 14.984 504 HD12 ILE 61 HD12 ILE 61 -5.867 7.754 16.182 505 HD13 ILE 61 HD13 ILE 61 -6.590 6.468 15.217 506 H ASP 62 HN ASP 62 -0.713 4.733 16.563 507 HA ASP 62 HA ASP 62 0.328 7.280 15.658 508 HB2 ASP 62 HB2 ASP 62 1.257 5.099 17.438 509 HB3 ASP 62 HB1 ASP 62 2.514 6.003 16.598 510 H ALA 63 HN ALA 63 0.516 3.901 14.791 511 HA ALA 63 HA ALA 63 2.556 4.399 12.779 512 HB1 ALA 63 HB1 ALA 63 1.861 1.875 12.284 513 HB2 ALA 63 HB2 ALA 63 1.297 1.998 13.950 514 HB3 ALA 63 HB3 ALA 63 2.985 2.328 13.560 515 H GLY 64 HN GLY 64 -0.898 3.864 12.977 516 HA2 GLY 64 HA2 GLY 64 -1.188 3.648 10.098 517 HA3 GLY 64 HA1 GLY 64 -2.484 3.618 11.285 518 H ALA 65 HN ALA 65 0.042 6.012 10.540 519 HA ALA 65 HA ALA 65 -1.873 8.152 10.744 520 HB1 ALA 65 HB1 ALA 65 0.167 8.799 11.598 521 HB2 ALA 65 HB2 ALA 65 0.228 9.492 9.978 522 HB3 ALA 65 HB3 ALA 65 1.079 7.986 10.325 523 H SER 66 HN SER 66 0.179 6.807 8.156 524 HA SER 66 HA SER 66 -1.792 7.211 6.160 525 HB2 SER 66 HB2 SER 66 0.298 8.973 5.255 526 HB3 SER 66 HB1 SER 66 -1.427 9.285 5.419 527 HG SER 66 HG SER 66 -1.110 10.123 7.373 528 H ILE 67 HN ILE 67 -0.920 4.909 6.028 529 HA ILE 67 HA ILE 67 1.742 4.517 5.068 530 HB ILE 67 HB ILE 67 0.459 2.816 6.362 531 HG12 ILE 67 HG12 ILE 67 2.468 2.325 4.881 532 HG13 ILE 67 HG11 ILE 67 1.444 0.952 5.278 533 HG21 ILE 67 HG21 ILE 67 -1.692 3.134 5.188 534 HG22 ILE 67 HG22 ILE 67 -1.199 1.445 5.288 535 HG23 ILE 67 HG23 ILE 67 -1.007 2.330 3.776 536 HD11 ILE 67 HD11 ILE 67 0.408 1.951 2.897 537 HD12 ILE 67 HD12 ILE 67 1.386 0.501 3.113 538 HD13 ILE 67 HD13 ILE 67 2.160 2.034 2.712 539 H ASN 68 HN ASN 68 -1.414 4.867 3.562 540 HA ASN 68 HA ASN 68 -0.487 5.733 1.109 541 HB2 ASN 68 HB2 ASN 68 0.119 3.058 1.272 542 HB3 ASN 68 HB1 ASN 68 -1.435 3.027 0.447 543 HD21 ASN 68 1HE2 ASN 68 -0.840 2.547 -1.602 544 HD22 ASN 68 2HE2 ASN 68 0.238 3.502 -2.556 545 H VAL 69 HN VAL 69 -2.964 3.980 2.857 546 HA VAL 69 HA VAL 69 -5.041 4.633 0.966 547 HB VAL 69 HB VAL 69 -5.138 2.552 2.275 548 HG11 VAL 69 HG11 VAL 69 -4.174 3.222 4.353 549 HG12 VAL 69 HG12 VAL 69 -5.829 2.703 4.673 550 HG13 VAL 69 HG13 VAL 69 -5.439 4.423 4.617 551 HG21 VAL 69 HG21 VAL 69 -7.543 3.284 3.348 552 HG22 VAL 69 HG22 VAL 69 -7.273 2.847 1.660 553 HG23 VAL 69 HG23 VAL 69 -7.277 4.543 2.143 554 H SER 70 HN SER 70 -3.845 5.916 4.007 555 HA SER 70 HA SER 70 -6.020 7.562 4.662 556 HB2 SER 70 HB2 SER 70 -3.131 8.237 5.220 557 HB3 SER 70 HB1 SER 70 -4.550 8.677 6.168 558 HG SER 70 HG SER 70 -3.565 6.951 7.171 559 H VAL 71 HN VAL 71 -3.355 7.996 2.446 560 HA VAL 71 HA VAL 71 -2.723 9.720 1.081 561 HB VAL 71 HB VAL 71 -4.594 10.615 -0.323 562 HG11 VAL 71 HG11 VAL 71 -3.663 8.767 -1.295 563 HG12 VAL 71 HG12 VAL 71 -5.308 8.183 -1.047 564 HG13 VAL 71 HG13 VAL 71 -4.030 7.722 0.077 565 HG21 VAL 71 HG21 VAL 71 -6.824 9.771 -0.042 566 HG22 VAL 71 HG22 VAL 71 -6.319 10.532 1.466 567 HG23 VAL 71 HG23 VAL 71 -6.324 8.774 1.323 568 H MET 72 HN MET 72 -2.279 10.833 3.302 569 HA MET 72 HA MET 72 -3.806 13.348 3.413 570 HB2 MET 72 HB2 MET 72 -3.081 11.529 5.458 571 HB3 MET 72 HB1 MET 72 -2.131 12.985 5.715 572 HG2 MET 72 HG2 MET 72 -4.245 13.014 6.944 573 HG3 MET 72 HG1 MET 72 -4.130 14.330 5.777 574 HE1 MET 72 HE1 MET 72 -5.268 14.743 3.982 575 HE2 MET 72 HE2 MET 72 -6.923 14.753 4.592 576 HE3 MET 72 HE3 MET 72 -6.518 13.810 3.159 577 H LEU 73 HN LEU 73 -1.990 14.825 4.931 578 HA LEU 73 HA LEU 73 -0.171 15.657 2.880 579 HB2 LEU 73 HB2 LEU 73 -1.448 17.035 4.726 580 HB3 LEU 73 HB1 LEU 73 -0.013 16.693 5.672 581 HG LEU 73 HG LEU 73 1.099 17.615 3.363 582 HD11 LEU 73 HD11 LEU 73 -1.578 18.922 3.707 583 HD12 LEU 73 HD12 LEU 73 -0.836 18.281 2.240 584 HD13 LEU 73 HD13 LEU 73 -0.222 19.769 2.961 585 HD21 LEU 73 HD21 LEU 73 1.486 18.247 5.791 586 HD22 LEU 73 HD22 LEU 73 0.217 19.452 5.572 587 HD23 LEU 73 HD23 LEU 73 1.685 19.532 4.600 588 H GLN 74 HN GLN 74 0.037 13.232 5.144 589 HA GLN 74 HA GLN 74 2.972 13.310 5.033 590 HB2 GLN 74 HB2 GLN 74 1.214 13.062 7.421 591 HB3 GLN 74 HB1 GLN 74 2.673 12.082 7.384 592 HG2 GLN 74 HG2 GLN 74 4.018 14.095 7.060 593 HG3 GLN 74 HG1 GLN 74 2.554 15.077 7.105 594 HE21 GLN 74 1HE2 GLN 74 1.622 15.556 9.036 595 HE22 GLN 74 2HE2 GLN 74 2.310 15.137 10.564 596 HA PRO 75 HA PRO 75 1.253 9.226 3.587 597 HB2 PRO 75 HB2 PRO 75 2.937 9.602 1.240 598 HB3 PRO 75 HB1 PRO 75 1.188 9.387 1.330 599 HG2 PRO 75 HG2 PRO 75 2.351 11.728 0.603 600 HG3 PRO 75 HG1 PRO 75 0.785 11.643 1.429 601 HD2 PRO 75 HD2 PRO 75 3.493 12.252 2.560 602 HD3 PRO 75 HD1 PRO 75 1.929 13.023 2.903 603 H PHE 76 HN PHE 76 3.078 9.240 5.541 604 HA PHE 76 HA PHE 76 4.721 7.050 4.957 605 HB2 PHE 76 HB2 PHE 76 6.962 8.198 5.248 606 HB3 PHE 76 HB1 PHE 76 6.161 8.455 3.703 607 HD1 PHE 76 HD2 PHE 76 5.103 10.631 3.207 608 HD2 PHE 76 HD1 PHE 76 7.392 9.996 6.739 609 HE1 PHE 76 HE2 PHE 76 5.298 13.063 3.512 610 HE2 PHE 76 HE1 PHE 76 7.592 12.429 7.050 611 HZ PHE 76 HZ PHE 76 6.544 13.965 5.435 612 H ASP 77 HN ASP 77 4.831 9.997 6.980 613 HA ASP 77 HA ASP 77 5.224 10.261 9.220 614 HB2 ASP 77 HB2 ASP 77 3.420 7.866 9.535 615 HB3 ASP 77 HB1 ASP 77 3.571 9.261 10.599 616 H TYR 78 HN TYR 78 7.475 9.355 8.673 617 HA TYR 78 HA TYR 78 7.928 6.846 10.146 618 HB2 TYR 78 HB2 TYR 78 10.180 6.910 8.919 619 HB3 TYR 78 HB1 TYR 78 8.748 6.532 7.969 620 HD1 TYR 78 HD2 TYR 78 10.542 9.635 9.063 621 HD2 TYR 78 HD1 TYR 78 8.713 7.486 5.880 622 HE1 TYR 78 HE2 TYR 78 11.086 11.470 7.521 623 HE2 TYR 78 HE1 TYR 78 9.253 9.315 4.327 624 HH TYR 78 HH TYR 78 11.385 11.861 5.157 625 H ASP 79 HN ASP 79 7.836 9.883 10.977 626 HA ASP 79 HA ASP 79 10.323 10.719 11.821 627 HB2 ASP 79 HB2 ASP 79 7.553 11.273 12.622 628 HB3 ASP 79 HB1 ASP 79 8.738 11.563 13.891 629 HA PRO 80 HA PRO 80 10.188 8.422 15.959 630 HB2 PRO 80 HB2 PRO 80 7.972 7.194 16.847 631 HB3 PRO 80 HB1 PRO 80 8.191 8.940 17.022 632 HG2 PRO 80 HG2 PRO 80 6.605 7.426 14.981 633 HG3 PRO 80 HG1 PRO 80 6.162 8.889 15.882 634 HD2 PRO 80 HD2 PRO 80 7.096 8.924 13.318 635 HD3 PRO 80 HD1 PRO 80 7.317 10.264 14.459 636 H ASN 81 HN ASN 81 11.370 7.153 14.236 637 HA ASN 81 HA ASN 81 11.274 4.434 14.673 638 HB2 ASN 81 HB2 ASN 81 9.241 5.292 12.758 639 HB3 ASN 81 HB1 ASN 81 10.305 4.051 12.108 640 HD21 ASN 81 1HE2 ASN 81 7.883 3.227 12.261 641 HD22 ASN 81 2HE2 ASN 81 7.583 2.219 13.631 642 H GLU 82 HN GLU 82 13.291 6.000 14.465 643 HA GLU 82 HA GLU 82 14.453 6.222 11.869 644 HB2 GLU 82 HB2 GLU 82 15.329 6.807 14.655 645 HB3 GLU 82 HB1 GLU 82 16.577 6.616 13.431 646 HG2 GLU 82 HG2 GLU 82 15.639 8.395 12.121 647 HG3 GLU 82 HG1 GLU 82 14.263 8.526 13.215 648 H LYS 83 HN LYS 83 14.689 3.857 14.481 649 HA LYS 83 HA LYS 83 16.981 2.506 13.543 650 HB2 LYS 83 HB2 LYS 83 14.827 1.983 15.451 651 HB3 LYS 83 HB1 LYS 83 15.359 0.524 14.630 652 HG2 LYS 83 HG2 LYS 83 17.738 1.648 15.290 653 HG3 LYS 83 HG1 LYS 83 16.721 2.164 16.637 654 HD2 LYS 83 HD2 LYS 83 17.060 0.154 17.539 655 HD3 LYS 83 HD1 LYS 83 16.067 -0.515 16.243 656 HE2 LYS 83 HE2 LYS 83 18.438 -0.283 14.973 657 HE3 LYS 83 HE1 LYS 83 18.991 -0.572 16.622 658 HZ1 LYS 83 HZ1 LYS 83 17.645 -2.361 14.781 659 HZ2 LYS 83 HZ2 LYS 83 17.103 -2.439 16.381 660 HZ3 LYS 83 HZ3 LYS 83 18.735 -2.709 16.028 661 H SER 84 HN SER 84 13.540 2.031 12.984 662 HA SER 84 HA SER 84 13.736 -0.055 11.101 663 HB2 SER 84 HB2 SER 84 11.604 2.063 11.397 664 HB3 SER 84 HB1 SER 84 11.443 0.599 10.426 665 HG SER 84 HG SER 84 10.540 0.435 12.564 666 H LYS 85 HN LYS 85 14.381 3.300 10.829 667 HA LYS 85 HA LYS 85 14.719 4.703 9.025 668 HB2 LYS 85 HB2 LYS 85 16.841 3.693 9.292 669 HB3 LYS 85 HB1 LYS 85 16.355 2.252 8.413 670 HG2 LYS 85 HG2 LYS 85 17.053 3.145 6.511 671 HG3 LYS 85 HG1 LYS 85 15.990 4.535 6.736 672 HD2 LYS 85 HD2 LYS 85 17.659 5.734 7.916 673 HD3 LYS 85 HD1 LYS 85 18.667 4.297 8.091 674 HE2 LYS 85 HE2 LYS 85 18.051 4.945 5.314 675 HE3 LYS 85 HE1 LYS 85 18.927 6.228 6.148 676 HZ1 LYS 85 HZ1 LYS 85 19.809 3.564 5.398 677 HZ2 LYS 85 HZ2 LYS 85 20.319 4.098 6.919 678 HZ3 LYS 85 HZ3 LYS 85 20.693 5.000 5.539 679 H HIS 86 HN HIS 86 12.730 4.922 7.960 680 HA HIS 86 HA HIS 86 12.449 3.281 5.503 681 HB2 HIS 86 HB2 HIS 86 10.690 3.288 7.673 682 HB3 HIS 86 HB1 HIS 86 9.880 4.231 6.426 683 HD1 HIS 86 HD1 HIS 86 10.791 0.787 7.366 684 HD2 HIS 86 HD2 HIS 86 9.377 2.774 4.002 685 HE1 HIS 86 HE1 HIS 86 9.945 -1.013 5.828 686 HE2 HIS 86 HE2 HIS 86 9.169 0.207 3.765 687 H LYS 87 HN LYS 87 10.875 4.244 3.854 688 HA LYS 87 HA LYS 87 10.161 6.926 3.702 689 HB2 LYS 87 HB2 LYS 87 12.979 6.388 2.989 690 HB3 LYS 87 HB1 LYS 87 12.086 7.396 1.859 691 HG2 LYS 87 HG2 LYS 87 11.589 8.265 4.545 692 HG3 LYS 87 HG1 LYS 87 13.324 8.172 4.246 693 HD2 LYS 87 HD2 LYS 87 11.933 9.359 2.004 694 HD3 LYS 87 HD1 LYS 87 11.597 10.230 3.501 695 HE2 LYS 87 HE2 LYS 87 14.413 9.477 3.026 696 HE3 LYS 87 HE1 LYS 87 13.742 10.705 1.952 697 HZ1 LYS 87 HZ1 LYS 87 14.693 11.813 3.799 698 HZ2 LYS 87 HZ2 LYS 87 13.916 10.802 4.911 699 HZ3 LYS 87 HZ3 LYS 87 13.014 11.904 3.998 700 H PHE 88 HN PHE 88 8.802 7.218 1.866 701 HA PHE 88 HA PHE 88 8.277 4.946 0.244 702 HB2 PHE 88 HB2 PHE 88 6.859 7.151 1.073 703 HB3 PHE 88 HB1 PHE 88 7.022 7.411 -0.661 704 HD1 PHE 88 HD1 PHE 88 6.253 5.600 -2.229 705 HD2 PHE 88 HD2 PHE 88 5.344 5.586 1.928 706 HE1 PHE 88 HE1 PHE 88 4.418 4.013 -2.641 707 HE2 PHE 88 HE2 PHE 88 3.507 4.000 1.524 708 HZ PHE 88 HZ PHE 88 3.042 3.210 -0.763 709 H MET 89 HN MET 89 9.492 8.241 -0.825 710 HA MET 89 HA MET 89 9.707 7.309 -3.538 711 HB2 MET 89 HB2 MET 89 10.210 9.853 -2.166 712 HB3 MET 89 HB1 MET 89 11.490 9.499 -3.308 713 HG2 MET 89 HG2 MET 89 9.674 9.236 -5.089 714 HG3 MET 89 HG1 MET 89 8.536 9.873 -3.908 715 HE1 MET 89 HE1 MET 89 9.207 12.109 -6.960 716 HE2 MET 89 HE2 MET 89 8.588 13.250 -5.775 717 HE3 MET 89 HE3 MET 89 7.877 11.644 -5.895 718 H VAL 90 HN VAL 90 11.676 7.272 -0.722 719 HA VAL 90 HA VAL 90 14.189 6.478 -1.881 720 HB VAL 90 HB VAL 90 13.392 6.202 0.998 721 HG11 VAL 90 HG11 VAL 90 15.431 5.233 0.943 722 HG12 VAL 90 HG12 VAL 90 15.982 6.908 0.995 723 HG13 VAL 90 HG13 VAL 90 15.901 6.053 -0.546 724 HG21 VAL 90 HG21 VAL 90 12.874 8.468 0.375 725 HG22 VAL 90 HG22 VAL 90 14.426 8.639 -0.446 726 HG23 VAL 90 HG23 VAL 90 14.370 8.465 1.309 727 H GLN 91 HN GLN 91 11.371 4.738 -1.211 728 HA GLN 91 HA GLN 91 12.303 2.375 -0.155 729 HB2 GLN 91 HB2 GLN 91 9.930 3.264 -1.539 730 HB3 GLN 91 HB1 GLN 91 10.314 1.600 -1.957 731 HG2 GLN 91 HG2 GLN 91 10.432 1.085 0.472 732 HG3 GLN 91 HG1 GLN 91 9.869 2.723 0.797 733 HE21 GLN 91 1HE2 GLN 91 7.952 2.172 1.724 734 HE22 GLN 91 2HE2 GLN 91 6.657 1.414 0.868 735 H SER 92 HN SER 92 13.048 3.594 -3.258 736 HA SER 92 HA SER 92 13.283 1.240 -4.748 737 HB2 SER 92 HB2 SER 92 14.994 2.576 -6.076 738 HB3 SER 92 HB1 SER 92 13.392 3.295 -5.914 739 HG SER 92 HG SER 92 15.733 3.952 -4.454 740 H MET 93 HN MET 93 15.246 2.256 -2.081 741 HA MET 93 HA MET 93 17.641 0.931 -2.885 742 HB2 MET 93 HB2 MET 93 17.442 2.849 -1.200 743 HB3 MET 93 HB1 MET 93 16.852 1.646 -0.063 744 HG2 MET 93 HG2 MET 93 19.003 1.463 0.503 745 HG3 MET 93 HG1 MET 93 19.111 0.447 -0.933 746 HE1 MET 93 HE1 MET 93 19.778 1.741 -3.487 747 HE2 MET 93 HE2 MET 93 20.013 3.488 -3.483 748 HE3 MET 93 HE3 MET 93 18.463 2.807 -2.992 749 H PHE 94 HN PHE 94 14.919 0.275 -0.765 750 HA PHE 94 HA PHE 94 15.881 -2.380 -0.090 751 HB2 PHE 94 HB2 PHE 94 13.018 -1.700 0.349 752 HB3 PHE 94 HB1 PHE 94 14.154 -2.521 1.412 753 HD1 PHE 94 HD1 PHE 94 13.202 0.775 0.074 754 HD2 PHE 94 HD2 PHE 94 15.254 -1.349 3.127 755 HE1 PHE 94 HE1 PHE 94 13.497 2.865 1.311 756 HE2 PHE 94 HE2 PHE 94 15.553 0.745 4.389 757 HZ PHE 94 HZ PHE 94 14.673 2.861 3.481 758 H ALA 95 HN ALA 95 14.633 -1.156 -2.840 759 HA ALA 95 HA ALA 95 14.245 -3.604 -4.119 760 HB1 ALA 95 HB1 ALA 95 12.211 -3.785 -2.801 761 HB2 ALA 95 HB2 ALA 95 11.816 -3.557 -4.505 762 HB3 ALA 95 HB3 ALA 95 11.674 -2.207 -3.378 763 HA PRO 96 HA PRO 96 15.148 0.189 -6.677 764 HB2 PRO 96 HB2 PRO 96 16.450 -1.996 -8.228 765 HB3 PRO 96 HB1 PRO 96 17.052 -0.383 -7.828 766 HG2 PRO 96 HG2 PRO 96 17.969 -2.525 -6.546 767 HG3 PRO 96 HG1 PRO 96 17.677 -1.004 -5.682 768 HD2 PRO 96 HD2 PRO 96 16.054 -3.512 -5.713 769 HD3 PRO 96 HD1 PRO 96 16.367 -2.385 -4.377 770 H THR 97 HN THR 97 14.135 -3.050 -7.746 771 HA THR 97 HA THR 97 13.097 -2.211 -10.232 772 HB THR 97 HB THR 97 13.636 -4.536 -9.859 773 HG1 THR 97 HG1 THR 97 11.838 -3.965 -11.264 774 HG21 THR 97 HG21 THR 97 13.036 -4.675 -7.466 775 HG22 THR 97 HG22 THR 97 12.395 -5.998 -8.436 776 HG23 THR 97 HG23 THR 97 11.334 -4.684 -7.930 777 H ASP 98 HN ASP 98 11.849 -2.020 -7.023 778 HA ASP 98 HA ASP 98 9.102 -2.006 -7.532 779 HB2 ASP 98 HB2 ASP 98 10.305 -2.043 -5.273 780 HB3 ASP 98 HB1 ASP 98 10.424 -0.294 -5.434 781 H THR 99 HN THR 99 11.440 0.663 -7.531 782 HA THR 99 HA THR 99 9.636 2.749 -7.974 783 HB THR 99 HB THR 99 11.946 3.446 -9.388 784 HG1 THR 99 HG1 THR 99 13.045 1.634 -8.762 785 HG21 THR 99 HG21 THR 99 10.934 4.911 -7.788 786 HG22 THR 99 HG22 THR 99 12.613 4.626 -7.327 787 HG23 THR 99 HG23 THR 99 11.311 3.800 -6.471 788 H SER 100 HN SER 100 11.357 0.682 -10.266 789 HA SER 100 HA SER 100 10.310 1.925 -12.601 790 HB2 SER 100 HB2 SER 100 11.019 -0.452 -13.562 791 HB3 SER 100 HB1 SER 100 12.224 0.756 -13.117 792 HG SER 100 HG SER 100 12.904 -0.989 -12.052 793 H ASP 101 HN ASP 101 9.105 -0.427 -10.395 794 HA ASP 101 HA ASP 101 7.353 -1.878 -11.985 795 HB2 ASP 101 HB2 ASP 101 7.954 -2.312 -9.572 796 HB3 ASP 101 HB1 ASP 101 6.808 -1.048 -9.134 797 H MET 102 HN MET 102 7.096 1.418 -10.889 798 HA MET 102 HA MET 102 4.271 1.650 -11.116 799 HB2 MET 102 HB2 MET 102 6.564 3.556 -10.955 800 HB3 MET 102 HB1 MET 102 5.014 4.174 -11.508 801 HG2 MET 102 HG2 MET 102 4.180 4.202 -9.450 802 HG3 MET 102 HG1 MET 102 4.752 2.571 -9.108 803 HE1 MET 102 HE1 MET 102 6.103 6.331 -7.309 804 HE2 MET 102 HE2 MET 102 4.745 6.016 -8.388 805 HE3 MET 102 HE3 MET 102 6.301 6.518 -9.051 806 H GLU 103 HN GLU 103 6.883 2.743 -13.274 807 HA GLU 103 HA GLU 103 5.123 3.394 -15.414 808 HB2 GLU 103 HB2 GLU 103 8.090 3.230 -15.081 809 HB3 GLU 103 HB1 GLU 103 7.408 3.378 -16.694 810 HG2 GLU 103 HG2 GLU 103 7.044 5.293 -14.404 811 HG3 GLU 103 HG1 GLU 103 8.002 5.550 -15.862 812 H ALA 104 HN ALA 104 7.520 0.816 -15.019 813 HA ALA 104 HA ALA 104 7.133 -0.485 -17.419 814 HB1 ALA 104 HB1 ALA 104 9.036 -0.879 -15.984 815 HB2 ALA 104 HB2 ALA 104 8.235 -2.398 -16.387 816 HB3 ALA 104 HB3 ALA 104 7.999 -1.671 -14.797 817 H VAL 105 HN VAL 105 5.279 -0.964 -14.418 818 HA VAL 105 HA VAL 105 4.147 -3.401 -15.109 819 HB VAL 105 HB VAL 105 3.910 -2.497 -12.868 820 HG11 VAL 105 HG11 VAL 105 1.853 -0.586 -13.955 821 HG12 VAL 105 HG12 VAL 105 3.505 -0.135 -13.526 822 HG13 VAL 105 HG13 VAL 105 2.407 -0.738 -12.289 823 HG21 VAL 105 HG21 VAL 105 1.872 -3.775 -14.370 824 HG22 VAL 105 HG22 VAL 105 1.098 -2.683 -13.222 825 HG23 VAL 105 HG23 VAL 105 2.223 -3.914 -12.647 826 H TRP 106 HN TRP 106 3.312 -0.214 -16.308 827 HA TRP 106 HA TRP 106 0.845 -1.180 -17.480 828 HB2 TRP 106 HB2 TRP 106 2.027 1.404 -16.928 829 HB3 TRP 106 HB1 TRP 106 1.435 1.330 -18.583 830 HD1 TRP 106 HD1 TRP 106 0.261 1.617 -15.019 831 HE1 TRP 106 HE1 TRP 106 -2.303 1.840 -14.974 832 HE3 TRP 106 HE3 TRP 106 -0.738 0.501 -19.907 833 HZ2 TRP 106 HZ2 TRP 106 -4.463 1.578 -16.773 834 HZ3 TRP 106 HZ3 TRP 106 -3.078 0.508 -20.665 835 HH2 TRP 106 HH2 TRP 106 -4.901 1.036 -19.129 836 H LYS 107 HN LYS 107 3.967 0.026 -18.691 837 HA LYS 107 HA LYS 107 3.282 -0.664 -21.408 838 HB2 LYS 107 HB2 LYS 107 4.602 1.343 -20.911 839 HB3 LYS 107 HB1 LYS 107 5.879 0.341 -20.237 840 HG2 LYS 107 HG2 LYS 107 5.580 -0.742 -22.720 841 HG3 LYS 107 HG1 LYS 107 5.245 0.963 -23.021 842 HD2 LYS 107 HD2 LYS 107 7.512 0.747 -21.292 843 HD3 LYS 107 HD1 LYS 107 7.754 -0.297 -22.693 844 HE2 LYS 107 HE2 LYS 107 8.491 1.577 -23.685 845 HE3 LYS 107 HE1 LYS 107 6.777 1.946 -23.868 846 HZ1 LYS 107 HZ1 LYS 107 6.831 3.474 -22.191 847 HZ2 LYS 107 HZ2 LYS 107 8.404 3.655 -22.787 848 HZ3 LYS 107 HZ3 LYS 107 8.130 2.741 -21.391 849 H GLU 108 HN GLU 108 5.594 -1.850 -18.980 850 HA GLU 108 HA GLU 108 6.722 -3.814 -20.688 851 HB2 GLU 108 HB2 GLU 108 7.196 -2.836 -18.082 852 HB3 GLU 108 HB1 GLU 108 6.960 -4.571 -17.932 853 HG2 GLU 108 HG2 GLU 108 9.141 -4.672 -18.401 854 HG3 GLU 108 HG1 GLU 108 8.615 -4.459 -20.069 855 H ALA 109 HN ALA 109 3.677 -3.676 -19.329 856 HA ALA 109 HA ALA 109 1.957 -5.169 -19.408 857 HB1 ALA 109 HB1 ALA 109 2.121 -7.192 -20.548 858 HB2 ALA 109 HB2 ALA 109 3.828 -7.389 -20.152 859 HB3 ALA 109 HB3 ALA 109 3.330 -6.174 -21.331 860 H LYS 110 HN LYS 110 1.094 -7.000 -18.174 861 HA LYS 110 HA LYS 110 1.805 -6.934 -15.512 862 HB2 LYS 110 HB2 LYS 110 -0.365 -7.662 -16.163 863 HB3 LYS 110 HB1 LYS 110 0.287 -9.020 -17.065 864 HG2 LYS 110 HG2 LYS 110 0.792 -8.817 -14.134 865 HG3 LYS 110 HG1 LYS 110 -0.771 -9.386 -14.719 866 HD2 LYS 110 HD2 LYS 110 1.220 -10.735 -16.207 867 HD3 LYS 110 HD1 LYS 110 1.701 -10.808 -14.511 868 HE2 LYS 110 HE2 LYS 110 0.279 -12.508 -14.293 869 HE3 LYS 110 HE1 LYS 110 -1.024 -11.334 -14.473 870 HZ1 LYS 110 HZ1 LYS 110 -0.454 -11.768 -17.014 871 HZ2 LYS 110 HZ2 LYS 110 -1.570 -12.710 -16.160 872 HZ3 LYS 110 HZ3 LYS 110 0.010 -13.271 -16.388 873 HA PRO 111 HA PRO 111 4.005 -11.326 -16.281 874 HB2 PRO 111 HB2 PRO 111 5.281 -10.455 -18.836 875 HB3 PRO 111 HB1 PRO 111 4.780 -12.069 -18.318 876 HG2 PRO 111 HG2 PRO 111 3.313 -10.697 -20.058 877 HG3 PRO 111 HG1 PRO 111 2.543 -11.671 -18.792 878 HD2 PRO 111 HD2 PRO 111 2.866 -8.715 -18.980 879 HD3 PRO 111 HD1 PRO 111 1.534 -9.666 -18.293 880 H GLU 112 HN GLU 112 5.397 -8.263 -17.466 881 HA GLU 112 HA GLU 112 7.989 -8.841 -16.422 882 HB2 GLU 112 HB2 GLU 112 6.900 -6.945 -18.167 883 HB3 GLU 112 HB1 GLU 112 7.549 -6.020 -16.819 884 HG2 GLU 112 HG2 GLU 112 9.630 -6.333 -17.507 885 HG3 GLU 112 HG1 GLU 112 9.394 -8.074 -17.623 886 H ASP 113 HN ASP 113 5.328 -6.737 -15.301 887 HA ASP 113 HA ASP 113 6.752 -5.720 -13.083 888 HB2 ASP 113 HB2 ASP 113 4.342 -5.325 -12.163 889 HB3 ASP 113 HB1 ASP 113 4.894 -4.431 -13.573 890 H LEU 114 HN LEU 114 4.865 -8.631 -13.537 891 HA LEU 114 HA LEU 114 4.431 -9.393 -10.906 892 HB2 LEU 114 HB2 LEU 114 3.483 -10.607 -12.778 893 HB3 LEU 114 HB1 LEU 114 5.080 -11.104 -13.305 894 HG LEU 114 HG LEU 114 4.661 -11.947 -10.587 895 HD11 LEU 114 HD11 LEU 114 2.262 -11.823 -11.328 896 HD12 LEU 114 HD12 LEU 114 2.814 -13.415 -10.806 897 HD13 LEU 114 HD13 LEU 114 2.648 -13.059 -12.524 898 HD21 LEU 114 HD21 LEU 114 5.285 -13.198 -13.226 899 HD22 LEU 114 HD22 LEU 114 4.909 -14.217 -11.836 900 HD23 LEU 114 HD23 LEU 114 6.272 -13.099 -11.767 901 H MET 115 HN MET 115 7.348 -9.536 -12.836 902 HA MET 115 HA MET 115 8.828 -11.181 -11.032 903 HB2 MET 115 HB2 MET 115 9.223 -10.575 -13.578 904 HB3 MET 115 HB1 MET 115 10.186 -9.275 -12.887 905 HG2 MET 115 HG2 MET 115 10.791 -11.804 -11.636 906 HG3 MET 115 HG1 MET 115 10.991 -11.885 -13.386 907 HE1 MET 115 HE1 MET 115 14.095 -10.779 -10.633 908 HE2 MET 115 HE2 MET 115 12.695 -11.845 -10.523 909 HE3 MET 115 HE3 MET 115 12.562 -10.160 -10.019 910 H ASP 116 HN ASP 116 8.364 -7.722 -11.431 911 HA ASP 116 HA ASP 116 10.426 -6.942 -9.616 912 HB2 ASP 116 HB2 ASP 116 7.993 -5.316 -10.366 913 HB3 ASP 116 HB1 ASP 116 9.567 -4.724 -9.841 914 H SER 117 HN SER 117 7.062 -7.784 -9.363 915 HA SER 117 HA SER 117 6.563 -6.778 -6.762 916 HB2 SER 117 HB2 SER 117 5.264 -9.203 -7.954 917 HB3 SER 117 HB1 SER 117 4.553 -8.017 -6.859 918 HG SER 117 HG SER 117 4.164 -6.721 -8.501 919 H LYS 118 HN LYS 118 7.508 -9.947 -8.007 920 HA LYS 118 HA LYS 118 7.516 -11.367 -5.608 921 HB2 LYS 118 HB2 LYS 118 8.118 -11.943 -8.226 922 HB3 LYS 118 HB1 LYS 118 9.693 -12.067 -7.454 923 HG2 LYS 118 HG2 LYS 118 9.012 -13.810 -6.066 924 HG3 LYS 118 HG1 LYS 118 7.300 -13.461 -6.315 925 HD2 LYS 118 HD2 LYS 118 7.214 -14.610 -8.265 926 HD3 LYS 118 HD1 LYS 118 8.850 -14.143 -8.733 927 HE2 LYS 118 HE2 LYS 118 8.458 -16.028 -6.453 928 HE3 LYS 118 HE1 LYS 118 8.300 -16.624 -8.105 929 HZ1 LYS 118 HZ1 LYS 118 10.609 -16.519 -6.795 930 HZ2 LYS 118 HZ2 LYS 118 10.652 -15.010 -7.557 931 HZ3 LYS 118 HZ3 LYS 118 10.495 -16.419 -8.480 932 H LEU 119 HN LEU 119 9.721 -9.072 -6.936 933 HA LEU 119 HA LEU 119 11.949 -9.683 -5.253 934 HB2 LEU 119 HB2 LEU 119 12.249 -8.492 -7.350 935 HB3 LEU 119 HB1 LEU 119 11.261 -7.166 -6.768 936 HG LEU 119 HG LEU 119 13.633 -7.845 -5.133 937 HD11 LEU 119 HD11 LEU 119 13.826 -7.276 -7.972 938 HD12 LEU 119 HD12 LEU 119 15.070 -7.786 -6.832 939 HD13 LEU 119 HD13 LEU 119 14.664 -6.076 -6.988 940 HD21 LEU 119 HD21 LEU 119 13.663 -5.188 -5.489 941 HD22 LEU 119 HD22 LEU 119 12.677 -5.991 -4.266 942 HD23 LEU 119 HD23 LEU 119 11.957 -5.509 -5.802 943 H ARG 120 HN ARG 120 9.466 -7.130 -5.138 944 HA ARG 120 HA ARG 120 10.393 -6.042 -2.682 945 HB2 ARG 120 HB2 ARG 120 8.297 -4.770 -2.675 946 HB3 ARG 120 HB1 ARG 120 9.081 -4.705 -4.247 947 HG2 ARG 120 HG2 ARG 120 7.413 -5.817 -5.278 948 HG3 ARG 120 HG1 ARG 120 7.079 -6.839 -3.880 949 HD2 ARG 120 HD2 ARG 120 5.253 -5.576 -3.610 950 HD3 ARG 120 HD1 ARG 120 6.357 -4.356 -2.976 951 HE ARG 120 HE ARG 120 6.398 -3.889 -5.636 952 HH11 ARG 120 HH11 ARG 120 3.803 -4.233 -3.325 953 HH12 ARG 120 HH12 ARG 120 2.736 -3.169 -4.177 954 HH21 ARG 120 HH21 ARG 120 4.993 -2.489 -6.758 955 HH22 ARG 120 HH22 ARG 120 3.411 -2.179 -6.126 956 H CYS 121 HN CYS 121 8.084 -8.528 -3.526 957 HA CYS 121 HA CYS 121 6.831 -8.724 -0.991 958 HB2 CYS 121 HB2 CYS 121 7.088 -10.767 -3.205 959 HB3 CYS 121 HB1 CYS 121 6.021 -10.919 -1.814 960 HG CYS 121 HG CYS 121 5.629 -8.703 -3.965 961 H VAL 122 HN VAL 122 9.647 -10.302 -2.420 962 HA VAL 122 HA VAL 122 9.985 -12.150 -0.261 963 HB VAL 122 HB VAL 122 10.860 -12.638 -2.505 964 HG11 VAL 122 HG11 VAL 122 12.701 -10.325 -1.936 965 HG12 VAL 122 HG12 VAL 122 11.572 -10.508 -3.277 966 HG13 VAL 122 HG13 VAL 122 13.007 -11.528 -3.188 967 HG21 VAL 122 HG21 VAL 122 11.980 -13.281 -0.135 968 HG22 VAL 122 HG22 VAL 122 13.357 -12.536 -0.947 969 HG23 VAL 122 HG23 VAL 122 12.533 -13.907 -1.688 970 H PHE 123 HN PHE 123 11.287 -8.978 -1.055 971 HA PHE 123 HA PHE 123 13.273 -8.936 0.971 972 HB2 PHE 123 HB2 PHE 123 12.074 -6.993 -0.906 973 HB3 PHE 123 HB1 PHE 123 12.747 -6.304 0.568 974 HD1 PHE 123 HD1 PHE 123 13.592 -8.565 -2.259 975 HD2 PHE 123 HD2 PHE 123 15.019 -5.891 0.729 976 HE1 PHE 123 HE1 PHE 123 15.846 -8.680 -3.239 977 HE2 PHE 123 HE2 PHE 123 17.275 -6.001 -0.245 978 HZ PHE 123 HZ PHE 123 17.691 -7.396 -2.232 979 H GLU 124 HN GLU 124 9.878 -8.091 0.875 980 HA GLU 124 HA GLU 124 9.732 -6.624 3.266 981 HB2 GLU 124 HB2 GLU 124 7.958 -7.352 1.299 982 HB3 GLU 124 HB1 GLU 124 7.385 -8.282 2.676 983 HG2 GLU 124 HG2 GLU 124 6.188 -6.307 2.816 984 HG3 GLU 124 HG1 GLU 124 7.502 -6.072 3.967 985 H LEU 125 HN LEU 125 9.148 -10.078 2.643 986 HA LEU 125 HA LEU 125 9.182 -11.900 4.003 987 HB2 LEU 125 HB2 LEU 125 11.038 -10.024 5.406 988 HB3 LEU 125 HB1 LEU 125 10.576 -11.519 6.198 989 HG LEU 125 HG LEU 125 11.346 -12.249 3.594 990 HD11 LEU 125 HD11 LEU 125 13.178 -11.101 2.988 991 HD12 LEU 125 HD12 LEU 125 13.717 -10.879 4.652 992 HD13 LEU 125 HD13 LEU 125 12.477 -9.821 3.978 993 HD21 LEU 125 HD21 LEU 125 12.296 -12.627 6.366 994 HD22 LEU 125 HD22 LEU 125 13.443 -12.999 5.078 995 HD23 LEU 125 HD23 LEU 125 11.882 -13.819 5.133 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -10.140 11.562 1.836 2 H2 MET 1 HT2 MET 1 -10.721 10.363 0.753 3 H3 MET 1 HT3 MET 1 -11.705 10.896 2.054 4 HA MET 1 HA MET 1 -12.564 11.953 0.241 5 HB2 MET 1 HB2 MET 1 -11.890 13.346 2.286 6 HB3 MET 1 HB1 MET 1 -10.561 13.943 1.301 7 HG2 MET 1 HG2 MET 1 -12.613 14.382 -0.374 8 HG3 MET 1 HG1 MET 1 -13.437 14.547 1.175 9 HE1 MET 1 HE1 MET 1 -11.191 15.603 -1.351 10 HE2 MET 1 HE2 MET 1 -9.935 16.564 -0.571 11 HE3 MET 1 HE3 MET 1 -11.371 17.352 -1.223 12 H ALA 2 HN ALA 2 -12.004 11.181 -1.768 13 HA ALA 2 HA ALA 2 -10.176 12.810 -3.285 14 HB1 ALA 2 HB1 ALA 2 -8.538 11.298 -2.486 15 HB2 ALA 2 HB2 ALA 2 -8.900 10.810 -4.142 16 HB3 ALA 2 HB3 ALA 2 -9.575 9.904 -2.787 17 H LYS 3 HN LYS 3 -10.119 12.052 -5.627 18 HA LYS 3 HA LYS 3 -12.754 11.852 -6.591 19 HB2 LYS 3 HB2 LYS 3 -10.828 12.875 -7.808 20 HB3 LYS 3 HB1 LYS 3 -10.211 11.257 -8.106 21 HG2 LYS 3 HG2 LYS 3 -11.456 11.123 -9.927 22 HG3 LYS 3 HG1 LYS 3 -12.912 11.302 -8.946 23 HD2 LYS 3 HD2 LYS 3 -11.415 13.783 -9.514 24 HD3 LYS 3 HD1 LYS 3 -12.202 13.020 -10.898 25 HE2 LYS 3 HE2 LYS 3 -14.276 12.906 -9.370 26 HE3 LYS 3 HE1 LYS 3 -13.431 14.099 -8.385 27 HZ1 LYS 3 HZ1 LYS 3 -14.482 15.524 -9.750 28 HZ2 LYS 3 HZ2 LYS 3 -14.672 14.392 -10.992 29 HZ3 LYS 3 HZ3 LYS 3 -13.195 15.192 -10.797 30 H VAL 4 HN VAL 4 -14.003 10.135 -6.416 31 HA VAL 4 HA VAL 4 -13.146 7.517 -5.924 32 HB VAL 4 HB VAL 4 -15.784 8.320 -7.149 33 HG11 VAL 4 HG11 VAL 4 -15.061 5.862 -7.041 34 HG12 VAL 4 HG12 VAL 4 -16.639 6.286 -6.379 35 HG13 VAL 4 HG13 VAL 4 -15.272 6.016 -5.296 36 HG21 VAL 4 HG21 VAL 4 -16.483 9.161 -5.196 37 HG22 VAL 4 HG22 VAL 4 -14.773 9.277 -4.783 38 HG23 VAL 4 HG23 VAL 4 -15.713 7.877 -4.265 39 H GLU 5 HN GLU 5 -14.147 9.096 -8.936 40 HA GLU 5 HA GLU 5 -14.111 6.853 -10.597 41 HB2 GLU 5 HB2 GLU 5 -13.888 9.791 -11.015 42 HB3 GLU 5 HB1 GLU 5 -13.444 8.741 -12.353 43 HG2 GLU 5 HG2 GLU 5 -15.633 7.717 -12.321 44 HG3 GLU 5 HG1 GLU 5 -16.084 8.675 -10.912 45 H GLN 6 HN GLN 6 -11.503 9.157 -9.855 46 HA GLN 6 HA GLN 6 -9.590 7.942 -11.555 47 HB2 GLN 6 HB2 GLN 6 -9.581 10.022 -9.459 48 HB3 GLN 6 HB1 GLN 6 -8.053 9.190 -9.694 49 HG2 GLN 6 HG2 GLN 6 -8.878 9.778 -12.264 50 HG3 GLN 6 HG1 GLN 6 -9.349 11.197 -11.331 51 HE21 GLN 6 1HE2 GLN 6 -7.858 12.690 -11.784 52 HE22 GLN 6 2HE2 GLN 6 -6.148 12.468 -11.655 53 H VAL 7 HN VAL 7 -10.399 7.509 -8.150 54 HA VAL 7 HA VAL 7 -8.218 5.675 -7.703 55 HB VAL 7 HB VAL 7 -8.994 7.171 -5.910 56 HG11 VAL 7 HG11 VAL 7 -11.077 6.999 -4.877 57 HG12 VAL 7 HG12 VAL 7 -11.409 5.425 -5.598 58 HG13 VAL 7 HG13 VAL 7 -11.448 6.877 -6.597 59 HG21 VAL 7 HG21 VAL 7 -9.617 4.530 -4.770 60 HG22 VAL 7 HG22 VAL 7 -8.381 5.703 -4.314 61 HG23 VAL 7 HG23 VAL 7 -8.111 4.627 -5.684 62 H LEU 8 HN LEU 8 -11.456 5.380 -8.835 63 HA LEU 8 HA LEU 8 -12.196 2.888 -7.837 64 HB2 LEU 8 HB2 LEU 8 -13.328 4.666 -9.529 65 HB3 LEU 8 HB1 LEU 8 -12.857 3.421 -10.671 66 HG LEU 8 HG LEU 8 -14.169 1.766 -9.453 67 HD11 LEU 8 HD11 LEU 8 -15.789 2.900 -7.699 68 HD12 LEU 8 HD12 LEU 8 -14.414 3.986 -7.498 69 HD13 LEU 8 HD13 LEU 8 -14.216 2.254 -7.229 70 HD21 LEU 8 HD21 LEU 8 -15.435 4.282 -10.416 71 HD22 LEU 8 HD22 LEU 8 -16.452 3.050 -9.668 72 HD23 LEU 8 HD23 LEU 8 -15.493 2.655 -11.095 73 H SER 9 HN SER 9 -10.428 3.630 -10.834 74 HA SER 9 HA SER 9 -9.254 2.292 -12.274 75 HB2 SER 9 HB2 SER 9 -7.864 0.633 -10.468 76 HB3 SER 9 HB1 SER 9 -7.326 2.167 -11.150 77 HG SER 9 HG SER 9 -8.717 1.738 -8.711 78 H LEU 10 HN LEU 10 -11.908 1.091 -11.302 79 HA LEU 10 HA LEU 10 -11.355 -1.746 -11.332 80 HB2 LEU 10 HB2 LEU 10 -13.740 -0.075 -10.874 81 HB3 LEU 10 HB1 LEU 10 -14.019 -1.656 -11.578 82 HG LEU 10 HG LEU 10 -12.535 -2.508 -9.606 83 HD11 LEU 10 HD11 LEU 10 -12.993 0.301 -8.924 84 HD12 LEU 10 HD12 LEU 10 -11.778 -0.830 -8.330 85 HD13 LEU 10 HD13 LEU 10 -13.402 -0.837 -7.641 86 HD21 LEU 10 HD21 LEU 10 -14.672 -2.423 -8.139 87 HD22 LEU 10 HD22 LEU 10 -14.710 -3.290 -9.674 88 HD23 LEU 10 HD23 LEU 10 -15.405 -1.672 -9.558 89 H GLU 11 HN GLU 11 -12.001 0.651 -13.716 90 HA GLU 11 HA GLU 11 -13.381 -0.943 -15.595 91 HB2 GLU 11 HB2 GLU 11 -12.575 1.678 -15.497 92 HB3 GLU 11 HB1 GLU 11 -11.506 1.021 -16.729 93 HG2 GLU 11 HG2 GLU 11 -13.601 0.077 -17.816 94 HG3 GLU 11 HG1 GLU 11 -14.502 1.133 -16.726 95 HA PRO 12 HA PRO 12 -9.145 -2.346 -17.171 96 HB2 PRO 12 HB2 PRO 12 -6.885 -1.241 -16.281 97 HB3 PRO 12 HB1 PRO 12 -7.917 -0.368 -17.420 98 HG2 PRO 12 HG2 PRO 12 -7.520 0.069 -14.515 99 HG3 PRO 12 HG1 PRO 12 -7.942 1.232 -15.779 100 HD2 PRO 12 HD2 PRO 12 -9.707 -0.070 -13.952 101 HD3 PRO 12 HD1 PRO 12 -10.141 1.016 -15.285 102 H GLN 13 HN GLN 13 -9.082 -4.404 -16.296 103 HA GLN 13 HA GLN 13 -8.992 -4.899 -13.535 104 HB2 GLN 13 HB2 GLN 13 -9.463 -6.423 -15.754 105 HB3 GLN 13 HB1 GLN 13 -7.880 -7.017 -15.272 106 HG2 GLN 13 HG2 GLN 13 -8.946 -8.362 -13.873 107 HG3 GLN 13 HG1 GLN 13 -9.292 -6.932 -12.902 108 HE21 GLN 13 1HE2 GLN 13 -10.573 -9.407 -14.853 109 HE22 GLN 13 2HE2 GLN 13 -12.227 -8.910 -14.810 110 H HIS 14 HN HIS 14 -6.435 -4.942 -16.011 111 HA HIS 14 HA HIS 14 -4.167 -4.898 -15.875 112 HB2 HIS 14 HB2 HIS 14 -5.036 -2.837 -14.431 113 HB3 HIS 14 HB1 HIS 14 -4.251 -3.734 -13.137 114 HD1 HIS 14 HD1 HIS 14 -2.396 -4.319 -16.162 115 HD2 HIS 14 HD2 HIS 14 -2.585 -1.269 -13.347 116 HE1 HIS 14 HE1 HIS 14 -0.280 -2.995 -16.463 117 HE2 HIS 14 HE2 HIS 14 -0.465 -1.096 -14.817 118 H GLU 15 HN GLU 15 -2.384 -6.017 -15.126 119 HA GLU 15 HA GLU 15 -2.833 -8.452 -13.818 120 HB2 GLU 15 HB2 GLU 15 -0.330 -8.586 -13.717 121 HB3 GLU 15 HB1 GLU 15 -0.986 -8.262 -15.316 122 HG2 GLU 15 HG2 GLU 15 0.639 -6.701 -15.330 123 HG3 GLU 15 HG1 GLU 15 -0.593 -5.750 -14.505 124 H LEU 16 HN LEU 16 -1.263 -5.488 -12.640 125 HA LEU 16 HA LEU 16 -0.902 -4.686 -10.546 126 HB2 LEU 16 HB2 LEU 16 -3.253 -6.474 -10.145 127 HB3 LEU 16 HB1 LEU 16 -2.432 -5.848 -8.728 128 HG LEU 16 HG LEU 16 -3.120 -3.836 -10.774 129 HD11 LEU 16 HD11 LEU 16 -5.062 -5.637 -10.425 130 HD12 LEU 16 HD12 LEU 16 -5.377 -3.916 -10.649 131 HD13 LEU 16 HD13 LEU 16 -5.375 -4.608 -9.028 132 HD21 LEU 16 HD21 LEU 16 -2.131 -3.131 -8.715 133 HD22 LEU 16 HD22 LEU 16 -3.326 -4.023 -7.775 134 HD23 LEU 16 HD23 LEU 16 -3.818 -2.615 -8.714 135 H LYS 17 HN LYS 17 1.218 -5.642 -10.670 136 HA LYS 17 HA LYS 17 2.972 -6.760 -9.760 137 HB2 LYS 17 HB2 LYS 17 0.901 -6.888 -7.664 138 HB3 LYS 17 HB1 LYS 17 2.169 -8.100 -7.532 139 HG2 LYS 17 HG2 LYS 17 3.290 -6.529 -6.418 140 HG3 LYS 17 HG1 LYS 17 3.609 -5.833 -8.008 141 HD2 LYS 17 HD2 LYS 17 2.247 -4.081 -7.646 142 HD3 LYS 17 HD1 LYS 17 1.026 -5.072 -6.848 143 HE2 LYS 17 HE2 LYS 17 1.770 -3.679 -5.144 144 HE3 LYS 17 HE1 LYS 17 2.696 -5.157 -4.886 145 HZ1 LYS 17 HZ1 LYS 17 4.622 -4.164 -5.483 146 HZ2 LYS 17 HZ2 LYS 17 3.816 -2.774 -4.958 147 HZ3 LYS 17 HZ3 LYS 17 3.894 -3.132 -6.609 148 H PHE 18 HN PHE 18 0.607 -9.097 -8.553 149 HA PHE 18 HA PHE 18 1.078 -10.930 -10.734 150 HB2 PHE 18 HB2 PHE 18 2.084 -12.688 -9.362 151 HB3 PHE 18 HB1 PHE 18 3.090 -11.246 -9.340 152 HD1 PHE 18 HD1 PHE 18 3.159 -9.812 -7.341 153 HD2 PHE 18 HD2 PHE 18 1.073 -13.521 -7.376 154 HE1 PHE 18 HE1 PHE 18 3.118 -9.808 -4.880 155 HE2 PHE 18 HE2 PHE 18 1.028 -13.524 -4.917 156 HZ PHE 18 HZ PHE 18 2.051 -11.665 -3.666 157 H ARG 19 HN ARG 19 0.334 -13.286 -9.211 158 HA ARG 19 HA ARG 19 -2.485 -12.999 -9.287 159 HB2 ARG 19 HB2 ARG 19 -0.556 -15.159 -8.693 160 HB3 ARG 19 HB1 ARG 19 -2.141 -15.333 -7.953 161 HG2 ARG 19 HG2 ARG 19 -1.774 -14.808 -10.886 162 HG3 ARG 19 HG1 ARG 19 -1.816 -16.433 -10.200 163 HD2 ARG 19 HD2 ARG 19 -3.994 -14.355 -10.011 164 HD3 ARG 19 HD1 ARG 19 -4.010 -15.792 -11.032 165 HE ARG 19 HE ARG 19 -3.665 -16.800 -8.543 166 HH11 ARG 19 HH11 ARG 19 -5.990 -14.595 -9.927 167 HH12 ARG 19 HH12 ARG 19 -7.264 -15.066 -8.852 168 HH21 ARG 19 HH21 ARG 19 -5.338 -17.420 -7.128 169 HH22 ARG 19 HH22 ARG 19 -6.894 -16.670 -7.263 170 H GLY 20 HN GLY 20 -3.998 -13.333 -7.538 171 HA2 GLY 20 HA2 GLY 20 -4.355 -13.526 -5.117 172 HA3 GLY 20 HA1 GLY 20 -2.910 -12.563 -4.885 173 HA PRO 21 HA PRO 21 -4.767 -8.559 -5.005 174 HB2 PRO 21 HB2 PRO 21 -4.584 -8.396 -7.991 175 HB3 PRO 21 HB1 PRO 21 -4.194 -7.172 -6.776 176 HG2 PRO 21 HG2 PRO 21 -2.262 -8.575 -7.946 177 HG3 PRO 21 HG1 PRO 21 -2.176 -8.175 -6.221 178 HD2 PRO 21 HD2 PRO 21 -2.765 -10.768 -7.536 179 HD3 PRO 21 HD1 PRO 21 -2.003 -10.449 -5.967 180 H PHE 22 HN PHE 22 -5.865 -10.809 -7.470 181 HA PHE 22 HA PHE 22 -8.391 -9.612 -7.887 182 HB2 PHE 22 HB2 PHE 22 -7.202 -12.304 -8.416 183 HB3 PHE 22 HB1 PHE 22 -8.951 -12.127 -8.508 184 HD1 PHE 22 HD1 PHE 22 -9.824 -10.199 -10.005 185 HD2 PHE 22 HD2 PHE 22 -5.902 -11.828 -10.258 186 HE1 PHE 22 HE1 PHE 22 -9.616 -9.331 -12.298 187 HE2 PHE 22 HE2 PHE 22 -5.685 -10.961 -12.550 188 HZ PHE 22 HZ PHE 22 -7.543 -9.712 -13.573 189 H THR 23 HN THR 23 -7.461 -12.470 -5.957 190 HA THR 23 HA THR 23 -10.003 -12.587 -4.660 191 HB THR 23 HB THR 23 -9.115 -14.421 -3.415 192 HG1 THR 23 HG1 THR 23 -7.167 -13.998 -2.700 193 HG21 THR 23 HG21 THR 23 -8.976 -15.807 -5.135 194 HG22 THR 23 HG22 THR 23 -7.485 -15.062 -5.711 195 HG23 THR 23 HG23 THR 23 -9.046 -14.384 -6.174 196 H ASP 24 HN ASP 24 -6.744 -11.796 -3.406 197 HA ASP 24 HA ASP 24 -7.768 -11.038 -0.870 198 HB2 ASP 24 HB2 ASP 24 -5.649 -11.076 -0.173 199 HB3 ASP 24 HB1 ASP 24 -5.335 -11.829 -1.725 200 H VAL 25 HN VAL 25 -6.373 -9.037 -3.484 201 HA VAL 25 HA VAL 25 -6.705 -6.623 -2.085 202 HB VAL 25 HB VAL 25 -6.335 -7.174 -5.006 203 HG11 VAL 25 HG11 VAL 25 -5.877 -4.577 -4.991 204 HG12 VAL 25 HG12 VAL 25 -7.090 -4.612 -3.710 205 HG13 VAL 25 HG13 VAL 25 -7.486 -5.225 -5.316 206 HG21 VAL 25 HG21 VAL 25 -4.535 -7.319 -3.129 207 HG22 VAL 25 HG22 VAL 25 -4.551 -5.559 -3.251 208 HG23 VAL 25 HG23 VAL 25 -4.151 -6.536 -4.663 209 H VAL 26 HN VAL 26 -9.031 -8.358 -4.091 210 HA VAL 26 HA VAL 26 -10.800 -6.254 -4.579 211 HB VAL 26 HB VAL 26 -12.630 -7.997 -4.593 212 HG11 VAL 26 HG11 VAL 26 -10.160 -8.195 -6.277 213 HG12 VAL 26 HG12 VAL 26 -11.718 -7.465 -6.665 214 HG13 VAL 26 HG13 VAL 26 -11.563 -9.219 -6.578 215 HG21 VAL 26 HG21 VAL 26 -10.296 -9.751 -3.881 216 HG22 VAL 26 HG22 VAL 26 -11.761 -10.371 -4.641 217 HG23 VAL 26 HG23 VAL 26 -11.846 -9.605 -3.053 218 H THR 27 HN THR 27 -10.352 -8.169 -1.670 219 HA THR 27 HA THR 27 -12.708 -7.492 -0.329 220 HB THR 27 HB THR 27 -11.474 -7.968 1.742 221 HG1 THR 27 HG1 THR 27 -9.245 -8.360 1.633 222 HG21 THR 27 HG21 THR 27 -10.250 -10.146 0.860 223 HG22 THR 27 HG22 THR 27 -11.193 -9.771 -0.584 224 HG23 THR 27 HG23 THR 27 -12.006 -10.022 0.961 225 H THR 28 HN THR 28 -9.549 -5.880 -0.344 226 HA THR 28 HA THR 28 -10.393 -3.672 1.247 227 HB THR 28 HB THR 28 -8.262 -2.629 0.495 228 HG1 THR 28 HG1 THR 28 -6.899 -3.923 -0.828 229 HG21 THR 28 HG21 THR 28 -7.307 -5.334 1.041 230 HG22 THR 28 HG22 THR 28 -8.511 -4.741 2.184 231 HG23 THR 28 HG23 THR 28 -7.028 -3.826 1.913 232 H ASN 29 HN ASN 29 -10.142 -4.294 -2.207 233 HA ASN 29 HA ASN 29 -10.607 -1.698 -3.147 234 HB2 ASN 29 HB2 ASN 29 -10.399 -4.330 -4.254 235 HB3 ASN 29 HB1 ASN 29 -11.804 -3.533 -4.956 236 HD21 ASN 29 1HE2 ASN 29 -11.519 -1.970 -6.436 237 HD22 ASN 29 2HE2 ASN 29 -9.979 -1.404 -6.976 238 H LEU 30 HN LEU 30 -12.894 -4.332 -2.443 239 HA LEU 30 HA LEU 30 -15.226 -3.053 -3.287 240 HB2 LEU 30 HB2 LEU 30 -15.264 -5.392 -2.767 241 HB3 LEU 30 HB1 LEU 30 -14.761 -5.093 -1.116 242 HG LEU 30 HG LEU 30 -17.208 -5.701 -1.507 243 HD11 LEU 30 HD11 LEU 30 -16.074 -4.452 0.504 244 HD12 LEU 30 HD12 LEU 30 -17.827 -4.601 0.401 245 HD13 LEU 30 HD13 LEU 30 -17.042 -3.095 -0.075 246 HD21 LEU 30 HD21 LEU 30 -18.658 -3.735 -2.036 247 HD22 LEU 30 HD22 LEU 30 -17.722 -4.346 -3.401 248 HD23 LEU 30 HD23 LEU 30 -17.207 -2.882 -2.564 249 H LYS 31 HN LYS 31 -13.746 -3.153 -0.058 250 HA LYS 31 HA LYS 31 -15.581 -1.082 0.856 251 HB2 LYS 31 HB2 LYS 31 -14.007 -3.179 2.111 252 HB3 LYS 31 HB1 LYS 31 -13.786 -1.634 2.920 253 HG2 LYS 31 HG2 LYS 31 -15.767 -1.782 3.898 254 HG3 LYS 31 HG1 LYS 31 -16.569 -2.087 2.357 255 HD2 LYS 31 HD2 LYS 31 -16.062 -4.448 2.518 256 HD3 LYS 31 HD1 LYS 31 -15.136 -4.177 3.996 257 HE2 LYS 31 HE2 LYS 31 -17.484 -3.071 4.705 258 HE3 LYS 31 HE1 LYS 31 -18.056 -4.297 3.573 259 HZ1 LYS 31 HZ1 LYS 31 -17.812 -4.926 6.025 260 HZ2 LYS 31 HZ2 LYS 31 -16.151 -4.992 5.716 261 HZ3 LYS 31 HZ3 LYS 31 -17.208 -6.003 4.868 262 H LEU 32 HN LEU 32 -14.407 0.274 -0.878 263 HA LEU 32 HA LEU 32 -11.814 1.274 -0.115 264 HB2 LEU 32 HB2 LEU 32 -13.266 1.209 -2.471 265 HB3 LEU 32 HB1 LEU 32 -13.305 2.902 -2.023 266 HG LEU 32 HG LEU 32 -11.433 2.274 -3.551 267 HD11 LEU 32 HD11 LEU 32 -9.648 3.278 -1.847 268 HD12 LEU 32 HD12 LEU 32 -11.119 3.629 -0.942 269 HD13 LEU 32 HD13 LEU 32 -10.920 4.254 -2.579 270 HD21 LEU 32 HD21 LEU 32 -9.939 1.107 -1.279 271 HD22 LEU 32 HD22 LEU 32 -9.806 0.790 -3.009 272 HD23 LEU 32 HD23 LEU 32 -11.124 0.075 -2.079 273 H GLY 33 HN GLY 33 -13.016 1.631 2.072 274 HA2 GLY 33 HA2 GLY 33 -13.058 4.424 2.529 275 HA3 GLY 33 HA1 GLY 33 -14.706 3.815 2.486 276 H ASN 34 HN ASN 34 -15.515 2.720 4.230 277 HA ASN 34 HA ASN 34 -13.740 2.577 6.567 278 HB2 ASN 34 HB2 ASN 34 -16.764 2.558 6.463 279 HB3 ASN 34 HB1 ASN 34 -15.777 2.614 7.919 280 HD21 ASN 34 1HE2 ASN 34 -16.861 4.377 5.121 281 HD22 ASN 34 2HE2 ASN 34 -16.427 5.948 5.695 282 HA PRO 35 HA PRO 35 -14.219 -1.875 5.505 283 HB2 PRO 35 HB2 PRO 35 -11.830 -2.622 6.560 284 HB3 PRO 35 HB1 PRO 35 -11.998 -1.980 4.922 285 HG2 PRO 35 HG2 PRO 35 -11.146 -0.578 7.427 286 HG3 PRO 35 HG1 PRO 35 -10.456 -0.473 5.796 287 HD2 PRO 35 HD2 PRO 35 -12.126 1.410 6.783 288 HD3 PRO 35 HD1 PRO 35 -12.089 0.980 5.061 289 H THR 36 HN THR 36 -12.804 -0.598 8.518 290 HA THR 36 HA THR 36 -14.632 -2.337 10.020 291 HB THR 36 HB THR 36 -12.203 -2.023 11.507 292 HG1 THR 36 HG1 THR 36 -11.071 -1.849 9.614 293 HG21 THR 36 HG21 THR 36 -12.378 -4.253 11.890 294 HG22 THR 36 HG22 THR 36 -12.905 -4.611 10.246 295 HG23 THR 36 HG23 THR 36 -14.037 -3.909 11.401 296 H ASP 37 HN ASP 37 -12.065 -0.111 11.051 297 HA ASP 37 HA ASP 37 -12.095 1.676 12.461 298 HB2 ASP 37 HB2 ASP 37 -13.095 2.733 10.490 299 HB3 ASP 37 HB1 ASP 37 -14.696 2.217 11.011 300 H ARG 38 HN ARG 38 -12.269 0.811 14.481 301 HA ARG 38 HA ARG 38 -14.967 0.321 15.535 302 HB2 ARG 38 HB2 ARG 38 -12.742 -1.248 15.686 303 HB3 ARG 38 HB1 ARG 38 -12.655 -0.386 17.215 304 HG2 ARG 38 HG2 ARG 38 -13.904 -2.164 17.861 305 HG3 ARG 38 HG1 ARG 38 -15.199 -1.082 17.345 306 HD2 ARG 38 HD2 ARG 38 -15.654 -2.296 15.467 307 HD3 ARG 38 HD1 ARG 38 -13.995 -2.870 15.305 308 HE ARG 38 HE ARG 38 -14.851 -4.114 17.543 309 HH11 ARG 38 HH11 ARG 38 -16.170 -3.849 14.323 310 HH12 ARG 38 HH12 ARG 38 -16.952 -5.392 14.381 311 HH21 ARG 38 HH21 ARG 38 -15.878 -6.146 17.621 312 HH22 ARG 38 HH22 ARG 38 -16.786 -6.697 16.254 313 H ASN 39 HN ASN 39 -13.858 2.982 15.162 314 HA ASN 39 HA ASN 39 -14.352 3.989 17.824 315 HB2 ASN 39 HB2 ASN 39 -11.653 3.980 16.612 316 HB3 ASN 39 HB1 ASN 39 -12.162 5.503 17.334 317 HD21 ASN 39 1HE2 ASN 39 -10.446 2.873 17.953 318 HD22 ASN 39 2HE2 ASN 39 -10.689 2.715 19.656 319 H VAL 40 HN VAL 40 -13.811 6.579 17.616 320 HA VAL 40 HA VAL 40 -15.815 7.591 15.950 321 HB VAL 40 HB VAL 40 -14.870 9.828 16.444 322 HG11 VAL 40 HG11 VAL 40 -15.172 9.718 18.884 323 HG12 VAL 40 HG12 VAL 40 -15.073 7.959 18.802 324 HG13 VAL 40 HG13 VAL 40 -16.406 8.805 18.015 325 HG21 VAL 40 HG21 VAL 40 -12.934 9.963 17.987 326 HG22 VAL 40 HG22 VAL 40 -12.514 9.329 16.396 327 HG23 VAL 40 HG23 VAL 40 -12.680 8.233 17.766 328 H CYS 41 HN CYS 41 -15.233 9.557 14.428 329 HA CYS 41 HA CYS 41 -14.456 10.227 12.398 330 HB2 CYS 41 HB2 CYS 41 -12.063 9.022 13.679 331 HB3 CYS 41 HB1 CYS 41 -11.982 9.291 11.940 332 HG CYS 41 HG CYS 41 -12.789 11.868 12.872 333 H PHE 42 HN PHE 42 -13.840 9.453 10.224 334 HA PHE 42 HA PHE 42 -14.678 6.653 9.848 335 HB2 PHE 42 HB2 PHE 42 -15.200 7.577 7.451 336 HB3 PHE 42 HB1 PHE 42 -16.329 7.860 8.771 337 HD1 PHE 42 HD2 PHE 42 -16.609 10.067 9.720 338 HD2 PHE 42 HD1 PHE 42 -13.890 9.378 6.519 339 HE1 PHE 42 HE2 PHE 42 -16.478 12.489 9.315 340 HE2 PHE 42 HE1 PHE 42 -13.754 11.800 6.108 341 HZ PHE 42 HZ PHE 42 -15.050 13.359 7.507 342 H LYS 43 HN LYS 43 -12.475 5.908 10.063 343 HA LYS 43 HA LYS 43 -10.526 5.143 9.221 344 HB2 LYS 43 HB2 LYS 43 -10.537 4.567 7.049 345 HB3 LYS 43 HB1 LYS 43 -12.169 5.207 7.060 346 HG2 LYS 43 HG2 LYS 43 -11.483 7.230 6.040 347 HG3 LYS 43 HG1 LYS 43 -9.781 6.871 6.308 348 HD2 LYS 43 HD2 LYS 43 -11.549 5.146 4.603 349 HD3 LYS 43 HD1 LYS 43 -10.647 6.517 3.959 350 HE2 LYS 43 HE2 LYS 43 -9.358 4.274 5.497 351 HE3 LYS 43 HE1 LYS 43 -9.531 4.262 3.743 352 HZ1 LYS 43 HZ1 LYS 43 -8.063 6.010 3.502 353 HZ2 LYS 43 HZ2 LYS 43 -7.366 5.145 4.777 354 HZ3 LYS 43 HZ3 LYS 43 -8.255 6.549 5.095 355 H VAL 44 HN VAL 44 -8.568 6.083 7.650 356 HA VAL 44 HA VAL 44 -6.925 7.652 7.446 357 HB VAL 44 HB VAL 44 -8.880 9.723 8.441 358 HG11 VAL 44 HG11 VAL 44 -6.933 10.872 8.347 359 HG12 VAL 44 HG12 VAL 44 -7.350 10.977 6.637 360 HG13 VAL 44 HG13 VAL 44 -6.204 9.757 7.191 361 HG21 VAL 44 HG21 VAL 44 -8.620 8.446 5.749 362 HG22 VAL 44 HG22 VAL 44 -9.126 10.130 5.887 363 HG23 VAL 44 HG23 VAL 44 -10.074 8.859 6.658 364 H LYS 45 HN LYS 45 -7.707 6.263 10.030 365 HA LYS 45 HA LYS 45 -5.650 7.224 11.644 366 HB2 LYS 45 HB2 LYS 45 -7.750 8.971 11.781 367 HB3 LYS 45 HB1 LYS 45 -8.094 7.904 13.135 368 HG2 LYS 45 HG2 LYS 45 -6.304 8.608 14.329 369 HG3 LYS 45 HG1 LYS 45 -5.321 8.897 12.892 370 HD2 LYS 45 HD2 LYS 45 -5.944 11.046 12.766 371 HD3 LYS 45 HD1 LYS 45 -7.638 10.662 13.075 372 HE2 LYS 45 HE2 LYS 45 -6.532 10.202 15.514 373 HE3 LYS 45 HE1 LYS 45 -5.522 11.521 14.922 374 HZ1 LYS 45 HZ1 LYS 45 -7.797 11.934 16.176 375 HZ2 LYS 45 HZ2 LYS 45 -8.407 11.811 14.604 376 HZ3 LYS 45 HZ3 LYS 45 -7.236 12.976 14.967 377 H THR 46 HN THR 46 -8.969 6.230 12.483 378 HA THR 46 HA THR 46 -7.904 4.044 14.072 379 HB THR 46 HB THR 46 -10.274 3.702 14.734 380 HG1 THR 46 HG1 THR 46 -10.802 6.013 13.185 381 HG21 THR 46 HG21 THR 46 -10.587 5.713 15.999 382 HG22 THR 46 HG22 THR 46 -9.469 6.590 14.954 383 HG23 THR 46 HG23 THR 46 -8.874 5.295 15.992 384 H THR 47 HN THR 47 -7.168 2.478 12.701 385 HA THR 47 HA THR 47 -9.126 1.327 10.825 386 HB THR 47 HB THR 47 -7.106 2.239 9.736 387 HG1 THR 47 HG1 THR 47 -8.129 0.377 8.861 388 HG21 THR 47 HG21 THR 47 -5.631 0.203 11.384 389 HG22 THR 47 HG22 THR 47 -5.437 1.954 11.433 390 HG23 THR 47 HG23 THR 47 -4.963 1.054 9.992 391 H ALA 48 HN ALA 48 -7.797 -1.089 10.350 392 HA ALA 48 HA ALA 48 -8.157 -2.422 12.949 393 HB1 ALA 48 HB1 ALA 48 -8.224 -4.059 10.502 394 HB2 ALA 48 HB2 ALA 48 -9.532 -2.890 10.679 395 HB3 ALA 48 HB3 ALA 48 -9.259 -4.102 11.929 396 HA PRO 49 HA PRO 49 -3.968 -3.777 13.138 397 HB2 PRO 49 HB2 PRO 49 -4.994 -6.488 13.772 398 HB3 PRO 49 HB1 PRO 49 -3.906 -5.450 14.700 399 HG2 PRO 49 HG2 PRO 49 -6.437 -5.806 15.461 400 HG3 PRO 49 HG1 PRO 49 -5.645 -4.227 15.622 401 HD2 PRO 49 HD2 PRO 49 -7.623 -5.158 13.580 402 HD3 PRO 49 HD1 PRO 49 -7.485 -3.579 14.380 403 H ARG 50 HN ARG 50 -2.588 -5.804 12.475 404 HA ARG 50 HA ARG 50 -3.366 -7.463 10.367 405 HB2 ARG 50 HB2 ARG 50 -3.338 -4.967 9.396 406 HB3 ARG 50 HB1 ARG 50 -1.634 -5.351 9.193 407 HG2 ARG 50 HG2 ARG 50 -2.685 -5.897 7.159 408 HG3 ARG 50 HG1 ARG 50 -2.367 -7.431 7.974 409 HD2 ARG 50 HD2 ARG 50 -4.692 -7.459 8.779 410 HD3 ARG 50 HD1 ARG 50 -4.997 -5.954 7.916 411 HE ARG 50 HE ARG 50 -5.138 -7.138 5.959 412 HH11 ARG 50 HH11 ARG 50 -3.731 -9.171 8.421 413 HH12 ARG 50 HH12 ARG 50 -3.801 -10.605 7.454 414 HH21 ARG 50 HH21 ARG 50 -5.234 -9.022 4.686 415 HH22 ARG 50 HH22 ARG 50 -4.655 -10.521 5.333 416 H ARG 51 HN ARG 51 -1.844 -8.994 10.051 417 HA ARG 51 HA ARG 51 0.515 -8.927 11.671 418 HB2 ARG 51 HB2 ARG 51 -1.047 -10.931 10.750 419 HB3 ARG 51 HB1 ARG 51 0.264 -11.008 9.581 420 HG2 ARG 51 HG2 ARG 51 1.074 -10.828 12.408 421 HG3 ARG 51 HG1 ARG 51 0.264 -12.319 11.924 422 HD2 ARG 51 HD2 ARG 51 2.165 -11.635 9.919 423 HD3 ARG 51 HD1 ARG 51 2.960 -11.549 11.491 424 HE ARG 51 HE ARG 51 2.119 -13.902 10.127 425 HH11 ARG 51 HH11 ARG 51 2.536 -12.520 13.304 426 HH12 ARG 51 HH12 ARG 51 2.760 -14.052 14.078 427 HH21 ARG 51 HH21 ARG 51 2.412 -15.919 11.144 428 HH22 ARG 51 HH22 ARG 51 2.690 -15.983 12.853 429 H TYR 52 HN TYR 52 2.323 -7.913 11.127 430 HA TYR 52 HA TYR 52 3.980 -6.941 9.903 431 HB2 TYR 52 HB2 TYR 52 3.681 -9.647 9.017 432 HB3 TYR 52 HB1 TYR 52 4.134 -8.649 7.640 433 HD1 TYR 52 HD2 TYR 52 5.125 -8.212 11.197 434 HD2 TYR 52 HD1 TYR 52 6.363 -9.272 7.268 435 HE1 TYR 52 HE2 TYR 52 7.466 -8.245 11.949 436 HE2 TYR 52 HE1 TYR 52 8.707 -9.309 8.009 437 HH TYR 52 HH TYR 52 9.589 -9.176 11.324 438 H CYS 53 HN CYS 53 2.672 -5.114 9.415 439 HA CYS 53 HA CYS 53 2.734 -4.183 6.844 440 HB2 CYS 53 HB2 CYS 53 0.747 -6.164 6.865 441 HB3 CYS 53 HB1 CYS 53 -0.146 -4.658 6.939 442 HG CYS 53 HG CYS 53 0.159 -5.227 4.404 443 H VAL 54 HN VAL 54 2.537 -2.074 7.074 444 HA VAL 54 HA VAL 54 1.879 -0.789 9.417 445 HB VAL 54 HB VAL 54 1.687 1.289 8.122 446 HG11 VAL 54 HG11 VAL 54 3.904 1.007 8.436 447 HG12 VAL 54 HG12 VAL 54 3.906 0.756 6.691 448 HG13 VAL 54 HG13 VAL 54 3.898 -0.630 7.781 449 HG21 VAL 54 HG21 VAL 54 0.430 0.629 6.227 450 HG22 VAL 54 HG22 VAL 54 1.621 -0.592 5.775 451 HG23 VAL 54 HG23 VAL 54 2.013 1.122 5.625 452 H ARG 55 HN ARG 55 0.034 -0.461 10.479 453 HA ARG 55 HA ARG 55 -2.386 0.268 9.157 454 HB2 ARG 55 HB2 ARG 55 -2.010 -2.411 9.142 455 HB3 ARG 55 HB1 ARG 55 -2.836 -2.222 10.682 456 HG2 ARG 55 HG2 ARG 55 -4.509 -2.656 9.086 457 HG3 ARG 55 HG1 ARG 55 -4.609 -0.930 9.438 458 HD2 ARG 55 HD2 ARG 55 -4.706 -0.886 7.151 459 HD3 ARG 55 HD1 ARG 55 -2.965 -0.752 7.394 460 HE ARG 55 HE ARG 55 -2.702 -2.830 6.462 461 HH11 ARG 55 HH11 ARG 55 -6.076 -2.330 7.204 462 HH12 ARG 55 HH12 ARG 55 -6.600 -3.752 6.367 463 HH21 ARG 55 HH21 ARG 55 -3.391 -4.703 5.361 464 HH22 ARG 55 HH22 ARG 55 -5.076 -5.101 5.324 465 H SER 56 HN SER 56 -1.333 -1.343 12.178 466 HA SER 56 HA SER 56 -1.919 0.954 13.763 467 HB2 SER 56 HB2 SER 56 -3.770 -0.172 15.090 468 HB3 SER 56 HB1 SER 56 -4.212 0.400 13.480 469 HG SER 56 HG SER 56 -3.701 -1.843 12.809 470 H ASN 57 HN ASN 57 0.390 -0.439 13.673 471 HA ASN 57 HA ASN 57 0.444 -2.424 15.774 472 HB2 ASN 57 HB2 ASN 57 2.332 -1.414 13.737 473 HB3 ASN 57 HB1 ASN 57 3.058 -1.970 15.242 474 HD21 ASN 57 1HE2 ASN 57 1.784 -2.871 12.263 475 HD22 ASN 57 2HE2 ASN 57 1.753 -4.580 12.509 476 H SER 58 HN SER 58 1.342 0.969 15.380 477 HA SER 58 HA SER 58 2.706 1.083 17.915 478 HB2 SER 58 HB2 SER 58 3.419 2.577 16.151 479 HB3 SER 58 HB1 SER 58 1.801 3.268 16.030 480 HG SER 58 HG SER 58 2.063 4.086 18.135 481 H GLY 59 HN GLY 59 -0.534 1.902 16.765 482 HA2 GLY 59 HA2 GLY 59 -1.887 1.520 19.084 483 HA3 GLY 59 HA1 GLY 59 -1.299 3.169 19.225 484 H ILE 60 HN ILE 60 -2.340 1.575 16.242 485 HA ILE 60 HA ILE 60 -4.019 1.969 14.797 486 HB ILE 60 HB ILE 60 -5.263 1.991 17.260 487 HG12 ILE 60 HG12 ILE 60 -6.494 2.178 14.505 488 HG13 ILE 60 HG11 ILE 60 -5.923 0.708 15.285 489 HG21 ILE 60 HG21 ILE 60 -6.237 4.401 15.728 490 HG22 ILE 60 HG22 ILE 60 -5.374 4.440 17.265 491 HG23 ILE 60 HG23 ILE 60 -6.977 3.714 17.174 492 HD11 ILE 60 HD11 ILE 60 -8.484 1.540 15.285 493 HD12 ILE 60 HD12 ILE 60 -7.917 2.234 16.804 494 HD13 ILE 60 HD13 ILE 60 -7.779 0.499 16.522 495 H ILE 61 HN ILE 61 -3.465 4.816 16.872 496 HA ILE 61 HA ILE 61 -4.129 6.604 14.717 497 HB ILE 61 HB ILE 61 -3.695 6.781 17.597 498 HG12 ILE 61 HG12 ILE 61 -5.167 8.937 16.288 499 HG13 ILE 61 HG11 ILE 61 -5.705 7.341 15.771 500 HG21 ILE 61 HG21 ILE 61 -3.078 9.176 17.599 501 HG22 ILE 61 HG22 ILE 61 -2.763 9.068 15.867 502 HG23 ILE 61 HG23 ILE 61 -1.791 8.128 17.002 503 HD11 ILE 61 HD11 ILE 61 -5.594 6.977 18.437 504 HD12 ILE 61 HD12 ILE 61 -7.034 7.506 17.566 505 HD13 ILE 61 HD13 ILE 61 -5.997 8.692 18.359 506 H ASP 62 HN ASP 62 -1.183 5.478 16.289 507 HA ASP 62 HA ASP 62 0.431 7.383 14.821 508 HB2 ASP 62 HB2 ASP 62 1.221 5.076 16.616 509 HB3 ASP 62 HB1 ASP 62 2.343 6.241 15.920 510 H ALA 63 HN ALA 63 -0.476 4.021 14.693 511 HA ALA 63 HA ALA 63 1.354 3.458 12.502 512 HB1 ALA 63 HB1 ALA 63 -0.250 1.890 14.346 513 HB2 ALA 63 HB2 ALA 63 1.244 1.479 13.503 514 HB3 ALA 63 HB3 ALA 63 -0.308 1.282 12.691 515 H GLY 64 HN GLY 64 -1.875 4.565 12.859 516 HA2 GLY 64 HA2 GLY 64 -2.796 3.552 10.312 517 HA3 GLY 64 HA1 GLY 64 -3.673 4.627 11.388 518 H ALA 65 HN ALA 65 -0.434 5.414 10.372 519 HA ALA 65 HA ALA 65 -1.558 7.563 8.706 520 HB1 ALA 65 HB1 ALA 65 0.900 8.473 9.160 521 HB2 ALA 65 HB2 ALA 65 0.722 7.462 10.595 522 HB3 ALA 65 HB3 ALA 65 -0.435 8.756 10.278 523 H SER 66 HN SER 66 -0.603 4.658 8.095 524 HA SER 66 HA SER 66 0.849 5.422 5.673 525 HB2 SER 66 HB2 SER 66 2.025 4.032 7.897 526 HB3 SER 66 HB1 SER 66 1.995 2.970 6.491 527 HG SER 66 HG SER 66 3.808 4.093 6.186 528 H ILE 67 HN ILE 67 -1.902 4.609 6.106 529 HA ILE 67 HA ILE 67 -2.148 1.870 5.268 530 HB ILE 67 HB ILE 67 -3.880 2.927 6.649 531 HG12 ILE 67 HG12 ILE 67 -5.481 2.465 4.243 532 HG13 ILE 67 HG11 ILE 67 -4.252 1.231 4.496 533 HG21 ILE 67 HG21 ILE 67 -3.586 5.104 5.064 534 HG22 ILE 67 HG22 ILE 67 -4.957 4.829 6.139 535 HG23 ILE 67 HG23 ILE 67 -5.083 4.422 4.427 536 HD11 ILE 67 HD11 ILE 67 -5.751 0.259 5.817 537 HD12 ILE 67 HD12 ILE 67 -6.733 1.719 5.923 538 HD13 ILE 67 HD13 ILE 67 -5.345 1.510 6.991 539 H ASN 68 HN ASN 68 -1.555 4.810 3.679 540 HA ASN 68 HA ASN 68 -1.080 5.200 1.470 541 HB2 ASN 68 HB2 ASN 68 -0.886 2.580 1.360 542 HB3 ASN 68 HB1 ASN 68 -2.439 2.701 0.536 543 HD21 ASN 68 1HE2 ASN 68 -2.169 2.581 -1.592 544 HD22 ASN 68 2HE2 ASN 68 -0.907 3.336 -2.493 545 H VAL 69 HN VAL 69 -4.227 4.270 2.584 546 HA VAL 69 HA VAL 69 -5.599 5.362 0.289 547 HB VAL 69 HB VAL 69 -6.801 4.602 2.950 548 HG11 VAL 69 HG11 VAL 69 -7.937 5.929 0.855 549 HG12 VAL 69 HG12 VAL 69 -8.817 4.949 2.027 550 HG13 VAL 69 HG13 VAL 69 -8.337 4.253 0.480 551 HG21 VAL 69 HG21 VAL 69 -5.451 2.892 1.241 552 HG22 VAL 69 HG22 VAL 69 -7.145 2.683 0.799 553 HG23 VAL 69 HG23 VAL 69 -6.631 2.431 2.467 554 H SER 70 HN SER 70 -4.722 6.402 3.524 555 HA SER 70 HA SER 70 -6.368 8.734 3.525 556 HB2 SER 70 HB2 SER 70 -4.974 9.401 5.490 557 HB3 SER 70 HB1 SER 70 -5.660 7.782 5.638 558 HG SER 70 HG SER 70 -3.696 7.107 5.868 559 H VAL 71 HN VAL 71 -2.995 8.055 2.751 560 HA VAL 71 HA VAL 71 -1.322 9.336 1.872 561 HB VAL 71 HB VAL 71 -1.874 10.455 -0.211 562 HG11 VAL 71 HG11 VAL 71 -2.299 8.544 -1.325 563 HG12 VAL 71 HG12 VAL 71 -3.744 8.186 -0.378 564 HG13 VAL 71 HG13 VAL 71 -2.147 7.821 0.277 565 HG21 VAL 71 HG21 VAL 71 -3.954 11.560 0.649 566 HG22 VAL 71 HG22 VAL 71 -4.783 10.018 0.440 567 HG23 VAL 71 HG23 VAL 71 -4.105 10.852 -0.960 568 H MET 72 HN MET 72 -1.054 11.817 0.863 569 HA MET 72 HA MET 72 -0.734 13.995 1.420 570 HB2 MET 72 HB2 MET 72 -3.439 13.512 1.841 571 HB3 MET 72 HB1 MET 72 -2.916 14.297 3.324 572 HG2 MET 72 HG2 MET 72 -2.771 16.280 2.341 573 HG3 MET 72 HG1 MET 72 -1.874 15.625 0.972 574 HE1 MET 72 HE1 MET 72 -6.187 15.320 1.825 575 HE2 MET 72 HE2 MET 72 -5.940 17.032 1.482 576 HE3 MET 72 HE3 MET 72 -4.981 16.237 2.730 577 H LEU 73 HN LEU 73 0.812 14.707 2.717 578 HA LEU 73 HA LEU 73 2.069 15.130 4.566 579 HB2 LEU 73 HB2 LEU 73 -0.130 13.978 6.264 580 HB3 LEU 73 HB1 LEU 73 1.080 15.164 6.715 581 HG LEU 73 HG LEU 73 -1.067 15.718 4.674 582 HD11 LEU 73 HD11 LEU 73 -2.348 15.355 6.569 583 HD12 LEU 73 HD12 LEU 73 -2.024 17.086 6.646 584 HD13 LEU 73 HD13 LEU 73 -1.103 15.971 7.654 585 HD21 LEU 73 HD21 LEU 73 0.195 17.835 6.299 586 HD22 LEU 73 HD22 LEU 73 -0.284 17.837 4.602 587 HD23 LEU 73 HD23 LEU 73 1.220 17.059 5.091 588 H GLN 74 HN GLN 74 0.246 12.179 5.422 589 HA GLN 74 HA GLN 74 0.929 10.080 5.972 590 HB2 GLN 74 HB2 GLN 74 2.986 10.992 4.042 591 HB3 GLN 74 HB1 GLN 74 3.404 9.595 5.025 592 HG2 GLN 74 HG2 GLN 74 0.739 9.494 3.808 593 HG3 GLN 74 HG1 GLN 74 2.083 9.486 2.668 594 HE21 GLN 74 1HE2 GLN 74 1.556 7.355 2.079 595 HE22 GLN 74 2HE2 GLN 74 1.959 6.014 3.091 596 HA PRO 75 HA PRO 75 3.160 12.015 9.603 597 HB2 PRO 75 HB2 PRO 75 1.494 9.869 10.830 598 HB3 PRO 75 HB1 PRO 75 1.795 11.518 11.389 599 HG2 PRO 75 HG2 PRO 75 -0.523 10.876 10.251 600 HG3 PRO 75 HG1 PRO 75 0.250 12.438 9.924 601 HD2 PRO 75 HD2 PRO 75 0.080 10.010 8.202 602 HD3 PRO 75 HD1 PRO 75 0.068 11.725 7.743 603 H PHE 76 HN PHE 76 2.727 8.730 8.452 604 HA PHE 76 HA PHE 76 4.839 7.679 10.125 605 HB2 PHE 76 HB2 PHE 76 2.668 6.531 8.953 606 HB3 PHE 76 HB1 PHE 76 3.934 6.073 7.821 607 HD1 PHE 76 HD2 PHE 76 3.156 6.082 11.459 608 HD2 PHE 76 HD1 PHE 76 5.220 4.203 8.247 609 HE1 PHE 76 HE2 PHE 76 3.831 4.257 12.965 610 HE2 PHE 76 HE1 PHE 76 5.898 2.374 9.747 611 HZ PHE 76 HZ PHE 76 5.203 2.400 12.110 612 H ASP 77 HN ASP 77 6.150 9.576 9.059 613 HA ASP 77 HA ASP 77 7.741 8.350 6.915 614 HB2 ASP 77 HB2 ASP 77 6.295 10.879 6.846 615 HB3 ASP 77 HB1 ASP 77 8.010 11.085 6.502 616 H TYR 78 HN TYR 78 7.946 8.760 9.947 617 HA TYR 78 HA TYR 78 10.725 9.662 9.881 618 HB2 TYR 78 HB2 TYR 78 8.809 10.649 11.996 619 HB3 TYR 78 HB1 TYR 78 10.486 11.132 11.759 620 HD1 TYR 78 HD2 TYR 78 7.138 11.226 10.135 621 HD2 TYR 78 HD1 TYR 78 11.000 12.985 10.434 622 HE1 TYR 78 HE2 TYR 78 6.393 13.090 8.713 623 HE2 TYR 78 HE1 TYR 78 10.267 14.853 9.014 624 HH TYR 78 HH TYR 78 7.450 15.798 8.527 625 H ASP 79 HN ASP 79 9.583 7.031 10.078 626 HA ASP 79 HA ASP 79 9.282 5.961 12.580 627 HB2 ASP 79 HB2 ASP 79 9.905 4.975 9.976 628 HB3 ASP 79 HB1 ASP 79 10.917 4.140 11.150 629 HA PRO 80 HA PRO 80 13.222 6.925 14.518 630 HB2 PRO 80 HB2 PRO 80 12.619 5.814 16.928 631 HB3 PRO 80 HB1 PRO 80 12.042 7.411 16.441 632 HG2 PRO 80 HG2 PRO 80 10.614 4.782 16.379 633 HG3 PRO 80 HG1 PRO 80 10.015 6.370 16.895 634 HD2 PRO 80 HD2 PRO 80 9.444 5.327 14.467 635 HD3 PRO 80 HD1 PRO 80 9.638 7.073 14.729 636 H ASN 81 HN ASN 81 13.739 5.182 12.821 637 HA ASN 81 HA ASN 81 15.479 3.320 13.821 638 HB2 ASN 81 HB2 ASN 81 13.343 2.218 14.650 639 HB3 ASN 81 HB1 ASN 81 12.928 1.941 12.962 640 HD21 ASN 81 1HE2 ASN 81 12.953 -0.289 14.044 641 HD22 ASN 81 2HE2 ASN 81 14.433 -1.169 13.903 642 H GLU 82 HN GLU 82 16.806 3.115 12.057 643 HA GLU 82 HA GLU 82 16.115 4.017 9.521 644 HB2 GLU 82 HB2 GLU 82 18.465 3.476 10.774 645 HB3 GLU 82 HB1 GLU 82 18.376 2.134 9.642 646 HG2 GLU 82 HG2 GLU 82 18.666 3.455 7.833 647 HG3 GLU 82 HG1 GLU 82 17.810 4.818 8.553 648 H LYS 83 HN LYS 83 16.519 0.677 10.689 649 HA LYS 83 HA LYS 83 15.950 -0.523 8.207 650 HB2 LYS 83 HB2 LYS 83 15.300 -2.529 9.595 651 HB3 LYS 83 HB1 LYS 83 16.907 -1.895 9.916 652 HG2 LYS 83 HG2 LYS 83 15.441 -0.539 11.749 653 HG3 LYS 83 HG1 LYS 83 14.558 -2.063 11.660 654 HD2 LYS 83 HD2 LYS 83 17.513 -1.750 12.185 655 HD3 LYS 83 HD1 LYS 83 16.283 -2.137 13.389 656 HE2 LYS 83 HE2 LYS 83 17.123 -4.225 12.888 657 HE3 LYS 83 HE1 LYS 83 15.741 -4.124 11.799 658 HZ1 LYS 83 HZ1 LYS 83 17.057 -4.054 9.993 659 HZ2 LYS 83 HZ2 LYS 83 18.183 -4.802 11.008 660 HZ3 LYS 83 HZ3 LYS 83 18.260 -3.133 10.747 661 H SER 84 HN SER 84 13.915 0.342 10.968 662 HA SER 84 HA SER 84 11.479 -0.437 9.641 663 HB2 SER 84 HB2 SER 84 12.153 -0.014 12.252 664 HB3 SER 84 HB1 SER 84 11.245 1.452 11.885 665 HG SER 84 HG SER 84 9.612 0.174 12.307 666 H LYS 85 HN LYS 85 13.441 2.356 9.544 667 HA LYS 85 HA LYS 85 11.684 4.446 9.246 668 HB2 LYS 85 HB2 LYS 85 14.081 4.766 9.320 669 HB3 LYS 85 HB1 LYS 85 14.270 3.987 7.757 670 HG2 LYS 85 HG2 LYS 85 13.681 5.835 6.619 671 HG3 LYS 85 HG1 LYS 85 12.449 6.294 7.797 672 HD2 LYS 85 HD2 LYS 85 13.872 7.597 8.962 673 HD3 LYS 85 HD1 LYS 85 15.220 6.476 8.763 674 HE2 LYS 85 HE2 LYS 85 16.052 8.013 7.366 675 HE3 LYS 85 HE1 LYS 85 14.863 7.404 6.216 676 HZ1 LYS 85 HZ1 LYS 85 13.525 9.203 6.503 677 HZ2 LYS 85 HZ2 LYS 85 15.015 9.940 6.817 678 HZ3 LYS 85 HZ3 LYS 85 14.014 9.476 8.099 679 H HIS 86 HN HIS 86 13.202 3.982 6.191 680 HA HIS 86 HA HIS 86 12.426 3.567 4.071 681 HB2 HIS 86 HB2 HIS 86 10.863 1.972 3.799 682 HB3 HIS 86 HB1 HIS 86 10.893 1.865 5.551 683 HD1 HIS 86 HD1 HIS 86 8.710 2.207 6.699 684 HD2 HIS 86 HD2 HIS 86 8.692 3.718 2.828 685 HE1 HIS 86 HE1 HIS 86 6.342 2.935 6.272 686 HE2 HIS 86 HE2 HIS 86 6.337 3.771 3.895 687 H LYS 87 HN LYS 87 10.778 4.368 2.444 688 HA LYS 87 HA LYS 87 9.068 6.575 3.190 689 HB2 LYS 87 HB2 LYS 87 11.784 7.095 2.434 690 HB3 LYS 87 HB1 LYS 87 10.716 7.721 1.186 691 HG2 LYS 87 HG2 LYS 87 9.647 9.177 2.671 692 HG3 LYS 87 HG1 LYS 87 10.264 8.325 4.088 693 HD2 LYS 87 HD2 LYS 87 12.020 9.779 2.116 694 HD3 LYS 87 HD1 LYS 87 11.384 10.518 3.588 695 HE2 LYS 87 HE2 LYS 87 13.268 9.766 4.541 696 HE3 LYS 87 HE1 LYS 87 12.456 8.201 4.546 697 HZ1 LYS 87 HZ1 LYS 87 14.320 7.594 3.461 698 HZ2 LYS 87 HZ2 LYS 87 14.647 9.151 2.886 699 HZ3 LYS 87 HZ3 LYS 87 13.495 8.189 2.108 700 H PHE 88 HN PHE 88 7.778 7.386 1.307 701 HA PHE 88 HA PHE 88 7.110 5.221 -0.423 702 HB2 PHE 88 HB2 PHE 88 5.496 6.966 -1.424 703 HB3 PHE 88 HB1 PHE 88 5.262 6.439 0.238 704 HD1 PHE 88 HD2 PHE 88 6.368 9.195 -1.915 705 HD2 PHE 88 HD1 PHE 88 5.557 7.948 2.072 706 HE1 PHE 88 HE2 PHE 88 6.432 11.540 -1.173 707 HE2 PHE 88 HE1 PHE 88 5.616 10.291 2.820 708 HZ PHE 88 HZ PHE 88 6.055 12.090 1.197 709 H MET 89 HN MET 89 8.404 8.512 -1.306 710 HA MET 89 HA MET 89 8.653 7.668 -4.063 711 HB2 MET 89 HB2 MET 89 9.066 10.198 -2.593 712 HB3 MET 89 HB1 MET 89 10.294 9.926 -3.814 713 HG2 MET 89 HG2 MET 89 8.462 9.700 -5.527 714 HG3 MET 89 HG1 MET 89 7.297 10.126 -4.276 715 HE1 MET 89 HE1 MET 89 7.005 13.591 -5.956 716 HE2 MET 89 HE2 MET 89 6.482 11.926 -6.193 717 HE3 MET 89 HE3 MET 89 7.772 12.598 -7.193 718 H VAL 90 HN VAL 90 10.626 7.925 -1.228 719 HA VAL 90 HA VAL 90 13.164 7.179 -2.341 720 HB VAL 90 HB VAL 90 12.502 7.060 0.572 721 HG11 VAL 90 HG11 VAL 90 14.942 7.364 -1.103 722 HG12 VAL 90 HG12 VAL 90 14.667 6.360 0.321 723 HG13 VAL 90 HG13 VAL 90 14.912 8.098 0.500 724 HG21 VAL 90 HG21 VAL 90 11.611 9.162 0.043 725 HG22 VAL 90 HG22 VAL 90 12.871 9.493 -1.147 726 HG23 VAL 90 HG23 VAL 90 13.258 9.506 0.574 727 H GLN 91 HN GLN 91 10.496 5.266 -1.437 728 HA GLN 91 HA GLN 91 11.604 3.138 -0.091 729 HB2 GLN 91 HB2 GLN 91 9.180 3.705 -1.440 730 HB3 GLN 91 HB1 GLN 91 9.699 2.112 -1.967 731 HG2 GLN 91 HG2 GLN 91 9.503 1.203 0.132 732 HG3 GLN 91 HG1 GLN 91 9.697 2.757 0.940 733 HE21 GLN 91 1HE2 GLN 91 7.748 1.343 1.907 734 HE22 GLN 91 2HE2 GLN 91 6.198 1.877 1.362 735 H SER 92 HN SER 92 12.252 3.925 -3.383 736 HA SER 92 HA SER 92 12.784 1.318 -4.356 737 HB2 SER 92 HB2 SER 92 14.363 2.839 -5.921 738 HB3 SER 92 HB1 SER 92 12.620 2.712 -6.133 739 HG SER 92 HG SER 92 12.656 4.794 -5.865 740 H MET 93 HN MET 93 14.564 3.254 -2.189 741 HA MET 93 HA MET 93 17.170 2.370 -2.894 742 HB2 MET 93 HB2 MET 93 16.052 4.322 -1.186 743 HB3 MET 93 HB1 MET 93 17.038 3.273 -0.176 744 HG2 MET 93 HG2 MET 93 18.079 4.437 -2.734 745 HG3 MET 93 HG1 MET 93 18.146 5.319 -1.209 746 HE1 MET 93 HE1 MET 93 19.691 3.210 -3.587 747 HE2 MET 93 HE2 MET 93 19.419 1.670 -2.773 748 HE3 MET 93 HE3 MET 93 21.035 2.374 -2.811 749 H PHE 94 HN PHE 94 14.938 1.565 -0.244 750 HA PHE 94 HA PHE 94 16.763 -0.423 0.745 751 HB2 PHE 94 HB2 PHE 94 15.318 -0.760 2.533 752 HB3 PHE 94 HB1 PHE 94 15.086 0.933 2.129 753 HD1 PHE 94 HD1 PHE 94 13.607 -2.412 1.330 754 HD2 PHE 94 HD2 PHE 94 12.954 1.731 2.045 755 HE1 PHE 94 HE1 PHE 94 11.181 -2.780 1.212 756 HE2 PHE 94 HE2 PHE 94 10.528 1.366 1.933 757 HZ PHE 94 HZ PHE 94 9.635 -0.888 1.513 758 H ALA 95 HN ALA 95 14.619 -0.481 -1.832 759 HA ALA 95 HA ALA 95 15.139 -2.981 -2.699 760 HB1 ALA 95 HB1 ALA 95 12.855 -4.118 -1.914 761 HB2 ALA 95 HB2 ALA 95 13.172 -3.116 -0.498 762 HB3 ALA 95 HB3 ALA 95 14.370 -4.296 -1.029 763 HA PRO 96 HA PRO 96 10.296 -2.120 -4.085 764 HB2 PRO 96 HB2 PRO 96 10.906 0.732 -3.375 765 HB3 PRO 96 HB1 PRO 96 9.336 -0.060 -3.552 766 HG2 PRO 96 HG2 PRO 96 10.570 0.253 -1.144 767 HG3 PRO 96 HG1 PRO 96 9.466 -1.082 -1.505 768 HD2 PRO 96 HD2 PRO 96 12.297 -1.201 -0.970 769 HD3 PRO 96 HD1 PRO 96 11.181 -2.542 -1.273 770 H THR 97 HN THR 97 11.844 -2.785 -5.826 771 HA THR 97 HA THR 97 13.105 -0.862 -7.492 772 HB THR 97 HB THR 97 12.202 -3.703 -8.006 773 HG1 THR 97 HG1 THR 97 14.678 -2.499 -7.370 774 HG21 THR 97 HG21 THR 97 14.225 -3.166 -9.793 775 HG22 THR 97 HG22 THR 97 13.187 -1.745 -9.900 776 HG23 THR 97 HG23 THR 97 12.513 -3.351 -10.175 777 H ASP 98 HN ASP 98 9.900 -1.851 -7.013 778 HA ASP 98 HA ASP 98 8.671 -1.577 -9.444 779 HB2 ASP 98 HB2 ASP 98 6.632 -0.938 -8.098 780 HB3 ASP 98 HB1 ASP 98 7.427 -2.435 -7.623 781 H THR 99 HN THR 99 10.091 0.970 -7.564 782 HA THR 99 HA THR 99 8.469 3.124 -8.288 783 HB THR 99 HB THR 99 10.439 4.547 -7.939 784 HG1 THR 99 HG1 THR 99 11.822 2.079 -7.976 785 HG21 THR 99 HG21 THR 99 10.683 2.376 -5.903 786 HG22 THR 99 HG22 THR 99 9.232 3.376 -5.995 787 HG23 THR 99 HG23 THR 99 10.803 4.122 -5.697 788 H SER 100 HN SER 100 11.355 1.862 -9.991 789 HA SER 100 HA SER 100 10.992 3.578 -12.249 790 HB2 SER 100 HB2 SER 100 12.426 0.958 -12.487 791 HB3 SER 100 HB1 SER 100 12.855 2.532 -13.159 792 HG SER 100 HG SER 100 13.263 3.152 -10.904 793 H ASP 101 HN ASP 101 9.698 0.624 -11.151 794 HA ASP 101 HA ASP 101 8.778 -0.485 -13.575 795 HB2 ASP 101 HB2 ASP 101 9.061 -1.644 -11.313 796 HB3 ASP 101 HB1 ASP 101 7.495 -0.954 -10.899 797 H MET 102 HN MET 102 7.624 2.160 -11.688 798 HA MET 102 HA MET 102 4.885 2.031 -12.027 799 HB2 MET 102 HB2 MET 102 6.855 4.246 -11.766 800 HB3 MET 102 HB1 MET 102 5.268 4.687 -12.372 801 HG2 MET 102 HG2 MET 102 4.378 4.599 -10.344 802 HG3 MET 102 HG1 MET 102 5.055 3.000 -10.039 803 HE1 MET 102 HE1 MET 102 4.897 6.528 -9.396 804 HE2 MET 102 HE2 MET 102 6.319 7.005 -8.470 805 HE3 MET 102 HE3 MET 102 5.074 6.007 -7.720 806 H GLU 103 HN GLU 103 7.214 3.595 -14.261 807 HA GLU 103 HA GLU 103 5.248 3.973 -16.302 808 HB2 GLU 103 HB2 GLU 103 7.228 4.495 -17.744 809 HB3 GLU 103 HB1 GLU 103 7.137 5.453 -16.273 810 HG2 GLU 103 HG2 GLU 103 9.231 4.875 -15.865 811 HG3 GLU 103 HG1 GLU 103 8.658 3.234 -15.574 812 H ALA 104 HN ALA 104 7.619 1.554 -15.507 813 HA ALA 104 HA ALA 104 7.536 0.074 -17.911 814 HB1 ALA 104 HB1 ALA 104 8.917 -0.026 -15.423 815 HB2 ALA 104 HB2 ALA 104 9.339 -0.769 -16.964 816 HB3 ALA 104 HB3 ALA 104 8.317 -1.637 -15.820 817 H VAL 105 HN VAL 105 5.381 0.103 -15.187 818 HA VAL 105 HA VAL 105 4.463 -2.515 -15.187 819 HB VAL 105 HB VAL 105 2.903 0.015 -14.646 820 HG11 VAL 105 HG11 VAL 105 1.355 -1.782 -15.163 821 HG12 VAL 105 HG12 VAL 105 1.313 -1.422 -13.438 822 HG13 VAL 105 HG13 VAL 105 2.175 -2.846 -14.020 823 HG21 VAL 105 HG21 VAL 105 4.854 -1.515 -13.148 824 HG22 VAL 105 HG22 VAL 105 3.328 -1.368 -12.279 825 HG23 VAL 105 HG23 VAL 105 4.178 0.079 -12.819 826 H TRP 106 HN TRP 106 3.063 0.222 -17.029 827 HA TRP 106 HA TRP 106 1.355 -1.599 -18.486 828 HB2 TRP 106 HB2 TRP 106 1.100 1.023 -17.796 829 HB3 TRP 106 HB1 TRP 106 1.615 1.169 -19.473 830 HD1 TRP 106 HD1 TRP 106 -1.123 -0.709 -17.457 831 HE1 TRP 106 HE1 TRP 106 -3.231 -0.841 -18.927 832 HE3 TRP 106 HE3 TRP 106 0.707 1.480 -21.701 833 HZ2 TRP 106 HZ2 TRP 106 -4.015 -0.114 -21.541 834 HZ3 TRP 106 HZ3 TRP 106 -0.788 1.724 -23.641 835 HH2 TRP 106 HH2 TRP 106 -3.099 0.942 -23.560 836 H LYS 107 HN LYS 107 4.503 -0.307 -18.888 837 HA LYS 107 HA LYS 107 4.490 -0.649 -21.775 838 HB2 LYS 107 HB2 LYS 107 6.313 0.565 -19.784 839 HB3 LYS 107 HB1 LYS 107 7.073 -0.132 -21.208 840 HG2 LYS 107 HG2 LYS 107 6.259 1.456 -22.590 841 HG3 LYS 107 HG1 LYS 107 4.748 1.618 -21.694 842 HD2 LYS 107 HD2 LYS 107 5.618 3.154 -20.235 843 HD3 LYS 107 HD1 LYS 107 7.262 2.532 -20.393 844 HE2 LYS 107 HE2 LYS 107 7.542 4.420 -21.605 845 HE3 LYS 107 HE1 LYS 107 6.885 3.413 -22.894 846 HZ1 LYS 107 HZ1 LYS 107 4.656 4.302 -22.276 847 HZ2 LYS 107 HZ2 LYS 107 5.715 5.459 -22.908 848 HZ3 LYS 107 HZ3 LYS 107 5.426 5.399 -21.243 849 H GLU 108 HN GLU 108 6.374 -1.949 -19.036 850 HA GLU 108 HA GLU 108 7.551 -4.007 -20.632 851 HB2 GLU 108 HB2 GLU 108 7.438 -3.730 -17.625 852 HB3 GLU 108 HB1 GLU 108 8.482 -4.824 -18.521 853 HG2 GLU 108 HG2 GLU 108 9.463 -2.787 -19.633 854 HG3 GLU 108 HG1 GLU 108 8.582 -1.826 -18.447 855 H ALA 109 HN ALA 109 4.517 -3.725 -19.128 856 HA ALA 109 HA ALA 109 2.744 -5.165 -19.103 857 HB1 ALA 109 HB1 ALA 109 4.536 -7.363 -20.096 858 HB2 ALA 109 HB2 ALA 109 3.843 -6.142 -21.162 859 HB3 ALA 109 HB3 ALA 109 2.786 -7.221 -20.251 860 H LYS 110 HN LYS 110 2.104 -7.381 -18.094 861 HA LYS 110 HA LYS 110 2.667 -7.313 -15.402 862 HB2 LYS 110 HB2 LYS 110 0.699 -8.397 -16.244 863 HB3 LYS 110 HB1 LYS 110 1.657 -9.592 -17.099 864 HG2 LYS 110 HG2 LYS 110 2.092 -9.445 -14.189 865 HG3 LYS 110 HG1 LYS 110 0.510 -10.025 -14.715 866 HD2 LYS 110 HD2 LYS 110 3.090 -11.120 -15.807 867 HD3 LYS 110 HD1 LYS 110 2.299 -11.788 -14.378 868 HE2 LYS 110 HE2 LYS 110 0.821 -11.437 -16.965 869 HE3 LYS 110 HE1 LYS 110 1.809 -12.866 -16.662 870 HZ1 LYS 110 HZ1 LYS 110 0.477 -13.205 -14.607 871 HZ2 LYS 110 HZ2 LYS 110 -0.415 -13.359 -16.035 872 HZ3 LYS 110 HZ3 LYS 110 -0.545 -11.953 -15.105 873 HA PRO 111 HA PRO 111 5.600 -11.283 -16.225 874 HB2 PRO 111 HB2 PRO 111 6.878 -9.958 -18.588 875 HB3 PRO 111 HB1 PRO 111 6.706 -11.676 -18.215 876 HG2 PRO 111 HG2 PRO 111 5.089 -10.513 -19.974 877 HG3 PRO 111 HG1 PRO 111 4.473 -11.728 -18.838 878 HD2 PRO 111 HD2 PRO 111 4.116 -8.778 -18.838 879 HD3 PRO 111 HD1 PRO 111 3.023 -10.047 -18.255 880 H GLU 112 HN GLU 112 6.588 -7.943 -17.045 881 HA GLU 112 HA GLU 112 9.097 -8.208 -15.698 882 HB2 GLU 112 HB2 GLU 112 7.753 -6.208 -17.304 883 HB3 GLU 112 HB1 GLU 112 8.557 -5.481 -15.919 884 HG2 GLU 112 HG2 GLU 112 10.152 -5.443 -17.618 885 HG3 GLU 112 HG1 GLU 112 10.608 -6.817 -16.614 886 H ASP 113 HN ASP 113 5.921 -7.004 -14.814 887 HA ASP 113 HA ASP 113 6.671 -5.671 -12.447 888 HB2 ASP 113 HB2 ASP 113 4.437 -5.566 -13.723 889 HB3 ASP 113 HB1 ASP 113 4.006 -7.019 -12.823 890 H LEU 114 HN LEU 114 5.947 -9.031 -13.134 891 HA LEU 114 HA LEU 114 5.526 -9.999 -10.565 892 HB2 LEU 114 HB2 LEU 114 7.056 -11.452 -12.717 893 HB3 LEU 114 HB1 LEU 114 6.142 -12.163 -11.400 894 HG LEU 114 HG LEU 114 4.840 -10.490 -13.529 895 HD11 LEU 114 HD11 LEU 114 4.753 -13.467 -13.590 896 HD12 LEU 114 HD12 LEU 114 6.138 -12.632 -14.294 897 HD13 LEU 114 HD13 LEU 114 4.512 -12.304 -14.894 898 HD21 LEU 114 HD21 LEU 114 3.459 -12.683 -12.113 899 HD22 LEU 114 HD22 LEU 114 2.866 -11.098 -12.608 900 HD23 LEU 114 HD23 LEU 114 3.860 -11.254 -11.160 901 H MET 115 HN MET 115 8.518 -9.210 -12.218 902 HA MET 115 HA MET 115 10.245 -10.367 -10.273 903 HB2 MET 115 HB2 MET 115 10.579 -8.506 -12.584 904 HB3 MET 115 HB1 MET 115 11.877 -8.617 -11.403 905 HG2 MET 115 HG2 MET 115 11.254 -11.252 -11.943 906 HG3 MET 115 HG1 MET 115 11.110 -10.454 -13.507 907 HE1 MET 115 HE1 MET 115 12.977 -10.704 -10.362 908 HE2 MET 115 HE2 MET 115 14.556 -9.989 -10.686 909 HE3 MET 115 HE3 MET 115 14.299 -11.714 -10.947 910 H ASP 116 HN ASP 116 8.786 -7.201 -10.723 911 HA ASP 116 HA ASP 116 10.309 -5.911 -8.676 912 HB2 ASP 116 HB2 ASP 116 7.819 -5.198 -10.207 913 HB3 ASP 116 HB1 ASP 116 8.366 -4.206 -8.859 914 H SER 117 HN SER 117 7.213 -7.541 -8.860 915 HA SER 117 HA SER 117 6.297 -6.850 -6.264 916 HB2 SER 117 HB2 SER 117 5.514 -9.350 -7.710 917 HB3 SER 117 HB1 SER 117 4.519 -8.320 -6.680 918 HG SER 117 HG SER 117 5.291 -7.968 -9.355 919 H LYS 118 HN LYS 118 7.810 -9.774 -7.599 920 HA LYS 118 HA LYS 118 7.853 -11.218 -5.181 921 HB2 LYS 118 HB2 LYS 118 9.591 -11.429 -7.645 922 HB3 LYS 118 HB1 LYS 118 9.630 -12.582 -6.318 923 HG2 LYS 118 HG2 LYS 118 6.929 -12.293 -7.106 924 HG3 LYS 118 HG1 LYS 118 7.894 -12.504 -8.569 925 HD2 LYS 118 HD2 LYS 118 7.430 -14.691 -7.976 926 HD3 LYS 118 HD1 LYS 118 9.010 -14.437 -7.232 927 HE2 LYS 118 HE2 LYS 118 7.673 -15.504 -5.599 928 HE3 LYS 118 HE1 LYS 118 7.781 -13.812 -5.120 929 HZ1 LYS 118 HZ1 LYS 118 5.582 -13.704 -6.554 930 HZ2 LYS 118 HZ2 LYS 118 5.561 -14.109 -4.912 931 HZ3 LYS 118 HZ3 LYS 118 5.481 -15.326 -6.084 932 H LEU 119 HN LEU 119 9.905 -8.795 -6.552 933 HA LEU 119 HA LEU 119 12.150 -9.243 -4.833 934 HB2 LEU 119 HB2 LEU 119 12.176 -8.033 -7.052 935 HB3 LEU 119 HB1 LEU 119 11.446 -6.668 -6.227 936 HG LEU 119 HG LEU 119 13.572 -7.071 -4.624 937 HD11 LEU 119 HD11 LEU 119 15.454 -7.847 -5.700 938 HD12 LEU 119 HD12 LEU 119 14.777 -7.581 -7.306 939 HD13 LEU 119 HD13 LEU 119 14.215 -8.935 -6.325 940 HD21 LEU 119 HD21 LEU 119 14.209 -5.552 -7.067 941 HD22 LEU 119 HD22 LEU 119 14.238 -5.053 -5.376 942 HD23 LEU 119 HD23 LEU 119 12.708 -5.109 -6.253 943 H ARG 120 HN ARG 120 9.554 -6.806 -4.828 944 HA ARG 120 HA ARG 120 10.381 -5.653 -2.355 945 HB2 ARG 120 HB2 ARG 120 8.929 -4.644 -4.277 946 HB3 ARG 120 HB1 ARG 120 7.591 -5.402 -3.423 947 HG2 ARG 120 HG2 ARG 120 8.746 -4.138 -1.369 948 HG3 ARG 120 HG1 ARG 120 9.241 -3.067 -2.683 949 HD2 ARG 120 HD2 ARG 120 7.223 -2.144 -2.700 950 HD3 ARG 120 HD1 ARG 120 6.500 -3.712 -3.059 951 HE ARG 120 HE ARG 120 6.878 -3.827 -0.392 952 HH11 ARG 120 HH11 ARG 120 5.374 -1.457 -2.467 953 HH12 ARG 120 HH12 ARG 120 4.248 -0.932 -1.260 954 HH21 ARG 120 HH21 ARG 120 5.397 -3.137 1.196 955 HH22 ARG 120 HH22 ARG 120 4.260 -1.886 0.820 956 H CYS 121 HN CYS 121 8.016 -8.081 -3.285 957 HA CYS 121 HA CYS 121 6.703 -8.273 -0.795 958 HB2 CYS 121 HB2 CYS 121 6.956 -10.164 -3.126 959 HB3 CYS 121 HB1 CYS 121 6.026 -10.571 -1.688 960 HG CYS 121 HG CYS 121 5.259 -8.040 -3.312 961 H VAL 122 HN VAL 122 9.592 -9.840 -2.071 962 HA VAL 122 HA VAL 122 9.762 -11.747 0.059 963 HB VAL 122 HB VAL 122 10.804 -12.150 -2.151 964 HG11 VAL 122 HG11 VAL 122 12.671 -9.954 -1.280 965 HG12 VAL 122 HG12 VAL 122 11.664 -10.007 -2.724 966 HG13 VAL 122 HG13 VAL 122 13.039 -11.096 -2.570 967 HG21 VAL 122 HG21 VAL 122 12.536 -12.224 0.305 968 HG22 VAL 122 HG22 VAL 122 13.024 -12.957 -1.223 969 HG23 VAL 122 HG23 VAL 122 11.572 -13.523 -0.397 970 H PHE 123 HN PHE 123 11.133 -8.564 -0.553 971 HA PHE 123 HA PHE 123 12.946 -8.597 1.638 972 HB2 PHE 123 HB2 PHE 123 12.035 -6.663 -0.369 973 HB3 PHE 123 HB1 PHE 123 12.412 -5.931 1.188 974 HD1 PHE 123 HD1 PHE 123 14.677 -6.067 2.107 975 HD2 PHE 123 HD2 PHE 123 13.743 -7.587 -1.758 976 HE1 PHE 123 HE1 PHE 123 17.074 -6.123 1.554 977 HE2 PHE 123 HE2 PHE 123 16.139 -7.646 -2.317 978 HZ PHE 123 HZ PHE 123 17.807 -6.914 -0.661 979 H GLU 124 HN GLU 124 9.650 -7.396 1.203 980 HA GLU 124 HA GLU 124 9.422 -6.209 3.767 981 HB2 GLU 124 HB2 GLU 124 7.918 -6.145 1.510 982 HB3 GLU 124 HB1 GLU 124 6.958 -7.235 2.501 983 HG2 GLU 124 HG2 GLU 124 6.111 -5.072 2.874 984 HG3 GLU 124 HG1 GLU 124 7.045 -5.492 4.309 985 H LEU 125 HN LEU 125 8.309 -9.330 2.472 986 HA LEU 125 HA LEU 125 7.802 -11.302 3.484 987 HB2 LEU 125 HB2 LEU 125 10.029 -10.405 4.778 988 HB3 LEU 125 HB1 LEU 125 8.912 -10.593 6.115 989 HG LEU 125 HG LEU 125 9.755 -12.742 4.172 990 HD11 LEU 125 HD11 LEU 125 10.363 -13.649 6.636 991 HD12 LEU 125 HD12 LEU 125 10.619 -11.919 6.861 992 HD13 LEU 125 HD13 LEU 125 11.496 -12.783 5.598 993 HD21 LEU 125 HD21 LEU 125 7.474 -13.146 4.710 994 HD22 LEU 125 HD22 LEU 125 7.745 -12.774 6.412 995 HD23 LEU 125 HD23 LEU 125 8.444 -14.231 5.706 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -12.322 13.481 2.289 2 H2 MET 1 HT2 MET 1 -12.705 11.817 2.461 3 H3 MET 1 HT3 MET 1 -13.807 13.014 3.008 4 HA MET 1 HA MET 1 -14.337 11.894 0.868 5 HB2 MET 1 HB2 MET 1 -14.213 14.804 1.478 6 HB3 MET 1 HB1 MET 1 -14.674 14.345 -0.156 7 HG2 MET 1 HG2 MET 1 -16.267 12.708 1.269 8 HG3 MET 1 HG1 MET 1 -16.141 14.073 2.375 9 HE1 MET 1 HE1 MET 1 -18.077 12.528 -0.318 10 HE2 MET 1 HE2 MET 1 -19.311 13.775 -0.500 11 HE3 MET 1 HE3 MET 1 -18.945 13.122 1.098 12 H ALA 2 HN ALA 2 -12.955 10.851 -0.474 13 HA ALA 2 HA ALA 2 -10.914 12.445 -1.867 14 HB1 ALA 2 HB1 ALA 2 -9.547 10.655 -1.867 15 HB2 ALA 2 HB2 ALA 2 -10.861 9.518 -2.169 16 HB3 ALA 2 HB3 ALA 2 -10.572 10.119 -0.536 17 H LYS 3 HN LYS 3 -10.485 10.789 -4.046 18 HA LYS 3 HA LYS 3 -12.916 11.302 -5.599 19 HB2 LYS 3 HB2 LYS 3 -11.295 10.876 -7.560 20 HB3 LYS 3 HB1 LYS 3 -11.124 12.368 -6.648 21 HG2 LYS 3 HG2 LYS 3 -9.263 11.430 -5.409 22 HG3 LYS 3 HG1 LYS 3 -9.459 9.891 -6.249 23 HD2 LYS 3 HD2 LYS 3 -7.920 10.709 -7.666 24 HD3 LYS 3 HD1 LYS 3 -9.263 11.638 -8.334 25 HE2 LYS 3 HE2 LYS 3 -7.734 12.724 -6.011 26 HE3 LYS 3 HE1 LYS 3 -7.039 12.826 -7.627 27 HZ1 LYS 3 HZ1 LYS 3 -8.661 14.255 -8.337 28 HZ2 LYS 3 HZ2 LYS 3 -8.531 14.731 -6.720 29 HZ3 LYS 3 HZ3 LYS 3 -9.802 13.727 -7.205 30 H VAL 4 HN VAL 4 -13.976 9.403 -4.758 31 HA VAL 4 HA VAL 4 -13.072 6.804 -4.888 32 HB VAL 4 HB VAL 4 -15.483 6.132 -5.110 33 HG11 VAL 4 HG11 VAL 4 -14.129 6.929 -2.972 34 HG12 VAL 4 HG12 VAL 4 -15.833 6.482 -2.891 35 HG13 VAL 4 HG13 VAL 4 -15.370 8.182 -2.971 36 HG21 VAL 4 HG21 VAL 4 -16.439 7.875 -6.387 37 HG22 VAL 4 HG22 VAL 4 -15.830 9.116 -5.291 38 HG23 VAL 4 HG23 VAL 4 -17.119 8.035 -4.768 39 H GLU 5 HN GLU 5 -13.986 8.868 -7.515 40 HA GLU 5 HA GLU 5 -14.554 6.780 -9.384 41 HB2 GLU 5 HB2 GLU 5 -13.726 9.613 -10.015 42 HB3 GLU 5 HB1 GLU 5 -14.631 8.509 -11.042 43 HG2 GLU 5 HG2 GLU 5 -15.625 9.593 -8.418 44 HG3 GLU 5 HG1 GLU 5 -16.010 10.276 -9.995 45 H GLN 6 HN GLN 6 -11.751 8.912 -8.855 46 HA GLN 6 HA GLN 6 -10.151 7.702 -10.869 47 HB2 GLN 6 HB2 GLN 6 -9.851 9.795 -8.854 48 HB3 GLN 6 HB1 GLN 6 -8.379 8.861 -9.075 49 HG2 GLN 6 HG2 GLN 6 -9.138 9.344 -11.653 50 HG3 GLN 6 HG1 GLN 6 -9.651 10.817 -10.832 51 HE21 GLN 6 1HE2 GLN 6 -8.139 12.242 -11.509 52 HE22 GLN 6 2HE2 GLN 6 -6.438 12.066 -11.248 53 H VAL 7 HN VAL 7 -10.487 7.223 -7.395 54 HA VAL 7 HA VAL 7 -8.343 5.299 -7.277 55 HB VAL 7 HB VAL 7 -8.944 5.040 -4.919 56 HG11 VAL 7 HG11 VAL 7 -8.560 7.421 -4.239 57 HG12 VAL 7 HG12 VAL 7 -8.731 7.866 -5.937 58 HG13 VAL 7 HG13 VAL 7 -7.421 6.799 -5.433 59 HG21 VAL 7 HG21 VAL 7 -11.384 6.418 -5.819 60 HG22 VAL 7 HG22 VAL 7 -10.734 6.949 -4.267 61 HG23 VAL 7 HG23 VAL 7 -11.151 5.254 -4.516 62 H LEU 8 HN LEU 8 -11.713 5.134 -7.956 63 HA LEU 8 HA LEU 8 -12.411 2.667 -6.874 64 HB2 LEU 8 HB2 LEU 8 -13.434 4.441 -8.918 65 HB3 LEU 8 HB1 LEU 8 -13.659 2.765 -9.380 66 HG LEU 8 HG LEU 8 -14.540 3.808 -6.698 67 HD11 LEU 8 HD11 LEU 8 -16.488 4.595 -7.510 68 HD12 LEU 8 HD12 LEU 8 -16.552 3.406 -8.812 69 HD13 LEU 8 HD13 LEU 8 -15.535 4.838 -8.974 70 HD21 LEU 8 HD21 LEU 8 -14.264 1.272 -7.535 71 HD22 LEU 8 HD22 LEU 8 -15.903 1.599 -8.096 72 HD23 LEU 8 HD23 LEU 8 -15.501 1.790 -6.390 73 H SER 9 HN SER 9 -11.006 3.354 -10.069 74 HA SER 9 HA SER 9 -10.116 1.957 -11.661 75 HB2 SER 9 HB2 SER 9 -8.175 0.715 -10.806 76 HB3 SER 9 HB1 SER 9 -8.268 2.324 -10.092 77 HG SER 9 HG SER 9 -9.137 1.389 -8.216 78 H LEU 10 HN LEU 10 -12.634 0.864 -10.413 79 HA LEU 10 HA LEU 10 -12.157 -1.983 -10.328 80 HB2 LEU 10 HB2 LEU 10 -14.349 -0.206 -9.623 81 HB3 LEU 10 HB1 LEU 10 -14.880 -1.686 -10.402 82 HG LEU 10 HG LEU 10 -12.892 -2.131 -8.299 83 HD11 LEU 10 HD11 LEU 10 -13.788 -0.564 -6.922 84 HD12 LEU 10 HD12 LEU 10 -14.943 -1.864 -6.626 85 HD13 LEU 10 HD13 LEU 10 -15.346 -0.565 -7.748 86 HD21 LEU 10 HD21 LEU 10 -14.511 -3.865 -7.664 87 HD22 LEU 10 HD22 LEU 10 -14.101 -3.936 -9.377 88 HD23 LEU 10 HD23 LEU 10 -15.639 -3.240 -8.868 89 H GLU 11 HN GLU 11 -12.956 0.288 -12.794 90 HA GLU 11 HA GLU 11 -14.506 -1.408 -14.449 91 HB2 GLU 11 HB2 GLU 11 -13.162 1.169 -14.701 92 HB3 GLU 11 HB1 GLU 11 -13.059 0.229 -16.183 93 HG2 GLU 11 HG2 GLU 11 -15.040 1.144 -16.643 94 HG3 GLU 11 HG1 GLU 11 -15.674 -0.086 -15.550 95 HA PRO 12 HA PRO 12 -10.393 -2.982 -16.179 96 HB2 PRO 12 HB2 PRO 12 -8.084 -1.771 -15.599 97 HB3 PRO 12 HB1 PRO 12 -9.214 -1.037 -16.743 98 HG2 PRO 12 HG2 PRO 12 -8.572 -0.250 -13.965 99 HG3 PRO 12 HG1 PRO 12 -9.177 0.739 -15.303 100 HD2 PRO 12 HD2 PRO 12 -10.675 -0.447 -13.156 101 HD3 PRO 12 HD1 PRO 12 -11.282 0.543 -14.495 102 H GLN 13 HN GLN 13 -10.177 -4.933 -15.102 103 HA GLN 13 HA GLN 13 -9.922 -5.118 -12.315 104 HB2 GLN 13 HB2 GLN 13 -10.480 -6.891 -14.291 105 HB3 GLN 13 HB1 GLN 13 -8.831 -7.367 -13.910 106 HG2 GLN 13 HG2 GLN 13 -9.717 -8.623 -12.310 107 HG3 GLN 13 HG1 GLN 13 -9.984 -7.119 -11.430 108 HE21 GLN 13 1HE2 GLN 13 -11.681 -8.631 -10.525 109 HE22 GLN 13 2HE2 GLN 13 -13.230 -8.598 -11.289 110 H HIS 14 HN HIS 14 -7.576 -4.499 -14.754 111 HA HIS 14 HA HIS 14 -5.333 -4.157 -14.707 112 HB2 HIS 14 HB2 HIS 14 -6.077 -3.771 -11.827 113 HB3 HIS 14 HB1 HIS 14 -4.391 -3.694 -12.326 114 HD1 HIS 14 HD1 HIS 14 -6.257 -2.373 -15.047 115 HD2 HIS 14 HD2 HIS 14 -5.072 -0.909 -11.344 116 HE1 HIS 14 HE1 HIS 14 -6.410 0.129 -15.234 117 HE2 HIS 14 HE2 HIS 14 -5.605 0.997 -13.010 118 H GLU 15 HN GLU 15 -3.548 -5.401 -14.815 119 HA GLU 15 HA GLU 15 -3.403 -7.782 -13.109 120 HB2 GLU 15 HB2 GLU 15 -2.601 -9.068 -15.117 121 HB3 GLU 15 HB1 GLU 15 -4.303 -8.625 -15.149 122 HG2 GLU 15 HG2 GLU 15 -3.758 -6.732 -16.622 123 HG3 GLU 15 HG1 GLU 15 -2.072 -7.246 -16.625 124 H LEU 16 HN LEU 16 -1.960 -5.575 -12.495 125 HA LEU 16 HA LEU 16 0.565 -5.403 -13.748 126 HB2 LEU 16 HB2 LEU 16 -0.432 -4.567 -11.033 127 HB3 LEU 16 HB1 LEU 16 1.232 -4.316 -11.525 128 HG LEU 16 HG LEU 16 0.309 -3.018 -13.510 129 HD11 LEU 16 HD11 LEU 16 -1.950 -2.063 -13.161 130 HD12 LEU 16 HD12 LEU 16 -2.192 -3.207 -11.841 131 HD13 LEU 16 HD13 LEU 16 -1.962 -3.795 -13.488 132 HD21 LEU 16 HD21 LEU 16 1.123 -2.205 -11.096 133 HD22 LEU 16 HD22 LEU 16 -0.531 -1.592 -11.060 134 HD23 LEU 16 HD23 LEU 16 0.566 -1.093 -12.347 135 H LYS 17 HN LYS 17 0.943 -5.970 -10.365 136 HA LYS 17 HA LYS 17 2.853 -8.003 -10.761 137 HB2 LYS 17 HB2 LYS 17 2.714 -8.313 -8.297 138 HB3 LYS 17 HB1 LYS 17 2.918 -6.632 -8.772 139 HG2 LYS 17 HG2 LYS 17 0.968 -6.015 -7.877 140 HG3 LYS 17 HG1 LYS 17 0.126 -7.442 -8.480 141 HD2 LYS 17 HD2 LYS 17 0.364 -8.535 -6.538 142 HD3 LYS 17 HD1 LYS 17 2.050 -8.043 -6.369 143 HE2 LYS 17 HE2 LYS 17 0.263 -5.805 -5.993 144 HE3 LYS 17 HE1 LYS 17 -0.129 -7.126 -4.894 145 HZ1 LYS 17 HZ1 LYS 17 2.390 -5.608 -5.125 146 HZ2 LYS 17 HZ2 LYS 17 2.370 -7.146 -4.423 147 HZ3 LYS 17 HZ3 LYS 17 1.448 -5.898 -3.750 148 H PHE 18 HN PHE 18 1.748 -9.507 -12.132 149 HA PHE 18 HA PHE 18 0.751 -11.519 -12.519 150 HB2 PHE 18 HB2 PHE 18 1.647 -11.822 -10.004 151 HB3 PHE 18 HB1 PHE 18 -0.083 -11.927 -9.696 152 HD1 PHE 18 HD1 PHE 18 1.924 -13.135 -12.587 153 HD2 PHE 18 HD2 PHE 18 -0.523 -14.153 -9.258 154 HE1 PHE 18 HE1 PHE 18 1.943 -15.490 -13.299 155 HE2 PHE 18 HE2 PHE 18 -0.507 -16.511 -9.963 156 HZ PHE 18 HZ PHE 18 0.728 -17.182 -11.986 157 H ARG 19 HN ARG 19 -1.504 -12.714 -11.893 158 HA ARG 19 HA ARG 19 -3.533 -11.166 -12.909 159 HB2 ARG 19 HB2 ARG 19 -3.420 -13.727 -12.392 160 HB3 ARG 19 HB1 ARG 19 -4.187 -13.276 -10.878 161 HG2 ARG 19 HG2 ARG 19 -5.464 -12.124 -13.240 162 HG3 ARG 19 HG1 ARG 19 -5.491 -13.888 -13.188 163 HD2 ARG 19 HD2 ARG 19 -6.460 -13.795 -10.936 164 HD3 ARG 19 HD1 ARG 19 -6.450 -12.034 -11.009 165 HE ARG 19 HE ARG 19 -7.880 -12.724 -13.194 166 HH11 ARG 19 HH11 ARG 19 -8.110 -13.608 -9.826 167 HH12 ARG 19 HH12 ARG 19 -9.824 -13.846 -9.876 168 HH21 ARG 19 HH21 ARG 19 -10.136 -13.034 -13.261 169 HH22 ARG 19 HH22 ARG 19 -10.975 -13.518 -11.825 170 H GLY 20 HN GLY 20 -3.834 -12.230 -9.528 171 HA2 GLY 20 HA2 GLY 20 -3.745 -9.709 -8.324 172 HA3 GLY 20 HA1 GLY 20 -5.414 -9.984 -8.794 173 HA PRO 21 HA PRO 21 -3.886 -12.418 -4.817 174 HB2 PRO 21 HB2 PRO 21 -4.811 -10.014 -3.367 175 HB3 PRO 21 HB1 PRO 21 -3.444 -11.073 -3.017 176 HG2 PRO 21 HG2 PRO 21 -3.077 -8.625 -4.040 177 HG3 PRO 21 HG1 PRO 21 -2.050 -9.991 -4.512 178 HD2 PRO 21 HD2 PRO 21 -4.268 -8.679 -6.011 179 HD3 PRO 21 HD1 PRO 21 -2.761 -9.396 -6.618 180 H PHE 22 HN PHE 22 -5.474 -13.379 -3.501 181 HA PHE 22 HA PHE 22 -8.108 -13.279 -4.591 182 HB2 PHE 22 HB2 PHE 22 -6.629 -15.019 -2.874 183 HB3 PHE 22 HB1 PHE 22 -8.161 -14.640 -2.095 184 HD1 PHE 22 HD1 PHE 22 -10.218 -14.686 -3.847 185 HD2 PHE 22 HD2 PHE 22 -6.594 -16.893 -4.179 186 HE1 PHE 22 HE1 PHE 22 -11.355 -16.330 -5.282 187 HE2 PHE 22 HE2 PHE 22 -7.724 -18.540 -5.615 188 HZ PHE 22 HZ PHE 22 -10.108 -18.259 -6.169 189 H THR 23 HN THR 23 -6.935 -12.638 -1.305 190 HA THR 23 HA THR 23 -9.354 -11.396 -0.468 191 HB THR 23 HB THR 23 -6.726 -10.968 0.908 192 HG1 THR 23 HG1 THR 23 -6.982 -13.035 1.841 193 HG21 THR 23 HG21 THR 23 -9.314 -10.405 1.634 194 HG22 THR 23 HG22 THR 23 -7.928 -10.525 2.718 195 HG23 THR 23 HG23 THR 23 -8.975 -11.921 2.466 196 H ASP 24 HN ASP 24 -6.177 -10.173 -1.378 197 HA ASP 24 HA ASP 24 -6.585 -7.492 -0.801 198 HB2 ASP 24 HB2 ASP 24 -4.837 -8.279 -3.090 199 HB3 ASP 24 HB1 ASP 24 -4.574 -7.064 -1.847 200 H VAL 25 HN VAL 25 -7.018 -9.077 -4.027 201 HA VAL 25 HA VAL 25 -7.701 -6.734 -5.365 202 HB VAL 25 HB VAL 25 -7.300 -8.906 -6.498 203 HG11 VAL 25 HG11 VAL 25 -10.145 -9.619 -5.840 204 HG12 VAL 25 HG12 VAL 25 -8.781 -10.200 -4.886 205 HG13 VAL 25 HG13 VAL 25 -8.906 -10.623 -6.593 206 HG21 VAL 25 HG21 VAL 25 -8.426 -8.230 -8.330 207 HG22 VAL 25 HG22 VAL 25 -8.820 -6.838 -7.321 208 HG23 VAL 25 HG23 VAL 25 -9.973 -8.162 -7.487 209 H VAL 26 HN VAL 26 -9.852 -9.049 -3.719 210 HA VAL 26 HA VAL 26 -12.201 -7.514 -4.183 211 HB VAL 26 HB VAL 26 -11.831 -9.562 -2.011 212 HG11 VAL 26 HG11 VAL 26 -13.888 -8.208 -1.950 213 HG12 VAL 26 HG12 VAL 26 -14.211 -9.913 -2.258 214 HG13 VAL 26 HG13 VAL 26 -14.272 -8.752 -3.583 215 HG21 VAL 26 HG21 VAL 26 -12.701 -11.196 -3.707 216 HG22 VAL 26 HG22 VAL 26 -11.058 -10.623 -3.999 217 HG23 VAL 26 HG23 VAL 26 -12.400 -9.972 -4.940 218 H THR 27 HN THR 27 -10.208 -8.028 -1.283 219 HA THR 27 HA THR 27 -11.700 -6.312 0.372 220 HB THR 27 HB THR 27 -10.025 -8.150 1.024 221 HG1 THR 27 HG1 THR 27 -11.115 -6.628 2.456 222 HG21 THR 27 HG21 THR 27 -7.989 -6.132 1.546 223 HG22 THR 27 HG22 THR 27 -8.151 -6.562 -0.156 224 HG23 THR 27 HG23 THR 27 -7.826 -7.814 1.042 225 H THR 28 HN THR 28 -8.959 -5.662 -1.757 226 HA THR 28 HA THR 28 -8.377 -3.106 -0.671 227 HB THR 28 HB THR 28 -6.876 -4.452 -2.224 228 HG1 THR 28 HG1 THR 28 -5.888 -2.628 -2.312 229 HG21 THR 28 HG21 THR 28 -8.480 -3.134 -4.399 230 HG22 THR 28 HG22 THR 28 -8.544 -4.852 -4.014 231 HG23 THR 28 HG23 THR 28 -7.039 -4.133 -4.584 232 H ASN 29 HN ASN 29 -10.310 -4.129 -3.462 233 HA ASN 29 HA ASN 29 -11.269 -1.512 -4.043 234 HB2 ASN 29 HB2 ASN 29 -12.223 -4.263 -4.853 235 HB3 ASN 29 HB1 ASN 29 -12.985 -2.779 -5.416 236 HD21 ASN 29 1HE2 ASN 29 -11.648 -1.271 -6.609 237 HD22 ASN 29 2HE2 ASN 29 -10.358 -1.878 -7.584 238 H LEU 30 HN LEU 30 -12.319 -4.168 -2.025 239 HA LEU 30 HA LEU 30 -14.949 -3.184 -1.537 240 HB2 LEU 30 HB2 LEU 30 -14.257 -5.548 -1.218 241 HB3 LEU 30 HB1 LEU 30 -13.299 -5.053 0.163 242 HG LEU 30 HG LEU 30 -15.542 -6.084 0.684 243 HD11 LEU 30 HD11 LEU 30 -15.603 -3.351 1.812 244 HD12 LEU 30 HD12 LEU 30 -14.125 -4.285 2.046 245 HD13 LEU 30 HD13 LEU 30 -15.668 -4.917 2.620 246 HD21 LEU 30 HD21 LEU 30 -16.540 -4.524 -1.241 247 HD22 LEU 30 HD22 LEU 30 -16.838 -3.481 0.149 248 HD23 LEU 30 HD23 LEU 30 -17.506 -5.113 0.113 249 H LYS 31 HN LYS 31 -11.958 -3.103 0.364 250 HA LYS 31 HA LYS 31 -13.143 -1.402 2.359 251 HB2 LYS 31 HB2 LYS 31 -11.418 -3.141 2.866 252 HB3 LYS 31 HB1 LYS 31 -10.238 -2.154 2.014 253 HG2 LYS 31 HG2 LYS 31 -10.719 -0.314 3.622 254 HG3 LYS 31 HG1 LYS 31 -11.733 -1.440 4.525 255 HD2 LYS 31 HD2 LYS 31 -9.924 -2.149 5.606 256 HD3 LYS 31 HD1 LYS 31 -9.276 -2.749 4.078 257 HE2 LYS 31 HE2 LYS 31 -7.664 -1.280 5.095 258 HE3 LYS 31 HE1 LYS 31 -8.319 -0.507 3.652 259 HZ1 LYS 31 HZ1 LYS 31 -8.655 0.214 6.462 260 HZ2 LYS 31 HZ2 LYS 31 -9.973 0.478 5.435 261 HZ3 LYS 31 HZ3 LYS 31 -8.483 1.208 5.103 262 H LEU 32 HN LEU 32 -13.628 0.096 0.329 263 HA LEU 32 HA LEU 32 -11.378 1.886 -0.189 264 HB2 LEU 32 HB2 LEU 32 -13.489 1.043 -1.750 265 HB3 LEU 32 HB1 LEU 32 -14.005 2.642 -1.257 266 HG LEU 32 HG LEU 32 -11.634 1.870 -2.936 267 HD11 LEU 32 HD11 LEU 32 -12.704 4.029 -4.078 268 HD12 LEU 32 HD12 LEU 32 -14.133 3.421 -3.240 269 HD13 LEU 32 HD13 LEU 32 -13.281 2.392 -4.393 270 HD21 LEU 32 HD21 LEU 32 -10.414 3.364 -1.772 271 HD22 LEU 32 HD22 LEU 32 -11.833 4.108 -1.034 272 HD23 LEU 32 HD23 LEU 32 -11.354 4.553 -2.672 273 H GLY 33 HN GLY 33 -11.796 2.013 2.388 274 HA2 GLY 33 HA2 GLY 33 -12.034 3.682 3.994 275 HA3 GLY 33 HA1 GLY 33 -12.826 4.691 2.790 276 H ASN 34 HN ASN 34 -13.287 2.940 5.588 277 HA ASN 34 HA ASN 34 -16.142 3.308 5.468 278 HB2 ASN 34 HB2 ASN 34 -15.003 0.761 4.832 279 HB3 ASN 34 HB1 ASN 34 -15.836 0.625 6.377 280 HD21 ASN 34 1HE2 ASN 34 -16.505 -0.536 3.799 281 HD22 ASN 34 2HE2 ASN 34 -18.095 0.022 3.415 282 HA PRO 35 HA PRO 35 -16.288 3.684 9.885 283 HB2 PRO 35 HB2 PRO 35 -17.081 0.805 10.154 284 HB3 PRO 35 HB1 PRO 35 -17.742 2.231 10.964 285 HG2 PRO 35 HG2 PRO 35 -19.023 1.148 8.905 286 HG3 PRO 35 HG1 PRO 35 -18.934 2.909 9.089 287 HD2 PRO 35 HD2 PRO 35 -17.520 1.132 7.178 288 HD3 PRO 35 HD1 PRO 35 -18.011 2.827 6.992 289 H THR 36 HN THR 36 -14.704 0.806 8.635 290 HA THR 36 HA THR 36 -12.716 -0.174 9.139 291 HB THR 36 HB THR 36 -11.895 1.795 11.178 292 HG1 THR 36 HG1 THR 36 -12.399 2.584 8.501 293 HG21 THR 36 HG21 THR 36 -10.221 1.865 8.935 294 HG22 THR 36 HG22 THR 36 -10.667 0.175 9.172 295 HG23 THR 36 HG23 THR 36 -9.924 1.085 10.487 296 H ASP 37 HN ASP 37 -11.276 -0.381 11.496 297 HA ASP 37 HA ASP 37 -12.475 -2.418 12.853 298 HB2 ASP 37 HB2 ASP 37 -10.069 -1.222 13.028 299 HB3 ASP 37 HB1 ASP 37 -10.793 -0.640 14.524 300 H ARG 38 HN ARG 38 -13.002 1.003 13.320 301 HA ARG 38 HA ARG 38 -15.235 0.392 15.070 302 HB2 ARG 38 HB2 ARG 38 -12.727 1.419 16.070 303 HB3 ARG 38 HB1 ARG 38 -14.023 2.571 16.360 304 HG2 ARG 38 HG2 ARG 38 -15.219 0.285 17.149 305 HG3 ARG 38 HG1 ARG 38 -13.537 -0.072 17.546 306 HD2 ARG 38 HD2 ARG 38 -14.964 2.445 18.385 307 HD3 ARG 38 HD1 ARG 38 -14.855 0.999 19.388 308 HE ARG 38 HE ARG 38 -12.308 1.973 18.473 309 HH11 ARG 38 HH11 ARG 38 -14.753 2.237 20.948 310 HH12 ARG 38 HH12 ARG 38 -13.658 2.850 22.141 311 HH21 ARG 38 HH21 ARG 38 -10.865 2.780 20.039 312 HH22 ARG 38 HH22 ARG 38 -11.450 3.159 21.626 313 H ASN 39 HN ASN 39 -13.546 3.484 14.671 314 HA ASN 39 HA ASN 39 -15.854 4.446 13.111 315 HB2 ASN 39 HB2 ASN 39 -14.342 5.813 15.336 316 HB3 ASN 39 HB1 ASN 39 -15.382 6.691 14.218 317 HD21 ASN 39 1HE2 ASN 39 -17.616 6.280 14.235 318 HD22 ASN 39 2HE2 ASN 39 -18.388 5.576 15.611 319 H VAL 40 HN VAL 40 -15.126 6.831 12.279 320 HA VAL 40 HA VAL 40 -12.446 6.629 11.105 321 HB VAL 40 HB VAL 40 -14.867 7.332 9.449 322 HG11 VAL 40 HG11 VAL 40 -12.220 7.892 9.029 323 HG12 VAL 40 HG12 VAL 40 -13.454 7.785 7.774 324 HG13 VAL 40 HG13 VAL 40 -12.438 6.389 8.131 325 HG21 VAL 40 HG21 VAL 40 -14.857 5.160 8.515 326 HG22 VAL 40 HG22 VAL 40 -14.821 4.938 10.264 327 HG23 VAL 40 HG23 VAL 40 -13.345 4.741 9.320 328 H CYS 41 HN CYS 41 -11.438 8.569 10.732 329 HA CYS 41 HA CYS 41 -12.658 11.068 10.507 330 HB2 CYS 41 HB2 CYS 41 -11.976 11.972 12.801 331 HB3 CYS 41 HB1 CYS 41 -13.421 10.969 12.739 332 HG CYS 41 HG CYS 41 -12.211 9.120 13.968 333 H PHE 42 HN PHE 42 -10.549 9.757 9.271 334 HA PHE 42 HA PHE 42 -8.431 10.102 8.508 335 HB2 PHE 42 HB2 PHE 42 -9.406 12.506 8.558 336 HB3 PHE 42 HB1 PHE 42 -8.381 12.729 9.972 337 HD1 PHE 42 HD2 PHE 42 -8.250 11.649 6.415 338 HD2 PHE 42 HD1 PHE 42 -6.177 13.377 9.706 339 HE1 PHE 42 HE2 PHE 42 -6.343 12.154 4.944 340 HE2 PHE 42 HE1 PHE 42 -4.268 13.886 8.241 341 HZ PHE 42 HZ PHE 42 -4.349 13.274 5.857 342 H LYS 43 HN LYS 43 -8.113 8.368 10.258 343 HA LYS 43 HA LYS 43 -6.908 9.046 12.707 344 HB2 LYS 43 HB2 LYS 43 -5.990 6.594 12.489 345 HB3 LYS 43 HB1 LYS 43 -7.698 6.895 12.746 346 HG2 LYS 43 HG2 LYS 43 -6.905 6.767 9.928 347 HG3 LYS 43 HG1 LYS 43 -6.683 5.270 10.836 348 HD2 LYS 43 HD2 LYS 43 -8.992 5.261 11.495 349 HD3 LYS 43 HD1 LYS 43 -9.247 6.854 10.778 350 HE2 LYS 43 HE2 LYS 43 -8.453 5.720 8.588 351 HE3 LYS 43 HE1 LYS 43 -8.820 4.215 9.429 352 HZ1 LYS 43 HZ1 LYS 43 -10.904 6.212 9.570 353 HZ2 LYS 43 HZ2 LYS 43 -11.010 4.556 9.244 354 HZ3 LYS 43 HZ3 LYS 43 -10.596 5.634 8.009 355 H VAL 44 HN VAL 44 -5.076 7.241 10.201 356 HA VAL 44 HA VAL 44 -2.779 7.254 9.899 357 HB VAL 44 HB VAL 44 -2.068 9.416 8.805 358 HG11 VAL 44 HG11 VAL 44 -2.746 8.245 7.041 359 HG12 VAL 44 HG12 VAL 44 -4.310 9.046 7.184 360 HG13 VAL 44 HG13 VAL 44 -4.042 7.490 7.968 361 HG21 VAL 44 HG21 VAL 44 -3.860 11.037 8.297 362 HG22 VAL 44 HG22 VAL 44 -3.482 10.962 10.017 363 HG23 VAL 44 HG23 VAL 44 -4.929 10.168 9.398 364 H LYS 45 HN LYS 45 -1.849 6.984 11.975 365 HA LYS 45 HA LYS 45 -0.524 9.389 12.951 366 HB2 LYS 45 HB2 LYS 45 -2.666 8.009 14.365 367 HB3 LYS 45 HB1 LYS 45 -1.202 8.153 15.326 368 HG2 LYS 45 HG2 LYS 45 -2.410 10.506 13.912 369 HG3 LYS 45 HG1 LYS 45 -2.922 10.012 15.527 370 HD2 LYS 45 HD2 LYS 45 -0.148 10.039 15.665 371 HD3 LYS 45 HD1 LYS 45 -0.549 11.455 14.691 372 HE2 LYS 45 HE2 LYS 45 -2.135 12.170 16.443 373 HE3 LYS 45 HE1 LYS 45 -1.641 10.789 17.423 374 HZ1 LYS 45 HZ1 LYS 45 0.718 11.915 16.893 375 HZ2 LYS 45 HZ2 LYS 45 -0.200 12.271 18.269 376 HZ3 LYS 45 HZ3 LYS 45 -0.266 13.291 16.921 377 H THR 46 HN THR 46 1.525 9.034 13.348 378 HA THR 46 HA THR 46 3.518 7.910 13.369 379 HB THR 46 HB THR 46 3.616 6.331 15.416 380 HG1 THR 46 HG1 THR 46 1.856 6.097 16.557 381 HG21 THR 46 HG21 THR 46 4.495 8.293 16.061 382 HG22 THR 46 HG22 THR 46 2.968 8.446 16.931 383 HG23 THR 46 HG23 THR 46 3.177 9.237 15.368 384 H THR 47 HN THR 47 2.181 4.995 14.703 385 HA THR 47 HA THR 47 1.490 3.463 12.558 386 HB THR 47 HB THR 47 3.966 2.287 12.473 387 HG1 THR 47 HG1 THR 47 4.929 4.045 13.538 388 HG21 THR 47 HG21 THR 47 3.658 2.535 10.304 389 HG22 THR 47 HG22 THR 47 3.878 4.282 10.426 390 HG23 THR 47 HG23 THR 47 2.279 3.575 10.657 391 H ALA 48 HN ALA 48 3.976 3.207 15.102 392 HA ALA 48 HA ALA 48 3.889 2.059 17.100 393 HB1 ALA 48 HB1 ALA 48 1.986 1.134 17.884 394 HB2 ALA 48 HB2 ALA 48 1.658 0.269 16.382 395 HB3 ALA 48 HB3 ALA 48 1.264 1.983 16.519 396 HA PRO 49 HA PRO 49 6.253 -1.584 16.470 397 HB2 PRO 49 HB2 PRO 49 4.149 -3.172 17.884 398 HB3 PRO 49 HB1 PRO 49 5.900 -3.158 18.127 399 HG2 PRO 49 HG2 PRO 49 4.292 -1.870 19.809 400 HG3 PRO 49 HG1 PRO 49 5.851 -1.175 19.329 401 HD2 PRO 49 HD2 PRO 49 3.100 -0.410 18.498 402 HD3 PRO 49 HD1 PRO 49 4.550 0.598 18.672 403 H ARG 50 HN ARG 50 6.483 -2.868 14.751 404 HA ARG 50 HA ARG 50 4.142 -4.222 13.629 405 HB2 ARG 50 HB2 ARG 50 4.807 -3.542 11.342 406 HB3 ARG 50 HB1 ARG 50 4.321 -2.178 12.340 407 HG2 ARG 50 HG2 ARG 50 6.191 -1.309 11.384 408 HG3 ARG 50 HG1 ARG 50 6.912 -2.045 12.817 409 HD2 ARG 50 HD2 ARG 50 8.011 -3.600 11.619 410 HD3 ARG 50 HD1 ARG 50 6.669 -3.832 10.500 411 HE ARG 50 HE ARG 50 8.933 -2.112 10.149 412 HH11 ARG 50 HH11 ARG 50 5.584 -2.596 9.299 413 HH12 ARG 50 HH12 ARG 50 5.697 -1.694 7.826 414 HH21 ARG 50 HH21 ARG 50 9.084 -0.924 8.212 415 HH22 ARG 50 HH22 ARG 50 7.684 -0.743 7.209 416 H ARG 51 HN ARG 51 4.565 -6.195 12.737 417 HA ARG 51 HA ARG 51 7.236 -7.255 13.201 418 HB2 ARG 51 HB2 ARG 51 4.692 -8.301 13.529 419 HB3 ARG 51 HB1 ARG 51 5.278 -9.109 12.082 420 HG2 ARG 51 HG2 ARG 51 6.980 -8.979 14.534 421 HG3 ARG 51 HG1 ARG 51 5.699 -10.182 14.390 422 HD2 ARG 51 HD2 ARG 51 6.693 -11.035 12.350 423 HD3 ARG 51 HD1 ARG 51 7.930 -9.781 12.401 424 HE ARG 51 HE ARG 51 8.173 -11.102 14.784 425 HH11 ARG 51 HH11 ARG 51 8.280 -12.026 11.420 426 HH12 ARG 51 HH12 ARG 51 9.375 -13.340 11.687 427 HH21 ARG 51 HH21 ARG 51 9.615 -12.830 15.136 428 HH22 ARG 51 HH22 ARG 51 10.134 -13.797 13.795 429 H TYR 52 HN TYR 52 4.913 -6.934 10.539 430 HA TYR 52 HA TYR 52 6.927 -6.537 8.599 431 HB2 TYR 52 HB2 TYR 52 6.446 -8.667 7.290 432 HB3 TYR 52 HB1 TYR 52 7.442 -8.848 8.730 433 HD1 TYR 52 HD2 TYR 52 4.023 -9.323 7.389 434 HD2 TYR 52 HD1 TYR 52 6.757 -10.243 10.516 435 HE1 TYR 52 HE2 TYR 52 2.467 -11.028 8.239 436 HE2 TYR 52 HE1 TYR 52 5.210 -11.950 11.375 437 HH TYR 52 HH TYR 52 2.533 -12.269 11.189 438 H CYS 53 HN CYS 53 4.480 -5.357 9.449 439 HA CYS 53 HA CYS 53 3.127 -4.045 7.866 440 HB2 CYS 53 HB2 CYS 53 3.583 -5.455 5.887 441 HB3 CYS 53 HB1 CYS 53 2.542 -6.713 6.530 442 HG CYS 53 HG CYS 53 1.194 -5.294 4.719 443 H VAL 54 HN VAL 54 1.987 -3.591 9.642 444 HA VAL 54 HA VAL 54 -0.214 -5.431 10.329 445 HB VAL 54 HB VAL 54 -0.150 -4.447 12.620 446 HG11 VAL 54 HG11 VAL 54 1.405 -5.954 13.391 447 HG12 VAL 54 HG12 VAL 54 2.551 -5.599 12.097 448 HG13 VAL 54 HG13 VAL 54 1.116 -6.568 11.764 449 HG21 VAL 54 HG21 VAL 54 1.828 -3.219 13.336 450 HG22 VAL 54 HG22 VAL 54 0.991 -2.355 12.046 451 HG23 VAL 54 HG23 VAL 54 2.463 -3.259 11.691 452 H ARG 55 HN ARG 55 -2.128 -4.329 11.284 453 HA ARG 55 HA ARG 55 -2.442 -1.532 10.537 454 HB2 ARG 55 HB2 ARG 55 -4.541 -2.009 9.303 455 HB3 ARG 55 HB1 ARG 55 -3.113 -2.666 8.513 456 HG2 ARG 55 HG2 ARG 55 -3.849 -4.788 9.996 457 HG3 ARG 55 HG1 ARG 55 -5.423 -4.043 9.709 458 HD2 ARG 55 HD2 ARG 55 -4.276 -3.912 7.235 459 HD3 ARG 55 HD1 ARG 55 -3.619 -5.425 7.857 460 HE ARG 55 HE ARG 55 -6.343 -4.893 7.108 461 HH11 ARG 55 HH11 ARG 55 -4.249 -6.901 9.048 462 HH12 ARG 55 HH12 ARG 55 -5.368 -8.221 9.114 463 HH21 ARG 55 HH21 ARG 55 -7.816 -6.628 7.192 464 HH22 ARG 55 HH22 ARG 55 -7.392 -8.067 8.059 465 H SER 56 HN SER 56 -3.327 -0.541 12.209 466 HA SER 56 HA SER 56 -4.775 -0.033 13.903 467 HB2 SER 56 HB2 SER 56 -6.201 -2.654 13.649 468 HB3 SER 56 HB1 SER 56 -6.849 -1.064 14.056 469 HG SER 56 HG SER 56 -5.809 -0.910 11.628 470 H ASN 57 HN ASN 57 -2.408 -0.868 14.600 471 HA ASN 57 HA ASN 57 -2.580 -3.102 16.438 472 HB2 ASN 57 HB2 ASN 57 -0.424 -1.410 15.334 473 HB3 ASN 57 HB1 ASN 57 -0.163 -1.993 16.975 474 HD21 ASN 57 1HE2 ASN 57 1.645 -3.067 15.812 475 HD22 ASN 57 2HE2 ASN 57 1.342 -4.626 15.131 476 H SER 58 HN SER 58 -2.492 0.427 16.602 477 HA SER 58 HA SER 58 -2.348 0.373 19.501 478 HB2 SER 58 HB2 SER 58 -2.970 2.840 17.912 479 HB3 SER 58 HB1 SER 58 -2.112 2.693 19.443 480 HG SER 58 HG SER 58 -1.153 1.758 16.940 481 H GLY 59 HN GLY 59 -4.866 0.941 17.038 482 HA2 GLY 59 HA2 GLY 59 -6.977 0.081 18.540 483 HA3 GLY 59 HA1 GLY 59 -6.805 1.769 18.990 484 H ILE 60 HN ILE 60 -6.566 3.255 17.000 485 HA ILE 60 HA ILE 60 -7.953 2.424 14.622 486 HB ILE 60 HB ILE 60 -9.751 4.160 14.847 487 HG12 ILE 60 HG12 ILE 60 -8.845 4.120 17.734 488 HG13 ILE 60 HG11 ILE 60 -8.803 5.497 16.638 489 HG21 ILE 60 HG21 ILE 60 -9.936 1.998 16.933 490 HG22 ILE 60 HG22 ILE 60 -10.081 1.702 15.200 491 HG23 ILE 60 HG23 ILE 60 -11.252 2.736 16.021 492 HD11 ILE 60 HD11 ILE 60 -10.654 5.852 18.022 493 HD12 ILE 60 HD12 ILE 60 -11.189 4.178 17.879 494 HD13 ILE 60 HD13 ILE 60 -11.324 5.267 16.499 495 H ILE 61 HN ILE 61 -6.860 5.151 16.612 496 HA ILE 61 HA ILE 61 -6.526 6.995 14.498 497 HB ILE 61 HB ILE 61 -5.773 6.761 17.335 498 HG12 ILE 61 HG12 ILE 61 -7.701 8.066 16.520 499 HG13 ILE 61 HG11 ILE 61 -6.555 9.074 17.399 500 HG21 ILE 61 HG21 ILE 61 -4.141 8.627 17.245 501 HG22 ILE 61 HG22 ILE 61 -4.104 8.459 15.490 502 HG23 ILE 61 HG23 ILE 61 -3.552 7.132 16.516 503 HD11 ILE 61 HD11 ILE 61 -7.517 9.316 14.705 504 HD12 ILE 61 HD12 ILE 61 -5.757 9.214 14.734 505 HD13 ILE 61 HD13 ILE 61 -6.585 10.456 15.673 506 H ASP 62 HN ASP 62 -4.489 4.543 15.930 507 HA ASP 62 HA ASP 62 -2.242 5.230 14.213 508 HB2 ASP 62 HB2 ASP 62 -2.550 2.907 16.120 509 HB3 ASP 62 HB1 ASP 62 -1.060 3.415 15.335 510 H ALA 63 HN ALA 63 -5.040 3.316 14.116 511 HA ALA 63 HA ALA 63 -4.185 1.126 12.577 512 HB1 ALA 63 HB1 ALA 63 -6.317 1.151 13.733 513 HB2 ALA 63 HB2 ALA 63 -6.554 0.838 12.014 514 HB3 ALA 63 HB3 ALA 63 -6.895 2.436 12.674 515 H GLY 64 HN GLY 64 -5.107 4.387 11.588 516 HA2 GLY 64 HA2 GLY 64 -5.051 3.596 8.774 517 HA3 GLY 64 HA1 GLY 64 -5.500 5.175 9.394 518 H ALA 65 HN ALA 65 -2.713 4.295 10.932 519 HA ALA 65 HA ALA 65 -1.157 6.251 9.627 520 HB1 ALA 65 HB1 ALA 65 0.296 5.969 11.315 521 HB2 ALA 65 HB2 ALA 65 0.274 4.210 11.186 522 HB3 ALA 65 HB3 ALA 65 -1.031 5.049 12.022 523 H SER 66 HN SER 66 -1.968 3.403 8.226 524 HA SER 66 HA SER 66 0.409 3.471 6.558 525 HB2 SER 66 HB2 SER 66 -0.285 1.177 8.339 526 HB3 SER 66 HB1 SER 66 0.418 0.838 6.759 527 HG SER 66 HG SER 66 1.560 2.657 8.605 528 H ILE 67 HN ILE 67 -2.280 4.180 5.984 529 HA ILE 67 HA ILE 67 -3.435 1.993 4.467 530 HB ILE 67 HB ILE 67 -4.345 4.862 4.528 531 HG12 ILE 67 HG12 ILE 67 -4.229 3.903 6.808 532 HG13 ILE 67 HG11 ILE 67 -5.884 4.220 6.301 533 HG21 ILE 67 HG21 ILE 67 -6.570 3.662 4.058 534 HG22 ILE 67 HG22 ILE 67 -5.563 2.289 3.602 535 HG23 ILE 67 HG23 ILE 67 -5.409 3.819 2.740 536 HD11 ILE 67 HD11 ILE 67 -4.799 1.506 5.824 537 HD12 ILE 67 HD12 ILE 67 -6.432 2.020 6.247 538 HD13 ILE 67 HD13 ILE 67 -5.176 1.969 7.484 539 H ASN 68 HN ASN 68 -1.185 4.478 3.871 540 HA ASN 68 HA ASN 68 0.021 4.960 1.988 541 HB2 ASN 68 HB2 ASN 68 -0.650 2.558 1.252 542 HB3 ASN 68 HB1 ASN 68 -1.855 3.365 0.251 543 HD21 ASN 68 1HE2 ASN 68 -0.608 2.337 -1.539 544 HD22 ASN 68 2HE2 ASN 68 0.785 3.165 -2.139 545 H VAL 69 HN VAL 69 -3.429 4.700 1.071 546 HA VAL 69 HA VAL 69 -3.262 7.211 -0.353 547 HB VAL 69 HB VAL 69 -5.596 6.816 -0.977 548 HG11 VAL 69 HG11 VAL 69 -3.844 5.841 -2.339 549 HG12 VAL 69 HG12 VAL 69 -5.237 4.761 -2.282 550 HG13 VAL 69 HG13 VAL 69 -3.809 4.410 -1.310 551 HG21 VAL 69 HG21 VAL 69 -5.372 4.354 0.755 552 HG22 VAL 69 HG22 VAL 69 -6.710 4.723 -0.331 553 HG23 VAL 69 HG23 VAL 69 -6.395 5.758 1.060 554 H SER 70 HN SER 70 -4.199 6.185 2.805 555 HA SER 70 HA SER 70 -6.122 8.168 3.379 556 HB2 SER 70 HB2 SER 70 -5.819 6.186 4.798 557 HB3 SER 70 HB1 SER 70 -4.223 6.765 5.273 558 HG SER 70 HG SER 70 -5.844 7.291 6.812 559 H VAL 71 HN VAL 71 -2.615 8.077 3.883 560 HA VAL 71 HA VAL 71 -2.393 10.595 5.118 561 HB VAL 71 HB VAL 71 -0.592 8.954 5.216 562 HG11 VAL 71 HG11 VAL 71 0.558 8.121 3.427 563 HG12 VAL 71 HG12 VAL 71 0.274 9.552 2.436 564 HG13 VAL 71 HG13 VAL 71 -1.018 8.378 2.678 565 HG21 VAL 71 HG21 VAL 71 0.871 11.028 3.779 566 HG22 VAL 71 HG22 VAL 71 0.946 10.554 5.476 567 HG23 VAL 71 HG23 VAL 71 -0.305 11.668 4.926 568 H MET 72 HN MET 72 -3.694 12.046 3.945 569 HA MET 72 HA MET 72 -3.055 12.598 1.171 570 HB2 MET 72 HB2 MET 72 -5.397 12.665 2.313 571 HB3 MET 72 HB1 MET 72 -4.903 14.266 2.844 572 HG2 MET 72 HG2 MET 72 -4.317 14.483 0.249 573 HG3 MET 72 HG1 MET 72 -5.613 13.291 0.151 574 HE1 MET 72 HE1 MET 72 -7.427 16.556 -0.897 575 HE2 MET 72 HE2 MET 72 -7.591 14.808 -1.063 576 HE3 MET 72 HE3 MET 72 -6.051 15.587 -1.429 577 H LEU 73 HN LEU 73 -2.767 14.203 4.315 578 HA LEU 73 HA LEU 73 -1.725 16.638 3.349 579 HB2 LEU 73 HB2 LEU 73 -2.533 15.735 5.776 580 HB3 LEU 73 HB1 LEU 73 -0.793 15.721 5.994 581 HG LEU 73 HG LEU 73 -1.874 17.814 6.771 582 HD11 LEU 73 HD11 LEU 73 -0.070 19.050 6.214 583 HD12 LEU 73 HD12 LEU 73 -0.228 18.707 4.491 584 HD13 LEU 73 HD13 LEU 73 0.502 17.513 5.565 585 HD21 LEU 73 HD21 LEU 73 -3.146 19.145 5.463 586 HD22 LEU 73 HD22 LEU 73 -3.435 17.640 4.590 587 HD23 LEU 73 HD23 LEU 73 -2.222 18.779 4.006 588 H GLN 74 HN GLN 74 0.092 14.172 5.173 589 HA GLN 74 HA GLN 74 2.179 13.999 3.242 590 HB2 GLN 74 HB2 GLN 74 2.366 16.055 5.298 591 HB3 GLN 74 HB1 GLN 74 3.720 14.935 5.358 592 HG2 GLN 74 HG2 GLN 74 4.243 15.383 3.046 593 HG3 GLN 74 HG1 GLN 74 2.826 16.422 2.900 594 HE21 GLN 74 1HE2 GLN 74 3.938 18.257 2.374 595 HE22 GLN 74 2HE2 GLN 74 4.974 19.089 3.478 596 HA PRO 75 HA PRO 75 2.896 10.204 5.358 597 HB2 PRO 75 HB2 PRO 75 5.625 9.959 5.101 598 HB3 PRO 75 HB1 PRO 75 4.468 9.579 3.823 599 HG2 PRO 75 HG2 PRO 75 6.094 12.055 4.232 600 HG3 PRO 75 HG1 PRO 75 5.736 11.184 2.728 601 HD2 PRO 75 HD2 PRO 75 4.436 13.437 3.394 602 HD3 PRO 75 HD1 PRO 75 3.616 12.105 2.553 603 H PHE 76 HN PHE 76 4.028 9.241 7.224 604 HA PHE 76 HA PHE 76 5.285 11.193 9.009 605 HB2 PHE 76 HB2 PHE 76 2.659 10.638 9.331 606 HB3 PHE 76 HB1 PHE 76 3.362 9.358 10.310 607 HD1 PHE 76 HD1 PHE 76 3.327 13.031 9.828 608 HD2 PHE 76 HD2 PHE 76 4.146 9.791 12.463 609 HE1 PHE 76 HE1 PHE 76 3.626 14.620 11.684 610 HE2 PHE 76 HE2 PHE 76 4.447 11.373 14.322 611 HZ PHE 76 HZ PHE 76 4.186 13.791 13.934 612 H ASP 77 HN ASP 77 4.101 7.855 9.407 613 HA ASP 77 HA ASP 77 5.143 5.982 10.183 614 HB2 ASP 77 HB2 ASP 77 6.241 6.606 7.815 615 HB3 ASP 77 HB1 ASP 77 7.683 6.700 8.822 616 H TYR 78 HN TYR 78 5.492 8.508 11.715 617 HA TYR 78 HA TYR 78 6.461 9.088 13.691 618 HB2 TYR 78 HB2 TYR 78 6.934 6.339 13.551 619 HB3 TYR 78 HB1 TYR 78 8.505 7.042 13.914 620 HD1 TYR 78 HD1 TYR 78 7.940 9.257 15.655 621 HD2 TYR 78 HD2 TYR 78 6.058 5.446 15.493 622 HE1 TYR 78 HE1 TYR 78 7.306 9.477 18.020 623 HE2 TYR 78 HE2 TYR 78 5.416 5.656 17.857 624 HH TYR 78 HH TYR 78 6.602 7.233 19.953 625 H ASP 79 HN ASP 79 9.000 7.602 11.677 626 HA ASP 79 HA ASP 79 10.625 8.773 10.456 627 HB2 ASP 79 HB2 ASP 79 9.524 10.988 11.424 628 HB3 ASP 79 HB1 ASP 79 10.930 10.938 12.482 629 HA PRO 80 HA PRO 80 13.783 8.533 14.131 630 HB2 PRO 80 HB2 PRO 80 12.105 7.806 16.443 631 HB3 PRO 80 HB1 PRO 80 13.396 9.005 16.326 632 HG2 PRO 80 HG2 PRO 80 10.813 9.713 16.533 633 HG3 PRO 80 HG1 PRO 80 11.975 10.657 15.582 634 HD2 PRO 80 HD2 PRO 80 9.894 8.718 14.653 635 HD3 PRO 80 HD1 PRO 80 10.394 10.266 13.949 636 H ASN 81 HN ASN 81 13.810 6.670 12.642 637 HA ASN 81 HA ASN 81 13.798 4.195 14.123 638 HB2 ASN 81 HB2 ASN 81 12.174 4.069 11.613 639 HB3 ASN 81 HB1 ASN 81 12.161 2.997 13.006 640 HD21 ASN 81 1HE2 ASN 81 10.790 5.734 11.518 641 HD22 ASN 81 2HE2 ASN 81 9.624 6.098 12.737 642 H GLU 82 HN GLU 82 16.052 4.302 13.561 643 HA GLU 82 HA GLU 82 16.867 4.399 10.823 644 HB2 GLU 82 HB2 GLU 82 18.322 5.211 12.642 645 HB3 GLU 82 HB1 GLU 82 18.438 3.576 13.278 646 HG2 GLU 82 HG2 GLU 82 20.244 3.310 12.030 647 HG3 GLU 82 HG1 GLU 82 19.193 3.347 10.615 648 H LYS 83 HN LYS 83 16.651 1.806 13.261 649 HA LYS 83 HA LYS 83 17.583 -0.262 11.581 650 HB2 LYS 83 HB2 LYS 83 17.412 -0.613 13.980 651 HB3 LYS 83 HB1 LYS 83 15.678 -0.330 13.937 652 HG2 LYS 83 HG2 LYS 83 16.475 -2.476 12.157 653 HG3 LYS 83 HG1 LYS 83 16.953 -2.776 13.829 654 HD2 LYS 83 HD2 LYS 83 14.539 -2.076 14.411 655 HD3 LYS 83 HD1 LYS 83 14.208 -2.346 12.700 656 HE2 LYS 83 HE2 LYS 83 14.981 -4.640 12.888 657 HE3 LYS 83 HE1 LYS 83 15.405 -4.378 14.580 658 HZ1 LYS 83 HZ1 LYS 83 12.852 -3.661 14.609 659 HZ2 LYS 83 HZ2 LYS 83 13.367 -5.245 14.899 660 HZ3 LYS 83 HZ3 LYS 83 12.800 -4.808 13.366 661 H SER 84 HN SER 84 14.398 1.017 12.312 662 HA SER 84 HA SER 84 12.884 -0.678 10.639 663 HB2 SER 84 HB2 SER 84 12.150 1.091 12.451 664 HB3 SER 84 HB1 SER 84 12.048 2.156 11.050 665 HG SER 84 HG SER 84 10.294 0.343 11.856 666 H LYS 85 HN LYS 85 14.988 1.911 9.898 667 HA LYS 85 HA LYS 85 15.384 3.138 7.992 668 HB2 LYS 85 HB2 LYS 85 16.567 1.164 7.515 669 HB3 LYS 85 HB1 LYS 85 15.114 0.300 7.042 670 HG2 LYS 85 HG2 LYS 85 15.142 1.138 4.953 671 HG3 LYS 85 HG1 LYS 85 15.724 2.718 5.480 672 HD2 LYS 85 HD2 LYS 85 17.589 0.414 5.681 673 HD3 LYS 85 HD1 LYS 85 17.241 1.055 4.074 674 HE2 LYS 85 HE2 LYS 85 18.145 2.744 6.399 675 HE3 LYS 85 HE1 LYS 85 19.242 2.059 5.199 676 HZ1 LYS 85 HZ1 LYS 85 18.679 4.328 4.645 677 HZ2 LYS 85 HZ2 LYS 85 17.028 3.963 4.652 678 HZ3 LYS 85 HZ3 LYS 85 18.039 3.281 3.480 679 H HIS 86 HN HIS 86 13.564 4.497 7.795 680 HA HIS 86 HA HIS 86 11.286 3.587 6.182 681 HB2 HIS 86 HB2 HIS 86 10.819 4.896 8.191 682 HB3 HIS 86 HB1 HIS 86 11.785 6.229 7.567 683 HD1 HIS 86 HD1 HIS 86 10.324 8.040 6.771 684 HD2 HIS 86 HD2 HIS 86 8.670 4.303 6.026 685 HE1 HIS 86 HE1 HIS 86 8.143 8.493 5.607 686 HE2 HIS 86 HE2 HIS 86 7.103 6.220 5.276 687 H LYS 87 HN LYS 87 10.500 4.805 4.278 688 HA LYS 87 HA LYS 87 11.677 6.897 2.952 689 HB2 LYS 87 HB2 LYS 87 13.097 5.554 1.236 690 HB3 LYS 87 HB1 LYS 87 13.806 5.979 2.788 691 HG2 LYS 87 HG2 LYS 87 12.707 3.538 3.319 692 HG3 LYS 87 HG1 LYS 87 13.189 3.365 1.634 693 HD2 LYS 87 HD2 LYS 87 15.181 4.643 3.380 694 HD3 LYS 87 HD1 LYS 87 14.836 2.952 3.742 695 HE2 LYS 87 HE2 LYS 87 15.312 3.756 0.912 696 HE3 LYS 87 HE1 LYS 87 16.692 3.617 2.001 697 HZ1 LYS 87 HZ1 LYS 87 15.393 1.340 2.509 698 HZ2 LYS 87 HZ2 LYS 87 16.626 1.481 1.360 699 HZ3 LYS 87 HZ3 LYS 87 15.008 1.548 0.874 700 H PHE 88 HN PHE 88 9.456 7.078 2.131 701 HA PHE 88 HA PHE 88 8.284 4.934 0.640 702 HB2 PHE 88 HB2 PHE 88 7.339 7.192 1.893 703 HB3 PHE 88 HB1 PHE 88 7.097 7.558 0.189 704 HD1 PHE 88 HD2 PHE 88 6.813 4.416 2.180 705 HD2 PHE 88 HD1 PHE 88 4.900 7.234 -0.371 706 HE1 PHE 88 HE2 PHE 88 4.780 3.028 2.178 707 HE2 PHE 88 HE1 PHE 88 2.864 5.853 -0.376 708 HZ PHE 88 HZ PHE 88 2.803 3.746 0.899 709 H MET 89 HN MET 89 9.434 8.199 -0.537 710 HA MET 89 HA MET 89 9.078 7.346 -3.288 711 HB2 MET 89 HB2 MET 89 9.648 9.889 -1.965 712 HB3 MET 89 HB1 MET 89 10.759 9.641 -3.296 713 HG2 MET 89 HG2 MET 89 8.626 9.215 -4.728 714 HG3 MET 89 HG1 MET 89 7.753 9.951 -3.387 715 HE1 MET 89 HE1 MET 89 7.817 12.236 -6.543 716 HE2 MET 89 HE2 MET 89 7.355 13.186 -5.137 717 HE3 MET 89 HE3 MET 89 6.758 11.539 -5.315 718 H VAL 90 HN VAL 90 11.614 7.652 -0.963 719 HA VAL 90 HA VAL 90 13.846 6.933 -2.618 720 HB VAL 90 HB VAL 90 14.600 8.268 -0.967 721 HG11 VAL 90 HG11 VAL 90 12.394 7.175 0.626 722 HG12 VAL 90 HG12 VAL 90 12.989 8.828 0.482 723 HG13 VAL 90 HG13 VAL 90 13.817 7.681 1.534 724 HG21 VAL 90 HG21 VAL 90 15.901 6.162 -0.903 725 HG22 VAL 90 HG22 VAL 90 14.910 5.636 0.457 726 HG23 VAL 90 HG23 VAL 90 15.938 7.060 0.613 727 H GLN 91 HN GLN 91 11.501 5.020 -1.150 728 HA GLN 91 HA GLN 91 12.934 2.839 -0.217 729 HB2 GLN 91 HB2 GLN 91 10.246 3.406 -0.694 730 HB3 GLN 91 HB1 GLN 91 10.566 1.975 -1.657 731 HG2 GLN 91 HG2 GLN 91 11.704 1.136 0.557 732 HG3 GLN 91 HG1 GLN 91 10.632 2.325 1.291 733 HE21 GLN 91 1HE2 GLN 91 9.931 0.170 2.246 734 HE22 GLN 91 2HE2 GLN 91 8.639 -0.638 1.432 735 H SER 92 HN SER 92 12.753 3.918 -3.444 736 HA SER 92 HA SER 92 12.908 1.531 -4.876 737 HB2 SER 92 HB2 SER 92 14.503 3.775 -5.930 738 HB3 SER 92 HB1 SER 92 13.199 2.858 -6.685 739 HG SER 92 HG SER 92 13.102 5.178 -5.176 740 H MET 93 HN MET 93 15.284 2.863 -2.764 741 HA MET 93 HA MET 93 17.581 1.805 -4.082 742 HB2 MET 93 HB2 MET 93 17.445 3.727 -2.323 743 HB3 MET 93 HB1 MET 93 17.442 2.425 -1.142 744 HG2 MET 93 HG2 MET 93 19.585 1.685 -1.813 745 HG3 MET 93 HG1 MET 93 19.563 2.708 -3.248 746 HE1 MET 93 HE1 MET 93 22.373 3.499 -0.903 747 HE2 MET 93 HE2 MET 93 22.141 4.633 -2.234 748 HE3 MET 93 HE3 MET 93 21.841 2.913 -2.480 749 H PHE 94 HN PHE 94 15.421 0.901 -1.474 750 HA PHE 94 HA PHE 94 16.743 -1.464 -0.677 751 HB2 PHE 94 HB2 PHE 94 15.076 -1.516 0.824 752 HB3 PHE 94 HB1 PHE 94 14.379 -0.115 0.026 753 HD1 PHE 94 HD1 PHE 94 14.451 -3.835 -0.240 754 HD2 PHE 94 HD2 PHE 94 12.223 -0.247 -0.759 755 HE1 PHE 94 HE1 PHE 94 12.457 -5.158 -0.810 756 HE2 PHE 94 HE2 PHE 94 10.225 -1.566 -1.328 757 HZ PHE 94 HZ PHE 94 10.342 -4.024 -1.353 758 H ALA 95 HN ALA 95 14.976 -0.681 -3.482 759 HA ALA 95 HA ALA 95 15.547 -3.186 -4.721 760 HB1 ALA 95 HB1 ALA 95 12.844 -2.662 -3.662 761 HB2 ALA 95 HB2 ALA 95 13.652 -4.192 -4.006 762 HB3 ALA 95 HB3 ALA 95 12.920 -3.267 -5.318 763 HA PRO 96 HA PRO 96 15.893 0.529 -7.459 764 HB2 PRO 96 HB2 PRO 96 17.022 -1.230 -9.399 765 HB3 PRO 96 HB1 PRO 96 17.859 -0.041 -8.401 766 HG2 PRO 96 HG2 PRO 96 17.563 -2.959 -8.012 767 HG3 PRO 96 HG1 PRO 96 18.853 -1.873 -7.466 768 HD2 PRO 96 HD2 PRO 96 17.049 -2.894 -5.761 769 HD3 PRO 96 HD1 PRO 96 17.687 -1.248 -5.562 770 H THR 97 HN THR 97 14.521 -2.645 -8.037 771 HA THR 97 HA THR 97 13.310 -2.036 -10.528 772 HB THR 97 HB THR 97 11.933 -4.065 -10.081 773 HG1 THR 97 HG1 THR 97 13.393 -4.229 -7.662 774 HG21 THR 97 HG21 THR 97 13.661 -5.115 -10.970 775 HG22 THR 97 HG22 THR 97 14.258 -5.393 -9.334 776 HG23 THR 97 HG23 THR 97 14.799 -3.981 -10.241 777 H ASP 98 HN ASP 98 12.457 -1.347 -7.255 778 HA ASP 98 HA ASP 98 9.692 -1.127 -7.450 779 HB2 ASP 98 HB2 ASP 98 11.763 0.093 -5.686 780 HB3 ASP 98 HB1 ASP 98 10.138 0.770 -5.646 781 H THR 99 HN THR 99 12.154 1.388 -7.986 782 HA THR 99 HA THR 99 10.384 3.460 -8.610 783 HB THR 99 HB THR 99 12.577 3.959 -10.215 784 HG1 THR 99 HG1 THR 99 14.331 3.103 -9.271 785 HG21 THR 99 HG21 THR 99 13.464 4.837 -7.794 786 HG22 THR 99 HG22 THR 99 11.722 4.725 -7.536 787 HG23 THR 99 HG23 THR 99 12.357 5.707 -8.856 788 H SER 100 HN SER 100 11.931 1.047 -10.662 789 HA SER 100 HA SER 100 10.764 1.962 -13.094 790 HB2 SER 100 HB2 SER 100 11.444 -0.434 -13.848 791 HB3 SER 100 HB1 SER 100 12.712 0.714 -13.418 792 HG SER 100 HG SER 100 13.111 -0.370 -11.606 793 H ASP 101 HN ASP 101 9.677 -0.033 -10.508 794 HA ASP 101 HA ASP 101 7.851 -1.688 -11.775 795 HB2 ASP 101 HB2 ASP 101 8.615 -1.456 -9.249 796 HB3 ASP 101 HB1 ASP 101 7.125 -0.524 -9.127 797 H MET 102 HN MET 102 7.349 1.629 -10.559 798 HA MET 102 HA MET 102 4.604 1.775 -11.031 799 HB2 MET 102 HB2 MET 102 6.807 3.768 -10.811 800 HB3 MET 102 HB1 MET 102 5.273 4.320 -11.467 801 HG2 MET 102 HG2 MET 102 4.274 4.294 -9.473 802 HG3 MET 102 HG1 MET 102 4.998 2.751 -9.023 803 HE1 MET 102 HE1 MET 102 4.897 5.849 -6.906 804 HE2 MET 102 HE2 MET 102 4.612 6.211 -8.609 805 HE3 MET 102 HE3 MET 102 6.016 6.891 -7.785 806 H GLU 103 HN GLU 103 7.238 2.898 -13.153 807 HA GLU 103 HA GLU 103 5.508 3.445 -15.345 808 HB2 GLU 103 HB2 GLU 103 8.440 3.459 -14.874 809 HB3 GLU 103 HB1 GLU 103 7.891 3.361 -16.541 810 HG2 GLU 103 HG2 GLU 103 6.916 5.467 -14.638 811 HG3 GLU 103 HG1 GLU 103 8.360 5.668 -15.630 812 H ALA 104 HN ALA 104 7.952 0.934 -14.832 813 HA ALA 104 HA ALA 104 7.657 -0.435 -17.205 814 HB1 ALA 104 HB1 ALA 104 9.477 -0.671 -15.510 815 HB2 ALA 104 HB2 ALA 104 8.913 -2.177 -16.232 816 HB3 ALA 104 HB3 ALA 104 8.398 -1.732 -14.605 817 H VAL 105 HN VAL 105 5.573 -0.704 -14.375 818 HA VAL 105 HA VAL 105 4.586 -3.258 -14.844 819 HB VAL 105 HB VAL 105 2.378 -2.331 -13.810 820 HG11 VAL 105 HG11 VAL 105 3.183 -3.332 -12.007 821 HG12 VAL 105 HG12 VAL 105 4.336 -2.030 -11.725 822 HG13 VAL 105 HG13 VAL 105 4.761 -3.366 -12.793 823 HG21 VAL 105 HG21 VAL 105 2.401 -0.066 -13.777 824 HG22 VAL 105 HG22 VAL 105 4.160 0.028 -13.714 825 HG23 VAL 105 HG23 VAL 105 3.249 -0.341 -12.257 826 H TRP 106 HN TRP 106 3.576 -0.223 -16.381 827 HA TRP 106 HA TRP 106 1.425 -1.556 -17.777 828 HB2 TRP 106 HB2 TRP 106 2.504 1.261 -17.916 829 HB3 TRP 106 HB1 TRP 106 1.164 0.683 -18.903 830 HD1 TRP 106 HD1 TRP 106 -0.650 -0.788 -16.926 831 HE1 TRP 106 HE1 TRP 106 -1.783 0.422 -14.958 832 HE3 TRP 106 HE3 TRP 106 2.467 3.245 -16.552 833 HZ2 TRP 106 HZ2 TRP 106 -1.405 2.776 -13.447 834 HZ3 TRP 106 HZ3 TRP 106 2.012 4.931 -14.820 835 HH2 TRP 106 HH2 TRP 106 0.115 4.701 -13.300 836 H LYS 107 HN LYS 107 4.494 -0.006 -18.689 837 HA LYS 107 HA LYS 107 4.247 -0.776 -21.433 838 HB2 LYS 107 HB2 LYS 107 6.523 0.139 -21.661 839 HB3 LYS 107 HB1 LYS 107 5.430 1.251 -20.849 840 HG2 LYS 107 HG2 LYS 107 6.380 0.660 -18.700 841 HG3 LYS 107 HG1 LYS 107 7.434 -0.526 -19.473 842 HD2 LYS 107 HD2 LYS 107 7.469 2.395 -20.193 843 HD3 LYS 107 HD1 LYS 107 8.479 1.717 -18.913 844 HE2 LYS 107 HE2 LYS 107 8.470 0.776 -21.778 845 HE3 LYS 107 HE1 LYS 107 9.638 1.909 -21.098 846 HZ1 LYS 107 HZ1 LYS 107 9.255 -0.944 -20.401 847 HZ2 LYS 107 HZ2 LYS 107 10.159 0.113 -19.437 848 HZ3 LYS 107 HZ3 LYS 107 10.640 -0.201 -21.029 849 H GLU 108 HN GLU 108 6.225 -1.934 -18.712 850 HA GLU 108 HA GLU 108 7.495 -3.931 -20.344 851 HB2 GLU 108 HB2 GLU 108 7.944 -2.777 -17.796 852 HB3 GLU 108 HB1 GLU 108 7.791 -4.512 -17.564 853 HG2 GLU 108 HG2 GLU 108 9.734 -3.052 -19.329 854 HG3 GLU 108 HG1 GLU 108 10.087 -4.029 -17.904 855 H ALA 109 HN ALA 109 4.436 -3.770 -19.158 856 HA ALA 109 HA ALA 109 2.759 -5.288 -18.972 857 HB1 ALA 109 HB1 ALA 109 4.773 -7.279 -20.003 858 HB2 ALA 109 HB2 ALA 109 3.742 -6.255 -21.003 859 HB3 ALA 109 HB3 ALA 109 3.022 -7.483 -19.961 860 H LYS 110 HN LYS 110 2.113 -7.353 -17.828 861 HA LYS 110 HA LYS 110 2.848 -7.208 -15.167 862 HB2 LYS 110 HB2 LYS 110 1.173 -8.653 -14.818 863 HB3 LYS 110 HB1 LYS 110 0.836 -8.377 -16.517 864 HG2 LYS 110 HG2 LYS 110 1.127 -10.515 -16.943 865 HG3 LYS 110 HG1 LYS 110 2.744 -10.484 -16.290 866 HD2 LYS 110 HD2 LYS 110 2.120 -11.304 -14.283 867 HD3 LYS 110 HD1 LYS 110 0.533 -10.533 -14.338 868 HE2 LYS 110 HE2 LYS 110 0.130 -12.854 -14.511 869 HE3 LYS 110 HE1 LYS 110 -0.072 -12.205 -16.136 870 HZ1 LYS 110 HZ1 LYS 110 1.884 -14.073 -15.127 871 HZ2 LYS 110 HZ2 LYS 110 2.535 -12.859 -16.109 872 HZ3 LYS 110 HZ3 LYS 110 1.305 -13.856 -16.702 873 HA PRO 111 HA PRO 111 5.449 -11.395 -16.101 874 HB2 PRO 111 HB2 PRO 111 6.892 -9.988 -18.319 875 HB3 PRO 111 HB1 PRO 111 6.614 -11.718 -18.083 876 HG2 PRO 111 HG2 PRO 111 5.144 -10.347 -19.822 877 HG3 PRO 111 HG1 PRO 111 4.409 -11.598 -18.802 878 HD2 PRO 111 HD2 PRO 111 4.213 -8.641 -18.608 879 HD3 PRO 111 HD1 PRO 111 3.027 -9.881 -18.161 880 H GLU 112 HN GLU 112 6.382 -8.069 -16.656 881 HA GLU 112 HA GLU 112 8.877 -8.264 -15.263 882 HB2 GLU 112 HB2 GLU 112 7.749 -6.449 -17.029 883 HB3 GLU 112 HB1 GLU 112 7.781 -5.574 -15.503 884 HG2 GLU 112 HG2 GLU 112 10.267 -6.962 -15.960 885 HG3 GLU 112 HG1 GLU 112 9.871 -5.898 -17.305 886 H ASP 113 HN ASP 113 5.574 -7.396 -14.473 887 HA ASP 113 HA ASP 113 6.088 -6.075 -12.033 888 HB2 ASP 113 HB2 ASP 113 3.625 -7.643 -12.821 889 HB3 ASP 113 HB1 ASP 113 3.725 -6.429 -11.547 890 H LEU 114 HN LEU 114 5.187 -9.470 -12.661 891 HA LEU 114 HA LEU 114 5.139 -10.345 -10.028 892 HB2 LEU 114 HB2 LEU 114 5.693 -12.603 -10.975 893 HB3 LEU 114 HB1 LEU 114 4.315 -11.800 -11.699 894 HG LEU 114 HG LEU 114 5.967 -11.035 -13.523 895 HD11 LEU 114 HD11 LEU 114 7.649 -13.212 -13.559 896 HD12 LEU 114 HD12 LEU 114 7.664 -12.718 -11.865 897 HD13 LEU 114 HD13 LEU 114 8.097 -11.562 -13.125 898 HD21 LEU 114 HD21 LEU 114 5.869 -13.559 -14.415 899 HD22 LEU 114 HD22 LEU 114 4.468 -12.490 -14.386 900 HD23 LEU 114 HD23 LEU 114 4.703 -13.670 -13.096 901 H MET 115 HN MET 115 7.863 -9.793 -12.157 902 HA MET 115 HA MET 115 9.800 -11.117 -10.547 903 HB2 MET 115 HB2 MET 115 10.016 -10.564 -13.002 904 HB3 MET 115 HB1 MET 115 10.311 -8.899 -12.526 905 HG2 MET 115 HG2 MET 115 12.384 -9.351 -11.699 906 HG3 MET 115 HG1 MET 115 11.978 -11.015 -11.286 907 HE1 MET 115 HE1 MET 115 13.935 -11.842 -11.831 908 HE2 MET 115 HE2 MET 115 14.847 -11.725 -13.337 909 HE3 MET 115 HE3 MET 115 13.602 -12.960 -13.155 910 H ASP 116 HN ASP 116 8.828 -7.711 -10.880 911 HA ASP 116 HA ASP 116 10.729 -6.755 -8.978 912 HB2 ASP 116 HB2 ASP 116 8.189 -5.446 -9.979 913 HB3 ASP 116 HB1 ASP 116 9.496 -4.638 -9.116 914 H SER 117 HN SER 117 7.361 -7.723 -8.863 915 HA SER 117 HA SER 117 6.776 -6.859 -6.244 916 HB2 SER 117 HB2 SER 117 5.620 -9.197 -7.756 917 HB3 SER 117 HB1 SER 117 4.874 -8.382 -6.382 918 HG SER 117 HG SER 117 5.549 -7.003 -8.758 919 H LYS 118 HN LYS 118 7.801 -10.017 -7.516 920 HA LYS 118 HA LYS 118 7.879 -11.373 -5.063 921 HB2 LYS 118 HB2 LYS 118 8.929 -11.807 -7.786 922 HB3 LYS 118 HB1 LYS 118 9.839 -12.604 -6.510 923 HG2 LYS 118 HG2 LYS 118 8.178 -14.062 -6.043 924 HG3 LYS 118 HG1 LYS 118 6.903 -12.898 -6.411 925 HD2 LYS 118 HD2 LYS 118 7.937 -13.221 -8.866 926 HD3 LYS 118 HD1 LYS 118 8.311 -14.804 -8.181 927 HE2 LYS 118 HE2 LYS 118 5.588 -13.820 -7.664 928 HE3 LYS 118 HE1 LYS 118 5.955 -14.159 -9.355 929 HZ1 LYS 118 HZ1 LYS 118 6.451 -16.385 -8.862 930 HZ2 LYS 118 HZ2 LYS 118 5.032 -16.056 -8.003 931 HZ3 LYS 118 HZ3 LYS 118 6.516 -16.104 -7.195 932 H LEU 119 HN LEU 119 10.038 -9.169 -6.616 933 HA LEU 119 HA LEU 119 12.349 -9.749 -5.038 934 HB2 LEU 119 HB2 LEU 119 12.217 -8.530 -7.295 935 HB3 LEU 119 HB1 LEU 119 11.786 -7.111 -6.362 936 HG LEU 119 HG LEU 119 14.037 -7.894 -5.061 937 HD11 LEU 119 HD11 LEU 119 15.668 -8.717 -6.498 938 HD12 LEU 119 HD12 LEU 119 14.722 -8.349 -7.940 939 HD13 LEU 119 HD13 LEU 119 14.247 -9.685 -6.892 940 HD21 LEU 119 HD21 LEU 119 14.929 -5.945 -5.840 941 HD22 LEU 119 HD22 LEU 119 13.241 -5.689 -6.284 942 HD23 LEU 119 HD23 LEU 119 14.399 -6.234 -7.497 943 H ARG 120 HN ARG 120 9.928 -7.143 -4.904 944 HA ARG 120 HA ARG 120 10.995 -5.971 -2.543 945 HB2 ARG 120 HB2 ARG 120 8.886 -4.681 -2.501 946 HB3 ARG 120 HB1 ARG 120 9.662 -4.649 -4.078 947 HG2 ARG 120 HG2 ARG 120 8.105 -6.438 -4.817 948 HG3 ARG 120 HG1 ARG 120 7.276 -6.292 -3.266 949 HD2 ARG 120 HD2 ARG 120 7.641 -4.056 -5.256 950 HD3 ARG 120 HD1 ARG 120 6.174 -5.017 -5.073 951 HE ARG 120 HE ARG 120 7.020 -3.779 -2.630 952 HH11 ARG 120 HH11 ARG 120 5.247 -3.289 -5.595 953 HH12 ARG 120 HH12 ARG 120 4.253 -2.032 -4.940 954 HH21 ARG 120 HH21 ARG 120 5.713 -2.127 -1.766 955 HH22 ARG 120 HH22 ARG 120 4.519 -1.370 -2.766 956 H CYS 121 HN CYS 121 8.572 -8.413 -3.179 957 HA CYS 121 HA CYS 121 7.374 -8.475 -0.632 958 HB2 CYS 121 HB2 CYS 121 7.566 -10.434 -2.896 959 HB3 CYS 121 HB1 CYS 121 6.840 -10.916 -1.367 960 HG CYS 121 HG CYS 121 5.676 -8.565 -3.044 961 H VAL 122 HN VAL 122 10.275 -9.984 -1.904 962 HA VAL 122 HA VAL 122 10.677 -11.909 0.095 963 HB VAL 122 HB VAL 122 12.742 -10.416 -1.532 964 HG11 VAL 122 HG11 VAL 122 13.920 -12.760 -0.990 965 HG12 VAL 122 HG12 VAL 122 12.971 -12.568 0.485 966 HG13 VAL 122 HG13 VAL 122 14.130 -11.324 0.011 967 HG21 VAL 122 HG21 VAL 122 12.208 -11.731 -3.244 968 HG22 VAL 122 HG22 VAL 122 10.801 -12.262 -2.324 969 HG23 VAL 122 HG23 VAL 122 12.306 -13.176 -2.239 970 H PHE 123 HN PHE 123 11.540 -8.486 -0.025 971 HA PHE 123 HA PHE 123 13.226 -8.396 2.201 972 HB2 PHE 123 HB2 PHE 123 12.626 -6.570 0.442 973 HB3 PHE 123 HB1 PHE 123 11.345 -6.144 1.572 974 HD1 PHE 123 HD2 PHE 123 15.003 -6.451 1.179 975 HD2 PHE 123 HD1 PHE 123 11.805 -4.923 3.535 976 HE1 PHE 123 HE2 PHE 123 16.605 -5.104 2.474 977 HE2 PHE 123 HE1 PHE 123 13.400 -3.573 4.832 978 HZ PHE 123 HZ PHE 123 15.804 -3.663 4.303 979 H GLU 124 HN GLU 124 9.712 -7.928 1.995 980 HA GLU 124 HA GLU 124 9.312 -7.445 4.747 981 HB2 GLU 124 HB2 GLU 124 7.480 -8.392 2.551 982 HB3 GLU 124 HB1 GLU 124 6.916 -8.162 4.200 983 HG2 GLU 124 HG2 GLU 124 6.508 -6.054 3.667 984 HG3 GLU 124 HG1 GLU 124 8.253 -5.809 3.598 985 H LEU 125 HN LEU 125 8.822 -10.400 2.816 986 HA LEU 125 HA LEU 125 8.753 -11.948 5.309 987 HB2 LEU 125 HB2 LEU 125 6.974 -12.064 3.374 988 HB3 LEU 125 HB1 LEU 125 8.153 -13.129 2.632 989 HG LEU 125 HG LEU 125 6.876 -13.553 5.335 990 HD11 LEU 125 HD11 LEU 125 5.156 -14.150 3.990 991 HD12 LEU 125 HD12 LEU 125 6.087 -15.643 3.874 992 HD13 LEU 125 HD13 LEU 125 6.198 -14.433 2.595 993 HD21 LEU 125 HD21 LEU 125 9.132 -14.453 5.244 994 HD22 LEU 125 HD22 LEU 125 8.754 -15.290 3.738 995 HD23 LEU 125 HD23 LEU 125 7.944 -15.758 5.233 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -14.110 13.961 -2.747 2 H2 MET 1 HT2 MET 1 -14.821 14.090 -1.190 3 H3 MET 1 HT3 MET 1 -14.321 12.560 -1.785 4 HA MET 1 HA MET 1 -12.665 14.839 -0.963 5 HB2 MET 1 HB2 MET 1 -13.492 13.310 0.778 6 HB3 MET 1 HB1 MET 1 -12.833 11.941 -0.107 7 HG2 MET 1 HG2 MET 1 -10.728 12.333 0.581 8 HG3 MET 1 HG1 MET 1 -10.924 14.084 0.540 9 HE1 MET 1 HE1 MET 1 -10.095 11.818 3.928 10 HE2 MET 1 HE2 MET 1 -10.170 11.289 2.248 11 HE3 MET 1 HE3 MET 1 -11.488 10.902 3.355 12 H ALA 2 HN ALA 2 -12.233 11.439 -1.952 13 HA ALA 2 HA ALA 2 -9.795 12.230 -3.372 14 HB1 ALA 2 HB1 ALA 2 -10.529 9.373 -3.095 15 HB2 ALA 2 HB2 ALA 2 -10.099 10.247 -1.624 16 HB3 ALA 2 HB3 ALA 2 -8.956 10.160 -2.965 17 H LYS 3 HN LYS 3 -9.418 11.700 -5.522 18 HA LYS 3 HA LYS 3 -11.537 11.902 -7.304 19 HB2 LYS 3 HB2 LYS 3 -9.825 10.935 -8.981 20 HB3 LYS 3 HB1 LYS 3 -9.460 12.464 -8.192 21 HG2 LYS 3 HG2 LYS 3 -8.438 10.349 -6.583 22 HG3 LYS 3 HG1 LYS 3 -7.917 10.098 -8.249 23 HD2 LYS 3 HD2 LYS 3 -7.255 12.571 -8.220 24 HD3 LYS 3 HD1 LYS 3 -7.424 12.465 -6.466 25 HE2 LYS 3 HE2 LYS 3 -5.796 10.394 -7.841 26 HE3 LYS 3 HE1 LYS 3 -5.114 12.013 -7.690 27 HZ1 LYS 3 HZ1 LYS 3 -4.886 10.138 -5.819 28 HZ2 LYS 3 HZ2 LYS 3 -6.290 10.910 -5.276 29 HZ3 LYS 3 HZ3 LYS 3 -4.864 11.795 -5.480 30 H VAL 4 HN VAL 4 -13.191 10.485 -7.126 31 HA VAL 4 HA VAL 4 -12.887 7.703 -6.687 32 HB VAL 4 HB VAL 4 -15.299 9.081 -7.863 33 HG11 VAL 4 HG11 VAL 4 -16.546 7.234 -7.144 34 HG12 VAL 4 HG12 VAL 4 -15.249 6.652 -6.101 35 HG13 VAL 4 HG13 VAL 4 -15.091 6.533 -7.853 36 HG21 VAL 4 HG21 VAL 4 -15.208 10.290 -5.954 37 HG22 VAL 4 HG22 VAL 4 -14.169 9.122 -5.138 38 HG23 VAL 4 HG23 VAL 4 -15.904 8.828 -5.255 39 H GLU 5 HN GLU 5 -13.516 9.627 -9.608 40 HA GLU 5 HA GLU 5 -13.951 7.540 -11.393 41 HB2 GLU 5 HB2 GLU 5 -13.523 10.354 -11.533 42 HB3 GLU 5 HB1 GLU 5 -12.501 9.591 -12.742 43 HG2 GLU 5 HG2 GLU 5 -14.962 8.312 -12.975 44 HG3 GLU 5 HG1 GLU 5 -15.350 10.015 -12.738 45 H GLN 6 HN GLN 6 -10.868 9.146 -10.583 46 HA GLN 6 HA GLN 6 -9.263 7.604 -12.309 47 HB2 GLN 6 HB2 GLN 6 -8.480 8.963 -9.718 48 HB3 GLN 6 HB1 GLN 6 -7.364 8.400 -10.951 49 HG2 GLN 6 HG2 GLN 6 -8.811 10.025 -12.473 50 HG3 GLN 6 HG1 GLN 6 -9.112 10.800 -10.918 51 HE21 GLN 6 1HE2 GLN 6 -7.922 12.677 -11.433 52 HE22 GLN 6 2HE2 GLN 6 -6.198 12.663 -11.567 53 H VAL 7 HN VAL 7 -10.120 7.199 -8.912 54 HA VAL 7 HA VAL 7 -8.561 4.800 -8.589 55 HB VAL 7 HB VAL 7 -9.386 4.766 -6.305 56 HG11 VAL 7 HG11 VAL 7 -7.661 6.543 -7.360 57 HG12 VAL 7 HG12 VAL 7 -8.017 6.429 -5.636 58 HG13 VAL 7 HG13 VAL 7 -8.829 7.642 -6.627 59 HG21 VAL 7 HG21 VAL 7 -10.773 6.967 -5.750 60 HG22 VAL 7 HG22 VAL 7 -11.553 5.445 -6.181 61 HG23 VAL 7 HG23 VAL 7 -11.341 6.704 -7.398 62 H LEU 8 HN LEU 8 -11.767 5.381 -9.661 63 HA LEU 8 HA LEU 8 -13.217 3.351 -8.510 64 HB2 LEU 8 HB2 LEU 8 -13.750 5.199 -10.372 65 HB3 LEU 8 HB1 LEU 8 -13.681 3.779 -11.399 66 HG LEU 8 HG LEU 8 -15.430 2.706 -10.073 67 HD11 LEU 8 HD11 LEU 8 -14.697 4.602 -8.128 68 HD12 LEU 8 HD12 LEU 8 -15.929 3.346 -8.012 69 HD13 LEU 8 HD13 LEU 8 -16.365 4.957 -8.578 70 HD21 LEU 8 HD21 LEU 8 -15.766 4.672 -11.897 71 HD22 LEU 8 HD22 LEU 8 -16.671 5.332 -10.534 72 HD23 LEU 8 HD23 LEU 8 -17.087 3.747 -11.185 73 H SER 9 HN SER 9 -11.315 2.996 -11.558 74 HA SER 9 HA SER 9 -10.784 1.075 -12.733 75 HB2 SER 9 HB2 SER 9 -10.017 -0.739 -10.841 76 HB3 SER 9 HB1 SER 9 -9.017 0.607 -11.384 77 HG SER 9 HG SER 9 -10.713 0.539 -9.097 78 H LEU 10 HN LEU 10 -13.402 1.097 -12.797 79 HA LEU 10 HA LEU 10 -14.643 -1.179 -11.530 80 HB2 LEU 10 HB2 LEU 10 -16.608 -0.433 -12.912 81 HB3 LEU 10 HB1 LEU 10 -15.967 0.743 -11.772 82 HG LEU 10 HG LEU 10 -14.554 1.155 -14.153 83 HD11 LEU 10 HD11 LEU 10 -17.490 1.228 -14.787 84 HD12 LEU 10 HD12 LEU 10 -16.508 -0.195 -15.133 85 HD13 LEU 10 HD13 LEU 10 -16.113 1.352 -15.883 86 HD21 LEU 10 HD21 LEU 10 -15.109 2.892 -12.578 87 HD22 LEU 10 HD22 LEU 10 -16.832 2.684 -12.890 88 HD23 LEU 10 HD23 LEU 10 -15.777 3.316 -14.154 89 H GLU 11 HN GLU 11 -14.068 -0.325 -14.998 90 HA GLU 11 HA GLU 11 -14.888 -3.001 -15.778 91 HB2 GLU 11 HB2 GLU 11 -14.973 -0.553 -17.050 92 HB3 GLU 11 HB1 GLU 11 -13.616 -1.342 -17.839 93 HG2 GLU 11 HG2 GLU 11 -16.157 -2.850 -17.514 94 HG3 GLU 11 HG1 GLU 11 -16.055 -1.599 -18.751 95 HA PRO 12 HA PRO 12 -10.233 -3.356 -16.497 96 HB2 PRO 12 HB2 PRO 12 -8.657 -1.197 -16.457 97 HB3 PRO 12 HB1 PRO 12 -9.697 -1.501 -17.854 98 HG2 PRO 12 HG2 PRO 12 -9.968 0.519 -15.711 99 HG3 PRO 12 HG1 PRO 12 -10.572 0.555 -17.375 100 HD2 PRO 12 HD2 PRO 12 -12.003 -0.153 -14.986 101 HD3 PRO 12 HD1 PRO 12 -12.605 -0.126 -16.654 102 H GLN 13 HN GLN 13 -10.708 -4.274 -14.339 103 HA GLN 13 HA GLN 13 -10.482 -2.755 -12.012 104 HB2 GLN 13 HB2 GLN 13 -10.195 -5.706 -12.562 105 HB3 GLN 13 HB1 GLN 13 -9.970 -5.066 -10.939 106 HG2 GLN 13 HG2 GLN 13 -12.396 -4.066 -12.153 107 HG3 GLN 13 HG1 GLN 13 -12.357 -5.828 -12.115 108 HE21 GLN 13 1HE2 GLN 13 -14.221 -5.344 -10.652 109 HE22 GLN 13 2HE2 GLN 13 -13.876 -5.149 -8.971 110 H HIS 14 HN HIS 14 -8.005 -3.851 -14.126 111 HA HIS 14 HA HIS 14 -5.745 -3.661 -14.090 112 HB2 HIS 14 HB2 HIS 14 -6.223 -1.976 -11.623 113 HB3 HIS 14 HB1 HIS 14 -4.721 -2.055 -12.538 114 HD1 HIS 14 HD1 HIS 14 -6.089 0.636 -12.182 115 HD2 HIS 14 HD2 HIS 14 -6.801 -1.883 -15.408 116 HE1 HIS 14 HE1 HIS 14 -6.954 2.122 -14.016 117 HE2 HIS 14 HE2 HIS 14 -7.293 0.589 -15.987 118 H GLU 15 HN GLU 15 -4.783 -5.541 -13.700 119 HA GLU 15 HA GLU 15 -4.266 -6.294 -10.922 120 HB2 GLU 15 HB2 GLU 15 -5.404 -8.149 -13.021 121 HB3 GLU 15 HB1 GLU 15 -4.776 -8.675 -11.465 122 HG2 GLU 15 HG2 GLU 15 -6.683 -8.205 -10.445 123 HG3 GLU 15 HG1 GLU 15 -6.727 -6.583 -11.133 124 H LEU 16 HN LEU 16 -2.103 -5.812 -11.090 125 HA LEU 16 HA LEU 16 -0.565 -7.555 -12.887 126 HB2 LEU 16 HB2 LEU 16 0.426 -4.798 -12.303 127 HB3 LEU 16 HB1 LEU 16 0.813 -5.856 -13.643 128 HG LEU 16 HG LEU 16 -0.438 -4.051 -14.529 129 HD11 LEU 16 HD11 LEU 16 -1.604 -5.394 -15.845 130 HD12 LEU 16 HD12 LEU 16 -2.777 -5.707 -14.566 131 HD13 LEU 16 HD13 LEU 16 -1.328 -6.703 -14.696 132 HD21 LEU 16 HD21 LEU 16 -2.958 -4.331 -13.182 133 HD22 LEU 16 HD22 LEU 16 -1.940 -2.904 -13.369 134 HD23 LEU 16 HD23 LEU 16 -1.675 -4.003 -12.016 135 H LYS 17 HN LYS 17 0.062 -5.143 -10.327 136 HA LYS 17 HA LYS 17 2.369 -6.084 -9.280 137 HB2 LYS 17 HB2 LYS 17 0.004 -5.016 -7.735 138 HB3 LYS 17 HB1 LYS 17 1.635 -5.161 -7.091 139 HG2 LYS 17 HG2 LYS 17 2.299 -3.706 -9.130 140 HG3 LYS 17 HG1 LYS 17 0.583 -3.295 -9.170 141 HD2 LYS 17 HD2 LYS 17 0.677 -2.450 -6.922 142 HD3 LYS 17 HD1 LYS 17 2.337 -3.015 -6.732 143 HE2 LYS 17 HE2 LYS 17 2.501 -0.704 -7.153 144 HE3 LYS 17 HE1 LYS 17 2.925 -1.493 -8.672 145 HZ1 LYS 17 HZ1 LYS 17 0.572 -1.139 -9.364 146 HZ2 LYS 17 HZ2 LYS 17 1.461 0.287 -9.168 147 HZ3 LYS 17 HZ3 LYS 17 0.353 -0.188 -7.982 148 H PHE 18 HN PHE 18 2.973 -8.064 -8.764 149 HA PHE 18 HA PHE 18 2.953 -10.218 -8.017 150 HB2 PHE 18 HB2 PHE 18 2.729 -8.583 -5.913 151 HB3 PHE 18 HB1 PHE 18 1.219 -9.465 -5.722 152 HD1 PHE 18 HD1 PHE 18 4.483 -10.745 -6.957 153 HD2 PHE 18 HD2 PHE 18 1.595 -10.761 -3.831 154 HE1 PHE 18 HE1 PHE 18 5.690 -12.583 -5.857 155 HE2 PHE 18 HE2 PHE 18 2.798 -12.600 -2.725 156 HZ PHE 18 HZ PHE 18 4.848 -13.512 -3.737 157 H ARG 19 HN ARG 19 1.375 -11.917 -6.812 158 HA ARG 19 HA ARG 19 -0.808 -12.269 -8.682 159 HB2 ARG 19 HB2 ARG 19 0.483 -14.013 -6.603 160 HB3 ARG 19 HB1 ARG 19 -1.047 -14.470 -7.338 161 HG2 ARG 19 HG2 ARG 19 0.973 -13.704 -9.290 162 HG3 ARG 19 HG1 ARG 19 1.448 -15.081 -8.295 163 HD2 ARG 19 HD2 ARG 19 0.333 -15.985 -10.169 164 HD3 ARG 19 HD1 ARG 19 -0.809 -16.083 -8.829 165 HE ARG 19 HE ARG 19 -1.447 -13.734 -9.990 166 HH11 ARG 19 HH11 ARG 19 -1.022 -16.960 -11.256 167 HH12 ARG 19 HH12 ARG 19 -2.165 -16.741 -12.538 168 HH21 ARG 19 HH21 ARG 19 -2.953 -13.449 -11.674 169 HH22 ARG 19 HH22 ARG 19 -3.262 -14.750 -12.776 170 H GLY 20 HN GLY 20 -2.969 -12.527 -8.122 171 HA2 GLY 20 HA2 GLY 20 -4.862 -12.402 -6.787 172 HA3 GLY 20 HA1 GLY 20 -3.838 -12.136 -5.390 173 HA PRO 21 HA PRO 21 -3.851 -7.652 -6.788 174 HB2 PRO 21 HB2 PRO 21 -4.762 -7.631 -9.596 175 HB3 PRO 21 HB1 PRO 21 -3.410 -6.784 -8.847 176 HG2 PRO 21 HG2 PRO 21 -3.073 -8.897 -10.500 177 HG3 PRO 21 HG1 PRO 21 -1.959 -8.518 -9.177 178 HD2 PRO 21 HD2 PRO 21 -4.028 -10.647 -9.364 179 HD3 PRO 21 HD1 PRO 21 -2.473 -10.642 -8.514 180 H PHE 22 HN PHE 22 -6.245 -9.471 -8.710 181 HA PHE 22 HA PHE 22 -8.385 -7.706 -8.070 182 HB2 PHE 22 HB2 PHE 22 -8.400 -9.098 -10.098 183 HB3 PHE 22 HB1 PHE 22 -8.460 -10.549 -9.104 184 HD1 PHE 22 HD2 PHE 22 -10.318 -7.309 -9.070 185 HD2 PHE 22 HD1 PHE 22 -10.510 -11.558 -9.247 186 HE1 PHE 22 HE2 PHE 22 -12.775 -7.195 -9.063 187 HE2 PHE 22 HE1 PHE 22 -12.968 -11.451 -9.241 188 HZ PHE 22 HZ PHE 22 -14.104 -9.267 -9.148 189 H THR 23 HN THR 23 -7.672 -11.042 -7.056 190 HA THR 23 HA THR 23 -9.715 -11.279 -5.175 191 HB THR 23 HB THR 23 -7.069 -12.691 -4.947 192 HG1 THR 23 HG1 THR 23 -7.513 -13.040 -7.026 193 HG21 THR 23 HG21 THR 23 -8.928 -14.583 -4.627 194 HG22 THR 23 HG22 THR 23 -9.811 -13.193 -3.997 195 HG23 THR 23 HG23 THR 23 -8.259 -13.644 -3.292 196 H ASP 24 HN ASP 24 -6.290 -10.454 -4.589 197 HA ASP 24 HA ASP 24 -6.639 -10.150 -1.791 198 HB2 ASP 24 HB2 ASP 24 -4.472 -10.397 -3.374 199 HB3 ASP 24 HB1 ASP 24 -4.447 -8.656 -3.116 200 H VAL 25 HN VAL 25 -6.331 -7.765 -4.404 201 HA VAL 25 HA VAL 25 -6.688 -5.530 -2.688 202 HB VAL 25 HB VAL 25 -7.137 -5.563 -5.664 203 HG11 VAL 25 HG11 VAL 25 -6.597 -3.203 -5.545 204 HG12 VAL 25 HG12 VAL 25 -6.358 -3.325 -3.802 205 HG13 VAL 25 HG13 VAL 25 -7.963 -3.568 -4.490 206 HG21 VAL 25 HG21 VAL 25 -4.861 -6.412 -4.581 207 HG22 VAL 25 HG22 VAL 25 -4.568 -4.677 -4.467 208 HG23 VAL 25 HG23 VAL 25 -4.890 -5.416 -6.036 209 H VAL 26 HN VAL 26 -9.057 -7.444 -4.509 210 HA VAL 26 HA VAL 26 -11.126 -5.596 -4.552 211 HB VAL 26 HB VAL 26 -12.711 -7.567 -4.483 212 HG11 VAL 26 HG11 VAL 26 -10.664 -6.942 -6.490 213 HG12 VAL 26 HG12 VAL 26 -12.419 -7.029 -6.639 214 HG13 VAL 26 HG13 VAL 26 -11.456 -8.505 -6.687 215 HG21 VAL 26 HG21 VAL 26 -11.880 -9.411 -3.541 216 HG22 VAL 26 HG22 VAL 26 -10.213 -8.888 -3.776 217 HG23 VAL 26 HG23 VAL 26 -11.081 -9.678 -5.091 218 H THR 27 HN THR 27 -10.105 -7.605 -1.829 219 HA THR 27 HA THR 27 -12.418 -7.319 -0.287 220 HB THR 27 HB THR 27 -10.631 -8.830 0.383 221 HG1 THR 27 HG1 THR 27 -11.561 -8.483 2.227 222 HG21 THR 27 HG21 THR 27 -8.508 -8.288 0.914 223 HG22 THR 27 HG22 THR 27 -8.945 -6.685 1.508 224 HG23 THR 27 HG23 THR 27 -8.825 -6.981 -0.226 225 H THR 28 HN THR 28 -9.516 -5.269 -0.396 226 HA THR 28 HA THR 28 -10.607 -3.276 1.339 227 HB THR 28 HB THR 28 -8.212 -3.519 1.208 228 HG1 THR 28 HG1 THR 28 -8.115 -1.464 1.509 229 HG21 THR 28 HG21 THR 28 -8.417 -2.724 -1.687 230 HG22 THR 28 HG22 THR 28 -7.948 -4.308 -1.072 231 HG23 THR 28 HG23 THR 28 -6.926 -2.907 -0.764 232 H ASN 29 HN ASN 29 -10.136 -3.529 -2.146 233 HA ASN 29 HA ASN 29 -11.146 -0.995 -2.829 234 HB2 ASN 29 HB2 ASN 29 -9.904 -3.081 -4.160 235 HB3 ASN 29 HB1 ASN 29 -11.499 -3.006 -4.903 236 HD21 ASN 29 1HE2 ASN 29 -9.198 -2.436 -6.308 237 HD22 ASN 29 2HE2 ASN 29 -9.180 -0.757 -6.713 238 H LEU 30 HN LEU 30 -12.759 -4.079 -2.349 239 HA LEU 30 HA LEU 30 -15.124 -3.597 -3.728 240 HB2 LEU 30 HB2 LEU 30 -14.620 -5.770 -2.810 241 HB3 LEU 30 HB1 LEU 30 -14.677 -5.140 -1.175 242 HG LEU 30 HG LEU 30 -16.676 -6.508 -2.005 243 HD11 LEU 30 HD11 LEU 30 -17.935 -5.540 -0.408 244 HD12 LEU 30 HD12 LEU 30 -17.718 -3.917 -1.063 245 HD13 LEU 30 HD13 LEU 30 -16.447 -4.649 -0.083 246 HD21 LEU 30 HD21 LEU 30 -16.851 -5.357 -4.192 247 HD22 LEU 30 HD22 LEU 30 -17.357 -3.895 -3.346 248 HD23 LEU 30 HD23 LEU 30 -18.358 -5.346 -3.275 249 H LYS 31 HN LYS 31 -14.426 -2.874 -0.303 250 HA LYS 31 HA LYS 31 -16.883 -1.296 -0.176 251 HB2 LYS 31 HB2 LYS 31 -15.066 -2.537 1.811 252 HB3 LYS 31 HB1 LYS 31 -15.837 -1.032 2.291 253 HG2 LYS 31 HG2 LYS 31 -17.914 -2.480 1.214 254 HG3 LYS 31 HG1 LYS 31 -16.950 -3.703 2.045 255 HD2 LYS 31 HD2 LYS 31 -18.459 -2.933 3.668 256 HD3 LYS 31 HD1 LYS 31 -16.950 -2.095 4.033 257 HE2 LYS 31 HE2 LYS 31 -17.746 -0.104 2.909 258 HE3 LYS 31 HE1 LYS 31 -19.221 -0.937 2.421 259 HZ1 LYS 31 HZ1 LYS 31 -18.494 0.193 4.997 260 HZ2 LYS 31 HZ2 LYS 31 -19.314 -1.285 5.052 261 HZ3 LYS 31 HZ3 LYS 31 -20.015 0.041 4.271 262 H LEU 32 HN LEU 32 -14.053 -0.676 -1.427 263 HA LEU 32 HA LEU 32 -12.508 1.044 -1.431 264 HB2 LEU 32 HB2 LEU 32 -15.079 1.725 -2.384 265 HB3 LEU 32 HB1 LEU 32 -14.454 3.143 -1.566 266 HG LEU 32 HG LEU 32 -13.139 1.673 -3.863 267 HD11 LEU 32 HD11 LEU 32 -14.655 2.956 -4.946 268 HD12 LEU 32 HD12 LEU 32 -13.425 4.194 -4.694 269 HD13 LEU 32 HD13 LEU 32 -14.814 4.097 -3.611 270 HD21 LEU 32 HD21 LEU 32 -11.798 2.933 -1.864 271 HD22 LEU 32 HD22 LEU 32 -12.072 4.264 -2.985 272 HD23 LEU 32 HD23 LEU 32 -11.232 2.813 -3.529 273 H GLY 33 HN GLY 33 -12.988 0.331 1.247 274 HA2 GLY 33 HA2 GLY 33 -11.787 2.268 2.715 275 HA3 GLY 33 HA1 GLY 33 -13.483 2.719 2.792 276 H ASN 34 HN ASN 34 -14.959 1.352 3.856 277 HA ASN 34 HA ASN 34 -15.667 0.043 5.553 278 HB2 ASN 34 HB2 ASN 34 -15.102 -2.216 5.480 279 HB3 ASN 34 HB1 ASN 34 -14.775 -1.667 3.841 280 HD21 ASN 34 1HE2 ASN 34 -13.247 -2.298 6.957 281 HD22 ASN 34 2HE2 ASN 34 -11.710 -2.753 6.314 282 HA PRO 35 HA PRO 35 -13.052 1.079 8.996 283 HB2 PRO 35 HB2 PRO 35 -14.817 0.680 10.949 284 HB3 PRO 35 HB1 PRO 35 -15.050 1.981 9.776 285 HG2 PRO 35 HG2 PRO 35 -16.375 -0.689 9.933 286 HG3 PRO 35 HG1 PRO 35 -17.063 0.880 9.485 287 HD2 PRO 35 HD2 PRO 35 -16.216 -1.098 7.704 288 HD3 PRO 35 HD1 PRO 35 -16.503 0.604 7.299 289 H THR 36 HN THR 36 -11.446 -0.264 9.553 290 HA THR 36 HA THR 36 -11.698 -3.061 9.813 291 HB THR 36 HB THR 36 -9.473 -1.582 11.164 292 HG1 THR 36 HG1 THR 36 -8.509 -1.415 9.039 293 HG21 THR 36 HG21 THR 36 -9.303 -3.968 11.183 294 HG22 THR 36 HG22 THR 36 -8.104 -3.317 10.065 295 HG23 THR 36 HG23 THR 36 -9.586 -4.045 9.444 296 H ASP 37 HN ASP 37 -10.696 -0.845 12.422 297 HA ASP 37 HA ASP 37 -12.670 -1.812 14.242 298 HB2 ASP 37 HB2 ASP 37 -10.565 -3.531 13.968 299 HB3 ASP 37 HB1 ASP 37 -10.011 -2.521 15.302 300 H ARG 38 HN ARG 38 -11.123 -1.365 16.628 301 HA ARG 38 HA ARG 38 -10.414 0.295 18.011 302 HB2 ARG 38 HB2 ARG 38 -8.635 0.629 16.297 303 HB3 ARG 38 HB1 ARG 38 -9.673 1.799 15.494 304 HG2 ARG 38 HG2 ARG 38 -8.704 3.348 16.748 305 HG3 ARG 38 HG1 ARG 38 -9.598 2.677 18.113 306 HD2 ARG 38 HD2 ARG 38 -6.918 1.622 17.248 307 HD3 ARG 38 HD1 ARG 38 -7.091 2.937 18.410 308 HE ARG 38 HE ARG 38 -7.579 0.142 18.866 309 HH11 ARG 38 HH11 ARG 38 -8.323 3.385 19.918 310 HH12 ARG 38 HH12 ARG 38 -8.757 2.900 21.523 311 HH21 ARG 38 HH21 ARG 38 -8.151 -0.498 20.976 312 HH22 ARG 38 HH22 ARG 38 -8.659 0.695 22.123 313 H ASN 39 HN ASN 39 -11.632 2.102 15.188 314 HA ASN 39 HA ASN 39 -13.779 3.155 16.896 315 HB2 ASN 39 HB2 ASN 39 -11.587 4.628 15.848 316 HB3 ASN 39 HB1 ASN 39 -13.026 5.135 14.967 317 HD21 ASN 39 1HE2 ASN 39 -14.912 4.773 17.009 318 HD22 ASN 39 2HE2 ASN 39 -14.621 5.961 18.230 319 H VAL 40 HN VAL 40 -15.050 4.745 15.041 320 HA VAL 40 HA VAL 40 -15.878 2.777 13.008 321 HB VAL 40 HB VAL 40 -18.100 3.894 13.051 322 HG11 VAL 40 HG11 VAL 40 -16.928 2.382 15.299 323 HG12 VAL 40 HG12 VAL 40 -18.302 1.997 14.262 324 HG13 VAL 40 HG13 VAL 40 -18.496 3.134 15.596 325 HG21 VAL 40 HG21 VAL 40 -18.640 5.333 14.987 326 HG22 VAL 40 HG22 VAL 40 -17.456 6.063 13.903 327 HG23 VAL 40 HG23 VAL 40 -16.931 5.344 15.425 328 H CYS 41 HN CYS 41 -15.180 6.159 13.661 329 HA CYS 41 HA CYS 41 -15.528 6.798 10.821 330 HB2 CYS 41 HB2 CYS 41 -16.514 8.212 12.757 331 HB3 CYS 41 HB1 CYS 41 -14.868 8.801 12.964 332 HG CYS 41 HG CYS 41 -16.726 9.985 11.093 333 H PHE 42 HN PHE 42 -13.889 8.056 9.724 334 HA PHE 42 HA PHE 42 -11.769 8.433 9.001 335 HB2 PHE 42 HB2 PHE 42 -11.088 8.264 11.945 336 HB3 PHE 42 HB1 PHE 42 -10.035 8.903 10.686 337 HD1 PHE 42 HD2 PHE 42 -10.846 10.930 9.378 338 HD2 PHE 42 HD1 PHE 42 -12.624 9.639 13.022 339 HE1 PHE 42 HE2 PHE 42 -11.837 13.162 9.681 340 HE2 PHE 42 HE1 PHE 42 -13.620 11.868 13.331 341 HZ PHE 42 HZ PHE 42 -13.226 13.633 11.658 342 H LYS 43 HN LYS 43 -12.542 5.925 8.587 343 HA LYS 43 HA LYS 43 -11.312 3.754 9.652 344 HB2 LYS 43 HB2 LYS 43 -11.099 3.032 7.099 345 HB3 LYS 43 HB1 LYS 43 -12.643 3.082 7.938 346 HG2 LYS 43 HG2 LYS 43 -13.417 4.749 6.658 347 HG3 LYS 43 HG1 LYS 43 -11.878 5.612 6.678 348 HD2 LYS 43 HD2 LYS 43 -11.051 3.787 5.081 349 HD3 LYS 43 HD1 LYS 43 -12.755 3.378 4.873 350 HE2 LYS 43 HE2 LYS 43 -13.253 5.445 3.906 351 HE3 LYS 43 HE1 LYS 43 -11.781 6.192 4.525 352 HZ1 LYS 43 HZ1 LYS 43 -12.123 4.398 2.220 353 HZ2 LYS 43 HZ2 LYS 43 -10.632 4.448 3.018 354 HZ3 LYS 43 HZ3 LYS 43 -11.268 5.854 2.327 355 H VAL 44 HN VAL 44 -9.907 5.488 6.861 356 HA VAL 44 HA VAL 44 -7.414 4.195 7.006 357 HB VAL 44 HB VAL 44 -6.600 5.928 5.478 358 HG11 VAL 44 HG11 VAL 44 -9.403 5.209 4.667 359 HG12 VAL 44 HG12 VAL 44 -8.114 4.010 4.760 360 HG13 VAL 44 HG13 VAL 44 -7.971 5.374 3.650 361 HG21 VAL 44 HG21 VAL 44 -9.212 7.276 6.141 362 HG22 VAL 44 HG22 VAL 44 -8.228 7.695 4.740 363 HG23 VAL 44 HG23 VAL 44 -7.582 7.907 6.367 364 H LYS 45 HN LYS 45 -8.543 5.888 9.426 365 HA LYS 45 HA LYS 45 -5.916 7.011 10.110 366 HB2 LYS 45 HB2 LYS 45 -8.085 8.594 9.563 367 HB3 LYS 45 HB1 LYS 45 -8.201 8.419 11.308 368 HG2 LYS 45 HG2 LYS 45 -6.771 10.111 11.431 369 HG3 LYS 45 HG1 LYS 45 -5.534 8.961 10.921 370 HD2 LYS 45 HD2 LYS 45 -5.704 9.632 8.662 371 HD3 LYS 45 HD1 LYS 45 -7.209 10.504 8.956 372 HE2 LYS 45 HE2 LYS 45 -5.557 11.769 10.681 373 HE3 LYS 45 HE1 LYS 45 -4.417 11.327 9.410 374 HZ1 LYS 45 HZ1 LYS 45 -5.348 12.753 7.961 375 HZ2 LYS 45 HZ2 LYS 45 -5.895 13.534 9.357 376 HZ3 LYS 45 HZ3 LYS 45 -6.925 12.489 8.516 377 H THR 46 HN THR 46 -9.035 6.776 11.815 378 HA THR 46 HA THR 46 -7.686 5.647 14.121 379 HB THR 46 HB THR 46 -10.648 5.923 14.045 380 HG1 THR 46 HG1 THR 46 -8.945 8.179 14.220 381 HG21 THR 46 HG21 THR 46 -8.851 7.106 16.101 382 HG22 THR 46 HG22 THR 46 -9.130 5.365 16.079 383 HG23 THR 46 HG23 THR 46 -10.489 6.473 16.262 384 H THR 47 HN THR 47 -7.150 3.718 12.702 385 HA THR 47 HA THR 47 -9.276 1.707 13.017 386 HB THR 47 HB THR 47 -9.160 2.236 10.663 387 HG1 THR 47 HG1 THR 47 -9.024 0.216 10.013 388 HG21 THR 47 HG21 THR 47 -7.237 2.150 9.326 389 HG22 THR 47 HG22 THR 47 -6.272 1.437 10.619 390 HG23 THR 47 HG23 THR 47 -6.792 3.119 10.731 391 H ALA 48 HN ALA 48 -8.398 -0.550 12.978 392 HA ALA 48 HA ALA 48 -5.774 -0.638 14.318 393 HB1 ALA 48 HB1 ALA 48 -7.790 -1.172 15.729 394 HB2 ALA 48 HB2 ALA 48 -6.542 -2.416 15.686 395 HB3 ALA 48 HB3 ALA 48 -8.011 -2.609 14.729 396 HA PRO 49 HA PRO 49 -4.708 -3.050 10.673 397 HB2 PRO 49 HB2 PRO 49 -2.168 -3.660 11.479 398 HB3 PRO 49 HB1 PRO 49 -2.616 -2.121 10.736 399 HG2 PRO 49 HG2 PRO 49 -2.246 -2.793 13.629 400 HG3 PRO 49 HG1 PRO 49 -1.718 -1.354 12.737 401 HD2 PRO 49 HD2 PRO 49 -3.908 -1.334 14.303 402 HD3 PRO 49 HD1 PRO 49 -3.819 -0.387 12.802 403 H ARG 50 HN ARG 50 -4.308 -4.086 14.010 404 HA ARG 50 HA ARG 50 -4.475 -6.115 15.024 405 HB2 ARG 50 HB2 ARG 50 -6.551 -5.999 13.298 406 HB3 ARG 50 HB1 ARG 50 -5.730 -7.428 12.687 407 HG2 ARG 50 HG2 ARG 50 -5.942 -8.546 14.771 408 HG3 ARG 50 HG1 ARG 50 -6.489 -7.072 15.574 409 HD2 ARG 50 HD2 ARG 50 -8.458 -8.263 15.228 410 HD3 ARG 50 HD1 ARG 50 -8.427 -7.119 13.887 411 HE ARG 50 HE ARG 50 -7.247 -9.669 13.271 412 HH11 ARG 50 HH11 ARG 50 -10.216 -7.838 13.381 413 HH12 ARG 50 HH12 ARG 50 -11.014 -8.823 12.202 414 HH21 ARG 50 HH21 ARG 50 -8.295 -10.966 11.720 415 HH22 ARG 50 HH22 ARG 50 -9.924 -10.599 11.260 416 H ARG 51 HN ARG 51 -2.262 -5.500 13.016 417 HA ARG 51 HA ARG 51 -0.727 -7.781 13.363 418 HB2 ARG 51 HB2 ARG 51 -2.621 -8.329 11.459 419 HB3 ARG 51 HB1 ARG 51 -1.273 -7.787 10.472 420 HG2 ARG 51 HG2 ARG 51 -1.241 -10.195 10.737 421 HG3 ARG 51 HG1 ARG 51 0.168 -9.465 11.507 422 HD2 ARG 51 HD2 ARG 51 -1.644 -9.505 13.551 423 HD3 ARG 51 HD1 ARG 51 -2.050 -10.978 12.675 424 HE ARG 51 HE ARG 51 0.292 -10.495 14.246 425 HH11 ARG 51 HH11 ARG 51 -0.970 -12.297 11.537 426 HH12 ARG 51 HH12 ARG 51 0.191 -13.572 11.684 427 HH21 ARG 51 HH21 ARG 51 1.819 -12.172 14.441 428 HH22 ARG 51 HH22 ARG 51 1.774 -13.502 13.333 429 H TYR 52 HN TYR 52 1.172 -7.799 11.645 430 HA TYR 52 HA TYR 52 2.124 -5.052 11.551 431 HB2 TYR 52 HB2 TYR 52 3.383 -7.746 11.444 432 HB3 TYR 52 HB1 TYR 52 4.225 -6.427 10.639 433 HD1 TYR 52 HD2 TYR 52 5.132 -4.559 11.925 434 HD2 TYR 52 HD1 TYR 52 3.168 -7.804 13.852 435 HE1 TYR 52 HE2 TYR 52 6.066 -3.837 14.081 436 HE2 TYR 52 HE1 TYR 52 4.096 -7.089 16.015 437 HH TYR 52 HH TYR 52 5.913 -5.788 16.899 438 H CYS 53 HN CYS 53 2.937 -4.039 9.720 439 HA CYS 53 HA CYS 53 3.363 -4.782 7.181 440 HB2 CYS 53 HB2 CYS 53 1.210 -5.982 7.031 441 HB3 CYS 53 HB1 CYS 53 0.343 -4.498 7.401 442 HG CYS 53 HG CYS 53 0.487 -5.152 4.719 443 H VAL 54 HN VAL 54 1.628 -2.553 9.207 444 HA VAL 54 HA VAL 54 2.359 -0.343 7.399 445 HB VAL 54 HB VAL 54 0.679 0.999 8.678 446 HG11 VAL 54 HG11 VAL 54 0.324 -0.630 6.548 447 HG12 VAL 54 HG12 VAL 54 -0.913 0.456 7.183 448 HG13 VAL 54 HG13 VAL 54 -0.912 -1.247 7.644 449 HG21 VAL 54 HG21 VAL 54 0.737 -1.201 10.413 450 HG22 VAL 54 HG22 VAL 54 -0.856 -1.228 9.657 451 HG23 VAL 54 HG23 VAL 54 -0.309 0.215 10.509 452 H ARG 55 HN ARG 55 4.075 -1.710 9.390 453 HA ARG 55 HA ARG 55 5.739 -1.145 10.812 454 HB2 ARG 55 HB2 ARG 55 4.820 1.702 10.360 455 HB3 ARG 55 HB1 ARG 55 6.318 1.223 11.141 456 HG2 ARG 55 HG2 ARG 55 5.542 0.754 8.273 457 HG3 ARG 55 HG1 ARG 55 6.771 1.865 8.878 458 HD2 ARG 55 HD2 ARG 55 8.258 0.231 8.646 459 HD3 ARG 55 HD1 ARG 55 7.438 -0.629 9.947 460 HE ARG 55 HE ARG 55 6.748 -2.133 8.390 461 HH11 ARG 55 HH11 ARG 55 7.322 0.903 6.767 462 HH12 ARG 55 HH12 ARG 55 6.960 0.274 5.195 463 HH21 ARG 55 HH21 ARG 55 6.272 -2.963 6.323 464 HH22 ARG 55 HH22 ARG 55 6.363 -1.920 4.942 465 H SER 56 HN SER 56 2.969 1.012 11.600 466 HA SER 56 HA SER 56 2.093 1.587 13.637 467 HB2 SER 56 HB2 SER 56 2.022 -1.358 13.378 468 HB3 SER 56 HB1 SER 56 1.645 -0.701 14.971 469 HG SER 56 HG SER 56 0.391 0.762 13.146 470 H ASN 57 HN ASN 57 4.602 2.214 13.823 471 HA ASN 57 HA ASN 57 5.892 0.887 16.051 472 HB2 ASN 57 HB2 ASN 57 6.854 2.240 13.876 473 HB3 ASN 57 HB1 ASN 57 7.037 3.438 15.154 474 HD21 ASN 57 1HE2 ASN 57 7.489 -0.064 14.770 475 HD22 ASN 57 2HE2 ASN 57 9.046 -0.115 15.516 476 H SER 58 HN SER 58 4.142 3.901 15.491 477 HA SER 58 HA SER 58 4.834 4.963 18.080 478 HB2 SER 58 HB2 SER 58 2.871 5.862 15.972 479 HB3 SER 58 HB1 SER 58 3.129 6.725 17.488 480 HG SER 58 HG SER 58 5.132 6.147 15.561 481 H GLY 59 HN GLY 59 2.062 3.236 16.735 482 HA2 GLY 59 HA2 GLY 59 1.136 1.931 18.838 483 HA3 GLY 59 HA1 GLY 59 0.578 3.550 19.223 484 H ILE 60 HN ILE 60 0.723 2.095 16.003 485 HA ILE 60 HA ILE 60 -0.820 1.610 14.459 486 HB ILE 60 HB ILE 60 -2.616 0.331 15.009 487 HG12 ILE 60 HG12 ILE 60 -3.479 0.872 17.627 488 HG13 ILE 60 HG11 ILE 60 -3.272 2.447 16.881 489 HG21 ILE 60 HG21 ILE 60 -1.185 0.279 17.652 490 HG22 ILE 60 HG22 ILE 60 -0.562 -0.453 16.174 491 HG23 ILE 60 HG23 ILE 60 -2.071 -1.034 16.878 492 HD11 ILE 60 HD11 ILE 60 -4.591 0.819 15.000 493 HD12 ILE 60 HD12 ILE 60 -5.229 2.203 15.889 494 HD13 ILE 60 HD13 ILE 60 -5.384 0.577 16.556 495 H ILE 61 HN ILE 61 -1.952 3.980 16.855 496 HA ILE 61 HA ILE 61 -3.826 5.095 14.966 497 HB ILE 61 HB ILE 61 -3.305 5.307 17.814 498 HG12 ILE 61 HG12 ILE 61 -5.358 4.405 16.753 499 HG13 ILE 61 HG11 ILE 61 -5.697 5.692 17.906 500 HG21 ILE 61 HG21 ILE 61 -2.535 7.550 17.279 501 HG22 ILE 61 HG22 ILE 61 -4.081 7.609 18.124 502 HG23 ILE 61 HG23 ILE 61 -4.020 7.862 16.380 503 HD11 ILE 61 HD11 ILE 61 -5.869 5.739 14.926 504 HD12 ILE 61 HD12 ILE 61 -5.693 7.233 15.847 505 HD13 ILE 61 HD13 ILE 61 -7.082 6.183 16.125 506 H ASP 62 HN ASP 62 -0.656 5.927 16.256 507 HA ASP 62 HA ASP 62 -0.642 8.453 14.830 508 HB2 ASP 62 HB2 ASP 62 0.442 8.467 16.971 509 HB3 ASP 62 HB1 ASP 62 1.404 7.055 16.557 510 H ALA 63 HN ALA 63 0.625 5.223 14.579 511 HA ALA 63 HA ALA 63 2.279 5.850 12.274 512 HB1 ALA 63 HB1 ALA 63 3.375 4.206 13.351 513 HB2 ALA 63 HB2 ALA 63 2.338 3.166 12.375 514 HB3 ALA 63 HB3 ALA 63 1.901 3.529 14.045 515 H GLY 64 HN GLY 64 -0.969 4.993 12.813 516 HA2 GLY 64 HA2 GLY 64 -1.516 3.379 10.579 517 HA3 GLY 64 HA1 GLY 64 -2.685 4.378 11.424 518 H ALA 65 HN ALA 65 -0.412 6.532 10.489 519 HA ALA 65 HA ALA 65 -2.017 7.398 8.253 520 HB1 ALA 65 HB1 ALA 65 0.469 8.642 9.418 521 HB2 ALA 65 HB2 ALA 65 -1.185 9.003 9.914 522 HB3 ALA 65 HB3 ALA 65 -0.648 9.397 8.281 523 H SER 66 HN SER 66 -0.013 4.984 8.214 524 HA SER 66 HA SER 66 1.433 5.827 5.792 525 HB2 SER 66 HB2 SER 66 2.743 3.598 6.400 526 HB3 SER 66 HB1 SER 66 3.144 5.136 7.162 527 HG SER 66 HG SER 66 1.332 3.249 8.256 528 H ILE 67 HN ILE 67 -1.380 4.557 6.308 529 HA ILE 67 HA ILE 67 -1.266 2.007 5.039 530 HB ILE 67 HB ILE 67 -3.093 2.722 6.575 531 HG12 ILE 67 HG12 ILE 67 -4.932 1.699 5.224 532 HG13 ILE 67 HG11 ILE 67 -3.887 1.788 3.810 533 HG21 ILE 67 HG21 ILE 67 -4.949 4.057 5.615 534 HG22 ILE 67 HG22 ILE 67 -3.925 4.408 4.222 535 HG23 ILE 67 HG23 ILE 67 -3.456 4.973 5.826 536 HD11 ILE 67 HD11 ILE 67 -3.321 0.225 6.317 537 HD12 ILE 67 HD12 ILE 67 -2.292 0.300 4.886 538 HD13 ILE 67 HD13 ILE 67 -3.892 -0.438 4.786 539 H ASN 68 HN ASN 68 -1.109 5.181 3.842 540 HA ASN 68 HA ASN 68 -0.707 5.878 1.684 541 HB2 ASN 68 HB2 ASN 68 -0.221 3.389 1.170 542 HB3 ASN 68 HB1 ASN 68 -1.869 3.344 0.548 543 HD21 ASN 68 1HE2 ASN 68 -1.475 3.128 -1.608 544 HD22 ASN 68 2HE2 ASN 68 -0.613 4.289 -2.553 545 H VAL 69 HN VAL 69 -3.722 4.101 2.259 546 HA VAL 69 HA VAL 69 -5.254 5.584 0.386 547 HB VAL 69 HB VAL 69 -7.228 4.657 1.624 548 HG11 VAL 69 HG11 VAL 69 -6.659 2.256 1.061 549 HG12 VAL 69 HG12 VAL 69 -5.046 2.834 0.646 550 HG13 VAL 69 HG13 VAL 69 -6.452 3.430 -0.237 551 HG21 VAL 69 HG21 VAL 69 -6.931 3.107 3.405 552 HG22 VAL 69 HG22 VAL 69 -6.037 4.565 3.836 553 HG23 VAL 69 HG23 VAL 69 -5.178 3.149 3.232 554 H SER 70 HN SER 70 -4.059 6.371 3.477 555 HA SER 70 HA SER 70 -6.186 8.145 4.234 556 HB2 SER 70 HB2 SER 70 -4.130 8.957 5.781 557 HB3 SER 70 HB1 SER 70 -5.111 7.539 6.151 558 HG SER 70 HG SER 70 -3.010 6.880 6.234 559 H VAL 71 HN VAL 71 -2.914 8.539 2.915 560 HA VAL 71 HA VAL 71 -3.505 10.691 1.266 561 HB VAL 71 HB VAL 71 -3.951 11.937 3.350 562 HG11 VAL 71 HG11 VAL 71 -2.209 10.597 4.657 563 HG12 VAL 71 HG12 VAL 71 -2.351 12.319 5.012 564 HG13 VAL 71 HG13 VAL 71 -1.030 11.733 4.001 565 HG21 VAL 71 HG21 VAL 71 -1.610 12.754 1.659 566 HG22 VAL 71 HG22 VAL 71 -2.265 13.805 2.912 567 HG23 VAL 71 HG23 VAL 71 -3.284 13.299 1.565 568 H MET 72 HN MET 72 -1.725 11.348 0.057 569 HA MET 72 HA MET 72 0.467 9.574 -0.019 570 HB2 MET 72 HB2 MET 72 0.232 12.301 -1.308 571 HB3 MET 72 HB1 MET 72 1.340 11.019 -1.776 572 HG2 MET 72 HG2 MET 72 -1.561 10.413 -1.774 573 HG3 MET 72 HG1 MET 72 -0.927 11.450 -3.052 574 HE1 MET 72 HE1 MET 72 -1.865 7.692 -3.649 575 HE2 MET 72 HE2 MET 72 -1.469 8.646 -5.079 576 HE3 MET 72 HE3 MET 72 -2.408 9.367 -3.771 577 H LEU 73 HN LEU 73 2.392 11.974 -0.547 578 HA LEU 73 HA LEU 73 4.004 13.106 0.585 579 HB2 LEU 73 HB2 LEU 73 2.209 12.980 3.004 580 HB3 LEU 73 HB1 LEU 73 3.491 14.132 2.685 581 HG LEU 73 HG LEU 73 1.659 14.359 0.545 582 HD11 LEU 73 HD11 LEU 73 -0.437 14.443 1.394 583 HD12 LEU 73 HD12 LEU 73 0.112 14.906 3.005 584 HD13 LEU 73 HD13 LEU 73 0.222 13.224 2.484 585 HD21 LEU 73 HD21 LEU 73 1.559 16.341 2.721 586 HD22 LEU 73 HD22 LEU 73 1.869 16.556 0.999 587 HD23 LEU 73 HD23 LEU 73 3.160 16.001 2.065 588 H GLN 74 HN GLN 74 4.832 12.884 3.292 589 HA GLN 74 HA GLN 74 5.417 10.014 3.547 590 HB2 GLN 74 HB2 GLN 74 7.493 12.113 4.118 591 HB3 GLN 74 HB1 GLN 74 7.718 10.386 3.877 592 HG2 GLN 74 HG2 GLN 74 6.788 12.243 1.706 593 HG3 GLN 74 HG1 GLN 74 8.485 11.868 2.003 594 HE21 GLN 74 1HE2 GLN 74 7.281 11.338 -0.417 595 HE22 GLN 74 2HE2 GLN 74 7.170 9.629 -0.639 596 HA PRO 75 HA PRO 75 3.938 11.891 7.570 597 HB2 PRO 75 HB2 PRO 75 2.192 9.539 7.653 598 HB3 PRO 75 HB1 PRO 75 1.771 11.248 7.777 599 HG2 PRO 75 HG2 PRO 75 1.141 9.762 5.615 600 HG3 PRO 75 HG1 PRO 75 1.523 11.489 5.502 601 HD2 PRO 75 HD2 PRO 75 3.252 9.119 4.891 602 HD3 PRO 75 HD1 PRO 75 3.082 10.650 4.005 603 H PHE 76 HN PHE 76 4.937 8.713 6.528 604 HA PHE 76 HA PHE 76 5.594 7.918 9.264 605 HB2 PHE 76 HB2 PHE 76 6.236 5.735 8.118 606 HB3 PHE 76 HB1 PHE 76 4.531 6.171 8.077 607 HD1 PHE 76 HD2 PHE 76 7.595 5.818 6.107 608 HD2 PHE 76 HD1 PHE 76 3.451 6.778 6.014 609 HE1 PHE 76 HE2 PHE 76 7.607 5.613 3.656 610 HE2 PHE 76 HE1 PHE 76 3.454 6.574 3.562 611 HZ PHE 76 HZ PHE 76 5.535 5.992 2.380 612 H ASP 77 HN ASP 77 7.054 10.034 7.754 613 HA ASP 77 HA ASP 77 9.661 8.838 7.283 614 HB2 ASP 77 HB2 ASP 77 8.437 10.881 6.046 615 HB3 ASP 77 HB1 ASP 77 9.323 11.789 7.269 616 H TYR 78 HN TYR 78 7.994 9.902 9.951 617 HA TYR 78 HA TYR 78 10.353 10.977 11.303 618 HB2 TYR 78 HB2 TYR 78 7.510 10.777 12.311 619 HB3 TYR 78 HB1 TYR 78 8.830 11.658 13.071 620 HD1 TYR 78 HD1 TYR 78 6.822 11.523 9.938 621 HD2 TYR 78 HD2 TYR 78 9.173 13.907 12.561 622 HE1 TYR 78 HE1 TYR 78 6.211 13.529 8.652 623 HE2 TYR 78 HE2 TYR 78 8.569 15.920 11.284 624 HH TYR 78 HH TYR 78 6.083 15.931 8.939 625 H ASP 79 HN ASP 79 9.214 7.985 10.707 626 HA ASP 79 HA ASP 79 8.868 6.575 12.992 627 HB2 ASP 79 HB2 ASP 79 9.930 5.999 10.357 628 HB3 ASP 79 HB1 ASP 79 10.659 4.975 11.591 629 HA PRO 80 HA PRO 80 12.627 7.614 15.285 630 HB2 PRO 80 HB2 PRO 80 11.800 6.507 17.627 631 HB3 PRO 80 HB1 PRO 80 11.288 8.113 17.095 632 HG2 PRO 80 HG2 PRO 80 9.837 5.502 16.905 633 HG3 PRO 80 HG1 PRO 80 9.215 7.096 17.367 634 HD2 PRO 80 HD2 PRO 80 8.851 6.057 14.896 635 HD3 PRO 80 HD1 PRO 80 9.032 7.800 15.179 636 H ASN 81 HN ASN 81 13.275 5.863 13.632 637 HA ASN 81 HA ASN 81 14.902 3.985 14.786 638 HB2 ASN 81 HB2 ASN 81 12.843 2.829 15.519 639 HB3 ASN 81 HB1 ASN 81 12.306 2.732 13.845 640 HD21 ASN 81 1HE2 ASN 81 13.284 0.827 16.108 641 HD22 ASN 81 2HE2 ASN 81 14.306 -0.272 15.252 642 H GLU 82 HN GLU 82 16.384 3.842 13.136 643 HA GLU 82 HA GLU 82 15.826 4.632 10.516 644 HB2 GLU 82 HB2 GLU 82 18.134 3.776 10.012 645 HB3 GLU 82 HB1 GLU 82 18.043 4.933 11.333 646 HG2 GLU 82 HG2 GLU 82 19.242 3.478 12.501 647 HG3 GLU 82 HG1 GLU 82 17.769 2.519 12.612 648 H LYS 83 HN LYS 83 16.307 1.390 11.891 649 HA LYS 83 HA LYS 83 16.118 0.024 9.436 650 HB2 LYS 83 HB2 LYS 83 16.690 -0.793 11.913 651 HB3 LYS 83 HB1 LYS 83 14.984 -1.220 11.902 652 HG2 LYS 83 HG2 LYS 83 15.666 -2.326 9.590 653 HG3 LYS 83 HG1 LYS 83 17.244 -2.378 10.379 654 HD2 LYS 83 HD2 LYS 83 15.117 -3.241 12.153 655 HD3 LYS 83 HD1 LYS 83 15.175 -4.207 10.677 656 HE2 LYS 83 HE2 LYS 83 17.383 -4.887 11.078 657 HE3 LYS 83 HE1 LYS 83 17.651 -3.613 12.267 658 HZ1 LYS 83 HZ1 LYS 83 15.670 -4.920 13.433 659 HZ2 LYS 83 HZ2 LYS 83 17.294 -5.321 13.678 660 HZ3 LYS 83 HZ3 LYS 83 16.363 -6.206 12.578 661 H SER 84 HN SER 84 13.725 0.878 11.891 662 HA SER 84 HA SER 84 11.504 -0.081 10.324 663 HB2 SER 84 HB2 SER 84 11.917 0.933 12.997 664 HB3 SER 84 HB1 SER 84 10.507 1.692 12.259 665 HG SER 84 HG SER 84 9.918 -0.561 11.672 666 H LYS 85 HN LYS 85 13.322 2.809 10.340 667 HA LYS 85 HA LYS 85 11.547 4.813 9.800 668 HB2 LYS 85 HB2 LYS 85 13.916 5.213 10.048 669 HB3 LYS 85 HB1 LYS 85 14.253 4.379 8.541 670 HG2 LYS 85 HG2 LYS 85 14.018 6.269 7.418 671 HG3 LYS 85 HG1 LYS 85 12.369 6.444 8.018 672 HD2 LYS 85 HD2 LYS 85 12.966 8.078 9.415 673 HD3 LYS 85 HD1 LYS 85 14.316 7.133 10.048 674 HE2 LYS 85 HE2 LYS 85 14.380 8.649 7.443 675 HE3 LYS 85 HE1 LYS 85 14.974 9.290 8.975 676 HZ1 LYS 85 HZ1 LYS 85 16.525 8.019 7.262 677 HZ2 LYS 85 HZ2 LYS 85 15.996 6.687 8.159 678 HZ3 LYS 85 HZ3 LYS 85 16.786 7.965 8.933 679 H HIS 86 HN HIS 86 13.316 4.285 6.890 680 HA HIS 86 HA HIS 86 12.705 3.728 4.732 681 HB2 HIS 86 HB2 HIS 86 11.296 1.931 5.846 682 HB3 HIS 86 HB1 HIS 86 9.941 3.047 5.730 683 HD1 HIS 86 HD1 HIS 86 12.561 2.257 3.093 684 HD2 HIS 86 HD2 HIS 86 8.465 1.975 3.729 685 HE1 HIS 86 HE1 HIS 86 11.596 1.454 0.914 686 HE2 HIS 86 HE2 HIS 86 9.108 1.373 1.297 687 H LYS 87 HN LYS 87 11.217 4.494 2.943 688 HA LYS 87 HA LYS 87 9.543 6.802 3.510 689 HB2 LYS 87 HB2 LYS 87 12.216 7.277 3.023 690 HB3 LYS 87 HB1 LYS 87 11.495 7.470 1.431 691 HG2 LYS 87 HG2 LYS 87 9.855 8.831 3.304 692 HG3 LYS 87 HG1 LYS 87 11.532 9.301 3.591 693 HD2 LYS 87 HD2 LYS 87 11.596 9.545 0.986 694 HD3 LYS 87 HD1 LYS 87 9.842 9.670 1.154 695 HE2 LYS 87 HE2 LYS 87 10.692 11.883 1.202 696 HE3 LYS 87 HE1 LYS 87 10.246 11.475 2.858 697 HZ1 LYS 87 HZ1 LYS 87 12.902 11.871 1.690 698 HZ2 LYS 87 HZ2 LYS 87 12.751 10.750 2.948 699 HZ3 LYS 87 HZ3 LYS 87 12.299 12.361 3.194 700 H PHE 88 HN PHE 88 8.209 7.441 1.655 701 HA PHE 88 HA PHE 88 7.533 5.229 -0.006 702 HB2 PHE 88 HB2 PHE 88 6.174 7.361 0.986 703 HB3 PHE 88 HB1 PHE 88 6.337 7.813 -0.709 704 HD1 PHE 88 HD1 PHE 88 5.832 4.506 0.930 705 HD2 PHE 88 HD2 PHE 88 4.307 7.454 -1.732 706 HE1 PHE 88 HE1 PHE 88 3.960 3.015 0.359 707 HE2 PHE 88 HE2 PHE 88 2.431 5.970 -2.307 708 HZ PHE 88 HZ PHE 88 2.256 3.747 -1.261 709 H MET 89 HN MET 89 8.791 8.510 -0.985 710 HA MET 89 HA MET 89 8.895 7.680 -3.747 711 HB2 MET 89 HB2 MET 89 9.357 10.171 -2.291 712 HB3 MET 89 HB1 MET 89 10.639 9.898 -3.452 713 HG2 MET 89 HG2 MET 89 8.811 9.643 -5.222 714 HG3 MET 89 HG1 MET 89 7.680 10.233 -4.008 715 HE1 MET 89 HE1 MET 89 7.559 13.606 -5.635 716 HE2 MET 89 HE2 MET 89 6.996 11.963 -5.926 717 HE3 MET 89 HE3 MET 89 8.263 12.655 -6.939 718 H VAL 90 HN VAL 90 11.101 7.914 -1.066 719 HA VAL 90 HA VAL 90 13.491 7.133 -2.431 720 HB VAL 90 HB VAL 90 12.906 8.346 -0.000 721 HG11 VAL 90 HG11 VAL 90 13.932 7.084 1.724 722 HG12 VAL 90 HG12 VAL 90 14.469 5.843 0.592 723 HG13 VAL 90 HG13 VAL 90 12.753 6.019 0.958 724 HG21 VAL 90 HG21 VAL 90 15.357 7.520 -1.466 725 HG22 VAL 90 HG22 VAL 90 15.529 8.147 0.174 726 HG23 VAL 90 HG23 VAL 90 14.761 9.133 -1.071 727 H GLN 91 HN GLN 91 10.900 5.288 -1.253 728 HA GLN 91 HA GLN 91 12.036 3.125 -0.007 729 HB2 GLN 91 HB2 GLN 91 10.027 1.944 -0.405 730 HB3 GLN 91 HB1 GLN 91 9.591 3.637 -0.283 731 HG2 GLN 91 HG2 GLN 91 9.501 3.782 -2.728 732 HG3 GLN 91 HG1 GLN 91 9.894 2.067 -2.827 733 HE21 GLN 91 1HE2 GLN 91 8.188 0.897 -3.282 734 HE22 GLN 91 2HE2 GLN 91 6.581 1.157 -2.702 735 H SER 92 HN SER 92 12.471 3.763 -3.374 736 HA SER 92 HA SER 92 12.535 1.151 -4.371 737 HB2 SER 92 HB2 SER 92 14.567 2.824 -5.599 738 HB3 SER 92 HB1 SER 92 13.082 2.170 -6.288 739 HG SER 92 HG SER 92 11.969 3.920 -5.277 740 H MET 93 HN MET 93 15.010 2.857 -2.547 741 HA MET 93 HA MET 93 17.111 1.029 -3.159 742 HB2 MET 93 HB2 MET 93 16.785 3.461 -1.536 743 HB3 MET 93 HB1 MET 93 17.963 2.313 -0.914 744 HG2 MET 93 HG2 MET 93 19.333 2.513 -2.757 745 HG3 MET 93 HG1 MET 93 18.033 3.101 -3.790 746 HE1 MET 93 HE1 MET 93 20.512 4.069 -4.113 747 HE2 MET 93 HE2 MET 93 21.280 5.165 -2.964 748 HE3 MET 93 HE3 MET 93 20.247 5.809 -4.240 749 H PHE 94 HN PHE 94 15.098 1.620 -0.301 750 HA PHE 94 HA PHE 94 16.114 -0.081 1.533 751 HB2 PHE 94 HB2 PHE 94 14.174 1.282 2.005 752 HB3 PHE 94 HB1 PHE 94 13.195 0.346 0.881 753 HD1 PHE 94 HD1 PHE 94 12.684 -2.042 1.414 754 HD2 PHE 94 HD2 PHE 94 14.445 0.606 4.239 755 HE1 PHE 94 HE1 PHE 94 12.023 -3.554 3.235 756 HE2 PHE 94 HE2 PHE 94 13.786 -0.902 6.070 757 HZ PHE 94 HZ PHE 94 12.573 -2.986 5.569 758 H ALA 95 HN ALA 95 14.464 -0.996 -1.388 759 HA ALA 95 HA ALA 95 15.461 -3.467 -1.731 760 HB1 ALA 95 HB1 ALA 95 13.530 -3.542 0.453 761 HB2 ALA 95 HB2 ALA 95 14.754 -4.718 -0.021 762 HB3 ALA 95 HB3 ALA 95 13.186 -4.707 -0.826 763 HA PRO 96 HA PRO 96 10.963 -3.656 -3.814 764 HB2 PRO 96 HB2 PRO 96 10.279 -0.839 -3.071 765 HB3 PRO 96 HB1 PRO 96 9.209 -2.215 -3.373 766 HG2 PRO 96 HG2 PRO 96 9.747 -1.461 -0.889 767 HG3 PRO 96 HG1 PRO 96 9.651 -3.180 -1.308 768 HD2 PRO 96 HD2 PRO 96 12.026 -1.504 -0.717 769 HD3 PRO 96 HD1 PRO 96 11.764 -3.234 -0.435 770 H THR 97 HN THR 97 12.762 -3.596 -5.380 771 HA THR 97 HA THR 97 13.675 -1.228 -6.606 772 HB THR 97 HB THR 97 13.420 -3.999 -7.799 773 HG1 THR 97 HG1 THR 97 15.574 -4.216 -7.119 774 HG21 THR 97 HG21 THR 97 15.668 -2.368 -8.645 775 HG22 THR 97 HG22 THR 97 14.108 -1.708 -9.137 776 HG23 THR 97 HG23 THR 97 14.554 -3.352 -9.594 777 H ASP 98 HN ASP 98 10.749 -2.952 -6.765 778 HA ASP 98 HA ASP 98 9.750 -2.417 -9.277 779 HB2 ASP 98 HB2 ASP 98 7.573 -2.831 -8.357 780 HB3 ASP 98 HB1 ASP 98 8.716 -3.905 -7.557 781 H THR 99 HN THR 99 10.333 -0.180 -6.718 782 HA THR 99 HA THR 99 8.317 1.689 -7.136 783 HB THR 99 HB THR 99 11.178 2.437 -6.536 784 HG1 THR 99 HG1 THR 99 10.734 0.845 -5.094 785 HG21 THR 99 HG21 THR 99 9.924 4.399 -6.689 786 HG22 THR 99 HG22 THR 99 9.986 4.035 -4.964 787 HG23 THR 99 HG23 THR 99 8.529 3.674 -5.889 788 H SER 100 HN SER 100 11.480 1.474 -8.776 789 HA SER 100 HA SER 100 10.924 3.657 -10.542 790 HB2 SER 100 HB2 SER 100 12.895 1.384 -10.928 791 HB3 SER 100 HB1 SER 100 12.912 2.940 -11.757 792 HG SER 100 HG SER 100 13.355 2.447 -9.000 793 H ASP 101 HN ASP 101 10.350 0.259 -10.486 794 HA ASP 101 HA ASP 101 9.667 -0.129 -13.203 795 HB2 ASP 101 HB2 ASP 101 8.864 -1.755 -10.787 796 HB3 ASP 101 HB1 ASP 101 8.781 -2.279 -12.465 797 H MET 102 HN MET 102 7.929 1.257 -10.554 798 HA MET 102 HA MET 102 5.331 0.530 -11.137 799 HB2 MET 102 HB2 MET 102 4.601 2.335 -9.824 800 HB3 MET 102 HB1 MET 102 6.179 1.931 -9.175 801 HG2 MET 102 HG2 MET 102 6.921 3.992 -9.521 802 HG3 MET 102 HG1 MET 102 6.425 3.957 -11.210 803 HE1 MET 102 HE1 MET 102 5.277 7.207 -9.115 804 HE2 MET 102 HE2 MET 102 6.679 6.150 -8.962 805 HE3 MET 102 HE3 MET 102 5.376 6.064 -7.775 806 H GLU 103 HN GLU 103 7.350 2.857 -12.807 807 HA GLU 103 HA GLU 103 5.209 3.964 -14.353 808 HB2 GLU 103 HB2 GLU 103 7.487 5.039 -13.867 809 HB3 GLU 103 HB1 GLU 103 8.118 3.992 -15.130 810 HG2 GLU 103 HG2 GLU 103 6.412 4.984 -16.673 811 HG3 GLU 103 HG1 GLU 103 6.046 6.151 -15.402 812 H ALA 104 HN ALA 104 7.878 1.765 -15.131 813 HA ALA 104 HA ALA 104 6.935 1.132 -17.721 814 HB1 ALA 104 HB1 ALA 104 8.806 -0.656 -16.249 815 HB2 ALA 104 HB2 ALA 104 9.313 0.976 -16.687 816 HB3 ALA 104 HB3 ALA 104 8.814 -0.159 -17.941 817 H VAL 105 HN VAL 105 6.254 -0.312 -14.600 818 HA VAL 105 HA VAL 105 5.614 -2.884 -15.415 819 HB VAL 105 HB VAL 105 4.047 -2.968 -13.457 820 HG11 VAL 105 HG11 VAL 105 6.924 -2.335 -13.406 821 HG12 VAL 105 HG12 VAL 105 6.058 -3.743 -12.795 822 HG13 VAL 105 HG13 VAL 105 6.083 -2.249 -11.859 823 HG21 VAL 105 HG21 VAL 105 4.847 -0.086 -13.286 824 HG22 VAL 105 HG22 VAL 105 4.337 -0.993 -11.866 825 HG23 VAL 105 HG23 VAL 105 3.231 -0.786 -13.223 826 H TRP 106 HN TRP 106 3.790 0.041 -15.941 827 HA TRP 106 HA TRP 106 1.358 -1.427 -16.539 828 HB2 TRP 106 HB2 TRP 106 1.195 0.819 -15.562 829 HB3 TRP 106 HB1 TRP 106 2.047 1.498 -16.945 830 HD1 TRP 106 HD1 TRP 106 0.339 2.824 -18.307 831 HE1 TRP 106 HE1 TRP 106 -2.053 2.419 -19.169 832 HE3 TRP 106 HE3 TRP 106 -0.562 -1.704 -16.109 833 HZ2 TRP 106 HZ2 TRP 106 -4.056 0.443 -18.945 834 HZ3 TRP 106 HZ3 TRP 106 -2.741 -2.784 -16.484 835 HH2 TRP 106 HH2 TRP 106 -4.451 -1.731 -17.872 836 H LYS 107 HN LYS 107 4.072 -0.068 -18.263 837 HA LYS 107 HA LYS 107 2.811 -0.556 -20.844 838 HB2 LYS 107 HB2 LYS 107 5.388 0.741 -19.993 839 HB3 LYS 107 HB1 LYS 107 5.094 0.314 -21.673 840 HG2 LYS 107 HG2 LYS 107 3.116 1.739 -21.700 841 HG3 LYS 107 HG1 LYS 107 3.389 2.153 -20.005 842 HD2 LYS 107 HD2 LYS 107 5.812 2.731 -21.120 843 HD3 LYS 107 HD1 LYS 107 4.705 3.149 -22.429 844 HE2 LYS 107 HE2 LYS 107 5.068 5.097 -21.070 845 HE3 LYS 107 HE1 LYS 107 3.414 4.535 -20.829 846 HZ1 LYS 107 HZ1 LYS 107 4.631 3.238 -18.872 847 HZ2 LYS 107 HZ2 LYS 107 3.995 4.794 -18.678 848 HZ3 LYS 107 HZ3 LYS 107 5.649 4.586 -18.964 849 H GLU 108 HN GLU 108 5.330 -1.845 -18.773 850 HA GLU 108 HA GLU 108 6.354 -3.656 -20.753 851 HB2 GLU 108 HB2 GLU 108 6.864 -3.137 -17.871 852 HB3 GLU 108 HB1 GLU 108 7.308 -4.714 -18.501 853 HG2 GLU 108 HG2 GLU 108 9.125 -2.985 -18.497 854 HG3 GLU 108 HG1 GLU 108 8.833 -3.793 -20.037 855 H ALA 109 HN ALA 109 3.508 -3.658 -19.048 856 HA ALA 109 HA ALA 109 1.827 -5.213 -19.046 857 HB1 ALA 109 HB1 ALA 109 2.022 -7.318 -20.058 858 HB2 ALA 109 HB2 ALA 109 3.766 -7.373 -19.808 859 HB3 ALA 109 HB3 ALA 109 3.080 -6.265 -20.995 860 H LYS 110 HN LYS 110 1.154 -7.177 -17.808 861 HA LYS 110 HA LYS 110 1.799 -6.913 -15.140 862 HB2 LYS 110 HB2 LYS 110 -0.251 -7.970 -15.927 863 HB3 LYS 110 HB1 LYS 110 0.668 -9.340 -16.531 864 HG2 LYS 110 HG2 LYS 110 1.026 -8.695 -13.677 865 HG3 LYS 110 HG1 LYS 110 -0.558 -9.309 -14.153 866 HD2 LYS 110 HD2 LYS 110 2.014 -10.662 -14.936 867 HD3 LYS 110 HD1 LYS 110 1.159 -11.037 -13.438 868 HE2 LYS 110 HE2 LYS 110 -0.142 -12.441 -14.562 869 HE3 LYS 110 HE1 LYS 110 -0.753 -11.089 -15.514 870 HZ1 LYS 110 HZ1 LYS 110 0.530 -11.629 -17.266 871 HZ2 LYS 110 HZ2 LYS 110 0.507 -13.171 -16.571 872 HZ3 LYS 110 HZ3 LYS 110 1.831 -12.149 -16.316 873 HA PRO 111 HA PRO 111 4.554 -11.041 -15.705 874 HB2 PRO 111 HB2 PRO 111 5.776 -10.006 -18.233 875 HB3 PRO 111 HB1 PRO 111 5.531 -11.675 -17.702 876 HG2 PRO 111 HG2 PRO 111 3.909 -10.600 -19.503 877 HG3 PRO 111 HG1 PRO 111 3.266 -11.648 -18.224 878 HD2 PRO 111 HD2 PRO 111 3.128 -8.686 -18.498 879 HD3 PRO 111 HD1 PRO 111 1.946 -9.812 -17.802 880 H GLU 112 HN GLU 112 5.350 -7.737 -16.632 881 HA GLU 112 HA GLU 112 8.054 -7.861 -15.723 882 HB2 GLU 112 HB2 GLU 112 6.969 -6.228 -17.414 883 HB3 GLU 112 HB1 GLU 112 6.500 -5.309 -15.990 884 HG2 GLU 112 HG2 GLU 112 9.315 -6.093 -16.021 885 HG3 GLU 112 HG1 GLU 112 8.847 -5.034 -17.350 886 H ASP 113 HN ASP 113 5.091 -6.419 -14.364 887 HA ASP 113 HA ASP 113 6.322 -5.479 -12.003 888 HB2 ASP 113 HB2 ASP 113 3.828 -5.697 -11.129 889 HB3 ASP 113 HB1 ASP 113 4.297 -4.444 -12.267 890 H LEU 114 HN LEU 114 4.916 -8.589 -12.833 891 HA LEU 114 HA LEU 114 4.600 -9.691 -10.308 892 HB2 LEU 114 HB2 LEU 114 3.944 -10.741 -12.479 893 HB3 LEU 114 HB1 LEU 114 5.632 -11.135 -12.749 894 HG LEU 114 HG LEU 114 5.279 -12.267 -10.324 895 HD11 LEU 114 HD11 LEU 114 3.182 -12.977 -9.877 896 HD12 LEU 114 HD12 LEU 114 2.741 -13.099 -11.581 897 HD13 LEU 114 HD13 LEU 114 2.749 -11.526 -10.783 898 HD21 LEU 114 HD21 LEU 114 6.208 -13.692 -11.816 899 HD22 LEU 114 HD22 LEU 114 5.113 -13.221 -13.115 900 HD23 LEU 114 HD23 LEU 114 4.568 -14.339 -11.865 901 H MET 115 HN MET 115 7.504 -9.282 -12.240 902 HA MET 115 HA MET 115 9.197 -10.799 -10.513 903 HB2 MET 115 HB2 MET 115 9.423 -9.833 -13.063 904 HB3 MET 115 HB1 MET 115 10.477 -8.742 -12.175 905 HG2 MET 115 HG2 MET 115 11.809 -10.554 -11.386 906 HG3 MET 115 HG1 MET 115 10.669 -11.738 -12.021 907 HE1 MET 115 HE1 MET 115 13.363 -8.998 -12.964 908 HE2 MET 115 HE2 MET 115 11.866 -8.425 -13.698 909 HE3 MET 115 HE3 MET 115 13.194 -8.974 -14.720 910 H ASP 116 HN ASP 116 8.360 -7.377 -10.805 911 HA ASP 116 HA ASP 116 10.336 -6.484 -8.946 912 HB2 ASP 116 HB2 ASP 116 7.844 -4.915 -9.481 913 HB3 ASP 116 HB1 ASP 116 9.501 -4.354 -9.288 914 H SER 117 HN SER 117 7.068 -7.628 -8.789 915 HA SER 117 HA SER 117 6.442 -6.736 -6.168 916 HB2 SER 117 HB2 SER 117 5.356 -9.145 -7.596 917 HB3 SER 117 HB1 SER 117 4.552 -8.201 -6.341 918 HG SER 117 HG SER 117 4.392 -6.485 -7.791 919 H LYS 118 HN LYS 118 7.641 -9.780 -7.514 920 HA LYS 118 HA LYS 118 7.689 -11.246 -5.121 921 HB2 LYS 118 HB2 LYS 118 8.296 -11.769 -7.755 922 HB3 LYS 118 HB1 LYS 118 9.876 -11.847 -6.988 923 HG2 LYS 118 HG2 LYS 118 9.366 -13.714 -5.805 924 HG3 LYS 118 HG1 LYS 118 7.658 -13.295 -5.666 925 HD2 LYS 118 HD2 LYS 118 7.140 -14.535 -7.442 926 HD3 LYS 118 HD1 LYS 118 8.379 -13.749 -8.421 927 HE2 LYS 118 HE2 LYS 118 8.843 -16.102 -8.340 928 HE3 LYS 118 HE1 LYS 118 10.067 -15.253 -7.398 929 HZ1 LYS 118 HZ1 LYS 118 8.055 -17.143 -6.536 930 HZ2 LYS 118 HZ2 LYS 118 8.230 -15.796 -5.529 931 HZ3 LYS 118 HZ3 LYS 118 9.563 -16.782 -5.860 932 H LEU 119 HN LEU 119 9.795 -8.869 -6.480 933 HA LEU 119 HA LEU 119 12.043 -9.386 -4.784 934 HB2 LEU 119 HB2 LEU 119 12.019 -8.146 -7.014 935 HB3 LEU 119 HB1 LEU 119 11.415 -6.765 -6.117 936 HG LEU 119 HG LEU 119 13.585 -7.337 -4.632 937 HD11 LEU 119 HD11 LEU 119 14.649 -9.027 -5.718 938 HD12 LEU 119 HD12 LEU 119 15.355 -7.658 -6.577 939 HD13 LEU 119 HD13 LEU 119 14.021 -8.559 -7.298 940 HD21 LEU 119 HD21 LEU 119 14.340 -5.797 -6.983 941 HD22 LEU 119 HD22 LEU 119 14.200 -5.298 -5.298 942 HD23 LEU 119 HD23 LEU 119 12.771 -5.328 -6.330 943 H ARG 120 HN ARG 120 9.522 -6.872 -4.758 944 HA ARG 120 HA ARG 120 10.389 -5.773 -2.272 945 HB2 ARG 120 HB2 ARG 120 8.485 -4.331 -2.416 946 HB3 ARG 120 HB1 ARG 120 9.168 -4.489 -4.026 947 HG2 ARG 120 HG2 ARG 120 7.171 -5.053 -4.784 948 HG3 ARG 120 HG1 ARG 120 7.224 -6.506 -3.787 949 HD2 ARG 120 HD2 ARG 120 5.969 -5.565 -2.105 950 HD3 ARG 120 HD1 ARG 120 6.451 -3.921 -2.526 951 HE ARG 120 HE ARG 120 4.814 -5.246 -4.502 952 HH11 ARG 120 HH11 ARG 120 4.845 -3.220 -1.657 953 HH12 ARG 120 HH12 ARG 120 3.286 -2.537 -1.977 954 HH21 ARG 120 HH21 ARG 120 2.764 -4.348 -4.920 955 HH22 ARG 120 HH22 ARG 120 2.105 -3.177 -3.827 956 H CYS 121 HN CYS 121 8.021 -8.169 -3.212 957 HA CYS 121 HA CYS 121 6.610 -8.275 -0.767 958 HB2 CYS 121 HB2 CYS 121 6.911 -10.204 -3.057 959 HB3 CYS 121 HB1 CYS 121 5.950 -10.598 -1.636 960 HG CYS 121 HG CYS 121 5.192 -8.545 -3.802 961 H VAL 122 HN VAL 122 9.480 -9.961 -1.936 962 HA VAL 122 HA VAL 122 9.569 -11.786 0.269 963 HB VAL 122 HB VAL 122 10.613 -12.351 -1.877 964 HG11 VAL 122 HG11 VAL 122 11.422 -10.142 -2.503 965 HG12 VAL 122 HG12 VAL 122 12.728 -11.324 -2.544 966 HG13 VAL 122 HG13 VAL 122 12.606 -10.192 -1.199 967 HG21 VAL 122 HG21 VAL 122 12.932 -12.246 -0.031 968 HG22 VAL 122 HG22 VAL 122 12.264 -13.603 -0.938 969 HG23 VAL 122 HG23 VAL 122 11.472 -13.054 0.539 970 H PHE 123 HN PHE 123 11.231 -8.759 -0.524 971 HA PHE 123 HA PHE 123 12.893 -8.766 1.783 972 HB2 PHE 123 HB2 PHE 123 12.356 -6.985 -0.467 973 HB3 PHE 123 HB1 PHE 123 12.644 -6.109 1.034 974 HD1 PHE 123 HD1 PHE 123 14.787 -6.304 2.194 975 HD2 PHE 123 HD2 PHE 123 14.103 -8.207 -1.551 976 HE1 PHE 123 HE1 PHE 123 17.211 -6.612 1.912 977 HE2 PHE 123 HE2 PHE 123 16.526 -8.519 -1.839 978 HZ PHE 123 HZ PHE 123 18.084 -7.722 -0.106 979 H GLU 124 HN GLU 124 9.684 -7.549 1.086 980 HA GLU 124 HA GLU 124 9.423 -5.911 3.384 981 HB2 GLU 124 HB2 GLU 124 7.990 -5.816 1.311 982 HB3 GLU 124 HB1 GLU 124 7.188 -7.272 1.880 983 HG2 GLU 124 HG2 GLU 124 6.744 -5.920 4.027 984 HG3 GLU 124 HG1 GLU 124 7.129 -4.516 3.033 985 H LEU 125 HN LEU 125 8.574 -9.276 2.707 986 HA LEU 125 HA LEU 125 8.173 -11.043 4.085 987 HB2 LEU 125 HB2 LEU 125 9.793 -9.258 5.667 988 HB3 LEU 125 HB1 LEU 125 8.631 -10.080 6.689 989 HG LEU 125 HG LEU 125 10.670 -11.342 6.675 990 HD11 LEU 125 HD11 LEU 125 9.639 -13.365 5.135 991 HD12 LEU 125 HD12 LEU 125 8.210 -12.413 5.536 992 HD13 LEU 125 HD13 LEU 125 9.236 -13.045 6.821 993 HD21 LEU 125 HD21 LEU 125 11.120 -10.367 4.213 994 HD22 LEU 125 HD22 LEU 125 10.573 -11.992 3.799 995 HD23 LEU 125 HD23 LEU 125 11.956 -11.775 4.871 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -12.680 12.682 0.842 2 H2 MET 1 HT2 MET 1 -11.872 11.227 0.424 3 H3 MET 1 HT3 MET 1 -13.393 11.599 -0.279 4 HA MET 1 HA MET 1 -12.540 13.281 -1.559 5 HB2 MET 1 HB2 MET 1 -10.558 13.316 0.589 6 HB3 MET 1 HB1 MET 1 -9.834 13.506 -1.002 7 HG2 MET 1 HG2 MET 1 -12.219 15.147 -0.464 8 HG3 MET 1 HG1 MET 1 -10.777 15.540 0.469 9 HE1 MET 1 HE1 MET 1 -11.968 14.540 -3.020 10 HE2 MET 1 HE2 MET 1 -10.287 14.068 -3.263 11 HE3 MET 1 HE3 MET 1 -10.944 15.458 -4.126 12 H ALA 2 HN ALA 2 -12.670 10.396 -1.694 13 HA ALA 2 HA ALA 2 -10.310 9.781 -3.342 14 HB1 ALA 2 HB1 ALA 2 -12.129 8.102 -1.686 15 HB2 ALA 2 HB2 ALA 2 -10.370 8.083 -1.804 16 HB3 ALA 2 HB3 ALA 2 -11.347 7.380 -3.093 17 H LYS 3 HN LYS 3 -10.670 10.193 -5.427 18 HA LYS 3 HA LYS 3 -13.163 10.447 -6.653 19 HB2 LYS 3 HB2 LYS 3 -10.974 11.296 -7.530 20 HB3 LYS 3 HB1 LYS 3 -10.605 9.655 -8.037 21 HG2 LYS 3 HG2 LYS 3 -12.636 9.686 -9.452 22 HG3 LYS 3 HG1 LYS 3 -12.879 11.375 -9.003 23 HD2 LYS 3 HD2 LYS 3 -10.195 11.092 -9.875 24 HD3 LYS 3 HD1 LYS 3 -11.230 10.291 -11.058 25 HE2 LYS 3 HE2 LYS 3 -11.319 12.406 -11.889 26 HE3 LYS 3 HE1 LYS 3 -12.656 12.505 -10.743 27 HZ1 LYS 3 HZ1 LYS 3 -11.455 13.794 -9.310 28 HZ2 LYS 3 HZ2 LYS 3 -10.801 14.316 -10.780 29 HZ3 LYS 3 HZ3 LYS 3 -9.956 13.201 -9.829 30 H VAL 4 HN VAL 4 -14.632 8.919 -6.717 31 HA VAL 4 HA VAL 4 -14.286 6.194 -6.490 32 HB VAL 4 HB VAL 4 -16.516 7.486 -8.056 33 HG11 VAL 4 HG11 VAL 4 -17.826 5.579 -7.194 34 HG12 VAL 4 HG12 VAL 4 -16.355 4.925 -6.475 35 HG13 VAL 4 HG13 VAL 4 -16.487 5.077 -8.226 36 HG21 VAL 4 HG21 VAL 4 -16.050 7.296 -5.098 37 HG22 VAL 4 HG22 VAL 4 -17.676 7.418 -5.769 38 HG23 VAL 4 HG23 VAL 4 -16.503 8.703 -6.060 39 H GLU 5 HN GLU 5 -14.474 8.125 -9.470 40 HA GLU 5 HA GLU 5 -14.437 5.932 -11.244 41 HB2 GLU 5 HB2 GLU 5 -14.833 8.582 -11.547 42 HB3 GLU 5 HB1 GLU 5 -13.182 8.460 -12.138 43 HG2 GLU 5 HG2 GLU 5 -14.154 6.483 -13.547 44 HG3 GLU 5 HG1 GLU 5 -15.687 7.303 -13.252 45 H GLN 6 HN GLN 6 -11.799 8.059 -10.128 46 HA GLN 6 HA GLN 6 -9.776 6.624 -11.532 47 HB2 GLN 6 HB2 GLN 6 -9.876 8.842 -9.580 48 HB3 GLN 6 HB1 GLN 6 -8.393 7.902 -9.575 49 HG2 GLN 6 HG2 GLN 6 -8.371 8.288 -12.109 50 HG3 GLN 6 HG1 GLN 6 -9.572 9.537 -11.792 51 HE21 GLN 6 1HE2 GLN 6 -8.472 11.387 -12.128 52 HE22 GLN 6 2HE2 GLN 6 -7.002 11.823 -11.329 53 H VAL 7 HN VAL 7 -11.147 6.441 -8.322 54 HA VAL 7 HA VAL 7 -9.192 4.559 -7.351 55 HB VAL 7 HB VAL 7 -11.775 5.463 -6.080 56 HG11 VAL 7 HG11 VAL 7 -9.437 3.886 -5.028 57 HG12 VAL 7 HG12 VAL 7 -11.138 3.422 -5.064 58 HG13 VAL 7 HG13 VAL 7 -10.596 4.702 -3.979 59 HG21 VAL 7 HG21 VAL 7 -9.063 6.387 -5.241 60 HG22 VAL 7 HG22 VAL 7 -10.631 7.168 -5.034 61 HG23 VAL 7 HG23 VAL 7 -9.856 7.152 -6.619 62 H LEU 8 HN LEU 8 -12.172 4.285 -9.069 63 HA LEU 8 HA LEU 8 -13.217 1.925 -8.032 64 HB2 LEU 8 HB2 LEU 8 -14.346 3.316 -9.722 65 HB3 LEU 8 HB1 LEU 8 -13.184 2.791 -10.924 66 HG LEU 8 HG LEU 8 -14.074 0.395 -10.209 67 HD11 LEU 8 HD11 LEU 8 -16.528 0.526 -9.833 68 HD12 LEU 8 HD12 LEU 8 -16.348 2.259 -9.559 69 HD13 LEU 8 HD13 LEU 8 -15.564 1.107 -8.476 70 HD21 LEU 8 HD21 LEU 8 -15.426 0.403 -12.143 71 HD22 LEU 8 HD22 LEU 8 -14.134 1.565 -12.452 72 HD23 LEU 8 HD23 LEU 8 -15.743 2.133 -12.006 73 H SER 9 HN SER 9 -10.855 2.300 -10.668 74 HA SER 9 HA SER 9 -9.385 0.846 -11.621 75 HB2 SER 9 HB2 SER 9 -8.812 -0.882 -9.432 76 HB3 SER 9 HB1 SER 9 -7.877 0.494 -10.014 77 HG SER 9 HG SER 9 -9.841 0.414 -7.980 78 H LEU 10 HN LEU 10 -12.382 -0.234 -11.006 79 HA LEU 10 HA LEU 10 -11.881 -3.065 -11.241 80 HB2 LEU 10 HB2 LEU 10 -14.295 -1.401 -10.857 81 HB3 LEU 10 HB1 LEU 10 -14.499 -2.969 -11.618 82 HG LEU 10 HG LEU 10 -12.999 -3.706 -9.518 83 HD11 LEU 10 HD11 LEU 10 -13.791 -1.038 -8.902 84 HD12 LEU 10 HD12 LEU 10 -12.859 -2.172 -7.925 85 HD13 LEU 10 HD13 LEU 10 -14.618 -2.144 -7.806 86 HD21 LEU 10 HD21 LEU 10 -15.877 -3.362 -8.919 87 HD22 LEU 10 HD22 LEU 10 -14.860 -4.801 -8.827 88 HD23 LEU 10 HD23 LEU 10 -15.462 -4.244 -10.389 89 H GLU 11 HN GLU 11 -12.289 -0.488 -13.478 90 HA GLU 11 HA GLU 11 -13.579 -1.901 -15.556 91 HB2 GLU 11 HB2 GLU 11 -12.627 0.674 -15.226 92 HB3 GLU 11 HB1 GLU 11 -11.566 0.024 -16.468 93 HG2 GLU 11 HG2 GLU 11 -13.235 0.879 -17.759 94 HG3 GLU 11 HG1 GLU 11 -13.822 -0.767 -17.539 95 HA PRO 12 HA PRO 12 -9.292 -3.417 -16.858 96 HB2 PRO 12 HB2 PRO 12 -7.068 -2.427 -15.766 97 HB3 PRO 12 HB1 PRO 12 -7.988 -1.471 -16.935 98 HG2 PRO 12 HG2 PRO 12 -7.777 -1.161 -13.994 99 HG3 PRO 12 HG1 PRO 12 -8.091 0.062 -15.235 100 HD2 PRO 12 HD2 PRO 12 -9.997 -1.292 -13.580 101 HD3 PRO 12 HD1 PRO 12 -10.318 -0.110 -14.862 102 H GLN 13 HN GLN 13 -9.094 -5.523 -16.114 103 HA GLN 13 HA GLN 13 -9.423 -6.176 -13.401 104 HB2 GLN 13 HB2 GLN 13 -9.523 -7.613 -15.664 105 HB3 GLN 13 HB1 GLN 13 -7.903 -8.057 -15.147 106 HG2 GLN 13 HG2 GLN 13 -9.353 -8.355 -12.847 107 HG3 GLN 13 HG1 GLN 13 -10.496 -8.860 -14.091 108 HE21 GLN 13 1HE2 GLN 13 -10.483 -10.962 -14.363 109 HE22 GLN 13 2HE2 GLN 13 -9.101 -11.996 -14.297 110 H HIS 14 HN HIS 14 -6.657 -5.142 -15.184 111 HA HIS 14 HA HIS 14 -4.495 -4.754 -14.612 112 HB2 HIS 14 HB2 HIS 14 -5.905 -4.715 -11.981 113 HB3 HIS 14 HB1 HIS 14 -4.146 -4.656 -11.998 114 HD1 HIS 14 HD1 HIS 14 -5.334 -2.949 -14.922 115 HD2 HIS 14 HD2 HIS 14 -4.893 -1.975 -10.906 116 HE1 HIS 14 HE1 HIS 14 -5.370 -0.437 -14.832 117 HE2 HIS 14 HE2 HIS 14 -5.009 0.131 -12.404 118 H GLU 15 HN GLU 15 -2.738 -5.965 -14.659 119 HA GLU 15 HA GLU 15 -2.425 -8.278 -12.956 120 HB2 GLU 15 HB2 GLU 15 -2.596 -8.528 -15.962 121 HB3 GLU 15 HB1 GLU 15 -1.899 -9.764 -14.924 122 HG2 GLU 15 HG2 GLU 15 -4.186 -9.638 -13.694 123 HG3 GLU 15 HG1 GLU 15 -4.741 -8.902 -15.196 124 H LEU 16 HN LEU 16 -0.729 -6.835 -12.209 125 HA LEU 16 HA LEU 16 1.664 -7.025 -13.904 126 HB2 LEU 16 HB2 LEU 16 1.131 -4.618 -12.189 127 HB3 LEU 16 HB1 LEU 16 2.329 -4.810 -13.452 128 HG LEU 16 HG LEU 16 -0.476 -5.067 -14.331 129 HD11 LEU 16 HD11 LEU 16 0.512 -2.694 -12.894 130 HD12 LEU 16 HD12 LEU 16 -1.137 -3.256 -13.166 131 HD13 LEU 16 HD13 LEU 16 -0.281 -2.385 -14.438 132 HD21 LEU 16 HD21 LEU 16 1.161 -5.138 -16.012 133 HD22 LEU 16 HD22 LEU 16 2.043 -3.771 -15.330 134 HD23 LEU 16 HD23 LEU 16 0.481 -3.513 -16.107 135 H LYS 17 HN LYS 17 1.027 -5.686 -10.649 136 HA LYS 17 HA LYS 17 2.768 -7.766 -9.529 137 HB2 LYS 17 HB2 LYS 17 3.908 -6.075 -8.145 138 HB3 LYS 17 HB1 LYS 17 4.175 -5.810 -9.863 139 HG2 LYS 17 HG2 LYS 17 2.715 -3.963 -9.909 140 HG3 LYS 17 HG1 LYS 17 2.051 -4.351 -8.323 141 HD2 LYS 17 HD2 LYS 17 4.965 -3.747 -8.642 142 HD3 LYS 17 HD1 LYS 17 3.787 -2.438 -8.535 143 HE2 LYS 17 HE2 LYS 17 2.948 -3.559 -6.421 144 HE3 LYS 17 HE1 LYS 17 4.393 -4.567 -6.498 145 HZ1 LYS 17 HZ1 LYS 17 4.288 -2.245 -5.211 146 HZ2 LYS 17 HZ2 LYS 17 4.828 -1.704 -6.720 147 HZ3 LYS 17 HZ3 LYS 17 5.713 -2.872 -5.876 148 H PHE 18 HN PHE 18 0.179 -8.130 -9.269 149 HA PHE 18 HA PHE 18 -0.261 -7.732 -6.444 150 HB2 PHE 18 HB2 PHE 18 -1.562 -6.047 -8.419 151 HB3 PHE 18 HB1 PHE 18 -2.736 -6.931 -7.452 152 HD1 PHE 18 HD1 PHE 18 -0.097 -4.406 -7.413 153 HD2 PHE 18 HD2 PHE 18 -2.956 -6.528 -5.084 154 HE1 PHE 18 HE1 PHE 18 0.191 -2.782 -5.587 155 HE2 PHE 18 HE2 PHE 18 -2.676 -4.907 -3.254 156 HZ PHE 18 HZ PHE 18 -1.101 -3.031 -3.504 157 H ARG 19 HN ARG 19 0.148 -10.146 -7.226 158 HA ARG 19 HA ARG 19 -1.735 -11.675 -8.520 159 HB2 ARG 19 HB2 ARG 19 0.436 -12.501 -7.586 160 HB3 ARG 19 HB1 ARG 19 -0.297 -12.495 -5.988 161 HG2 ARG 19 HG2 ARG 19 -1.781 -14.230 -6.544 162 HG3 ARG 19 HG1 ARG 19 -1.454 -14.062 -8.270 163 HD2 ARG 19 HD2 ARG 19 1.026 -14.547 -7.039 164 HD3 ARG 19 HD1 ARG 19 -0.116 -15.677 -6.311 165 HE ARG 19 HE ARG 19 -0.244 -15.551 -9.187 166 HH11 ARG 19 HH11 ARG 19 1.276 -17.073 -6.437 167 HH12 ARG 19 HH12 ARG 19 1.720 -18.498 -7.314 168 HH21 ARG 19 HH21 ARG 19 0.339 -17.425 -10.341 169 HH22 ARG 19 HH22 ARG 19 1.190 -18.698 -9.530 170 H GLY 20 HN GLY 20 -3.435 -13.168 -7.560 171 HA2 GLY 20 HA2 GLY 20 -5.454 -13.332 -6.441 172 HA3 GLY 20 HA1 GLY 20 -4.575 -12.736 -5.039 173 HA PRO 21 HA PRO 21 -5.799 -8.487 -6.989 174 HB2 PRO 21 HB2 PRO 21 -7.509 -8.944 -9.211 175 HB3 PRO 21 HB1 PRO 21 -5.897 -8.228 -9.237 176 HG2 PRO 21 HG2 PRO 21 -6.742 -11.003 -9.839 177 HG3 PRO 21 HG1 PRO 21 -5.364 -10.082 -10.466 178 HD2 PRO 21 HD2 PRO 21 -5.054 -12.060 -8.668 179 HD3 PRO 21 HD1 PRO 21 -4.025 -10.611 -8.654 180 H PHE 22 HN PHE 22 -7.972 -11.208 -7.567 181 HA PHE 22 HA PHE 22 -10.308 -9.880 -6.663 182 HB2 PHE 22 HB2 PHE 22 -9.729 -12.835 -6.939 183 HB3 PHE 22 HB1 PHE 22 -11.322 -12.131 -6.681 184 HD1 PHE 22 HD2 PHE 22 -12.227 -10.550 -8.448 185 HD2 PHE 22 HD1 PHE 22 -8.857 -13.069 -9.087 186 HE1 PHE 22 HE2 PHE 22 -12.517 -10.316 -10.880 187 HE2 PHE 22 HE1 PHE 22 -9.140 -12.838 -11.519 188 HZ PHE 22 HZ PHE 22 -10.973 -11.461 -12.419 189 H THR 23 HN THR 23 -8.127 -12.238 -5.101 190 HA THR 23 HA THR 23 -9.637 -12.317 -2.693 191 HB THR 23 HB THR 23 -7.431 -13.352 -1.805 192 HG1 THR 23 HG1 THR 23 -5.839 -13.335 -3.144 193 HG21 THR 23 HG21 THR 23 -8.975 -14.974 -2.178 194 HG22 THR 23 HG22 THR 23 -7.805 -15.384 -3.431 195 HG23 THR 23 HG23 THR 23 -9.260 -14.479 -3.847 196 H ASP 24 HN ASP 24 -6.494 -10.838 -3.428 197 HA ASP 24 HA ASP 24 -6.251 -9.612 -0.886 198 HB2 ASP 24 HB2 ASP 24 -4.766 -9.455 -3.469 199 HB3 ASP 24 HB1 ASP 24 -4.465 -8.230 -2.238 200 H VAL 25 HN VAL 25 -7.009 -8.271 -4.085 201 HA VAL 25 HA VAL 25 -7.293 -5.618 -3.120 202 HB VAL 25 HB VAL 25 -8.574 -6.583 -5.655 203 HG11 VAL 25 HG11 VAL 25 -8.668 -4.411 -6.269 204 HG12 VAL 25 HG12 VAL 25 -7.181 -3.992 -5.416 205 HG13 VAL 25 HG13 VAL 25 -8.691 -4.167 -4.522 206 HG21 VAL 25 HG21 VAL 25 -6.513 -6.338 -6.808 207 HG22 VAL 25 HG22 VAL 25 -6.185 -7.376 -5.423 208 HG23 VAL 25 HG23 VAL 25 -5.715 -5.679 -5.382 209 H VAL 26 HN VAL 26 -9.844 -8.041 -3.841 210 HA VAL 26 HA VAL 26 -11.985 -6.295 -3.599 211 HB VAL 26 HB VAL 26 -13.451 -8.134 -3.228 212 HG11 VAL 26 HG11 VAL 26 -11.222 -8.520 -5.161 213 HG12 VAL 26 HG12 VAL 26 -12.917 -8.132 -5.452 214 HG13 VAL 26 HG13 VAL 26 -12.453 -9.773 -5.001 215 HG21 VAL 26 HG21 VAL 26 -10.992 -9.513 -2.261 216 HG22 VAL 26 HG22 VAL 26 -12.290 -10.468 -2.980 217 HG23 VAL 26 HG23 VAL 26 -12.611 -9.470 -1.562 218 H THR 27 HN THR 27 -10.202 -7.848 -0.964 219 HA THR 27 HA THR 27 -12.097 -7.424 1.044 220 HB THR 27 HB THR 27 -9.084 -7.222 1.258 221 HG1 THR 27 HG1 THR 27 -9.139 -9.375 1.670 222 HG21 THR 27 HG21 THR 27 -10.202 -8.316 3.591 223 HG22 THR 27 HG22 THR 27 -11.086 -6.829 3.246 224 HG23 THR 27 HG23 THR 27 -9.330 -6.794 3.408 225 H THR 28 HN THR 28 -9.474 -5.333 -0.055 226 HA THR 28 HA THR 28 -10.264 -3.092 1.533 227 HB THR 28 HB THR 28 -8.432 -3.210 -0.870 228 HG1 THR 28 HG1 THR 28 -7.832 -3.309 1.899 229 HG21 THR 28 HG21 THR 28 -7.848 -1.230 1.167 230 HG22 THR 28 HG22 THR 28 -9.389 -0.947 0.357 231 HG23 THR 28 HG23 THR 28 -7.905 -1.073 -0.589 232 H ASN 29 HN ASN 29 -10.460 -3.838 -1.918 233 HA ASN 29 HA ASN 29 -11.793 -1.474 -2.672 234 HB2 ASN 29 HB2 ASN 29 -11.040 -4.013 -3.973 235 HB3 ASN 29 HB1 ASN 29 -12.364 -3.125 -4.718 236 HD21 ASN 29 1HE2 ASN 29 -11.897 -1.479 -6.008 237 HD22 ASN 29 2HE2 ASN 29 -10.334 -0.765 -6.194 238 H LEU 30 HN LEU 30 -13.092 -4.620 -1.676 239 HA LEU 30 HA LEU 30 -15.638 -4.342 -2.783 240 HB2 LEU 30 HB2 LEU 30 -16.417 -6.010 -1.325 241 HB3 LEU 30 HB1 LEU 30 -14.742 -6.397 -1.643 242 HG LEU 30 HG LEU 30 -14.399 -5.039 0.634 243 HD11 LEU 30 HD11 LEU 30 -16.161 -5.018 2.077 244 HD12 LEU 30 HD12 LEU 30 -16.926 -6.423 1.336 245 HD13 LEU 30 HD13 LEU 30 -17.049 -4.843 0.563 246 HD21 LEU 30 HD21 LEU 30 -13.957 -7.061 1.603 247 HD22 LEU 30 HD22 LEU 30 -14.006 -7.541 -0.093 248 HD23 LEU 30 HD23 LEU 30 -15.405 -7.819 0.944 249 H LYS 31 HN LYS 31 -14.545 -3.280 0.438 250 HA LYS 31 HA LYS 31 -17.056 -1.818 0.755 251 HB2 LYS 31 HB2 LYS 31 -15.271 -3.114 2.552 252 HB3 LYS 31 HB1 LYS 31 -15.275 -1.401 2.954 253 HG2 LYS 31 HG2 LYS 31 -17.843 -1.616 2.869 254 HG3 LYS 31 HG1 LYS 31 -17.542 -3.351 2.991 255 HD2 LYS 31 HD2 LYS 31 -16.149 -2.862 5.027 256 HD3 LYS 31 HD1 LYS 31 -16.741 -1.201 4.943 257 HE2 LYS 31 HE2 LYS 31 -18.516 -3.629 5.139 258 HE3 LYS 31 HE1 LYS 31 -18.005 -2.660 6.521 259 HZ1 LYS 31 HZ1 LYS 31 -18.984 -0.742 5.040 260 HZ2 LYS 31 HZ2 LYS 31 -19.979 -1.669 6.046 261 HZ3 LYS 31 HZ3 LYS 31 -19.901 -2.009 4.390 262 H LEU 32 HN LEU 32 -14.348 -1.231 -0.838 263 HA LEU 32 HA LEU 32 -12.934 0.547 -1.206 264 HB2 LEU 32 HB2 LEU 32 -15.523 0.989 -2.044 265 HB3 LEU 32 HB1 LEU 32 -15.131 2.470 -1.191 266 HG LEU 32 HG LEU 32 -13.412 1.321 -3.401 267 HD11 LEU 32 HD11 LEU 32 -15.017 3.745 -3.881 268 HD12 LEU 32 HD12 LEU 32 -15.915 2.229 -3.815 269 HD13 LEU 32 HD13 LEU 32 -14.594 2.424 -4.968 270 HD21 LEU 32 HD21 LEU 32 -12.158 3.240 -3.265 271 HD22 LEU 32 HD22 LEU 32 -12.569 2.995 -1.568 272 HD23 LEU 32 HD23 LEU 32 -13.460 4.174 -2.530 273 H GLY 33 HN GLY 33 -13.149 0.021 1.571 274 HA2 GLY 33 HA2 GLY 33 -12.733 0.956 3.621 275 HA3 GLY 33 HA1 GLY 33 -11.873 2.176 2.699 276 H ASN 34 HN ASN 34 -15.028 1.324 4.085 277 HA ASN 34 HA ASN 34 -15.970 4.053 3.702 278 HB2 ASN 34 HB2 ASN 34 -17.209 1.471 4.169 279 HB3 ASN 34 HB1 ASN 34 -17.821 2.677 5.297 280 HD21 ASN 34 1HE2 ASN 34 -18.417 1.283 2.445 281 HD22 ASN 34 2HE2 ASN 34 -19.265 2.557 1.642 282 HA PRO 35 HA PRO 35 -15.548 3.997 8.424 283 HB2 PRO 35 HB2 PRO 35 -15.238 1.752 9.790 284 HB3 PRO 35 HB1 PRO 35 -16.785 2.103 9.011 285 HG2 PRO 35 HG2 PRO 35 -14.618 0.238 8.161 286 HG3 PRO 35 HG1 PRO 35 -16.375 0.047 8.037 287 HD2 PRO 35 HD2 PRO 35 -14.637 0.925 5.999 288 HD3 PRO 35 HD1 PRO 35 -16.409 1.018 5.988 289 H THR 36 HN THR 36 -13.415 4.636 7.077 290 HA THR 36 HA THR 36 -11.073 3.194 8.040 291 HB THR 36 HB THR 36 -10.743 5.665 6.440 292 HG1 THR 36 HG1 THR 36 -11.984 3.336 5.408 293 HG21 THR 36 HG21 THR 36 -8.763 4.675 6.275 294 HG22 THR 36 HG22 THR 36 -9.540 3.609 5.105 295 HG23 THR 36 HG23 THR 36 -9.396 3.113 6.793 296 H ASP 37 HN ASP 37 -9.329 5.522 7.990 297 HA ASP 37 HA ASP 37 -9.364 6.219 10.689 298 HB2 ASP 37 HB2 ASP 37 -7.417 6.360 9.055 299 HB3 ASP 37 HB1 ASP 37 -8.106 7.886 8.511 300 H ARG 38 HN ARG 38 -10.373 7.739 11.838 301 HA ARG 38 HA ARG 38 -11.669 9.520 12.404 302 HB2 ARG 38 HB2 ARG 38 -10.155 10.395 10.172 303 HB3 ARG 38 HB1 ARG 38 -11.782 11.025 9.980 304 HG2 ARG 38 HG2 ARG 38 -10.917 12.704 11.220 305 HG3 ARG 38 HG1 ARG 38 -11.418 11.646 12.539 306 HD2 ARG 38 HD2 ARG 38 -9.056 10.637 12.332 307 HD3 ARG 38 HD1 ARG 38 -8.674 12.096 11.420 308 HE ARG 38 HE ARG 38 -8.569 13.211 13.399 309 HH11 ARG 38 HH11 ARG 38 -10.583 10.396 13.853 310 HH12 ARG 38 HH12 ARG 38 -10.805 10.675 15.548 311 HH21 ARG 38 HH21 ARG 38 -8.860 13.578 15.627 312 HH22 ARG 38 HH22 ARG 38 -9.827 12.481 16.555 313 H ASN 39 HN ASN 39 -12.993 7.298 11.681 314 HA ASN 39 HA ASN 39 -15.379 8.391 10.362 315 HB2 ASN 39 HB2 ASN 39 -13.807 6.043 9.582 316 HB3 ASN 39 HB1 ASN 39 -15.525 5.711 9.760 317 HD21 ASN 39 1HE2 ASN 39 -13.140 7.643 8.085 318 HD22 ASN 39 2HE2 ASN 39 -14.144 8.067 6.745 319 H VAL 40 HN VAL 40 -17.070 8.323 11.666 320 HA VAL 40 HA VAL 40 -17.000 6.995 14.173 321 HB VAL 40 HB VAL 40 -19.339 7.745 14.418 322 HG11 VAL 40 HG11 VAL 40 -18.718 9.865 14.883 323 HG12 VAL 40 HG12 VAL 40 -18.042 10.135 13.277 324 HG13 VAL 40 HG13 VAL 40 -17.114 9.249 14.486 325 HG21 VAL 40 HG21 VAL 40 -19.058 8.136 11.509 326 HG22 VAL 40 HG22 VAL 40 -19.912 9.411 12.378 327 HG23 VAL 40 HG23 VAL 40 -20.484 7.745 12.471 328 H CYS 41 HN CYS 41 -16.495 4.855 12.965 329 HA CYS 41 HA CYS 41 -18.975 3.336 12.961 330 HB2 CYS 41 HB2 CYS 41 -18.572 3.934 10.593 331 HB3 CYS 41 HB1 CYS 41 -17.009 3.132 10.673 332 HG CYS 41 HG CYS 41 -19.261 1.707 9.773 333 H PHE 42 HN PHE 42 -15.816 2.248 11.744 334 HA PHE 42 HA PHE 42 -14.678 1.264 14.051 335 HB2 PHE 42 HB2 PHE 42 -17.064 -0.090 13.667 336 HB3 PHE 42 HB1 PHE 42 -15.879 -1.179 12.961 337 HD1 PHE 42 HD1 PHE 42 -16.329 0.906 16.024 338 HD2 PHE 42 HD2 PHE 42 -14.908 -2.731 14.331 339 HE1 PHE 42 HE1 PHE 42 -15.732 0.098 18.270 340 HE2 PHE 42 HE2 PHE 42 -14.311 -3.547 16.575 341 HZ PHE 42 HZ PHE 42 -14.722 -2.132 18.548 342 H LYS 43 HN LYS 43 -13.939 -1.384 13.094 343 HA LYS 43 HA LYS 43 -12.497 -2.420 11.675 344 HB2 LYS 43 HB2 LYS 43 -14.060 -0.721 9.976 345 HB3 LYS 43 HB1 LYS 43 -12.406 -0.730 9.392 346 HG2 LYS 43 HG2 LYS 43 -13.299 -3.393 10.071 347 HG3 LYS 43 HG1 LYS 43 -14.371 -2.626 8.899 348 HD2 LYS 43 HD2 LYS 43 -12.788 -2.591 7.273 349 HD3 LYS 43 HD1 LYS 43 -11.466 -2.345 8.414 350 HE2 LYS 43 HE2 LYS 43 -10.965 -4.488 7.986 351 HE3 LYS 43 HE1 LYS 43 -12.304 -4.853 9.074 352 HZ1 LYS 43 HZ1 LYS 43 -12.561 -6.085 7.051 353 HZ2 LYS 43 HZ2 LYS 43 -12.428 -4.683 6.112 354 HZ3 LYS 43 HZ3 LYS 43 -13.772 -4.904 7.115 355 H VAL 44 HN VAL 44 -10.727 -1.136 9.744 356 HA VAL 44 HA VAL 44 -8.469 -0.717 11.123 357 HB VAL 44 HB VAL 44 -7.748 0.871 9.246 358 HG11 VAL 44 HG11 VAL 44 -8.537 -1.970 9.082 359 HG12 VAL 44 HG12 VAL 44 -6.962 -1.211 8.848 360 HG13 VAL 44 HG13 VAL 44 -8.163 -1.167 7.557 361 HG21 VAL 44 HG21 VAL 44 -10.581 0.306 8.468 362 HG22 VAL 44 HG22 VAL 44 -9.352 0.528 7.225 363 HG23 VAL 44 HG23 VAL 44 -9.674 1.817 8.385 364 H LYS 45 HN LYS 45 -11.077 1.604 10.943 365 HA LYS 45 HA LYS 45 -9.796 3.978 11.504 366 HB2 LYS 45 HB2 LYS 45 -11.848 4.810 12.272 367 HB3 LYS 45 HB1 LYS 45 -12.302 3.531 11.157 368 HG2 LYS 45 HG2 LYS 45 -13.597 2.727 12.765 369 HG3 LYS 45 HG1 LYS 45 -12.125 2.261 13.620 370 HD2 LYS 45 HD2 LYS 45 -12.116 4.588 14.610 371 HD3 LYS 45 HD1 LYS 45 -13.737 4.785 13.941 372 HE2 LYS 45 HE2 LYS 45 -13.421 2.302 15.428 373 HE3 LYS 45 HE1 LYS 45 -13.108 3.731 16.412 374 HZ1 LYS 45 HZ1 LYS 45 -15.472 3.834 14.723 375 HZ2 LYS 45 HZ2 LYS 45 -15.248 4.381 16.307 376 HZ3 LYS 45 HZ3 LYS 45 -15.534 2.740 16.012 377 H THR 46 HN THR 46 -9.121 5.043 13.377 378 HA THR 46 HA THR 46 -7.863 5.080 15.296 379 HB THR 46 HB THR 46 -10.221 5.379 16.067 380 HG1 THR 46 HG1 THR 46 -8.345 4.124 17.765 381 HG21 THR 46 HG21 THR 46 -10.040 2.467 16.805 382 HG22 THR 46 HG22 THR 46 -11.124 3.173 15.607 383 HG23 THR 46 HG23 THR 46 -11.303 3.589 17.311 384 H THR 47 HN THR 47 -7.255 2.841 13.650 385 HA THR 47 HA THR 47 -7.189 0.346 14.711 386 HB THR 47 HB THR 47 -4.576 0.735 13.725 387 HG1 THR 47 HG1 THR 47 -6.405 2.086 12.055 388 HG21 THR 47 HG21 THR 47 -5.219 -0.964 12.479 389 HG22 THR 47 HG22 THR 47 -6.334 0.075 11.593 390 HG23 THR 47 HG23 THR 47 -6.872 -0.752 13.054 391 H ALA 48 HN ALA 48 -5.398 -0.863 15.743 392 HA ALA 48 HA ALA 48 -4.023 0.725 17.807 393 HB1 ALA 48 HB1 ALA 48 -4.543 -1.751 18.972 394 HB2 ALA 48 HB2 ALA 48 -6.045 -1.305 18.163 395 HB3 ALA 48 HB3 ALA 48 -5.325 -0.215 19.347 396 HA PRO 49 HA PRO 49 -0.372 -1.592 16.952 397 HB2 PRO 49 HB2 PRO 49 0.602 -2.321 19.375 398 HB3 PRO 49 HB1 PRO 49 0.623 -0.650 18.799 399 HG2 PRO 49 HG2 PRO 49 -1.292 -1.985 20.672 400 HG3 PRO 49 HG1 PRO 49 -0.550 -0.378 20.786 401 HD2 PRO 49 HD2 PRO 49 -3.084 -0.764 19.910 402 HD3 PRO 49 HD1 PRO 49 -2.060 0.561 19.324 403 H ARG 50 HN ARG 50 -0.747 -3.463 15.880 404 HA ARG 50 HA ARG 50 -0.358 -5.931 17.087 405 HB2 ARG 50 HB2 ARG 50 -2.735 -6.859 16.684 406 HB3 ARG 50 HB1 ARG 50 -2.432 -5.943 18.152 407 HG2 ARG 50 HG2 ARG 50 -3.422 -3.961 17.126 408 HG3 ARG 50 HG1 ARG 50 -3.720 -4.877 15.648 409 HD2 ARG 50 HD2 ARG 50 -5.583 -5.773 16.481 410 HD3 ARG 50 HD1 ARG 50 -4.767 -6.246 17.970 411 HE ARG 50 HE ARG 50 -5.418 -3.444 17.825 412 HH11 ARG 50 HH11 ARG 50 -6.555 -6.617 18.736 413 HH12 ARG 50 HH12 ARG 50 -7.721 -6.012 19.864 414 HH21 ARG 50 HH21 ARG 50 -6.954 -2.649 19.310 415 HH22 ARG 50 HH22 ARG 50 -7.947 -3.760 20.189 416 H ARG 51 HN ARG 51 -0.643 -7.753 15.600 417 HA ARG 51 HA ARG 51 -0.437 -8.743 13.564 418 HB2 ARG 51 HB2 ARG 51 -2.499 -6.733 13.213 419 HB3 ARG 51 HB1 ARG 51 -1.610 -7.005 11.720 420 HG2 ARG 51 HG2 ARG 51 -2.037 -9.549 12.488 421 HG3 ARG 51 HG1 ARG 51 -3.463 -8.768 13.172 422 HD2 ARG 51 HD2 ARG 51 -4.192 -8.011 11.076 423 HD3 ARG 51 HD1 ARG 51 -2.618 -8.292 10.333 424 HE ARG 51 HE ARG 51 -3.895 -10.676 11.319 425 HH11 ARG 51 HH11 ARG 51 -3.562 -8.507 8.603 426 HH12 ARG 51 HH12 ARG 51 -4.044 -9.694 7.437 427 HH21 ARG 51 HH21 ARG 51 -4.529 -12.236 9.786 428 HH22 ARG 51 HH22 ARG 51 -4.595 -11.809 8.109 429 H TYR 52 HN TYR 52 0.051 -7.863 11.034 430 HA TYR 52 HA TYR 52 2.311 -6.001 11.290 431 HB2 TYR 52 HB2 TYR 52 2.339 -8.819 10.380 432 HB3 TYR 52 HB1 TYR 52 3.286 -7.685 9.423 433 HD1 TYR 52 HD1 TYR 52 5.099 -6.362 10.539 434 HD2 TYR 52 HD2 TYR 52 3.092 -9.560 12.498 435 HE1 TYR 52 HE1 TYR 52 6.927 -6.495 12.179 436 HE2 TYR 52 HE2 TYR 52 4.914 -9.704 14.144 437 HH TYR 52 HH TYR 52 7.007 -7.432 14.774 438 H CYS 53 HN CYS 53 2.701 -4.670 9.587 439 HA CYS 53 HA CYS 53 2.343 -3.533 7.618 440 HB2 CYS 53 HB2 CYS 53 2.575 -5.678 6.434 441 HB3 CYS 53 HB1 CYS 53 0.876 -6.033 6.722 442 HG CYS 53 HG CYS 53 0.702 -5.061 4.408 443 H VAL 54 HN VAL 54 0.869 -2.065 6.868 444 HA VAL 54 HA VAL 54 -0.941 -0.699 7.047 445 HB VAL 54 HB VAL 54 -1.733 -2.463 5.480 446 HG11 VAL 54 HG11 VAL 54 -1.957 -4.409 6.753 447 HG12 VAL 54 HG12 VAL 54 -3.615 -3.917 6.411 448 HG13 VAL 54 HG13 VAL 54 -2.909 -3.595 7.994 449 HG21 VAL 54 HG21 VAL 54 -4.145 -1.565 6.946 450 HG22 VAL 54 HG22 VAL 54 -3.746 -1.435 5.234 451 HG23 VAL 54 HG23 VAL 54 -3.015 -0.328 6.395 452 H ARG 55 HN ARG 55 0.097 -1.929 9.547 453 HA ARG 55 HA ARG 55 -2.300 -1.531 11.211 454 HB2 ARG 55 HB2 ARG 55 0.096 -3.302 11.721 455 HB3 ARG 55 HB1 ARG 55 -1.132 -2.940 12.927 456 HG2 ARG 55 HG2 ARG 55 -1.951 -4.073 10.295 457 HG3 ARG 55 HG1 ARG 55 -1.265 -5.129 11.529 458 HD2 ARG 55 HD2 ARG 55 -3.382 -5.294 12.252 459 HD3 ARG 55 HD1 ARG 55 -3.077 -3.719 12.982 460 HE ARG 55 HE ARG 55 -3.943 -3.015 10.560 461 HH11 ARG 55 HH11 ARG 55 -5.216 -5.324 12.852 462 HH12 ARG 55 HH12 ARG 55 -6.854 -5.125 12.330 463 HH21 ARG 55 HH21 ARG 55 -6.098 -2.753 9.877 464 HH22 ARG 55 HH22 ARG 55 -7.356 -3.666 10.642 465 H SER 56 HN SER 56 -2.062 -0.290 13.088 466 HA SER 56 HA SER 56 0.306 1.447 13.040 467 HB2 SER 56 HB2 SER 56 -2.329 2.059 14.364 468 HB3 SER 56 HB1 SER 56 -1.032 3.178 13.945 469 HG SER 56 HG SER 56 -1.472 2.403 11.709 470 H ASN 57 HN ASN 57 1.737 1.208 14.550 471 HA ASN 57 HA ASN 57 1.144 -0.327 16.933 472 HB2 ASN 57 HB2 ASN 57 3.698 0.871 15.858 473 HB3 ASN 57 HB1 ASN 57 3.607 -0.005 17.384 474 HD21 ASN 57 1HE2 ASN 57 2.957 -2.226 17.325 475 HD22 ASN 57 2HE2 ASN 57 3.266 -3.179 15.917 476 H SER 58 HN SER 58 1.834 3.020 16.086 477 HA SER 58 HA SER 58 2.125 3.816 18.842 478 HB2 SER 58 HB2 SER 58 3.337 4.895 16.923 479 HB3 SER 58 HB1 SER 58 1.801 5.619 16.447 480 HG SER 58 HG SER 58 1.744 6.542 18.597 481 H GLY 59 HN GLY 59 -0.495 3.978 16.433 482 HA2 GLY 59 HA2 GLY 59 -2.663 3.871 17.909 483 HA3 GLY 59 HA1 GLY 59 -2.119 5.479 18.360 484 H ILE 60 HN ILE 60 -2.091 3.812 15.267 485 HA ILE 60 HA ILE 60 -2.861 4.289 13.215 486 HB ILE 60 HB ILE 60 -5.047 3.982 14.336 487 HG12 ILE 60 HG12 ILE 60 -4.951 5.982 12.069 488 HG13 ILE 60 HG11 ILE 60 -4.876 4.229 11.913 489 HG21 ILE 60 HG21 ILE 60 -4.787 6.923 14.744 490 HG22 ILE 60 HG22 ILE 60 -5.410 5.683 15.830 491 HG23 ILE 60 HG23 ILE 60 -6.382 6.228 14.466 492 HD11 ILE 60 HD11 ILE 60 -7.219 5.219 13.353 493 HD12 ILE 60 HD12 ILE 60 -7.093 4.004 12.082 494 HD13 ILE 60 HD13 ILE 60 -7.123 5.717 11.665 495 H ILE 61 HN ILE 61 -2.878 7.176 15.277 496 HA ILE 61 HA ILE 61 -2.666 8.896 12.982 497 HB ILE 61 HB ILE 61 -3.197 9.174 15.828 498 HG12 ILE 61 HG12 ILE 61 -4.475 11.156 15.004 499 HG13 ILE 61 HG11 ILE 61 -3.816 10.866 13.397 500 HG21 ILE 61 HG21 ILE 61 -1.446 11.254 14.528 501 HG22 ILE 61 HG22 ILE 61 -1.071 10.276 15.948 502 HG23 ILE 61 HG23 ILE 61 -2.343 11.496 16.028 503 HD11 ILE 61 HD11 ILE 61 -4.934 8.741 13.276 504 HD12 ILE 61 HD12 ILE 61 -6.099 9.999 13.687 505 HD13 ILE 61 HD13 ILE 61 -5.501 8.908 14.937 506 H ASP 62 HN ASP 62 -0.512 7.629 15.458 507 HA ASP 62 HA ASP 62 1.679 9.292 14.538 508 HB2 ASP 62 HB2 ASP 62 1.186 7.483 16.815 509 HB3 ASP 62 HB1 ASP 62 2.837 7.458 16.199 510 H ALA 63 HN ALA 63 0.492 6.039 14.237 511 HA ALA 63 HA ALA 63 2.847 5.109 12.826 512 HB1 ALA 63 HB1 ALA 63 0.929 3.850 14.320 513 HB2 ALA 63 HB2 ALA 63 2.102 3.052 13.271 514 HB3 ALA 63 HB3 ALA 63 0.483 3.409 12.671 515 H GLY 64 HN GLY 64 -0.407 6.213 11.997 516 HA2 GLY 64 HA2 GLY 64 -1.209 6.916 9.924 517 HA3 GLY 64 HA1 GLY 64 0.388 6.621 9.264 518 H ALA 65 HN ALA 65 -0.515 3.869 10.824 519 HA ALA 65 HA ALA 65 -0.835 1.762 9.942 520 HB1 ALA 65 HB1 ALA 65 -3.055 1.376 9.910 521 HB2 ALA 65 HB2 ALA 65 -3.370 2.650 8.730 522 HB3 ALA 65 HB3 ALA 65 -3.135 3.059 10.429 523 H SER 66 HN SER 66 0.609 3.523 8.071 524 HA SER 66 HA SER 66 1.045 3.806 5.820 525 HB2 SER 66 HB2 SER 66 1.204 1.351 4.789 526 HB3 SER 66 HB1 SER 66 2.369 1.936 5.975 527 HG SER 66 HG SER 66 1.382 0.769 7.537 528 H ILE 67 HN ILE 67 -1.584 4.421 6.144 529 HA ILE 67 HA ILE 67 -3.373 2.855 4.618 530 HB ILE 67 HB ILE 67 -3.590 5.829 5.050 531 HG12 ILE 67 HG12 ILE 67 -4.908 3.830 6.841 532 HG13 ILE 67 HG11 ILE 67 -3.208 4.197 7.108 533 HG21 ILE 67 HG21 ILE 67 -5.235 5.172 3.519 534 HG22 ILE 67 HG22 ILE 67 -6.065 5.168 5.074 535 HG23 ILE 67 HG23 ILE 67 -5.532 3.649 4.355 536 HD11 ILE 67 HD11 ILE 67 -4.707 5.537 8.511 537 HD12 ILE 67 HD12 ILE 67 -5.426 6.229 7.057 538 HD13 ILE 67 HD13 ILE 67 -3.729 6.531 7.431 539 H ASN 68 HN ASN 68 -0.813 4.833 3.592 540 HA ASN 68 HA ASN 68 -0.046 5.423 1.535 541 HB2 ASN 68 HB2 ASN 68 -0.575 3.153 0.825 542 HB3 ASN 68 HB1 ASN 68 -2.255 3.600 0.547 543 HD21 ASN 68 1HE2 ASN 68 -1.600 2.616 -1.615 544 HD22 ASN 68 2HE2 ASN 68 -0.976 3.707 -2.797 545 H VAL 69 HN VAL 69 -3.516 5.148 0.789 546 HA VAL 69 HA VAL 69 -3.540 7.640 -0.584 547 HB VAL 69 HB VAL 69 -5.935 6.063 0.352 548 HG11 VAL 69 HG11 VAL 69 -6.642 7.140 -2.002 549 HG12 VAL 69 HG12 VAL 69 -5.517 8.373 -1.437 550 HG13 VAL 69 HG13 VAL 69 -6.912 7.935 -0.452 551 HG21 VAL 69 HG21 VAL 69 -3.926 5.123 -1.293 552 HG22 VAL 69 HG22 VAL 69 -5.145 5.710 -2.424 553 HG23 VAL 69 HG23 VAL 69 -5.576 4.508 -1.208 554 H SER 70 HN SER 70 -4.452 6.666 2.673 555 HA SER 70 HA SER 70 -5.749 9.190 3.221 556 HB2 SER 70 HB2 SER 70 -6.364 6.920 4.250 557 HB3 SER 70 HB1 SER 70 -4.961 7.150 5.293 558 HG SER 70 HG SER 70 -6.206 8.346 6.469 559 H VAL 71 HN VAL 71 -2.743 7.578 4.225 560 HA VAL 71 HA VAL 71 -1.870 9.890 5.713 561 HB VAL 71 HB VAL 71 0.287 8.605 5.918 562 HG11 VAL 71 HG11 VAL 71 -1.878 6.781 6.804 563 HG12 VAL 71 HG12 VAL 71 -1.926 8.449 7.374 564 HG13 VAL 71 HG13 VAL 71 -0.515 7.445 7.704 565 HG21 VAL 71 HG21 VAL 71 0.676 6.712 4.794 566 HG22 VAL 71 HG22 VAL 71 -0.665 7.197 3.758 567 HG23 VAL 71 HG23 VAL 71 -0.944 6.092 5.103 568 H MET 72 HN MET 72 -1.407 11.648 4.532 569 HA MET 72 HA MET 72 0.279 11.322 2.144 570 HB2 MET 72 HB2 MET 72 -1.964 13.076 2.807 571 HB3 MET 72 HB1 MET 72 -0.588 13.946 2.143 572 HG2 MET 72 HG2 MET 72 -0.645 12.069 0.332 573 HG3 MET 72 HG1 MET 72 -2.310 11.872 0.878 574 HE1 MET 72 HE1 MET 72 -4.216 14.670 0.189 575 HE2 MET 72 HE2 MET 72 -4.032 12.932 0.419 576 HE3 MET 72 HE3 MET 72 -4.117 13.601 -1.211 577 H LEU 73 HN LEU 73 0.101 12.726 5.307 578 HA LEU 73 HA LEU 73 2.581 14.225 4.857 579 HB2 LEU 73 HB2 LEU 73 0.454 15.200 5.983 580 HB3 LEU 73 HB1 LEU 73 0.975 14.290 7.389 581 HG LEU 73 HG LEU 73 3.235 15.541 7.054 582 HD11 LEU 73 HD11 LEU 73 1.414 16.931 5.192 583 HD12 LEU 73 HD12 LEU 73 3.169 16.760 5.153 584 HD13 LEU 73 HD13 LEU 73 2.421 17.952 6.218 585 HD21 LEU 73 HD21 LEU 73 0.931 17.223 7.984 586 HD22 LEU 73 HD22 LEU 73 2.571 17.134 8.629 587 HD23 LEU 73 HD23 LEU 73 1.452 15.793 8.877 588 H GLN 74 HN GLN 74 1.251 11.499 6.568 589 HA GLN 74 HA GLN 74 3.869 11.044 7.840 590 HB2 GLN 74 HB2 GLN 74 1.161 9.989 8.674 591 HB3 GLN 74 HB1 GLN 74 2.684 9.666 9.492 592 HG2 GLN 74 HG2 GLN 74 1.316 12.333 9.219 593 HG3 GLN 74 HG1 GLN 74 1.452 11.357 10.681 594 HE21 GLN 74 1HE2 GLN 74 3.486 11.155 11.686 595 HE22 GLN 74 2HE2 GLN 74 4.739 12.313 11.413 596 HA PRO 75 HA PRO 75 3.506 7.716 4.677 597 HB2 PRO 75 HB2 PRO 75 6.102 7.716 3.960 598 HB3 PRO 75 HB1 PRO 75 4.948 8.890 3.314 599 HG2 PRO 75 HG2 PRO 75 6.947 9.217 5.518 600 HG3 PRO 75 HG1 PRO 75 6.550 10.329 4.195 601 HD2 PRO 75 HD2 PRO 75 5.571 10.607 6.722 602 HD3 PRO 75 HD1 PRO 75 4.696 11.150 5.277 603 H PHE 76 HN PHE 76 3.128 6.094 6.290 604 HA PHE 76 HA PHE 76 3.660 4.187 7.402 605 HB2 PHE 76 HB2 PHE 76 6.140 4.764 5.962 606 HB3 PHE 76 HB1 PHE 76 6.407 3.897 7.470 607 HD1 PHE 76 HD2 PHE 76 4.852 3.769 4.157 608 HD2 PHE 76 HD1 PHE 76 5.640 1.640 7.756 609 HE1 PHE 76 HE2 PHE 76 4.208 1.668 3.050 610 HE2 PHE 76 HE1 PHE 76 4.998 -0.466 6.655 611 HZ PHE 76 HZ PHE 76 4.281 -0.452 4.300 612 H ASP 77 HN ASP 77 6.131 6.686 8.051 613 HA ASP 77 HA ASP 77 6.772 7.697 9.977 614 HB2 ASP 77 HB2 ASP 77 4.045 6.857 10.524 615 HB3 ASP 77 HB1 ASP 77 5.027 6.858 11.984 616 H TYR 78 HN TYR 78 7.705 5.037 9.237 617 HA TYR 78 HA TYR 78 8.082 3.649 11.761 618 HB2 TYR 78 HB2 TYR 78 8.084 2.872 9.063 619 HB3 TYR 78 HB1 TYR 78 9.745 2.666 9.606 620 HD1 TYR 78 HD1 TYR 78 10.048 1.380 11.861 621 HD2 TYR 78 HD2 TYR 78 6.539 1.189 9.464 622 HE1 TYR 78 HE1 TYR 78 9.436 -0.746 12.936 623 HE2 TYR 78 HE2 TYR 78 5.917 -0.936 10.531 624 HH TYR 78 HH TYR 78 7.094 -2.006 13.323 625 H ASP 79 HN ASP 79 9.357 6.346 10.572 626 HA ASP 79 HA ASP 79 11.961 6.496 10.308 627 HB2 ASP 79 HB2 ASP 79 10.051 8.229 11.316 628 HB3 ASP 79 HB1 ASP 79 11.289 8.205 12.566 629 HA PRO 80 HA PRO 80 13.049 5.815 15.076 630 HB2 PRO 80 HB2 PRO 80 10.771 4.008 15.717 631 HB3 PRO 80 HB1 PRO 80 11.570 5.214 16.732 632 HG2 PRO 80 HG2 PRO 80 9.173 5.702 15.693 633 HG3 PRO 80 HG1 PRO 80 10.399 6.980 15.783 634 HD2 PRO 80 HD2 PRO 80 9.511 5.368 13.430 635 HD3 PRO 80 HD1 PRO 80 9.958 7.082 13.516 636 H ASN 81 HN ASN 81 14.431 4.706 13.486 637 HA ASN 81 HA ASN 81 15.620 2.510 13.989 638 HB2 ASN 81 HB2 ASN 81 12.909 1.648 13.110 639 HB3 ASN 81 HB1 ASN 81 14.271 0.715 12.517 640 HD21 ASN 81 1HE2 ASN 81 14.377 2.286 15.627 641 HD22 ASN 81 2HE2 ASN 81 14.281 0.847 16.574 642 H GLU 82 HN GLU 82 17.212 2.487 12.415 643 HA GLU 82 HA GLU 82 16.826 3.894 9.987 644 HB2 GLU 82 HB2 GLU 82 19.012 3.415 11.420 645 HB3 GLU 82 HB1 GLU 82 19.153 2.061 10.308 646 HG2 GLU 82 HG2 GLU 82 18.783 3.891 8.487 647 HG3 GLU 82 HG1 GLU 82 19.314 4.984 9.764 648 H LYS 83 HN LYS 83 17.270 0.442 10.682 649 HA LYS 83 HA LYS 83 17.021 -0.329 7.965 650 HB2 LYS 83 HB2 LYS 83 16.674 -1.816 10.568 651 HB3 LYS 83 HB1 LYS 83 16.410 -2.593 9.014 652 HG2 LYS 83 HG2 LYS 83 18.706 -2.130 8.369 653 HG3 LYS 83 HG1 LYS 83 18.979 -1.296 9.900 654 HD2 LYS 83 HD2 LYS 83 19.164 -3.223 11.064 655 HD3 LYS 83 HD1 LYS 83 17.912 -4.032 10.121 656 HE2 LYS 83 HE2 LYS 83 19.568 -5.183 9.167 657 HE3 LYS 83 HE1 LYS 83 19.960 -3.696 8.305 658 HZ1 LYS 83 HZ1 LYS 83 21.730 -4.968 9.757 659 HZ2 LYS 83 HZ2 LYS 83 21.058 -4.031 10.993 660 HZ3 LYS 83 HZ3 LYS 83 21.734 -3.281 9.636 661 H SER 84 HN SER 84 14.793 -0.078 10.688 662 HA SER 84 HA SER 84 12.512 -0.945 9.169 663 HB2 SER 84 HB2 SER 84 12.149 0.595 11.685 664 HB3 SER 84 HB1 SER 84 11.341 -0.869 11.132 665 HG SER 84 HG SER 84 12.980 -2.072 11.848 666 H LYS 85 HN LYS 85 13.823 2.265 9.859 667 HA LYS 85 HA LYS 85 11.610 3.836 9.560 668 HB2 LYS 85 HB2 LYS 85 13.109 5.611 8.589 669 HB3 LYS 85 HB1 LYS 85 13.603 4.926 10.126 670 HG2 LYS 85 HG2 LYS 85 15.507 4.144 9.296 671 HG3 LYS 85 HG1 LYS 85 14.749 3.551 7.825 672 HD2 LYS 85 HD2 LYS 85 16.005 5.200 6.898 673 HD3 LYS 85 HD1 LYS 85 14.611 6.181 7.354 674 HE2 LYS 85 HE2 LYS 85 15.901 7.426 8.663 675 HE3 LYS 85 HE1 LYS 85 16.343 6.000 9.601 676 HZ1 LYS 85 HZ1 LYS 85 17.772 7.275 7.373 677 HZ2 LYS 85 HZ2 LYS 85 17.971 5.614 7.630 678 HZ3 LYS 85 HZ3 LYS 85 18.371 6.712 8.853 679 H HIS 86 HN HIS 86 13.638 4.233 6.735 680 HA HIS 86 HA HIS 86 13.188 4.248 4.501 681 HB2 HIS 86 HB2 HIS 86 12.025 2.506 3.579 682 HB3 HIS 86 HB1 HIS 86 12.252 1.876 5.203 683 HD1 HIS 86 HD1 HIS 86 9.574 3.894 3.376 684 HD2 HIS 86 HD2 HIS 86 9.959 0.882 6.211 685 HE1 HIS 86 HE1 HIS 86 7.227 3.199 3.941 686 HE2 HIS 86 HE2 HIS 86 7.491 1.291 5.564 687 H LYS 87 HN LYS 87 11.660 5.106 2.845 688 HA LYS 87 HA LYS 87 9.503 6.777 3.975 689 HB2 LYS 87 HB2 LYS 87 11.967 7.741 3.005 690 HB3 LYS 87 HB1 LYS 87 10.775 8.128 1.771 691 HG2 LYS 87 HG2 LYS 87 9.491 8.862 4.075 692 HG3 LYS 87 HG1 LYS 87 11.170 9.271 4.424 693 HD2 LYS 87 HD2 LYS 87 11.299 10.605 2.404 694 HD3 LYS 87 HD1 LYS 87 9.660 10.130 1.957 695 HE2 LYS 87 HE2 LYS 87 8.872 11.867 3.094 696 HE3 LYS 87 HE1 LYS 87 9.525 11.169 4.576 697 HZ1 LYS 87 HZ1 LYS 87 11.317 12.533 4.539 698 HZ2 LYS 87 HZ2 LYS 87 10.244 13.540 3.704 699 HZ3 LYS 87 HZ3 LYS 87 11.379 12.622 2.850 700 H PHE 88 HN PHE 88 8.045 7.728 2.144 701 HA PHE 88 HA PHE 88 7.160 5.509 0.565 702 HB2 PHE 88 HB2 PHE 88 5.603 7.073 1.625 703 HB3 PHE 88 HB1 PHE 88 6.179 8.361 0.574 704 HD1 PHE 88 HD2 PHE 88 4.576 5.010 0.500 705 HD2 PHE 88 HD1 PHE 88 5.171 8.729 -1.483 706 HE1 PHE 88 HE2 PHE 88 2.896 4.378 -1.184 707 HE2 PHE 88 HE1 PHE 88 3.492 8.105 -3.169 708 HZ PHE 88 HZ PHE 88 2.353 5.925 -3.021 709 H MET 89 HN MET 89 8.316 8.788 -0.510 710 HA MET 89 HA MET 89 8.341 7.886 -3.262 711 HB2 MET 89 HB2 MET 89 8.753 10.461 -1.892 712 HB3 MET 89 HB1 MET 89 9.909 10.214 -3.185 713 HG2 MET 89 HG2 MET 89 8.032 9.910 -4.789 714 HG3 MET 89 HG1 MET 89 6.885 10.189 -3.482 715 HE1 MET 89 HE1 MET 89 7.062 12.725 -6.379 716 HE2 MET 89 HE2 MET 89 6.205 13.617 -5.127 717 HE3 MET 89 HE3 MET 89 5.859 11.909 -5.376 718 H VAL 90 HN VAL 90 10.535 8.287 -0.622 719 HA VAL 90 HA VAL 90 12.993 7.646 -1.943 720 HB VAL 90 HB VAL 90 12.533 7.549 1.020 721 HG11 VAL 90 HG11 VAL 90 14.952 8.654 0.658 722 HG12 VAL 90 HG12 VAL 90 14.856 7.660 -0.795 723 HG13 VAL 90 HG13 VAL 90 14.689 6.915 0.795 724 HG21 VAL 90 HG21 VAL 90 13.238 9.982 0.966 725 HG22 VAL 90 HG22 VAL 90 11.596 9.636 0.420 726 HG23 VAL 90 HG23 VAL 90 12.870 9.952 -0.758 727 H GLN 91 HN GLN 91 10.483 5.657 -0.813 728 HA GLN 91 HA GLN 91 11.762 3.566 0.432 729 HB2 GLN 91 HB2 GLN 91 9.202 4.068 -0.457 730 HB3 GLN 91 HB1 GLN 91 9.661 2.637 -1.365 731 HG2 GLN 91 HG2 GLN 91 10.278 1.533 0.757 732 HG3 GLN 91 HG1 GLN 91 9.687 2.946 1.628 733 HE21 GLN 91 1HE2 GLN 91 7.540 3.186 1.963 734 HE22 GLN 91 2HE2 GLN 91 6.345 2.045 1.457 735 H SER 92 HN SER 92 12.145 4.364 -2.894 736 HA SER 92 HA SER 92 12.529 1.812 -3.985 737 HB2 SER 92 HB2 SER 92 13.521 2.883 -5.831 738 HB3 SER 92 HB1 SER 92 12.407 4.087 -5.182 739 HG SER 92 HG SER 92 14.695 4.718 -5.699 740 H MET 93 HN MET 93 14.513 3.562 -1.787 741 HA MET 93 HA MET 93 16.988 2.288 -2.435 742 HB2 MET 93 HB2 MET 93 16.849 4.539 -1.374 743 HB3 MET 93 HB1 MET 93 16.217 3.777 0.081 744 HG2 MET 93 HG2 MET 93 18.429 2.344 -0.161 745 HG3 MET 93 HG1 MET 93 18.966 3.784 -1.024 746 HE1 MET 93 HE1 MET 93 17.075 2.510 1.912 747 HE2 MET 93 HE2 MET 93 17.375 3.634 3.237 748 HE3 MET 93 HE3 MET 93 18.578 2.411 2.829 749 H PHE 94 HN PHE 94 14.591 2.035 0.139 750 HA PHE 94 HA PHE 94 15.784 0.015 1.637 751 HB2 PHE 94 HB2 PHE 94 13.922 1.188 2.558 752 HB3 PHE 94 HB1 PHE 94 12.882 0.732 1.213 753 HD1 PHE 94 HD1 PHE 94 12.230 -1.687 0.965 754 HD2 PHE 94 HD2 PHE 94 14.072 -0.148 4.477 755 HE1 PHE 94 HE1 PHE 94 11.435 -3.636 2.227 756 HE2 PHE 94 HE2 PHE 94 13.279 -2.097 5.752 757 HZ PHE 94 HZ PHE 94 11.958 -3.847 4.627 758 H ALA 95 HN ALA 95 14.302 -0.147 -1.454 759 HA ALA 95 HA ALA 95 15.162 -2.532 -2.300 760 HB1 ALA 95 HB1 ALA 95 12.803 -3.830 -1.820 761 HB2 ALA 95 HB2 ALA 95 13.071 -2.978 -0.300 762 HB3 ALA 95 HB3 ALA 95 14.302 -4.078 -0.922 763 HA PRO 96 HA PRO 96 10.456 -1.987 -4.250 764 HB2 PRO 96 HB2 PRO 96 10.711 0.876 -3.413 765 HB3 PRO 96 HB1 PRO 96 9.256 -0.081 -3.711 766 HG2 PRO 96 HG2 PRO 96 10.372 0.349 -1.218 767 HG3 PRO 96 HG1 PRO 96 9.282 -0.985 -1.624 768 HD2 PRO 96 HD2 PRO 96 12.017 -1.159 -0.866 769 HD3 PRO 96 HD1 PRO 96 10.968 -2.477 -1.407 770 H THR 97 HN THR 97 12.169 -2.433 -5.880 771 HA THR 97 HA THR 97 13.491 -0.322 -7.256 772 HB THR 97 HB THR 97 13.888 -1.997 -9.016 773 HG1 THR 97 HG1 THR 97 12.199 -3.280 -9.184 774 HG21 THR 97 HG21 THR 97 14.288 -2.977 -6.210 775 HG22 THR 97 HG22 THR 97 15.451 -2.175 -7.265 776 HG23 THR 97 HG23 THR 97 14.921 -3.817 -7.625 777 H ASP 98 HN ASP 98 10.337 -1.529 -7.161 778 HA ASP 98 HA ASP 98 9.294 -1.115 -9.655 779 HB2 ASP 98 HB2 ASP 98 7.115 -0.699 -8.404 780 HB3 ASP 98 HB1 ASP 98 7.946 -2.217 -8.076 781 H THR 99 HN THR 99 10.394 1.323 -7.466 782 HA THR 99 HA THR 99 8.677 3.425 -8.055 783 HB THR 99 HB THR 99 10.848 4.852 -7.740 784 HG1 THR 99 HG1 THR 99 12.512 3.556 -7.885 785 HG21 THR 99 HG21 THR 99 9.033 3.885 -5.970 786 HG22 THR 99 HG22 THR 99 10.353 4.984 -5.570 787 HG23 THR 99 HG23 THR 99 10.543 3.249 -5.318 788 H SER 100 HN SER 100 11.715 2.575 -9.761 789 HA SER 100 HA SER 100 11.261 4.482 -11.852 790 HB2 SER 100 HB2 SER 100 13.528 3.601 -11.321 791 HB3 SER 100 HB1 SER 100 13.017 2.005 -11.873 792 HG SER 100 HG SER 100 12.840 2.779 -13.935 793 H ASP 101 HN ASP 101 10.324 1.275 -11.125 794 HA ASP 101 HA ASP 101 9.488 0.395 -13.676 795 HB2 ASP 101 HB2 ASP 101 9.956 -0.896 -11.407 796 HB3 ASP 101 HB1 ASP 101 8.214 -0.697 -11.223 797 H MET 102 HN MET 102 8.063 2.576 -11.427 798 HA MET 102 HA MET 102 5.361 2.108 -11.659 799 HB2 MET 102 HB2 MET 102 7.050 4.422 -11.068 800 HB3 MET 102 HB1 MET 102 5.536 4.884 -11.823 801 HG2 MET 102 HG2 MET 102 4.423 4.588 -9.932 802 HG3 MET 102 HG1 MET 102 5.065 2.959 -9.740 803 HE1 MET 102 HE1 MET 102 4.775 5.756 -7.172 804 HE2 MET 102 HE2 MET 102 4.915 6.460 -8.783 805 HE3 MET 102 HE3 MET 102 6.172 6.751 -7.584 806 H GLU 103 HN GLU 103 7.358 4.095 -13.880 807 HA GLU 103 HA GLU 103 5.203 4.502 -15.717 808 HB2 GLU 103 HB2 GLU 103 8.013 5.256 -15.513 809 HB3 GLU 103 HB1 GLU 103 7.561 4.832 -17.158 810 HG2 GLU 103 HG2 GLU 103 5.565 6.414 -16.784 811 HG3 GLU 103 HG1 GLU 103 6.504 7.022 -15.421 812 H ALA 104 HN ALA 104 7.838 2.241 -15.383 813 HA ALA 104 HA ALA 104 7.573 0.931 -17.874 814 HB1 ALA 104 HB1 ALA 104 9.323 0.845 -15.678 815 HB2 ALA 104 HB2 ALA 104 9.504 0.065 -17.249 816 HB3 ALA 104 HB3 ALA 104 8.728 -0.796 -15.920 817 H VAL 105 HN VAL 105 5.796 0.584 -14.915 818 HA VAL 105 HA VAL 105 5.097 -2.097 -15.004 819 HB VAL 105 HB VAL 105 3.397 0.225 -14.084 820 HG11 VAL 105 HG11 VAL 105 2.421 -1.699 -12.614 821 HG12 VAL 105 HG12 VAL 105 3.003 -2.730 -13.920 822 HG13 VAL 105 HG13 VAL 105 1.831 -1.458 -14.258 823 HG21 VAL 105 HG21 VAL 105 4.319 -1.208 -11.893 824 HG22 VAL 105 HG22 VAL 105 4.906 0.358 -12.453 825 HG23 VAL 105 HG23 VAL 105 5.708 -1.121 -12.977 826 H TRP 106 HN TRP 106 3.242 0.619 -16.434 827 HA TRP 106 HA TRP 106 1.512 -1.259 -17.793 828 HB2 TRP 106 HB2 TRP 106 1.326 1.444 -16.994 829 HB3 TRP 106 HB1 TRP 106 1.212 1.441 -18.751 830 HD1 TRP 106 HD1 TRP 106 -0.492 -1.089 -19.308 831 HE1 TRP 106 HE1 TRP 106 -2.945 -1.232 -18.543 832 HE3 TRP 106 HE3 TRP 106 -0.398 2.441 -15.611 833 HZ2 TRP 106 HZ2 TRP 106 -4.619 -0.010 -16.625 834 HZ3 TRP 106 HZ3 TRP 106 -2.468 2.894 -14.359 835 HH2 TRP 106 HH2 TRP 106 -4.533 1.693 -14.858 836 H LYS 107 HN LYS 107 4.357 0.582 -18.538 837 HA LYS 107 HA LYS 107 4.027 0.372 -21.395 838 HB2 LYS 107 HB2 LYS 107 6.138 1.455 -19.575 839 HB3 LYS 107 HB1 LYS 107 6.534 1.137 -21.258 840 HG2 LYS 107 HG2 LYS 107 4.083 2.560 -21.202 841 HG3 LYS 107 HG1 LYS 107 5.219 3.385 -20.133 842 HD2 LYS 107 HD2 LYS 107 6.035 2.512 -22.885 843 HD3 LYS 107 HD1 LYS 107 5.179 4.034 -22.629 844 HE2 LYS 107 HE2 LYS 107 6.973 5.034 -21.708 845 HE3 LYS 107 HE1 LYS 107 7.455 3.583 -20.831 846 HZ1 LYS 107 HZ1 LYS 107 8.804 4.565 -22.895 847 HZ2 LYS 107 HZ2 LYS 107 7.786 3.492 -23.715 848 HZ3 LYS 107 HZ3 LYS 107 8.803 2.923 -22.489 849 H GLU 108 HN GLU 108 5.743 -1.352 -18.866 850 HA GLU 108 HA GLU 108 7.064 -3.050 -20.845 851 HB2 GLU 108 HB2 GLU 108 7.309 -3.220 -17.846 852 HB3 GLU 108 HB1 GLU 108 8.388 -3.904 -19.055 853 HG2 GLU 108 HG2 GLU 108 7.946 -0.949 -18.805 854 HG3 GLU 108 HG1 GLU 108 9.160 -1.808 -17.856 855 H ALA 109 HN ALA 109 4.229 -3.069 -18.969 856 HA ALA 109 HA ALA 109 2.535 -4.597 -18.872 857 HB1 ALA 109 HB1 ALA 109 3.344 -5.321 -21.129 858 HB2 ALA 109 HB2 ALA 109 2.547 -6.577 -20.181 859 HB3 ALA 109 HB3 ALA 109 4.304 -6.556 -20.317 860 H LYS 110 HN LYS 110 2.215 -7.061 -18.134 861 HA LYS 110 HA LYS 110 2.961 -7.194 -15.485 862 HB2 LYS 110 HB2 LYS 110 1.136 -8.475 -16.737 863 HB3 LYS 110 HB1 LYS 110 2.384 -9.654 -17.111 864 HG2 LYS 110 HG2 LYS 110 2.236 -8.931 -14.282 865 HG3 LYS 110 HG1 LYS 110 0.784 -9.710 -14.914 866 HD2 LYS 110 HD2 LYS 110 3.384 -10.917 -15.657 867 HD3 LYS 110 HD1 LYS 110 2.880 -11.082 -13.973 868 HE2 LYS 110 HE2 LYS 110 1.793 -12.899 -14.741 869 HE3 LYS 110 HE1 LYS 110 0.581 -11.718 -15.237 870 HZ1 LYS 110 HZ1 LYS 110 1.912 -11.615 -17.397 871 HZ2 LYS 110 HZ2 LYS 110 0.952 -12.982 -17.131 872 HZ3 LYS 110 HZ3 LYS 110 2.624 -13.064 -16.889 873 HA PRO 111 HA PRO 111 6.326 -10.600 -16.902 874 HB2 PRO 111 HB2 PRO 111 7.252 -8.899 -19.185 875 HB3 PRO 111 HB1 PRO 111 7.312 -10.654 -18.990 876 HG2 PRO 111 HG2 PRO 111 5.450 -9.531 -20.520 877 HG3 PRO 111 HG1 PRO 111 5.065 -10.923 -19.493 878 HD2 PRO 111 HD2 PRO 111 4.362 -8.057 -19.142 879 HD3 PRO 111 HD1 PRO 111 3.464 -9.507 -18.657 880 H GLU 112 HN GLU 112 6.751 -7.099 -17.433 881 HA GLU 112 HA GLU 112 9.367 -7.073 -16.268 882 HB2 GLU 112 HB2 GLU 112 7.852 -5.318 -17.810 883 HB3 GLU 112 HB1 GLU 112 8.028 -4.498 -16.265 884 HG2 GLU 112 HG2 GLU 112 9.844 -3.770 -17.525 885 HG3 GLU 112 HG1 GLU 112 10.514 -5.009 -16.463 886 H ASP 113 HN ASP 113 6.125 -6.202 -15.153 887 HA ASP 113 HA ASP 113 6.897 -5.167 -12.650 888 HB2 ASP 113 HB2 ASP 113 4.429 -5.802 -14.025 889 HB3 ASP 113 HB1 ASP 113 4.333 -6.243 -12.322 890 H LEU 114 HN LEU 114 6.212 -8.427 -13.746 891 HA LEU 114 HA LEU 114 5.857 -9.737 -11.337 892 HB2 LEU 114 HB2 LEU 114 5.584 -10.786 -13.537 893 HB3 LEU 114 HB1 LEU 114 7.319 -10.740 -13.779 894 HG LEU 114 HG LEU 114 7.410 -12.167 -11.602 895 HD11 LEU 114 HD11 LEU 114 4.832 -11.762 -11.389 896 HD12 LEU 114 HD12 LEU 114 5.538 -13.317 -10.945 897 HD13 LEU 114 HD13 LEU 114 4.737 -13.124 -12.505 898 HD21 LEU 114 HD21 LEU 114 7.809 -13.940 -12.937 899 HD22 LEU 114 HD22 LEU 114 7.633 -12.745 -14.221 900 HD23 LEU 114 HD23 LEU 114 6.273 -13.781 -13.789 901 H MET 115 HN MET 115 8.819 -8.602 -12.826 902 HA MET 115 HA MET 115 10.649 -10.021 -11.236 903 HB2 MET 115 HB2 MET 115 10.740 -7.970 -13.219 904 HB3 MET 115 HB1 MET 115 11.741 -7.468 -11.863 905 HG2 MET 115 HG2 MET 115 13.196 -9.236 -12.105 906 HG3 MET 115 HG1 MET 115 12.017 -10.224 -12.967 907 HE1 MET 115 HE1 MET 115 11.031 -9.546 -15.195 908 HE2 MET 115 HE2 MET 115 11.951 -8.791 -16.495 909 HE3 MET 115 HE3 MET 115 11.097 -7.789 -15.323 910 H ASP 116 HN ASP 116 9.298 -6.750 -10.837 911 HA ASP 116 HA ASP 116 10.617 -6.299 -8.351 912 HB2 ASP 116 HB2 ASP 116 8.215 -4.855 -9.492 913 HB3 ASP 116 HB1 ASP 116 9.299 -4.265 -8.236 914 H SER 117 HN SER 117 7.544 -7.604 -9.348 915 HA SER 117 HA SER 117 6.159 -7.417 -6.914 916 HB2 SER 117 HB2 SER 117 5.873 -9.645 -8.908 917 HB3 SER 117 HB1 SER 117 4.628 -8.981 -7.850 918 HG SER 117 HG SER 117 4.930 -8.314 -10.269 919 H LYS 118 HN LYS 118 8.040 -10.120 -8.299 920 HA LYS 118 HA LYS 118 7.694 -11.806 -6.054 921 HB2 LYS 118 HB2 LYS 118 9.105 -11.882 -8.582 922 HB3 LYS 118 HB1 LYS 118 10.102 -12.535 -7.291 923 HG2 LYS 118 HG2 LYS 118 8.513 -14.201 -6.773 924 HG3 LYS 118 HG1 LYS 118 7.273 -13.425 -7.761 925 HD2 LYS 118 HD2 LYS 118 8.658 -13.870 -9.767 926 HD3 LYS 118 HD1 LYS 118 9.805 -14.739 -8.744 927 HE2 LYS 118 HE2 LYS 118 7.113 -15.684 -8.312 928 HE3 LYS 118 HE1 LYS 118 7.544 -15.776 -10.019 929 HZ1 LYS 118 HZ1 LYS 118 9.082 -17.357 -9.636 930 HZ2 LYS 118 HZ2 LYS 118 8.152 -17.663 -8.257 931 HZ3 LYS 118 HZ3 LYS 118 9.551 -16.720 -8.140 932 H LEU 119 HN LEU 119 10.066 -9.441 -7.004 933 HA LEU 119 HA LEU 119 11.901 -10.050 -4.901 934 HB2 LEU 119 HB2 LEU 119 12.051 -8.598 -7.208 935 HB3 LEU 119 HB1 LEU 119 12.080 -7.344 -5.977 936 HG LEU 119 HG LEU 119 13.827 -9.213 -4.981 937 HD11 LEU 119 HD11 LEU 119 15.212 -10.040 -6.651 938 HD12 LEU 119 HD12 LEU 119 14.596 -8.913 -7.860 939 HD13 LEU 119 HD13 LEU 119 13.600 -10.268 -7.327 940 HD21 LEU 119 HD21 LEU 119 14.605 -6.896 -6.736 941 HD22 LEU 119 HD22 LEU 119 15.514 -7.588 -5.394 942 HD23 LEU 119 HD23 LEU 119 14.013 -6.720 -5.085 943 H ARG 120 HN ARG 120 9.630 -7.327 -5.320 944 HA ARG 120 HA ARG 120 10.223 -6.120 -2.848 945 HB2 ARG 120 HB2 ARG 120 8.029 -5.899 -4.839 946 HB3 ARG 120 HB1 ARG 120 7.690 -5.307 -3.220 947 HG2 ARG 120 HG2 ARG 120 8.493 -3.544 -4.725 948 HG3 ARG 120 HG1 ARG 120 9.557 -3.785 -3.337 949 HD2 ARG 120 HD2 ARG 120 10.274 -5.433 -5.632 950 HD3 ARG 120 HD1 ARG 120 10.330 -3.705 -5.977 951 HE ARG 120 HE ARG 120 11.638 -4.079 -3.565 952 HH11 ARG 120 HH11 ARG 120 12.023 -5.086 -6.881 953 HH12 ARG 120 HH12 ARG 120 13.749 -5.182 -6.783 954 HH21 ARG 120 HH21 ARG 120 13.914 -4.219 -3.434 955 HH22 ARG 120 HH22 ARG 120 14.821 -4.695 -4.828 956 H CYS 121 HN CYS 121 8.074 -8.685 -3.778 957 HA CYS 121 HA CYS 121 6.577 -8.777 -1.358 958 HB2 CYS 121 HB2 CYS 121 6.935 -10.603 -3.700 959 HB3 CYS 121 HB1 CYS 121 6.172 -11.225 -2.241 960 HG CYS 121 HG CYS 121 4.979 -8.951 -3.995 961 H VAL 122 HN VAL 122 9.405 -10.524 -2.558 962 HA VAL 122 HA VAL 122 9.627 -12.171 -0.224 963 HB VAL 122 HB VAL 122 10.479 -12.925 -2.402 964 HG11 VAL 122 HG11 VAL 122 12.655 -10.871 -2.032 965 HG12 VAL 122 HG12 VAL 122 11.321 -10.738 -3.176 966 HG13 VAL 122 HG13 VAL 122 12.505 -12.031 -3.351 967 HG21 VAL 122 HG21 VAL 122 12.387 -12.725 -0.095 968 HG22 VAL 122 HG22 VAL 122 12.792 -13.625 -1.555 969 HG23 VAL 122 HG23 VAL 122 11.390 -14.092 -0.592 970 H PHE 123 HN PHE 123 11.409 -9.336 -1.424 971 HA PHE 123 HA PHE 123 13.277 -9.179 0.650 972 HB2 PHE 123 HB2 PHE 123 12.833 -7.774 -1.639 973 HB3 PHE 123 HB1 PHE 123 12.327 -6.601 -0.429 974 HD1 PHE 123 HD1 PHE 123 15.141 -8.588 -1.698 975 HD2 PHE 123 HD2 PHE 123 13.908 -5.557 1.025 976 HE1 PHE 123 HE1 PHE 123 17.495 -7.989 -1.305 977 HE2 PHE 123 HE2 PHE 123 16.261 -4.953 1.421 978 HZ PHE 123 HZ PHE 123 18.057 -6.168 0.255 979 H GLU 124 HN GLU 124 10.053 -7.752 0.347 980 HA GLU 124 HA GLU 124 10.147 -6.303 2.782 981 HB2 GLU 124 HB2 GLU 124 8.548 -5.990 0.796 982 HB3 GLU 124 HB1 GLU 124 7.621 -7.313 1.490 983 HG2 GLU 124 HG2 GLU 124 7.393 -6.022 3.574 984 HG3 GLU 124 HG1 GLU 124 8.255 -4.685 2.813 985 H LEU 125 HN LEU 125 8.923 -9.508 1.916 986 HA LEU 125 HA LEU 125 7.995 -10.042 4.593 987 HB2 LEU 125 HB2 LEU 125 7.257 -11.010 2.201 988 HB3 LEU 125 HB1 LEU 125 8.393 -12.261 2.668 989 HG LEU 125 HG LEU 125 6.199 -12.963 3.316 990 HD11 LEU 125 HD11 LEU 125 8.292 -12.999 4.972 991 HD12 LEU 125 HD12 LEU 125 6.720 -13.674 5.400 992 HD13 LEU 125 HD13 LEU 125 7.170 -12.062 5.959 993 HD21 LEU 125 HD21 LEU 125 4.844 -11.109 3.433 994 HD22 LEU 125 HD22 LEU 125 5.998 -10.193 4.402 995 HD23 LEU 125 HD23 LEU 125 5.055 -11.486 5.143 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -11.491 9.574 -1.549 2 H2 MET 1 HT2 MET 1 -12.069 8.637 -0.232 3 H3 MET 1 HT3 MET 1 -11.657 10.287 0.000 4 HA MET 1 HA MET 1 -13.940 9.121 -1.409 5 HB2 MET 1 HB2 MET 1 -13.389 10.653 1.034 6 HB3 MET 1 HB1 MET 1 -14.729 11.287 0.090 7 HG2 MET 1 HG2 MET 1 -15.808 9.821 1.470 8 HG3 MET 1 HG1 MET 1 -15.519 8.809 0.057 9 HE1 MET 1 HE1 MET 1 -15.797 8.600 3.579 10 HE2 MET 1 HE2 MET 1 -14.393 9.657 3.735 11 HE3 MET 1 HE3 MET 1 -14.299 7.979 4.273 12 H ALA 2 HN ALA 2 -11.681 11.776 -1.369 13 HA ALA 2 HA ALA 2 -13.137 13.721 -2.737 14 HB1 ALA 2 HB1 ALA 2 -11.138 14.488 -1.866 15 HB2 ALA 2 HB2 ALA 2 -10.773 14.391 -3.588 16 HB3 ALA 2 HB3 ALA 2 -10.217 13.122 -2.497 17 H LYS 3 HN LYS 3 -10.488 11.986 -4.337 18 HA LYS 3 HA LYS 3 -12.001 12.073 -6.834 19 HB2 LYS 3 HB2 LYS 3 -9.131 11.268 -6.336 20 HB3 LYS 3 HB1 LYS 3 -9.885 11.473 -7.910 21 HG2 LYS 3 HG2 LYS 3 -8.938 13.507 -7.788 22 HG3 LYS 3 HG1 LYS 3 -10.384 13.889 -6.850 23 HD2 LYS 3 HD2 LYS 3 -8.814 14.652 -5.390 24 HD3 LYS 3 HD1 LYS 3 -8.860 12.966 -4.873 25 HE2 LYS 3 HE2 LYS 3 -6.948 12.479 -6.334 26 HE3 LYS 3 HE1 LYS 3 -6.893 14.175 -6.813 27 HZ1 LYS 3 HZ1 LYS 3 -5.355 14.156 -5.150 28 HZ2 LYS 3 HZ2 LYS 3 -6.127 12.935 -4.272 29 HZ3 LYS 3 HZ3 LYS 3 -6.733 14.514 -4.236 30 H VAL 4 HN VAL 4 -13.437 10.426 -6.825 31 HA VAL 4 HA VAL 4 -12.564 7.761 -6.035 32 HB VAL 4 HB VAL 4 -15.239 7.682 -7.024 33 HG11 VAL 4 HG11 VAL 4 -14.192 6.245 -5.301 34 HG12 VAL 4 HG12 VAL 4 -15.744 6.918 -4.803 35 HG13 VAL 4 HG13 VAL 4 -14.243 7.605 -4.181 36 HG21 VAL 4 HG21 VAL 4 -15.542 10.006 -6.731 37 HG22 VAL 4 HG22 VAL 4 -14.659 10.008 -5.204 38 HG23 VAL 4 HG23 VAL 4 -16.248 9.249 -5.303 39 H GLU 5 HN GLU 5 -13.861 9.407 -8.919 40 HA GLU 5 HA GLU 5 -14.032 7.201 -10.597 41 HB2 GLU 5 HB2 GLU 5 -13.410 10.087 -11.210 42 HB3 GLU 5 HB1 GLU 5 -13.689 8.879 -12.457 43 HG2 GLU 5 HG2 GLU 5 -15.916 8.444 -11.306 44 HG3 GLU 5 HG1 GLU 5 -15.616 9.937 -10.419 45 H GLN 6 HN GLN 6 -11.249 9.399 -10.144 46 HA GLN 6 HA GLN 6 -9.531 8.209 -11.994 47 HB2 GLN 6 HB2 GLN 6 -9.119 9.844 -9.517 48 HB3 GLN 6 HB1 GLN 6 -7.724 9.090 -10.272 49 HG2 GLN 6 HG2 GLN 6 -8.892 10.281 -12.415 50 HG3 GLN 6 HG1 GLN 6 -9.321 11.402 -11.124 51 HE21 GLN 6 1HE2 GLN 6 -7.965 13.097 -11.603 52 HE22 GLN 6 2HE2 GLN 6 -6.240 12.975 -11.627 53 H VAL 7 HN VAL 7 -9.874 7.576 -8.526 54 HA VAL 7 HA VAL 7 -8.017 5.373 -8.568 55 HB VAL 7 HB VAL 7 -9.789 6.215 -6.286 56 HG11 VAL 7 HG11 VAL 7 -7.547 4.329 -6.634 57 HG12 VAL 7 HG12 VAL 7 -8.899 4.290 -5.504 58 HG13 VAL 7 HG13 VAL 7 -7.509 5.324 -5.178 59 HG21 VAL 7 HG21 VAL 7 -8.459 8.112 -7.178 60 HG22 VAL 7 HG22 VAL 7 -6.994 7.170 -6.897 61 HG23 VAL 7 HG23 VAL 7 -8.008 7.651 -5.536 62 H LEU 8 HN LEU 8 -11.409 5.618 -9.050 63 HA LEU 8 HA LEU 8 -12.392 3.371 -7.798 64 HB2 LEU 8 HB2 LEU 8 -13.355 5.224 -9.629 65 HB3 LEU 8 HB1 LEU 8 -13.568 3.681 -10.429 66 HG LEU 8 HG LEU 8 -14.946 2.856 -8.650 67 HD11 LEU 8 HD11 LEU 8 -14.005 3.643 -6.673 68 HD12 LEU 8 HD12 LEU 8 -15.542 4.501 -6.771 69 HD13 LEU 8 HD13 LEU 8 -14.044 5.322 -7.209 70 HD21 LEU 8 HD21 LEU 8 -15.623 5.006 -10.282 71 HD22 LEU 8 HD22 LEU 8 -16.251 5.432 -8.690 72 HD23 LEU 8 HD23 LEU 8 -16.729 3.914 -9.449 73 H SER 9 HN SER 9 -11.070 3.433 -11.149 74 HA SER 9 HA SER 9 -10.535 1.678 -12.548 75 HB2 SER 9 HB2 SER 9 -9.339 -0.207 -10.965 76 HB3 SER 9 HB1 SER 9 -8.544 1.258 -11.540 77 HG SER 9 HG SER 9 -9.820 0.858 -9.031 78 H LEU 10 HN LEU 10 -13.141 1.517 -12.077 79 HA LEU 10 HA LEU 10 -13.960 -1.010 -10.950 80 HB2 LEU 10 HB2 LEU 10 -16.209 -0.259 -11.790 81 HB3 LEU 10 HB1 LEU 10 -15.417 0.820 -10.649 82 HG LEU 10 HG LEU 10 -14.542 1.621 -13.177 83 HD11 LEU 10 HD11 LEU 10 -17.534 1.632 -13.262 84 HD12 LEU 10 HD12 LEU 10 -16.643 0.232 -13.859 85 HD13 LEU 10 HD13 LEU 10 -16.371 1.821 -14.575 86 HD21 LEU 10 HD21 LEU 10 -16.511 3.429 -12.420 87 HD22 LEU 10 HD22 LEU 10 -14.809 3.475 -11.963 88 HD23 LEU 10 HD23 LEU 10 -15.985 2.703 -10.901 89 H GLU 11 HN GLU 11 -14.107 0.373 -14.292 90 HA GLU 11 HA GLU 11 -15.079 -2.091 -15.386 91 HB2 GLU 11 HB2 GLU 11 -14.587 0.583 -16.340 92 HB3 GLU 11 HB1 GLU 11 -13.860 -0.573 -17.447 93 HG2 GLU 11 HG2 GLU 11 -16.044 -1.749 -17.560 94 HG3 GLU 11 HG1 GLU 11 -16.738 -0.456 -16.582 95 HA PRO 12 HA PRO 12 -10.508 -2.816 -16.339 96 HB2 PRO 12 HB2 PRO 12 -8.752 -0.808 -16.242 97 HB3 PRO 12 HB1 PRO 12 -9.911 -0.887 -17.573 98 HG2 PRO 12 HG2 PRO 12 -9.831 0.949 -15.262 99 HG3 PRO 12 HG1 PRO 12 -10.585 1.171 -16.848 100 HD2 PRO 12 HD2 PRO 12 -11.817 0.318 -14.372 101 HD3 PRO 12 HD1 PRO 12 -12.589 0.628 -15.940 102 H GLN 13 HN GLN 13 -10.767 -3.945 -14.267 103 HA GLN 13 HA GLN 13 -10.407 -2.643 -11.831 104 HB2 GLN 13 HB2 GLN 13 -10.061 -5.543 -12.616 105 HB3 GLN 13 HB1 GLN 13 -9.886 -4.996 -10.953 106 HG2 GLN 13 HG2 GLN 13 -12.340 -4.123 -12.310 107 HG3 GLN 13 HG1 GLN 13 -12.196 -5.860 -12.046 108 HE21 GLN 13 1HE2 GLN 13 -10.913 -3.286 -10.016 109 HE22 GLN 13 2HE2 GLN 13 -11.882 -3.644 -8.632 110 H HIS 14 HN HIS 14 -8.070 -3.508 -14.182 111 HA HIS 14 HA HIS 14 -5.816 -3.287 -14.279 112 HB2 HIS 14 HB2 HIS 14 -6.212 -1.773 -11.694 113 HB3 HIS 14 HB1 HIS 14 -4.716 -1.809 -12.618 114 HD1 HIS 14 HD1 HIS 14 -6.193 -1.505 -15.439 115 HD2 HIS 14 HD2 HIS 14 -6.671 0.928 -12.106 116 HE1 HIS 14 HE1 HIS 14 -7.016 0.699 -16.329 117 HE2 HIS 14 HE2 HIS 14 -7.221 2.180 -14.301 118 H GLU 15 HN GLU 15 -4.930 -5.240 -14.109 119 HA GLU 15 HA GLU 15 -4.460 -6.320 -11.411 120 HB2 GLU 15 HB2 GLU 15 -4.353 -8.016 -13.883 121 HB3 GLU 15 HB1 GLU 15 -4.666 -8.501 -12.223 122 HG2 GLU 15 HG2 GLU 15 -6.866 -7.476 -12.317 123 HG3 GLU 15 HG1 GLU 15 -6.552 -6.928 -13.963 124 H LEU 16 HN LEU 16 -2.591 -4.814 -11.474 125 HA LEU 16 HA LEU 16 -0.229 -6.211 -12.349 126 HB2 LEU 16 HB2 LEU 16 -0.161 -3.392 -13.165 127 HB3 LEU 16 HB1 LEU 16 0.524 -4.798 -13.948 128 HG LEU 16 HG LEU 16 -1.866 -5.334 -14.702 129 HD11 LEU 16 HD11 LEU 16 -2.584 -3.350 -13.018 130 HD12 LEU 16 HD12 LEU 16 -3.547 -3.868 -14.401 131 HD13 LEU 16 HD13 LEU 16 -2.489 -2.464 -14.540 132 HD21 LEU 16 HD21 LEU 16 -0.545 -2.843 -15.764 133 HD22 LEU 16 HD22 LEU 16 -1.672 -3.886 -16.629 134 HD23 LEU 16 HD23 LEU 16 -0.081 -4.495 -16.172 135 H LYS 17 HN LYS 17 0.603 -6.296 -10.362 136 HA LYS 17 HA LYS 17 1.923 -4.118 -9.231 137 HB2 LYS 17 HB2 LYS 17 -0.863 -4.416 -8.412 138 HB3 LYS 17 HB1 LYS 17 0.246 -4.452 -7.049 139 HG2 LYS 17 HG2 LYS 17 0.751 -2.275 -7.235 140 HG3 LYS 17 HG1 LYS 17 0.758 -2.320 -8.999 141 HD2 LYS 17 HD2 LYS 17 -1.417 -1.731 -9.154 142 HD3 LYS 17 HD1 LYS 17 -1.878 -2.664 -7.728 143 HE2 LYS 17 HE2 LYS 17 -0.461 -0.776 -6.511 144 HE3 LYS 17 HE1 LYS 17 -0.921 0.140 -7.946 145 HZ1 LYS 17 HZ1 LYS 17 -3.056 -1.334 -6.636 146 HZ2 LYS 17 HZ2 LYS 17 -3.068 0.213 -7.318 147 HZ3 LYS 17 HZ3 LYS 17 -2.430 -0.023 -5.770 148 H PHE 18 HN PHE 18 0.470 -7.265 -8.824 149 HA PHE 18 HA PHE 18 2.746 -8.583 -8.015 150 HB2 PHE 18 HB2 PHE 18 2.070 -8.944 -5.525 151 HB3 PHE 18 HB1 PHE 18 2.967 -7.496 -5.968 152 HD1 PHE 18 HD1 PHE 18 -0.628 -8.518 -5.959 153 HD2 PHE 18 HD2 PHE 18 2.290 -5.627 -4.845 154 HE1 PHE 18 HE1 PHE 18 -2.394 -7.125 -4.962 155 HE2 PHE 18 HE2 PHE 18 0.530 -4.230 -3.845 156 HZ PHE 18 HZ PHE 18 -1.817 -4.979 -3.902 157 H ARG 19 HN ARG 19 2.114 -10.704 -6.680 158 HA ARG 19 HA ARG 19 0.403 -12.213 -8.233 159 HB2 ARG 19 HB2 ARG 19 2.111 -12.891 -6.361 160 HB3 ARG 19 HB1 ARG 19 0.695 -12.852 -5.320 161 HG2 ARG 19 HG2 ARG 19 0.520 -14.382 -7.857 162 HG3 ARG 19 HG1 ARG 19 1.470 -15.058 -6.532 163 HD2 ARG 19 HD2 ARG 19 -0.352 -15.426 -5.233 164 HD3 ARG 19 HD1 ARG 19 -1.203 -14.005 -5.839 165 HE ARG 19 HE ARG 19 -2.188 -15.318 -7.435 166 HH11 ARG 19 HH11 ARG 19 0.513 -17.050 -6.062 167 HH12 ARG 19 HH12 ARG 19 0.132 -18.533 -6.870 168 HH21 ARG 19 HH21 ARG 19 -2.690 -17.269 -8.497 169 HH22 ARG 19 HH22 ARG 19 -1.685 -18.659 -8.250 170 H GLY 20 HN GLY 20 -1.756 -12.970 -7.998 171 HA2 GLY 20 HA2 GLY 20 -4.004 -12.623 -7.597 172 HA3 GLY 20 HA1 GLY 20 -3.524 -12.347 -5.925 173 HA PRO 21 HA PRO 21 -3.137 -7.937 -7.653 174 HB2 PRO 21 HB2 PRO 21 -3.972 -7.712 -10.338 175 HB3 PRO 21 HB1 PRO 21 -2.338 -7.529 -9.716 176 HG2 PRO 21 HG2 PRO 21 -3.534 -9.785 -11.154 177 HG3 PRO 21 HG1 PRO 21 -1.833 -9.366 -10.926 178 HD2 PRO 21 HD2 PRO 21 -3.154 -11.447 -9.660 179 HD3 PRO 21 HD1 PRO 21 -1.635 -10.718 -9.118 180 H PHE 22 HN PHE 22 -5.617 -9.512 -9.712 181 HA PHE 22 HA PHE 22 -7.643 -7.700 -8.878 182 HB2 PHE 22 HB2 PHE 22 -7.778 -8.701 -11.064 183 HB3 PHE 22 HB1 PHE 22 -7.768 -10.320 -10.374 184 HD1 PHE 22 HD1 PHE 22 -9.760 -7.218 -10.666 185 HD2 PHE 22 HD2 PHE 22 -9.755 -11.358 -9.684 186 HE1 PHE 22 HE1 PHE 22 -12.220 -7.201 -10.597 187 HE2 PHE 22 HE2 PHE 22 -12.214 -11.348 -9.614 188 HZ PHE 22 HZ PHE 22 -13.449 -9.268 -10.070 189 H THR 23 HN THR 23 -6.688 -10.944 -7.884 190 HA THR 23 HA THR 23 -9.022 -11.503 -6.384 191 HB THR 23 HB THR 23 -7.342 -13.199 -5.257 192 HG1 THR 23 HG1 THR 23 -5.984 -12.743 -7.679 193 HG21 THR 23 HG21 THR 23 -8.752 -14.379 -6.531 194 HG22 THR 23 HG22 THR 23 -7.398 -14.412 -7.661 195 HG23 THR 23 HG23 THR 23 -8.686 -13.225 -7.862 196 H ASP 24 HN ASP 24 -5.762 -10.528 -5.216 197 HA ASP 24 HA ASP 24 -6.647 -10.408 -2.515 198 HB2 ASP 24 HB2 ASP 24 -4.204 -10.565 -3.528 199 HB3 ASP 24 HB1 ASP 24 -4.282 -8.811 -3.381 200 H VAL 25 HN VAL 25 -6.224 -8.006 -5.049 201 HA VAL 25 HA VAL 25 -6.659 -5.732 -3.482 202 HB VAL 25 HB VAL 25 -7.210 -4.477 -5.455 203 HG11 VAL 25 HG11 VAL 25 -5.221 -5.380 -6.923 204 HG12 VAL 25 HG12 VAL 25 -4.940 -6.385 -5.500 205 HG13 VAL 25 HG13 VAL 25 -4.948 -4.627 -5.353 206 HG21 VAL 25 HG21 VAL 25 -7.548 -7.155 -6.779 207 HG22 VAL 25 HG22 VAL 25 -7.251 -5.677 -7.687 208 HG23 VAL 25 HG23 VAL 25 -8.695 -5.818 -6.690 209 H VAL 26 HN VAL 26 -9.067 -7.977 -4.742 210 HA VAL 26 HA VAL 26 -11.295 -6.320 -4.630 211 HB VAL 26 HB VAL 26 -12.669 -8.317 -4.346 212 HG11 VAL 26 HG11 VAL 26 -10.947 -9.597 -6.203 213 HG12 VAL 26 HG12 VAL 26 -10.794 -7.854 -6.424 214 HG13 VAL 26 HG13 VAL 26 -12.380 -8.620 -6.520 215 HG21 VAL 26 HG21 VAL 26 -11.899 -9.970 -3.070 216 HG22 VAL 26 HG22 VAL 26 -10.243 -9.373 -3.180 217 HG23 VAL 26 HG23 VAL 26 -10.880 -10.443 -4.429 218 H THR 27 HN THR 27 -9.596 -7.946 -2.027 219 HA THR 27 HA THR 27 -11.565 -7.594 -0.037 220 HB THR 27 HB THR 27 -8.740 -7.374 0.811 221 HG1 THR 27 HG1 THR 27 -8.091 -8.847 -0.525 222 HG21 THR 27 HG21 THR 27 -9.449 -8.467 2.603 223 HG22 THR 27 HG22 THR 27 -10.203 -9.731 1.630 224 HG23 THR 27 HG23 THR 27 -11.082 -8.240 1.975 225 H THR 28 HN THR 28 -8.785 -5.636 -1.017 226 HA THR 28 HA THR 28 -9.308 -3.504 0.799 227 HB THR 28 HB THR 28 -7.769 -3.156 -1.753 228 HG1 THR 28 HG1 THR 28 -6.991 -4.650 0.517 229 HG21 THR 28 HG21 THR 28 -7.513 -1.206 -0.631 230 HG22 THR 28 HG22 THR 28 -6.200 -2.125 0.105 231 HG23 THR 28 HG23 THR 28 -7.738 -1.954 0.951 232 H ASN 29 HN ASN 29 -10.036 -4.090 -2.604 233 HA ASN 29 HA ASN 29 -11.064 -1.594 -3.281 234 HB2 ASN 29 HB2 ASN 29 -11.415 -4.364 -4.327 235 HB3 ASN 29 HB1 ASN 29 -12.533 -3.123 -4.884 236 HD21 ASN 29 1HE2 ASN 29 -11.067 -0.933 -5.166 237 HD22 ASN 29 2HE2 ASN 29 -9.790 -1.168 -6.305 238 H LEU 30 HN LEU 30 -12.648 -4.374 -1.770 239 HA LEU 30 HA LEU 30 -15.286 -3.457 -1.882 240 HB2 LEU 30 HB2 LEU 30 -14.830 -5.716 -1.215 241 HB3 LEU 30 HB1 LEU 30 -13.869 -5.180 0.150 242 HG LEU 30 HG LEU 30 -16.205 -6.087 0.637 243 HD11 LEU 30 HD11 LEU 30 -14.663 -4.505 2.060 244 HD12 LEU 30 HD12 LEU 30 -16.313 -4.864 2.564 245 HD13 LEU 30 HD13 LEU 30 -15.952 -3.341 1.753 246 HD21 LEU 30 HD21 LEU 30 -18.007 -4.373 0.484 247 HD22 LEU 30 HD22 LEU 30 -17.470 -4.997 -1.074 248 HD23 LEU 30 HD23 LEU 30 -16.935 -3.408 -0.529 249 H LYS 31 HN LYS 31 -12.841 -3.046 0.656 250 HA LYS 31 HA LYS 31 -14.522 -1.053 1.966 251 HB2 LYS 31 HB2 LYS 31 -12.972 -3.004 3.022 252 HB3 LYS 31 HB1 LYS 31 -11.834 -1.664 3.046 253 HG2 LYS 31 HG2 LYS 31 -12.898 -1.663 5.144 254 HG3 LYS 31 HG1 LYS 31 -13.614 -0.330 4.236 255 HD2 LYS 31 HD2 LYS 31 -15.036 -2.840 3.848 256 HD3 LYS 31 HD1 LYS 31 -14.987 -2.342 5.541 257 HE2 LYS 31 HE2 LYS 31 -16.140 -0.378 5.130 258 HE3 LYS 31 HE1 LYS 31 -15.701 -0.357 3.423 259 HZ1 LYS 31 HZ1 LYS 31 -17.128 -2.593 3.531 260 HZ2 LYS 31 HZ2 LYS 31 -17.804 -1.081 3.192 261 HZ3 LYS 31 HZ3 LYS 31 -17.894 -1.714 4.757 262 H LEU 32 HN LEU 32 -13.907 -0.004 -0.348 263 HA LEU 32 HA LEU 32 -11.390 1.335 -0.457 264 HB2 LEU 32 HB2 LEU 32 -13.296 0.799 -2.291 265 HB3 LEU 32 HB1 LEU 32 -13.709 2.459 -1.924 266 HG LEU 32 HG LEU 32 -11.393 1.368 -3.413 267 HD11 LEU 32 HD11 LEU 32 -11.707 3.806 -4.345 268 HD12 LEU 32 HD12 LEU 32 -13.272 3.668 -3.544 269 HD13 LEU 32 HD13 LEU 32 -12.813 2.506 -4.788 270 HD21 LEU 32 HD21 LEU 32 -11.135 3.575 -1.402 271 HD22 LEU 32 HD22 LEU 32 -10.186 3.596 -2.887 272 HD23 LEU 32 HD23 LEU 32 -10.025 2.252 -1.757 273 H GLY 33 HN GLY 33 -12.004 1.907 2.000 274 HA2 GLY 33 HA2 GLY 33 -12.232 4.747 2.058 275 HA3 GLY 33 HA1 GLY 33 -13.707 3.990 2.641 276 H ASN 34 HN ASN 34 -13.702 2.889 4.607 277 HA ASN 34 HA ASN 34 -11.621 3.721 6.430 278 HB2 ASN 34 HB2 ASN 34 -14.375 2.999 6.632 279 HB3 ASN 34 HB1 ASN 34 -13.453 1.935 7.690 280 HD21 ASN 34 1HE2 ASN 34 -14.949 4.883 7.425 281 HD22 ASN 34 2HE2 ASN 34 -14.233 5.677 8.783 282 HA PRO 35 HA PRO 35 -9.721 -0.338 5.924 283 HB2 PRO 35 HB2 PRO 35 -7.191 0.446 6.301 284 HB3 PRO 35 HB1 PRO 35 -8.058 0.821 4.809 285 HG2 PRO 35 HG2 PRO 35 -7.315 2.597 7.050 286 HG3 PRO 35 HG1 PRO 35 -7.607 2.993 5.350 287 HD2 PRO 35 HD2 PRO 35 -9.411 3.264 7.564 288 HD3 PRO 35 HD1 PRO 35 -9.712 3.641 5.857 289 H THR 36 HN THR 36 -10.832 0.826 8.513 290 HA THR 36 HA THR 36 -8.932 -0.404 10.394 291 HB THR 36 HB THR 36 -10.388 0.852 12.117 292 HG1 THR 36 HG1 THR 36 -11.053 2.336 9.796 293 HG21 THR 36 HG21 THR 36 -8.827 2.583 10.223 294 HG22 THR 36 HG22 THR 36 -8.095 1.548 11.449 295 HG23 THR 36 HG23 THR 36 -9.155 2.873 11.931 296 H ASP 37 HN ASP 37 -12.358 -0.213 9.523 297 HA ASP 37 HA ASP 37 -14.099 -1.638 9.847 298 HB2 ASP 37 HB2 ASP 37 -12.181 -3.198 8.914 299 HB3 ASP 37 HB1 ASP 37 -12.243 -3.878 10.537 300 H ARG 38 HN ARG 38 -13.129 -0.126 12.077 301 HA ARG 38 HA ARG 38 -14.420 -1.610 14.189 302 HB2 ARG 38 HB2 ARG 38 -11.912 -2.205 14.202 303 HB3 ARG 38 HB1 ARG 38 -11.662 -0.565 14.784 304 HG2 ARG 38 HG2 ARG 38 -11.848 -1.520 16.802 305 HG3 ARG 38 HG1 ARG 38 -13.580 -1.396 16.489 306 HD2 ARG 38 HD2 ARG 38 -12.514 -3.782 15.288 307 HD3 ARG 38 HD1 ARG 38 -12.091 -3.717 16.997 308 HE ARG 38 HE ARG 38 -14.736 -3.098 16.959 309 HH11 ARG 38 HH11 ARG 38 -12.850 -5.750 15.697 310 HH12 ARG 38 HH12 ARG 38 -14.135 -6.900 15.851 311 HH21 ARG 38 HH21 ARG 38 -16.427 -4.610 17.162 312 HH22 ARG 38 HH22 ARG 38 -16.166 -6.254 16.682 313 H ASN 39 HN ASN 39 -12.180 1.177 14.099 314 HA ASN 39 HA ASN 39 -14.419 2.864 15.000 315 HB2 ASN 39 HB2 ASN 39 -12.333 2.178 16.606 316 HB3 ASN 39 HB1 ASN 39 -11.724 3.669 15.893 317 HD21 ASN 39 1HE2 ASN 39 -11.847 4.395 18.139 318 HD22 ASN 39 2HE2 ASN 39 -13.343 5.032 18.723 319 H VAL 40 HN VAL 40 -13.220 5.301 15.011 320 HA VAL 40 HA VAL 40 -13.209 5.983 12.260 321 HB VAL 40 HB VAL 40 -12.593 8.261 13.041 322 HG11 VAL 40 HG11 VAL 40 -14.770 7.131 14.777 323 HG12 VAL 40 HG12 VAL 40 -14.949 7.309 13.031 324 HG13 VAL 40 HG13 VAL 40 -14.672 8.729 14.038 325 HG21 VAL 40 HG21 VAL 40 -12.244 8.762 15.324 326 HG22 VAL 40 HG22 VAL 40 -11.191 7.396 14.960 327 HG23 VAL 40 HG23 VAL 40 -12.704 7.136 15.828 328 H CYS 41 HN CYS 41 -11.322 7.709 11.659 329 HA CYS 41 HA CYS 41 -8.684 7.108 12.428 330 HB2 CYS 41 HB2 CYS 41 -9.803 5.146 10.763 331 HB3 CYS 41 HB1 CYS 41 -8.760 6.100 9.716 332 HG CYS 41 HG CYS 41 -6.847 5.561 11.589 333 H PHE 42 HN PHE 42 -7.090 8.269 11.174 334 HA PHE 42 HA PHE 42 -8.096 10.021 9.079 335 HB2 PHE 42 HB2 PHE 42 -6.707 11.890 10.440 336 HB3 PHE 42 HB1 PHE 42 -8.445 11.671 10.593 337 HD1 PHE 42 HD1 PHE 42 -9.238 10.071 12.469 338 HD2 PHE 42 HD2 PHE 42 -5.367 11.834 12.316 339 HE1 PHE 42 HE1 PHE 42 -8.979 9.707 14.889 340 HE2 PHE 42 HE2 PHE 42 -5.102 11.472 14.735 341 HZ PHE 42 HZ PHE 42 -6.910 10.408 16.024 342 H LYS 43 HN LYS 43 -5.189 9.725 11.152 343 HA LYS 43 HA LYS 43 -3.605 8.950 8.859 344 HB2 LYS 43 HB2 LYS 43 -2.035 10.795 8.994 345 HB3 LYS 43 HB1 LYS 43 -3.653 11.403 8.671 346 HG2 LYS 43 HG2 LYS 43 -3.651 11.578 11.341 347 HG3 LYS 43 HG1 LYS 43 -1.924 11.768 11.033 348 HD2 LYS 43 HD2 LYS 43 -2.208 13.736 9.879 349 HD3 LYS 43 HD1 LYS 43 -3.860 13.341 9.400 350 HE2 LYS 43 HE2 LYS 43 -4.495 13.594 11.828 351 HE3 LYS 43 HE1 LYS 43 -2.884 14.260 12.097 352 HZ1 LYS 43 HZ1 LYS 43 -4.070 15.567 9.905 353 HZ2 LYS 43 HZ2 LYS 43 -3.598 16.217 11.392 354 HZ3 LYS 43 HZ3 LYS 43 -5.158 15.593 11.202 355 H VAL 44 HN VAL 44 -2.709 7.182 9.737 356 HA VAL 44 HA VAL 44 -2.236 6.288 12.144 357 HB VAL 44 HB VAL 44 -0.526 6.165 9.721 358 HG11 VAL 44 HG11 VAL 44 1.018 4.572 10.995 359 HG12 VAL 44 HG12 VAL 44 0.441 5.383 12.450 360 HG13 VAL 44 HG13 VAL 44 1.278 6.304 11.201 361 HG21 VAL 44 HG21 VAL 44 -2.483 4.576 11.015 362 HG22 VAL 44 HG22 VAL 44 -0.980 3.656 10.959 363 HG23 VAL 44 HG23 VAL 44 -1.680 4.293 9.475 364 H LYS 45 HN LYS 45 0.272 8.382 10.682 365 HA LYS 45 HA LYS 45 1.725 9.871 11.587 366 HB2 LYS 45 HB2 LYS 45 -0.630 10.320 12.928 367 HB3 LYS 45 HB1 LYS 45 0.503 10.052 14.244 368 HG2 LYS 45 HG2 LYS 45 1.144 11.957 12.027 369 HG3 LYS 45 HG1 LYS 45 0.143 12.446 13.394 370 HD2 LYS 45 HD2 LYS 45 1.894 12.523 14.802 371 HD3 LYS 45 HD1 LYS 45 2.611 11.051 14.143 372 HE2 LYS 45 HE2 LYS 45 3.160 12.567 12.097 373 HE3 LYS 45 HE1 LYS 45 2.927 13.886 13.242 374 HZ1 LYS 45 HZ1 LYS 45 5.112 13.521 13.590 375 HZ2 LYS 45 HZ2 LYS 45 5.054 11.903 13.104 376 HZ3 LYS 45 HZ3 LYS 45 4.537 12.338 14.655 377 H THR 46 HN THR 46 0.747 8.127 14.545 378 HA THR 46 HA THR 46 3.568 7.340 14.858 379 HB THR 46 HB THR 46 1.553 7.595 17.086 380 HG1 THR 46 HG1 THR 46 3.320 9.528 16.017 381 HG21 THR 46 HG21 THR 46 4.207 6.644 17.011 382 HG22 THR 46 HG22 THR 46 3.169 6.903 18.415 383 HG23 THR 46 HG23 THR 46 4.219 8.200 17.842 384 H THR 47 HN THR 47 3.944 5.280 14.519 385 HA THR 47 HA THR 47 2.158 3.261 15.619 386 HB THR 47 HB THR 47 2.604 1.992 13.342 387 HG1 THR 47 HG1 THR 47 2.645 4.718 12.565 388 HG21 THR 47 HG21 THR 47 0.376 2.224 13.817 389 HG22 THR 47 HG22 THR 47 0.531 3.205 12.361 390 HG23 THR 47 HG23 THR 47 0.473 3.980 13.945 391 H ALA 48 HN ALA 48 4.874 3.200 13.338 392 HA ALA 48 HA ALA 48 6.852 2.080 13.355 393 HB1 ALA 48 HB1 ALA 48 8.012 2.246 15.697 394 HB2 ALA 48 HB2 ALA 48 6.656 3.314 16.059 395 HB3 ALA 48 HB3 ALA 48 7.743 3.690 14.722 396 HA PRO 49 HA PRO 49 5.122 -1.771 15.329 397 HB2 PRO 49 HB2 PRO 49 4.720 -3.212 13.106 398 HB3 PRO 49 HB1 PRO 49 3.540 -2.011 13.645 399 HG2 PRO 49 HG2 PRO 49 5.642 -1.779 11.523 400 HG3 PRO 49 HG1 PRO 49 3.948 -1.255 11.479 401 HD2 PRO 49 HD2 PRO 49 6.038 0.430 11.998 402 HD3 PRO 49 HD1 PRO 49 4.391 0.687 12.608 403 H ARG 50 HN ARG 50 5.894 -4.172 14.371 404 HA ARG 50 HA ARG 50 8.712 -4.165 14.847 405 HB2 ARG 50 HB2 ARG 50 6.578 -6.161 14.591 406 HB3 ARG 50 HB1 ARG 50 8.124 -6.702 13.951 407 HG2 ARG 50 HG2 ARG 50 9.157 -6.629 16.002 408 HG3 ARG 50 HG1 ARG 50 8.022 -5.443 16.650 409 HD2 ARG 50 HD2 ARG 50 6.392 -7.036 17.061 410 HD3 ARG 50 HD1 ARG 50 7.069 -8.174 15.896 411 HE ARG 50 HE ARG 50 7.780 -7.899 18.660 412 HH11 ARG 50 HH11 ARG 50 8.913 -8.915 15.520 413 HH12 ARG 50 HH12 ARG 50 10.099 -10.002 16.160 414 HH21 ARG 50 HH21 ARG 50 9.339 -9.330 19.505 415 HH22 ARG 50 HH22 ARG 50 10.340 -10.238 18.424 416 H ARG 51 HN ARG 51 7.079 -5.859 12.191 417 HA ARG 51 HA ARG 51 8.094 -4.464 10.032 418 HB2 ARG 51 HB2 ARG 51 10.212 -5.652 11.337 419 HB3 ARG 51 HB1 ARG 51 9.833 -6.828 10.088 420 HG2 ARG 51 HG2 ARG 51 9.939 -4.935 8.431 421 HG3 ARG 51 HG1 ARG 51 10.597 -3.945 9.734 422 HD2 ARG 51 HD2 ARG 51 11.856 -6.586 9.221 423 HD3 ARG 51 HD1 ARG 51 12.153 -5.293 8.059 424 HE ARG 51 HE ARG 51 12.639 -4.156 10.495 425 HH11 ARG 51 HH11 ARG 51 13.858 -6.947 8.790 426 HH12 ARG 51 HH12 ARG 51 15.423 -6.870 9.528 427 HH21 ARG 51 HH21 ARG 51 14.696 -4.053 11.466 428 HH22 ARG 51 HH22 ARG 51 15.899 -5.227 11.048 429 H TYR 52 HN TYR 52 6.000 -5.111 9.360 430 HA TYR 52 HA TYR 52 5.977 -7.508 7.820 431 HB2 TYR 52 HB2 TYR 52 5.138 -7.771 10.497 432 HB3 TYR 52 HB1 TYR 52 3.674 -7.800 9.522 433 HD1 TYR 52 HD1 TYR 52 3.994 -9.312 7.283 434 HD2 TYR 52 HD2 TYR 52 6.077 -9.817 10.958 435 HE1 TYR 52 HE1 TYR 52 4.415 -11.666 6.713 436 HE2 TYR 52 HE2 TYR 52 6.507 -12.172 10.398 437 HH TYR 52 HH TYR 52 6.661 -13.505 8.032 438 H CYS 53 HN CYS 53 3.702 -5.281 9.459 439 HA CYS 53 HA CYS 53 2.876 -3.789 7.313 440 HB2 CYS 53 HB2 CYS 53 2.008 -6.472 6.871 441 HB3 CYS 53 HB1 CYS 53 0.579 -5.531 7.263 442 HG CYS 53 HG CYS 53 0.866 -5.389 4.683 443 H VAL 54 HN VAL 54 1.311 -2.320 7.917 444 HA VAL 54 HA VAL 54 0.594 -2.269 10.682 445 HB VAL 54 HB VAL 54 -0.716 -0.218 10.039 446 HG11 VAL 54 HG11 VAL 54 1.361 1.078 9.354 447 HG12 VAL 54 HG12 VAL 54 2.200 -0.474 9.356 448 HG13 VAL 54 HG13 VAL 54 1.467 0.135 10.840 449 HG21 VAL 54 HG21 VAL 54 0.580 -0.118 7.401 450 HG22 VAL 54 HG22 VAL 54 -1.016 0.434 7.904 451 HG23 VAL 54 HG23 VAL 54 -0.747 -1.271 7.544 452 H ARG 55 HN ARG 55 -1.269 -2.852 11.664 453 HA ARG 55 HA ARG 55 -3.746 -3.125 10.237 454 HB2 ARG 55 HB2 ARG 55 -2.020 -5.437 10.678 455 HB3 ARG 55 HB1 ARG 55 -3.658 -5.672 11.256 456 HG2 ARG 55 HG2 ARG 55 -4.572 -5.331 9.108 457 HG3 ARG 55 HG1 ARG 55 -3.047 -4.706 8.479 458 HD2 ARG 55 HD2 ARG 55 -2.158 -7.072 9.206 459 HD3 ARG 55 HD1 ARG 55 -3.858 -7.513 9.062 460 HE ARG 55 HE ARG 55 -2.864 -6.105 6.771 461 HH11 ARG 55 HH11 ARG 55 -3.115 -9.238 8.288 462 HH12 ARG 55 HH12 ARG 55 -2.979 -10.109 6.798 463 HH21 ARG 55 HH21 ARG 55 -2.685 -7.248 4.810 464 HH22 ARG 55 HH22 ARG 55 -2.732 -8.980 4.823 465 H SER 56 HN SER 56 -3.689 -1.500 12.138 466 HA SER 56 HA SER 56 -4.768 -0.907 14.074 467 HB2 SER 56 HB2 SER 56 -5.400 -3.692 14.879 468 HB3 SER 56 HB1 SER 56 -6.416 -2.251 14.909 469 HG SER 56 HG SER 56 -6.033 -2.624 12.408 470 H ASN 57 HN ASN 57 -1.965 -1.552 13.936 471 HA ASN 57 HA ASN 57 -1.343 -2.959 16.393 472 HB2 ASN 57 HB2 ASN 57 0.288 -1.747 14.196 473 HB3 ASN 57 HB1 ASN 57 1.053 -2.197 15.717 474 HD21 ASN 57 1HE2 ASN 57 0.468 -4.459 16.471 475 HD22 ASN 57 2HE2 ASN 57 0.487 -5.693 15.262 476 H SER 58 HN SER 58 -1.323 0.445 15.357 477 HA SER 58 HA SER 58 -0.015 1.262 17.803 478 HB2 SER 58 HB2 SER 58 0.481 2.470 15.770 479 HB3 SER 58 HB1 SER 58 -1.217 2.892 15.566 480 HG SER 58 HG SER 58 0.201 3.611 17.897 481 H GLY 59 HN GLY 59 -3.357 1.386 16.573 482 HA2 GLY 59 HA2 GLY 59 -4.650 1.230 18.940 483 HA3 GLY 59 HA1 GLY 59 -4.253 2.937 18.823 484 H ILE 60 HN ILE 60 -5.139 0.812 16.127 485 HA ILE 60 HA ILE 60 -6.930 0.781 14.736 486 HB ILE 60 HB ILE 60 -8.404 2.446 16.771 487 HG12 ILE 60 HG12 ILE 60 -7.441 0.423 17.819 488 HG13 ILE 60 HG11 ILE 60 -9.199 0.352 17.738 489 HG21 ILE 60 HG21 ILE 60 -9.461 2.303 14.580 490 HG22 ILE 60 HG22 ILE 60 -10.389 1.412 15.786 491 HG23 ILE 60 HG23 ILE 60 -9.369 0.544 14.639 492 HD11 ILE 60 HD11 ILE 60 -8.918 -1.677 16.886 493 HD12 ILE 60 HD12 ILE 60 -7.205 -1.399 16.568 494 HD13 ILE 60 HD13 ILE 60 -8.417 -0.865 15.403 495 H ILE 61 HN ILE 61 -6.798 4.003 16.304 496 HA ILE 61 HA ILE 61 -7.535 5.334 13.867 497 HB ILE 61 HB ILE 61 -7.078 5.996 16.675 498 HG12 ILE 61 HG12 ILE 61 -8.835 7.832 15.730 499 HG13 ILE 61 HG11 ILE 61 -9.003 6.581 14.504 500 HG21 ILE 61 HG21 ILE 61 -6.740 8.436 16.220 501 HG22 ILE 61 HG22 ILE 61 -6.339 8.004 14.557 502 HG23 ILE 61 HG23 ILE 61 -5.342 7.412 15.886 503 HD11 ILE 61 HD11 ILE 61 -9.035 5.420 17.129 504 HD12 ILE 61 HD12 ILE 61 -10.250 5.352 15.853 505 HD13 ILE 61 HD13 ILE 61 -10.243 6.697 16.995 506 H ASP 62 HN ASP 62 -4.586 4.852 15.709 507 HA ASP 62 HA ASP 62 -2.990 6.406 13.875 508 HB2 ASP 62 HB2 ASP 62 -2.427 4.975 16.461 509 HB3 ASP 62 HB1 ASP 62 -1.115 5.544 15.435 510 H ALA 63 HN ALA 63 -3.975 3.175 14.426 511 HA ALA 63 HA ALA 63 -1.744 1.954 13.059 512 HB1 ALA 63 HB1 ALA 63 -4.318 0.799 14.067 513 HB2 ALA 63 HB2 ALA 63 -2.790 0.860 14.932 514 HB3 ALA 63 HB3 ALA 63 -2.938 -0.122 13.479 515 H GLY 64 HN GLY 64 -5.114 2.710 12.197 516 HA2 GLY 64 HA2 GLY 64 -4.546 1.516 9.549 517 HA3 GLY 64 HA1 GLY 64 -6.131 1.498 10.296 518 H ALA 65 HN ALA 65 -3.742 4.074 9.736 519 HA ALA 65 HA ALA 65 -5.747 5.417 8.072 520 HB1 ALA 65 HB1 ALA 65 -4.840 7.585 9.183 521 HB2 ALA 65 HB2 ALA 65 -4.412 6.500 10.503 522 HB3 ALA 65 HB3 ALA 65 -6.088 6.636 9.980 523 H SER 66 HN SER 66 -2.824 4.074 8.007 524 HA SER 66 HA SER 66 -1.821 6.039 6.061 525 HB2 SER 66 HB2 SER 66 -0.383 4.788 8.338 526 HB3 SER 66 HB1 SER 66 0.499 4.908 6.819 527 HG SER 66 HG SER 66 -0.862 7.106 7.969 528 H ILE 67 HN ILE 67 -3.440 3.561 5.793 529 HA ILE 67 HA ILE 67 -1.846 1.477 4.747 530 HB ILE 67 HB ILE 67 -4.174 1.120 5.423 531 HG12 ILE 67 HG12 ILE 67 -3.801 0.595 2.465 532 HG13 ILE 67 HG11 ILE 67 -3.087 -0.377 3.749 533 HG21 ILE 67 HG21 ILE 67 -5.340 2.240 2.980 534 HG22 ILE 67 HG22 ILE 67 -4.726 3.437 4.120 535 HG23 ILE 67 HG23 ILE 67 -5.935 2.263 4.637 536 HD11 ILE 67 HD11 ILE 67 -5.091 -1.409 2.825 537 HD12 ILE 67 HD12 ILE 67 -6.034 0.009 3.282 538 HD13 ILE 67 HD13 ILE 67 -5.299 -1.000 4.528 539 H ASN 68 HN ASN 68 -2.582 4.552 3.584 540 HA ASN 68 HA ASN 68 -1.453 5.501 1.724 541 HB2 ASN 68 HB2 ASN 68 -0.509 3.190 1.142 542 HB3 ASN 68 HB1 ASN 68 -1.963 2.956 0.180 543 HD21 ASN 68 1HE2 ASN 68 -0.159 2.700 -1.463 544 HD22 ASN 68 2HE2 ASN 68 0.330 4.130 -2.301 545 H VAL 69 HN VAL 69 -4.468 4.107 2.199 546 HA VAL 69 HA VAL 69 -5.682 5.107 -0.232 547 HB VAL 69 HB VAL 69 -7.054 3.940 2.188 548 HG11 VAL 69 HG11 VAL 69 -8.987 4.042 1.049 549 HG12 VAL 69 HG12 VAL 69 -8.222 3.628 -0.486 550 HG13 VAL 69 HG13 VAL 69 -8.169 5.288 0.107 551 HG21 VAL 69 HG21 VAL 69 -6.892 1.809 1.243 552 HG22 VAL 69 HG22 VAL 69 -5.283 2.494 1.019 553 HG23 VAL 69 HG23 VAL 69 -6.414 2.442 -0.332 554 H SER 70 HN SER 70 -5.467 6.057 3.157 555 HA SER 70 HA SER 70 -7.542 7.892 3.279 556 HB2 SER 70 HB2 SER 70 -4.987 7.510 4.736 557 HB3 SER 70 HB1 SER 70 -5.748 9.093 4.889 558 HG SER 70 HG SER 70 -7.689 7.934 5.488 559 H VAL 71 HN VAL 71 -4.190 8.426 2.274 560 HA VAL 71 HA VAL 71 -4.467 10.066 0.176 561 HB VAL 71 HB VAL 71 -5.878 11.593 1.497 562 HG11 VAL 71 HG11 VAL 71 -5.343 12.437 3.509 563 HG12 VAL 71 HG12 VAL 71 -3.645 12.653 3.083 564 HG13 VAL 71 HG13 VAL 71 -4.235 11.066 3.580 565 HG21 VAL 71 HG21 VAL 71 -5.065 13.464 0.513 566 HG22 VAL 71 HG22 VAL 71 -4.018 12.289 -0.282 567 HG23 VAL 71 HG23 VAL 71 -3.425 13.200 1.106 568 H MET 72 HN MET 72 -2.582 8.320 1.410 569 HA MET 72 HA MET 72 -0.328 8.031 1.519 570 HB2 MET 72 HB2 MET 72 -0.629 9.959 -0.376 571 HB3 MET 72 HB1 MET 72 0.382 10.801 0.790 572 HG2 MET 72 HG2 MET 72 2.188 9.602 0.271 573 HG3 MET 72 HG1 MET 72 1.285 8.090 0.210 574 HE1 MET 72 HE1 MET 72 3.434 10.245 -2.413 575 HE2 MET 72 HE2 MET 72 3.419 8.586 -3.010 576 HE3 MET 72 HE3 MET 72 3.662 8.903 -1.292 577 H LEU 73 HN LEU 73 -0.754 11.467 2.379 578 HA LEU 73 HA LEU 73 -0.236 12.649 4.247 579 HB2 LEU 73 HB2 LEU 73 -0.818 9.941 5.354 580 HB3 LEU 73 HB1 LEU 73 -0.123 11.152 6.413 581 HG LEU 73 HG LEU 73 -2.525 11.922 4.837 582 HD11 LEU 73 HD11 LEU 73 -2.529 9.995 7.143 583 HD12 LEU 73 HD12 LEU 73 -3.307 9.825 5.568 584 HD13 LEU 73 HD13 LEU 73 -3.925 10.993 6.737 585 HD21 LEU 73 HD21 LEU 73 -2.961 12.893 7.237 586 HD22 LEU 73 HD22 LEU 73 -1.823 13.673 6.138 587 HD23 LEU 73 HD23 LEU 73 -1.228 12.624 7.425 588 H GLN 74 HN GLN 74 1.421 12.836 6.066 589 HA GLN 74 HA GLN 74 3.986 12.657 5.022 590 HB2 GLN 74 HB2 GLN 74 2.826 13.225 7.684 591 HB3 GLN 74 HB1 GLN 74 4.516 12.737 7.672 592 HG2 GLN 74 HG2 GLN 74 4.819 14.541 5.878 593 HG3 GLN 74 HG1 GLN 74 3.244 15.132 6.404 594 HE21 GLN 74 1HE2 GLN 74 4.922 16.972 6.737 595 HE22 GLN 74 2HE2 GLN 74 5.552 17.098 8.342 596 HA PRO 75 HA PRO 75 5.567 8.584 5.451 597 HB2 PRO 75 HB2 PRO 75 7.738 9.756 7.131 598 HB3 PRO 75 HB1 PRO 75 7.855 8.703 5.716 599 HG2 PRO 75 HG2 PRO 75 8.370 11.305 5.511 600 HG3 PRO 75 HG1 PRO 75 7.503 10.446 4.225 601 HD2 PRO 75 HD2 PRO 75 6.456 12.321 6.294 602 HD3 PRO 75 HD1 PRO 75 5.928 12.078 4.616 603 H PHE 76 HN PHE 76 6.069 6.896 7.040 604 HA PHE 76 HA PHE 76 4.885 7.494 9.671 605 HB2 PHE 76 HB2 PHE 76 4.727 4.769 9.465 606 HB3 PHE 76 HB1 PHE 76 3.424 5.884 9.071 607 HD1 PHE 76 HD2 PHE 76 3.337 6.730 6.628 608 HD2 PHE 76 HD1 PHE 76 5.489 3.277 7.875 609 HE1 PHE 76 HE2 PHE 76 3.307 5.883 4.318 610 HE2 PHE 76 HE1 PHE 76 5.464 2.423 5.568 611 HZ PHE 76 HZ PHE 76 4.371 3.727 3.786 612 H ASP 77 HN ASP 77 7.089 5.089 8.208 613 HA ASP 77 HA ASP 77 8.554 4.944 10.724 614 HB2 ASP 77 HB2 ASP 77 8.622 3.305 8.193 615 HB3 ASP 77 HB1 ASP 77 9.813 3.104 9.473 616 H TYR 78 HN TYR 78 8.802 7.394 9.401 617 HA TYR 78 HA TYR 78 11.435 7.323 8.129 618 HB2 TYR 78 HB2 TYR 78 9.389 8.634 7.220 619 HB3 TYR 78 HB1 TYR 78 9.762 9.797 8.485 620 HD1 TYR 78 HD1 TYR 78 12.799 9.591 8.345 621 HD2 TYR 78 HD2 TYR 78 9.831 9.940 5.314 622 HE1 TYR 78 HE1 TYR 78 14.441 10.665 6.870 623 HE2 TYR 78 HE2 TYR 78 11.470 11.014 3.830 624 HH TYR 78 HH TYR 78 14.827 11.081 4.537 625 H ASP 79 HN ASP 79 9.894 9.638 10.364 626 HA ASP 79 HA ASP 79 12.341 10.448 11.492 627 HB2 ASP 79 HB2 ASP 79 9.479 10.907 12.106 628 HB3 ASP 79 HB1 ASP 79 10.620 11.194 13.417 629 HA PRO 80 HA PRO 80 11.792 7.753 15.309 630 HB2 PRO 80 HB2 PRO 80 9.447 6.703 16.051 631 HB3 PRO 80 HB1 PRO 80 9.806 8.413 16.325 632 HG2 PRO 80 HG2 PRO 80 8.185 7.146 14.147 633 HG3 PRO 80 HG1 PRO 80 7.824 8.589 15.113 634 HD2 PRO 80 HD2 PRO 80 8.875 8.676 12.589 635 HD3 PRO 80 HD1 PRO 80 9.129 9.939 13.809 636 H ASN 81 HN ASN 81 12.879 6.526 13.461 637 HA ASN 81 HA ASN 81 12.645 3.818 13.710 638 HB2 ASN 81 HB2 ASN 81 10.488 4.848 12.067 639 HB3 ASN 81 HB1 ASN 81 11.461 3.681 11.183 640 HD21 ASN 81 1HE2 ASN 81 10.010 2.044 11.150 641 HD22 ASN 81 2HE2 ASN 81 9.467 1.209 12.561 642 H GLU 82 HN GLU 82 14.724 5.234 13.445 643 HA GLU 82 HA GLU 82 15.703 5.590 10.790 644 HB2 GLU 82 HB2 GLU 82 16.514 6.355 13.398 645 HB3 GLU 82 HB1 GLU 82 17.850 5.460 12.688 646 HG2 GLU 82 HG2 GLU 82 18.428 7.411 11.788 647 HG3 GLU 82 HG1 GLU 82 17.129 7.101 10.637 648 H LYS 83 HN LYS 83 16.116 3.084 13.266 649 HA LYS 83 HA LYS 83 18.135 1.632 11.931 650 HB2 LYS 83 HB2 LYS 83 16.372 1.224 14.193 651 HB3 LYS 83 HB1 LYS 83 16.473 -0.243 13.230 652 HG2 LYS 83 HG2 LYS 83 19.092 0.497 13.389 653 HG3 LYS 83 HG1 LYS 83 18.466 1.020 14.954 654 HD2 LYS 83 HD2 LYS 83 17.994 -1.111 15.632 655 HD3 LYS 83 HD1 LYS 83 17.711 -1.687 13.988 656 HE2 LYS 83 HE2 LYS 83 20.370 -1.012 13.941 657 HE3 LYS 83 HE1 LYS 83 20.165 -1.652 15.571 658 HZ1 LYS 83 HZ1 LYS 83 19.516 -3.711 14.768 659 HZ2 LYS 83 HZ2 LYS 83 20.745 -3.268 13.693 660 HZ3 LYS 83 HZ3 LYS 83 19.124 -3.118 13.232 661 H SER 84 HN SER 84 14.627 1.422 11.928 662 HA SER 84 HA SER 84 14.357 -0.597 9.978 663 HB2 SER 84 HB2 SER 84 12.463 1.648 10.685 664 HB3 SER 84 HB1 SER 84 12.038 0.234 9.720 665 HG SER 84 HG SER 84 13.051 0.088 12.364 666 H LYS 85 HN LYS 85 15.172 2.725 9.711 667 HA LYS 85 HA LYS 85 15.319 4.177 7.922 668 HB2 LYS 85 HB2 LYS 85 17.364 2.949 7.818 669 HB3 LYS 85 HB1 LYS 85 16.615 1.661 6.889 670 HG2 LYS 85 HG2 LYS 85 16.122 3.634 5.209 671 HG3 LYS 85 HG1 LYS 85 17.496 4.368 6.035 672 HD2 LYS 85 HD2 LYS 85 17.580 1.585 4.897 673 HD3 LYS 85 HD1 LYS 85 18.018 3.012 3.956 674 HE2 LYS 85 HE2 LYS 85 19.875 3.468 5.278 675 HE3 LYS 85 HE1 LYS 85 19.268 2.513 6.630 676 HZ1 LYS 85 HZ1 LYS 85 19.736 0.510 5.458 677 HZ2 LYS 85 HZ2 LYS 85 21.129 1.467 5.395 678 HZ3 LYS 85 HZ3 LYS 85 20.125 1.345 4.040 679 H HIS 86 HN HIS 86 13.194 4.566 7.235 680 HA HIS 86 HA HIS 86 12.367 3.036 4.831 681 HB2 HIS 86 HB2 HIS 86 10.932 3.442 7.304 682 HB3 HIS 86 HB1 HIS 86 10.003 4.037 5.932 683 HD1 HIS 86 HD1 HIS 86 10.979 1.840 3.893 684 HD2 HIS 86 HD2 HIS 86 9.499 1.126 7.710 685 HE1 HIS 86 HE1 HIS 86 10.122 -0.524 3.850 686 HE2 HIS 86 HE2 HIS 86 9.313 -0.963 6.196 687 H LYS 87 HN LYS 87 10.603 4.178 3.518 688 HA LYS 87 HA LYS 87 10.055 6.871 3.470 689 HB2 LYS 87 HB2 LYS 87 12.772 6.299 2.562 690 HB3 LYS 87 HB1 LYS 87 11.828 7.188 1.377 691 HG2 LYS 87 HG2 LYS 87 11.572 9.023 2.755 692 HG3 LYS 87 HG1 LYS 87 11.899 8.096 4.220 693 HD2 LYS 87 HD2 LYS 87 14.061 8.272 2.193 694 HD3 LYS 87 HD1 LYS 87 13.701 9.722 3.131 695 HE2 LYS 87 HE2 LYS 87 14.015 8.470 5.202 696 HE3 LYS 87 HE1 LYS 87 14.345 7.007 4.275 697 HZ1 LYS 87 HZ1 LYS 87 16.366 7.833 3.541 698 HZ2 LYS 87 HZ2 LYS 87 16.313 8.367 5.145 699 HZ3 LYS 87 HZ3 LYS 87 15.967 9.441 3.884 700 H PHE 88 HN PHE 88 8.542 7.288 1.778 701 HA PHE 88 HA PHE 88 7.742 5.060 0.193 702 HB2 PHE 88 HB2 PHE 88 5.944 6.523 -0.596 703 HB3 PHE 88 HB1 PHE 88 6.110 6.566 1.156 704 HD1 PHE 88 HD1 PHE 88 6.957 8.551 2.277 705 HD2 PHE 88 HD2 PHE 88 6.437 8.449 -1.945 706 HE1 PHE 88 HE1 PHE 88 7.131 11.004 2.200 707 HE2 PHE 88 HE2 PHE 88 6.611 10.902 -2.030 708 HZ PHE 88 HZ PHE 88 6.958 12.182 0.044 709 H MET 89 HN MET 89 8.975 8.321 -0.916 710 HA MET 89 HA MET 89 8.961 7.389 -3.653 711 HB2 MET 89 HB2 MET 89 9.467 9.957 -2.330 712 HB3 MET 89 HB1 MET 89 10.664 9.645 -3.569 713 HG2 MET 89 HG2 MET 89 8.793 9.355 -5.229 714 HG3 MET 89 HG1 MET 89 7.655 9.810 -3.965 715 HE1 MET 89 HE1 MET 89 6.798 11.512 -5.958 716 HE2 MET 89 HE2 MET 89 8.048 12.247 -6.963 717 HE3 MET 89 HE3 MET 89 7.252 13.199 -5.717 718 H VAL 90 HN VAL 90 11.233 7.675 -1.043 719 HA VAL 90 HA VAL 90 13.601 6.836 -2.447 720 HB VAL 90 HB VAL 90 13.417 6.699 0.519 721 HG11 VAL 90 HG11 VAL 90 15.556 6.222 -0.007 722 HG12 VAL 90 HG12 VAL 90 15.701 7.979 -0.064 723 HG13 VAL 90 HG13 VAL 90 15.478 7.063 -1.556 724 HG21 VAL 90 HG21 VAL 90 13.263 9.191 -1.138 725 HG22 VAL 90 HG22 VAL 90 14.053 9.206 0.438 726 HG23 VAL 90 HG23 VAL 90 12.351 8.760 0.308 727 H GLN 91 HN GLN 91 10.985 5.107 -1.202 728 HA GLN 91 HA GLN 91 12.133 2.892 -0.031 729 HB2 GLN 91 HB2 GLN 91 9.584 3.649 -0.750 730 HB3 GLN 91 HB1 GLN 91 9.847 2.204 -1.713 731 HG2 GLN 91 HG2 GLN 91 9.885 0.838 0.085 732 HG3 GLN 91 HG1 GLN 91 10.614 2.053 1.134 733 HE21 GLN 91 1HE2 GLN 91 7.634 1.952 -0.792 734 HE22 GLN 91 2HE2 GLN 91 6.573 2.337 0.516 735 H SER 92 HN SER 92 12.428 3.760 -3.330 736 HA SER 92 HA SER 92 12.497 1.252 -4.558 737 HB2 SER 92 HB2 SER 92 14.193 3.644 -5.292 738 HB3 SER 92 HB1 SER 92 13.713 2.320 -6.352 739 HG SER 92 HG SER 92 12.193 4.450 -5.353 740 H MET 93 HN MET 93 14.734 2.569 -2.289 741 HA MET 93 HA MET 93 17.030 1.091 -3.153 742 HB2 MET 93 HB2 MET 93 17.105 3.215 -1.762 743 HB3 MET 93 HB1 MET 93 16.507 2.261 -0.412 744 HG2 MET 93 HG2 MET 93 18.681 2.029 0.058 745 HG3 MET 93 HG1 MET 93 18.611 0.758 -1.162 746 HE1 MET 93 HE1 MET 93 21.763 1.817 -1.095 747 HE2 MET 93 HE2 MET 93 21.645 1.581 -2.839 748 HE3 MET 93 HE3 MET 93 20.726 0.547 -1.745 749 H PHE 94 HN PHE 94 14.523 0.858 -0.722 750 HA PHE 94 HA PHE 94 15.360 -1.605 0.426 751 HB2 PHE 94 HB2 PHE 94 13.909 -0.366 1.773 752 HB3 PHE 94 HB1 PHE 94 12.835 0.018 0.436 753 HD1 PHE 94 HD1 PHE 94 11.390 -1.859 -0.497 754 HD2 PHE 94 HD2 PHE 94 13.433 -2.115 3.227 755 HE1 PHE 94 HE1 PHE 94 9.865 -3.654 0.209 756 HE2 PHE 94 HE2 PHE 94 11.912 -3.914 3.941 757 HZ PHE 94 HZ PHE 94 10.125 -4.685 2.432 758 H ALA 95 HN ALA 95 14.135 -0.879 -2.593 759 HA ALA 95 HA ALA 95 13.983 -3.553 -3.454 760 HB1 ALA 95 HB1 ALA 95 11.453 -2.234 -2.656 761 HB2 ALA 95 HB2 ALA 95 11.892 -3.941 -2.653 762 HB3 ALA 95 HB3 ALA 95 11.444 -3.149 -4.164 763 HA PRO 96 HA PRO 96 15.151 -0.360 -6.605 764 HB2 PRO 96 HB2 PRO 96 16.239 -2.412 -8.195 765 HB3 PRO 96 HB1 PRO 96 17.124 -1.327 -7.122 766 HG2 PRO 96 HG2 PRO 96 16.178 -4.107 -6.646 767 HG3 PRO 96 HG1 PRO 96 17.645 -3.300 -6.061 768 HD2 PRO 96 HD2 PRO 96 15.563 -3.736 -4.444 769 HD3 PRO 96 HD1 PRO 96 16.514 -2.240 -4.328 770 H THR 97 HN THR 97 13.293 -3.297 -6.811 771 HA THR 97 HA THR 97 12.490 -3.033 -9.518 772 HB THR 97 HB THR 97 10.468 -4.460 -8.415 773 HG1 THR 97 HG1 THR 97 10.934 -5.107 -6.489 774 HG21 THR 97 HG21 THR 97 11.745 -5.470 -10.095 775 HG22 THR 97 HG22 THR 97 11.952 -6.495 -8.675 776 HG23 THR 97 HG23 THR 97 13.227 -5.371 -9.147 777 H ASP 98 HN ASP 98 11.476 -1.517 -6.590 778 HA ASP 98 HA ASP 98 8.847 -0.857 -7.202 779 HB2 ASP 98 HB2 ASP 98 10.481 -0.385 -5.090 780 HB3 ASP 98 HB1 ASP 98 10.395 1.226 -5.798 781 H THR 99 HN THR 99 11.801 1.013 -7.878 782 HA THR 99 HA THR 99 10.550 3.190 -9.102 783 HB THR 99 HB THR 99 13.269 1.988 -9.674 784 HG1 THR 99 HG1 THR 99 12.516 4.143 -7.992 785 HG21 THR 99 HG21 THR 99 11.954 4.391 -10.731 786 HG22 THR 99 HG22 THR 99 13.291 3.442 -11.380 787 HG23 THR 99 HG23 THR 99 13.585 4.625 -10.105 788 H SER 100 HN SER 100 11.751 0.163 -10.469 789 HA SER 100 HA SER 100 11.018 0.769 -13.156 790 HB2 SER 100 HB2 SER 100 11.229 -2.067 -12.274 791 HB3 SER 100 HB1 SER 100 11.912 -1.274 -13.693 792 HG SER 100 HG SER 100 13.383 -0.220 -12.202 793 H ASP 101 HN ASP 101 9.375 -0.565 -10.422 794 HA ASP 101 HA ASP 101 7.295 -1.899 -11.776 795 HB2 ASP 101 HB2 ASP 101 8.023 -1.310 -9.057 796 HB3 ASP 101 HB1 ASP 101 6.300 -1.024 -9.288 797 H MET 102 HN MET 102 7.544 1.440 -10.555 798 HA MET 102 HA MET 102 4.876 2.159 -10.896 799 HB2 MET 102 HB2 MET 102 7.353 3.493 -10.378 800 HB3 MET 102 HB1 MET 102 6.495 4.396 -11.616 801 HG2 MET 102 HG2 MET 102 4.960 5.150 -10.174 802 HG3 MET 102 HG1 MET 102 4.815 3.594 -9.359 803 HE1 MET 102 HE1 MET 102 5.647 7.167 -8.812 804 HE2 MET 102 HE2 MET 102 6.109 6.993 -7.119 805 HE3 MET 102 HE3 MET 102 4.595 6.299 -7.693 806 H GLU 103 HN GLU 103 7.551 2.683 -13.218 807 HA GLU 103 HA GLU 103 5.793 3.524 -15.296 808 HB2 GLU 103 HB2 GLU 103 8.302 4.073 -14.914 809 HB3 GLU 103 HB1 GLU 103 8.590 2.574 -15.786 810 HG2 GLU 103 HG2 GLU 103 7.595 3.399 -17.746 811 HG3 GLU 103 HG1 GLU 103 6.863 4.760 -16.897 812 H ALA 104 HN ALA 104 7.813 0.634 -14.944 813 HA ALA 104 HA ALA 104 7.009 -0.635 -17.284 814 HB1 ALA 104 HB1 ALA 104 8.993 -1.094 -15.715 815 HB2 ALA 104 HB2 ALA 104 8.266 -2.438 -16.596 816 HB3 ALA 104 HB3 ALA 104 7.883 -2.190 -14.893 817 H VAL 105 HN VAL 105 5.490 -0.797 -14.084 818 HA VAL 105 HA VAL 105 4.036 -3.125 -14.494 819 HB VAL 105 HB VAL 105 3.493 -0.720 -12.788 820 HG11 VAL 105 HG11 VAL 105 1.645 -2.019 -11.728 821 HG12 VAL 105 HG12 VAL 105 1.724 -3.134 -13.090 822 HG13 VAL 105 HG13 VAL 105 1.289 -1.448 -13.358 823 HG21 VAL 105 HG21 VAL 105 4.396 -1.927 -11.103 824 HG22 VAL 105 HG22 VAL 105 5.178 -2.782 -12.433 825 HG23 VAL 105 HG23 VAL 105 3.725 -3.449 -11.689 826 H TRP 106 HN TRP 106 2.863 0.207 -15.067 827 HA TRP 106 HA TRP 106 0.569 -0.905 -16.442 828 HB2 TRP 106 HB2 TRP 106 1.417 1.867 -15.658 829 HB3 TRP 106 HB1 TRP 106 0.172 1.658 -16.884 830 HD1 TRP 106 HD1 TRP 106 -0.304 -1.107 -14.572 831 HE1 TRP 106 HE1 TRP 106 -2.133 -0.580 -12.839 832 HE3 TRP 106 HE3 TRP 106 -0.670 3.944 -15.284 833 HZ2 TRP 106 HZ2 TRP 106 -3.545 1.675 -11.899 834 HZ3 TRP 106 HZ3 TRP 106 -2.285 5.211 -13.928 835 HH2 TRP 106 HH2 TRP 106 -3.693 4.100 -12.272 836 H LYS 107 HN LYS 107 3.646 0.499 -17.260 837 HA LYS 107 HA LYS 107 3.333 1.399 -19.807 838 HB2 LYS 107 HB2 LYS 107 5.521 0.166 -18.312 839 HB3 LYS 107 HB1 LYS 107 5.643 -0.101 -20.044 840 HG2 LYS 107 HG2 LYS 107 5.176 2.474 -20.164 841 HG3 LYS 107 HG1 LYS 107 5.776 2.443 -18.506 842 HD2 LYS 107 HD2 LYS 107 7.895 1.988 -19.143 843 HD3 LYS 107 HD1 LYS 107 7.382 0.949 -20.473 844 HE2 LYS 107 HE2 LYS 107 8.502 2.944 -21.311 845 HE3 LYS 107 HE1 LYS 107 6.807 2.921 -21.796 846 HZ1 LYS 107 HZ1 LYS 107 6.654 4.282 -19.514 847 HZ2 LYS 107 HZ2 LYS 107 6.866 5.017 -21.023 848 HZ3 LYS 107 HZ3 LYS 107 8.201 4.745 -20.021 849 H GLU 108 HN GLU 108 3.693 -1.969 -18.802 850 HA GLU 108 HA GLU 108 1.944 -3.294 -20.275 851 HB2 GLU 108 HB2 GLU 108 3.942 -2.185 -22.144 852 HB3 GLU 108 HB1 GLU 108 3.605 -3.895 -22.360 853 HG2 GLU 108 HG2 GLU 108 1.113 -2.642 -22.064 854 HG3 GLU 108 HG1 GLU 108 2.055 -1.627 -23.155 855 H ALA 109 HN ALA 109 2.912 -4.181 -18.152 856 HA ALA 109 HA ALA 109 4.372 -6.562 -18.865 857 HB1 ALA 109 HB1 ALA 109 6.395 -6.119 -18.021 858 HB2 ALA 109 HB2 ALA 109 5.738 -5.234 -16.643 859 HB3 ALA 109 HB3 ALA 109 5.922 -4.429 -18.202 860 H LYS 110 HN LYS 110 1.828 -6.532 -17.934 861 HA LYS 110 HA LYS 110 1.383 -6.500 -15.218 862 HB2 LYS 110 HB2 LYS 110 -0.424 -6.743 -16.767 863 HB3 LYS 110 HB1 LYS 110 0.190 -8.287 -17.336 864 HG2 LYS 110 HG2 LYS 110 -0.420 -8.093 -14.452 865 HG3 LYS 110 HG1 LYS 110 -1.793 -8.053 -15.560 866 HD2 LYS 110 HD2 LYS 110 0.071 -10.108 -16.334 867 HD3 LYS 110 HD1 LYS 110 -0.400 -10.307 -14.645 868 HE2 LYS 110 HE2 LYS 110 -2.306 -9.996 -16.964 869 HE3 LYS 110 HE1 LYS 110 -1.879 -11.526 -16.198 870 HZ1 LYS 110 HZ1 LYS 110 -3.710 -11.079 -14.993 871 HZ2 LYS 110 HZ2 LYS 110 -3.637 -9.411 -15.262 872 HZ3 LYS 110 HZ3 LYS 110 -2.655 -10.121 -14.081 873 HA PRO 111 HA PRO 111 2.683 -11.101 -14.765 874 HB2 PRO 111 HB2 PRO 111 4.241 -12.228 -16.680 875 HB3 PRO 111 HB1 PRO 111 2.477 -12.314 -16.695 876 HG2 PRO 111 HG2 PRO 111 4.304 -10.545 -18.249 877 HG3 PRO 111 HG1 PRO 111 2.801 -11.333 -18.757 878 HD2 PRO 111 HD2 PRO 111 2.990 -8.704 -18.064 879 HD3 PRO 111 HD1 PRO 111 1.498 -9.648 -17.924 880 H GLU 112 HN GLU 112 4.802 -8.766 -16.221 881 HA GLU 112 HA GLU 112 7.227 -9.758 -15.083 882 HB2 GLU 112 HB2 GLU 112 6.633 -6.987 -16.129 883 HB3 GLU 112 HB1 GLU 112 8.222 -7.694 -15.875 884 HG2 GLU 112 HG2 GLU 112 7.231 -9.515 -17.545 885 HG3 GLU 112 HG1 GLU 112 6.276 -8.124 -18.058 886 H ASP 113 HN ASP 113 4.730 -7.504 -14.117 887 HA ASP 113 HA ASP 113 6.131 -6.176 -12.072 888 HB2 ASP 113 HB2 ASP 113 3.166 -6.731 -12.069 889 HB3 ASP 113 HB1 ASP 113 4.014 -5.363 -11.348 890 H LEU 114 HN LEU 114 3.941 -8.993 -11.881 891 HA LEU 114 HA LEU 114 4.093 -9.383 -9.136 892 HB2 LEU 114 HB2 LEU 114 4.019 -11.963 -10.013 893 HB3 LEU 114 HB1 LEU 114 2.621 -10.928 -9.826 894 HG LEU 114 HG LEU 114 3.977 -10.769 -12.443 895 HD11 LEU 114 HD11 LEU 114 3.791 -13.272 -11.515 896 HD12 LEU 114 HD12 LEU 114 3.559 -12.851 -13.212 897 HD13 LEU 114 HD13 LEU 114 2.162 -13.077 -12.160 898 HD21 LEU 114 HD21 LEU 114 1.991 -9.506 -12.129 899 HD22 LEU 114 HD22 LEU 114 1.137 -10.895 -11.459 900 HD23 LEU 114 HD23 LEU 114 1.570 -10.867 -13.167 901 H MET 115 HN MET 115 6.369 -10.127 -11.657 902 HA MET 115 HA MET 115 8.088 -11.758 -10.054 903 HB2 MET 115 HB2 MET 115 7.938 -10.915 -12.785 904 HB3 MET 115 HB1 MET 115 9.555 -10.581 -12.182 905 HG2 MET 115 HG2 MET 115 8.816 -13.168 -11.296 906 HG3 MET 115 HG1 MET 115 8.437 -13.051 -13.013 907 HE1 MET 115 HE1 MET 115 11.589 -12.516 -14.820 908 HE2 MET 115 HE2 MET 115 11.222 -10.998 -14.001 909 HE3 MET 115 HE3 MET 115 9.915 -11.992 -14.644 910 H ASP 116 HN ASP 116 8.053 -8.336 -11.001 911 HA ASP 116 HA ASP 116 10.517 -7.708 -9.696 912 HB2 ASP 116 HB2 ASP 116 8.260 -6.038 -10.797 913 HB3 ASP 116 HB1 ASP 116 9.629 -5.311 -9.961 914 H SER 117 HN SER 117 7.104 -7.266 -8.915 915 HA SER 117 HA SER 117 7.335 -5.974 -6.456 916 HB2 SER 117 HB2 SER 117 5.287 -8.080 -6.987 917 HB3 SER 117 HB1 SER 117 5.086 -6.563 -6.110 918 HG SER 117 HG SER 117 4.600 -7.042 -8.672 919 H LYS 118 HN LYS 118 7.435 -9.382 -7.313 920 HA LYS 118 HA LYS 118 7.335 -10.518 -4.770 921 HB2 LYS 118 HB2 LYS 118 8.030 -11.367 -7.439 922 HB3 LYS 118 HB1 LYS 118 9.171 -12.043 -6.286 923 HG2 LYS 118 HG2 LYS 118 7.629 -13.390 -5.335 924 HG3 LYS 118 HG1 LYS 118 6.314 -12.237 -5.571 925 HD2 LYS 118 HD2 LYS 118 6.814 -12.855 -8.129 926 HD3 LYS 118 HD1 LYS 118 7.332 -14.359 -7.367 927 HE2 LYS 118 HE2 LYS 118 5.013 -13.995 -6.081 928 HE3 LYS 118 HE1 LYS 118 4.632 -13.167 -7.589 929 HZ1 LYS 118 HZ1 LYS 118 4.060 -15.574 -7.543 930 HZ2 LYS 118 HZ2 LYS 118 5.713 -15.927 -7.468 931 HZ3 LYS 118 HZ3 LYS 118 5.080 -15.130 -8.819 932 H LEU 119 HN LEU 119 9.802 -8.827 -6.465 933 HA LEU 119 HA LEU 119 12.036 -9.631 -4.898 934 HB2 LEU 119 HB2 LEU 119 12.047 -8.452 -7.163 935 HB3 LEU 119 HB1 LEU 119 11.739 -6.970 -6.277 936 HG LEU 119 HG LEU 119 13.894 -7.819 -4.927 937 HD11 LEU 119 HD11 LEU 119 14.371 -8.797 -7.736 938 HD12 LEU 119 HD12 LEU 119 14.083 -9.843 -6.345 939 HD13 LEU 119 HD13 LEU 119 15.515 -8.814 -6.393 940 HD21 LEU 119 HD21 LEU 119 13.946 -6.336 -7.552 941 HD22 LEU 119 HD22 LEU 119 15.213 -6.306 -6.325 942 HD23 LEU 119 HD23 LEU 119 13.621 -5.634 -5.967 943 H ARG 120 HN ARG 120 9.895 -6.802 -4.760 944 HA ARG 120 HA ARG 120 11.101 -5.711 -2.418 945 HB2 ARG 120 HB2 ARG 120 9.880 -4.296 -3.991 946 HB3 ARG 120 HB1 ARG 120 8.401 -5.191 -3.678 947 HG2 ARG 120 HG2 ARG 120 8.705 -4.456 -1.240 948 HG3 ARG 120 HG1 ARG 120 9.853 -3.282 -1.888 949 HD2 ARG 120 HD2 ARG 120 8.118 -2.387 -3.354 950 HD3 ARG 120 HD1 ARG 120 6.972 -3.571 -2.730 951 HE ARG 120 HE ARG 120 7.784 -1.123 -1.478 952 HH11 ARG 120 HH11 ARG 120 6.555 -4.338 -0.901 953 HH12 ARG 120 HH12 ARG 120 5.827 -3.922 0.614 954 HH21 ARG 120 HH21 ARG 120 6.825 -0.574 0.514 955 HH22 ARG 120 HH22 ARG 120 5.979 -1.786 1.417 956 H CYS 121 HN CYS 121 8.396 -7.846 -3.058 957 HA CYS 121 HA CYS 121 7.200 -7.814 -0.526 958 HB2 CYS 121 HB2 CYS 121 7.256 -9.808 -2.768 959 HB3 CYS 121 HB1 CYS 121 6.471 -10.208 -1.245 960 HG CYS 121 HG CYS 121 5.488 -8.031 -3.222 961 H VAL 122 HN VAL 122 9.972 -9.565 -1.763 962 HA VAL 122 HA VAL 122 10.213 -11.478 0.283 963 HB VAL 122 HB VAL 122 12.425 -10.216 -1.347 964 HG11 VAL 122 HG11 VAL 122 12.883 -12.946 -0.576 965 HG12 VAL 122 HG12 VAL 122 12.592 -11.953 0.851 966 HG13 VAL 122 HG13 VAL 122 13.874 -11.518 -0.278 967 HG21 VAL 122 HG21 VAL 122 11.677 -11.366 -3.093 968 HG22 VAL 122 HG22 VAL 122 10.284 -11.884 -2.143 969 HG23 VAL 122 HG23 VAL 122 11.750 -12.864 -2.167 970 H PHE 123 HN PHE 123 11.580 -8.216 -0.029 971 HA PHE 123 HA PHE 123 13.146 -8.235 2.283 972 HB2 PHE 123 HB2 PHE 123 11.915 -6.108 0.595 973 HB3 PHE 123 HB1 PHE 123 12.554 -5.649 2.169 974 HD1 PHE 123 HD1 PHE 123 13.389 -6.931 -1.158 975 HD2 PHE 123 HD2 PHE 123 14.911 -5.669 2.610 976 HE1 PHE 123 HE1 PHE 123 15.655 -6.823 -2.114 977 HE2 PHE 123 HE2 PHE 123 17.179 -5.558 1.663 978 HZ PHE 123 HZ PHE 123 17.553 -6.136 -0.703 979 H GLU 124 HN GLU 124 9.716 -7.666 1.838 980 HA GLU 124 HA GLU 124 9.124 -6.514 4.319 981 HB2 GLU 124 HB2 GLU 124 7.597 -7.951 2.225 982 HB3 GLU 124 HB1 GLU 124 6.859 -7.888 3.819 983 HG2 GLU 124 HG2 GLU 124 6.842 -5.513 3.808 984 HG3 GLU 124 HG1 GLU 124 7.842 -5.454 2.356 985 H LEU 125 HN LEU 125 9.013 -9.935 3.329 986 HA LEU 125 HA LEU 125 8.477 -10.824 6.010 987 HB2 LEU 125 HB2 LEU 125 8.766 -12.062 3.346 988 HB3 LEU 125 HB1 LEU 125 9.228 -13.075 4.699 989 HG LEU 125 HG LEU 125 6.858 -12.232 5.616 990 HD11 LEU 125 HD11 LEU 125 6.272 -10.844 3.770 991 HD12 LEU 125 HD12 LEU 125 5.259 -12.287 3.696 992 HD13 LEU 125 HD13 LEU 125 6.644 -12.124 2.616 993 HD21 LEU 125 HD21 LEU 125 5.991 -14.326 4.191 994 HD22 LEU 125 HD22 LEU 125 7.024 -14.489 5.610 995 HD23 LEU 125 HD23 LEU 125 7.730 -14.545 3.995 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -13.729 8.934 -2.275 2 H2 MET 1 HT2 MET 1 -14.207 8.196 -0.801 3 H3 MET 1 HT3 MET 1 -12.559 8.598 -1.067 4 HA MET 1 HA MET 1 -14.844 10.356 -0.556 5 HB2 MET 1 HB2 MET 1 -13.511 9.416 1.312 6 HB3 MET 1 HB1 MET 1 -12.063 10.129 0.615 7 HG2 MET 1 HG2 MET 1 -13.883 12.229 0.827 8 HG3 MET 1 HG1 MET 1 -14.055 11.310 2.320 9 HE1 MET 1 HE1 MET 1 -11.798 11.029 4.146 10 HE2 MET 1 HE2 MET 1 -13.144 12.168 4.150 11 HE3 MET 1 HE3 MET 1 -11.501 12.743 4.432 12 H ALA 2 HN ALA 2 -11.664 10.137 -2.051 13 HA ALA 2 HA ALA 2 -11.710 12.977 -2.717 14 HB1 ALA 2 HB1 ALA 2 -9.436 12.435 -3.718 15 HB2 ALA 2 HB2 ALA 2 -9.612 10.842 -2.979 16 HB3 ALA 2 HB3 ALA 2 -9.591 12.287 -1.968 17 H LYS 3 HN LYS 3 -10.497 10.352 -4.758 18 HA LYS 3 HA LYS 3 -12.361 11.237 -6.864 19 HB2 LYS 3 HB2 LYS 3 -10.587 10.701 -8.504 20 HB3 LYS 3 HB1 LYS 3 -10.128 11.993 -7.403 21 HG2 LYS 3 HG2 LYS 3 -9.136 9.865 -6.080 22 HG3 LYS 3 HG1 LYS 3 -8.989 9.304 -7.746 23 HD2 LYS 3 HD2 LYS 3 -7.703 11.256 -8.340 24 HD3 LYS 3 HD1 LYS 3 -7.959 11.955 -6.739 25 HE2 LYS 3 HE2 LYS 3 -5.819 11.064 -6.587 26 HE3 LYS 3 HE1 LYS 3 -6.827 9.810 -5.867 27 HZ1 LYS 3 HZ1 LYS 3 -5.568 9.835 -8.541 28 HZ2 LYS 3 HZ2 LYS 3 -6.847 8.791 -8.175 29 HZ3 LYS 3 HZ3 LYS 3 -5.398 8.688 -7.309 30 H VAL 4 HN VAL 4 -13.713 9.489 -5.930 31 HA VAL 4 HA VAL 4 -13.038 6.811 -5.862 32 HB VAL 4 HB VAL 4 -15.504 6.363 -6.300 33 HG11 VAL 4 HG11 VAL 4 -16.003 6.770 -4.099 34 HG12 VAL 4 HG12 VAL 4 -15.206 8.343 -4.093 35 HG13 VAL 4 HG13 VAL 4 -14.243 6.865 -4.065 36 HG21 VAL 4 HG21 VAL 4 -16.915 8.470 -5.943 37 HG22 VAL 4 HG22 VAL 4 -16.254 8.194 -7.552 38 HG23 VAL 4 HG23 VAL 4 -15.492 9.363 -6.473 39 H GLU 5 HN GLU 5 -13.703 8.802 -8.650 40 HA GLU 5 HA GLU 5 -14.190 6.624 -10.443 41 HB2 GLU 5 HB2 GLU 5 -14.721 9.223 -10.641 42 HB3 GLU 5 HB1 GLU 5 -13.149 9.240 -11.431 43 HG2 GLU 5 HG2 GLU 5 -13.927 7.607 -13.052 44 HG3 GLU 5 HG1 GLU 5 -15.491 7.530 -12.243 45 H GLN 6 HN GLN 6 -11.412 8.752 -9.810 46 HA GLN 6 HA GLN 6 -9.646 7.374 -11.573 47 HB2 GLN 6 HB2 GLN 6 -9.458 9.565 -9.602 48 HB3 GLN 6 HB1 GLN 6 -7.984 8.632 -9.807 49 HG2 GLN 6 HG2 GLN 6 -8.597 9.061 -12.380 50 HG3 GLN 6 HG1 GLN 6 -9.333 10.491 -11.658 51 HE21 GLN 6 1HE2 GLN 6 -8.011 12.170 -11.878 52 HE22 GLN 6 2HE2 GLN 6 -6.299 12.151 -11.637 53 H VAL 7 HN VAL 7 -10.522 7.091 -8.210 54 HA VAL 7 HA VAL 7 -8.409 5.240 -7.560 55 HB VAL 7 HB VAL 7 -10.837 5.944 -5.915 56 HG11 VAL 7 HG11 VAL 7 -8.225 4.591 -5.301 57 HG12 VAL 7 HG12 VAL 7 -9.864 4.002 -5.016 58 HG13 VAL 7 HG13 VAL 7 -9.220 5.327 -4.045 59 HG21 VAL 7 HG21 VAL 7 -8.413 7.201 -5.033 60 HG22 VAL 7 HG22 VAL 7 -9.954 7.935 -5.474 61 HG23 VAL 7 HG23 VAL 7 -8.736 7.632 -6.712 62 H LEU 8 HN LEU 8 -11.578 4.965 -8.876 63 HA LEU 8 HA LEU 8 -12.446 2.543 -7.820 64 HB2 LEU 8 HB2 LEU 8 -13.060 4.188 -10.124 65 HB3 LEU 8 HB1 LEU 8 -13.197 2.485 -10.513 66 HG LEU 8 HG LEU 8 -14.515 3.442 -8.022 67 HD11 LEU 8 HD11 LEU 8 -15.541 5.083 -9.177 68 HD12 LEU 8 HD12 LEU 8 -16.531 3.752 -9.774 69 HD13 LEU 8 HD13 LEU 8 -15.185 4.354 -10.742 70 HD21 LEU 8 HD21 LEU 8 -14.954 1.233 -8.216 71 HD22 LEU 8 HD22 LEU 8 -14.748 1.232 -9.967 72 HD23 LEU 8 HD23 LEU 8 -16.252 1.818 -9.256 73 H SER 9 HN SER 9 -10.439 3.102 -10.703 74 HA SER 9 HA SER 9 -9.167 1.681 -11.968 75 HB2 SER 9 HB2 SER 9 -8.042 0.024 -9.982 76 HB3 SER 9 HB1 SER 9 -7.372 1.513 -10.645 77 HG SER 9 HG SER 9 -9.014 1.210 -8.347 78 H LEU 10 HN LEU 10 -11.954 0.621 -11.237 79 HA LEU 10 HA LEU 10 -11.522 -2.234 -11.133 80 HB2 LEU 10 HB2 LEU 10 -13.759 -0.451 -10.727 81 HB3 LEU 10 HB1 LEU 10 -14.196 -1.822 -11.731 82 HG LEU 10 HG LEU 10 -12.666 -2.495 -9.306 83 HD11 LEU 10 HD11 LEU 10 -14.451 -0.592 -8.819 84 HD12 LEU 10 HD12 LEU 10 -14.190 -1.942 -7.715 85 HD13 LEU 10 HD13 LEU 10 -15.546 -1.974 -8.842 86 HD21 LEU 10 HD21 LEU 10 -13.661 -4.107 -10.953 87 HD22 LEU 10 HD22 LEU 10 -15.251 -3.601 -10.380 88 HD23 LEU 10 HD23 LEU 10 -14.118 -4.374 -9.271 89 H GLU 11 HN GLU 11 -11.834 0.107 -13.633 90 HA GLU 11 HA GLU 11 -13.071 -1.505 -15.598 91 HB2 GLU 11 HB2 GLU 11 -11.988 1.098 -15.466 92 HB3 GLU 11 HB1 GLU 11 -11.138 0.284 -16.773 93 HG2 GLU 11 HG2 GLU 11 -13.368 -0.357 -17.707 94 HG3 GLU 11 HG1 GLU 11 -14.104 0.683 -16.488 95 HA PRO 12 HA PRO 12 -8.730 -3.023 -16.731 96 HB2 PRO 12 HB2 PRO 12 -6.547 -1.982 -15.605 97 HB3 PRO 12 HB1 PRO 12 -7.424 -1.091 -16.854 98 HG2 PRO 12 HG2 PRO 12 -7.342 -0.648 -13.921 99 HG3 PRO 12 HG1 PRO 12 -7.564 0.523 -15.231 100 HD2 PRO 12 HD2 PRO 12 -9.583 -0.671 -13.620 101 HD3 PRO 12 HD1 PRO 12 -9.815 0.384 -15.024 102 H GLN 13 HN GLN 13 -9.360 -4.962 -15.666 103 HA GLN 13 HA GLN 13 -9.120 -5.383 -12.905 104 HB2 GLN 13 HB2 GLN 13 -10.453 -6.763 -14.547 105 HB3 GLN 13 HB1 GLN 13 -8.943 -7.517 -15.039 106 HG2 GLN 13 HG2 GLN 13 -8.947 -8.886 -13.293 107 HG3 GLN 13 HG1 GLN 13 -9.287 -7.572 -12.166 108 HE21 GLN 13 1HE2 GLN 13 -10.606 -9.159 -11.073 109 HE22 GLN 13 2HE2 GLN 13 -12.219 -9.450 -11.621 110 H HIS 14 HN HIS 14 -6.724 -5.261 -15.365 111 HA HIS 14 HA HIS 14 -4.750 -6.380 -13.487 112 HB2 HIS 14 HB2 HIS 14 -5.424 -7.425 -15.988 113 HB3 HIS 14 HB1 HIS 14 -3.916 -6.561 -16.265 114 HD1 HIS 14 HD1 HIS 14 -5.234 -9.701 -15.004 115 HD2 HIS 14 HD2 HIS 14 -1.772 -7.465 -14.471 116 HE1 HIS 14 HE1 HIS 14 -3.561 -11.284 -13.996 117 HE2 HIS 14 HE2 HIS 14 -1.502 -9.885 -13.600 118 H GLU 15 HN GLU 15 -2.509 -5.754 -15.142 119 HA GLU 15 HA GLU 15 -1.094 -4.067 -15.731 120 HB2 GLU 15 HB2 GLU 15 -3.407 -2.140 -15.559 121 HB3 GLU 15 HB1 GLU 15 -1.909 -1.948 -16.456 122 HG2 GLU 15 HG2 GLU 15 -2.550 -3.512 -18.079 123 HG3 GLU 15 HG1 GLU 15 -3.855 -4.143 -17.076 124 H LEU 16 HN LEU 16 -0.136 -4.438 -13.665 125 HA LEU 16 HA LEU 16 0.532 -2.245 -12.206 126 HB2 LEU 16 HB2 LEU 16 -2.079 -3.288 -11.381 127 HB3 LEU 16 HB1 LEU 16 -0.939 -3.131 -10.057 128 HG LEU 16 HG LEU 16 -1.052 -0.770 -11.789 129 HD11 LEU 16 HD11 LEU 16 -3.290 -0.788 -12.014 130 HD12 LEU 16 HD12 LEU 16 -3.264 -0.227 -10.342 131 HD13 LEU 16 HD13 LEU 16 -3.522 -1.936 -10.696 132 HD21 LEU 16 HD21 LEU 16 0.122 -0.432 -9.841 133 HD22 LEU 16 HD22 LEU 16 -0.974 -1.425 -8.880 134 HD23 LEU 16 HD23 LEU 16 -1.467 0.190 -9.392 135 H LYS 17 HN LYS 17 -0.655 -5.023 -10.423 136 HA LYS 17 HA LYS 17 2.109 -5.994 -10.168 137 HB2 LYS 17 HB2 LYS 17 -0.074 -5.996 -8.077 138 HB3 LYS 17 HB1 LYS 17 1.504 -6.745 -7.884 139 HG2 LYS 17 HG2 LYS 17 2.280 -4.831 -7.099 140 HG3 LYS 17 HG1 LYS 17 1.981 -4.090 -8.672 141 HD2 LYS 17 HD2 LYS 17 0.813 -2.736 -7.160 142 HD3 LYS 17 HD1 LYS 17 -0.428 -3.779 -7.859 143 HE2 LYS 17 HE2 LYS 17 0.881 -4.832 -5.445 144 HE3 LYS 17 HE1 LYS 17 -0.081 -3.374 -5.199 145 HZ1 LYS 17 HZ1 LYS 17 -1.755 -4.804 -6.676 146 HZ2 LYS 17 HZ2 LYS 17 -1.724 -4.881 -4.987 147 HZ3 LYS 17 HZ3 LYS 17 -0.933 -6.064 -5.901 148 H PHE 18 HN PHE 18 -1.310 -6.855 -10.267 149 HA PHE 18 HA PHE 18 -0.958 -9.161 -11.798 150 HB2 PHE 18 HB2 PHE 18 -0.029 -9.716 -9.330 151 HB3 PHE 18 HB1 PHE 18 -1.731 -10.093 -9.087 152 HD1 PHE 18 HD1 PHE 18 0.934 -10.717 -11.629 153 HD2 PHE 18 HD2 PHE 18 -2.365 -12.263 -9.428 154 HE1 PHE 18 HE1 PHE 18 1.276 -12.920 -12.669 155 HE2 PHE 18 HE2 PHE 18 -2.027 -14.469 -10.465 156 HZ PHE 18 HZ PHE 18 -0.205 -14.800 -12.088 157 H ARG 19 HN ARG 19 -3.051 -10.742 -11.165 158 HA ARG 19 HA ARG 19 -5.284 -9.203 -11.925 159 HB2 ARG 19 HB2 ARG 19 -6.568 -11.249 -11.673 160 HB3 ARG 19 HB1 ARG 19 -5.028 -11.605 -12.439 161 HG2 ARG 19 HG2 ARG 19 -4.150 -12.470 -10.362 162 HG3 ARG 19 HG1 ARG 19 -5.636 -12.027 -9.521 163 HD2 ARG 19 HD2 ARG 19 -5.750 -14.358 -9.993 164 HD3 ARG 19 HD1 ARG 19 -6.870 -13.545 -11.084 165 HE ARG 19 HE ARG 19 -4.418 -14.922 -11.796 166 HH11 ARG 19 HH11 ARG 19 -6.981 -12.779 -12.824 167 HH12 ARG 19 HH12 ARG 19 -6.691 -13.044 -14.509 168 HH21 ARG 19 HH21 ARG 19 -4.045 -15.270 -14.013 169 HH22 ARG 19 HH22 ARG 19 -5.029 -14.457 -15.185 170 H GLY 20 HN GLY 20 -7.175 -10.663 -9.967 171 HA2 GLY 20 HA2 GLY 20 -6.976 -8.557 -7.927 172 HA3 GLY 20 HA1 GLY 20 -8.398 -9.526 -8.258 173 HA PRO 21 HA PRO 21 -5.092 -11.560 -5.112 174 HB2 PRO 21 HB2 PRO 21 -6.004 -9.475 -3.193 175 HB3 PRO 21 HB1 PRO 21 -4.433 -10.269 -3.321 176 HG2 PRO 21 HG2 PRO 21 -4.789 -7.758 -4.174 177 HG3 PRO 21 HG1 PRO 21 -3.717 -8.884 -5.025 178 HD2 PRO 21 HD2 PRO 21 -6.419 -7.903 -5.783 179 HD3 PRO 21 HD1 PRO 21 -5.063 -8.396 -6.816 180 H PHE 22 HN PHE 22 -5.964 -12.912 -3.418 181 HA PHE 22 HA PHE 22 -8.749 -13.412 -3.763 182 HB2 PHE 22 HB2 PHE 22 -6.575 -14.851 -2.798 183 HB3 PHE 22 HB1 PHE 22 -7.608 -14.651 -1.387 184 HD1 PHE 22 HD2 PHE 22 -9.854 -15.602 -1.347 185 HD2 PHE 22 HD1 PHE 22 -7.248 -16.202 -4.657 186 HE1 PHE 22 HE2 PHE 22 -11.284 -17.444 -2.132 187 HE2 PHE 22 HE1 PHE 22 -8.673 -18.046 -5.449 188 HZ PHE 22 HZ PHE 22 -10.693 -18.669 -4.185 189 H THR 23 HN THR 23 -6.921 -12.493 -0.866 190 HA THR 23 HA THR 23 -9.251 -11.819 0.633 191 HB THR 23 HB THR 23 -7.634 -10.950 2.299 192 HG1 THR 23 HG1 THR 23 -5.946 -10.172 1.223 193 HG21 THR 23 HG21 THR 23 -6.771 -12.976 2.978 194 HG22 THR 23 HG22 THR 23 -6.496 -13.531 1.327 195 HG23 THR 23 HG23 THR 23 -8.136 -13.461 1.972 196 H ASP 24 HN ASP 24 -6.661 -9.926 -0.813 197 HA ASP 24 HA ASP 24 -7.527 -7.399 -0.063 198 HB2 ASP 24 HB2 ASP 24 -6.093 -7.739 -2.654 199 HB3 ASP 24 HB1 ASP 24 -5.843 -6.556 -1.377 200 H VAL 25 HN VAL 25 -8.157 -9.071 -3.192 201 HA VAL 25 HA VAL 25 -9.474 -6.932 -4.355 202 HB VAL 25 HB VAL 25 -8.843 -9.193 -5.422 203 HG11 VAL 25 HG11 VAL 25 -10.595 -10.840 -5.603 204 HG12 VAL 25 HG12 VAL 25 -11.669 -9.859 -4.605 205 HG13 VAL 25 HG13 VAL 25 -10.224 -10.579 -3.898 206 HG21 VAL 25 HG21 VAL 25 -11.536 -8.270 -6.305 207 HG22 VAL 25 HG22 VAL 25 -10.111 -8.669 -7.264 208 HG23 VAL 25 HG23 VAL 25 -10.171 -7.154 -6.364 209 H VAL 26 HN VAL 26 -10.853 -9.564 -2.381 210 HA VAL 26 HA VAL 26 -13.440 -8.456 -2.518 211 HB VAL 26 HB VAL 26 -12.450 -10.409 -0.483 212 HG11 VAL 26 HG11 VAL 26 -14.570 -10.679 0.193 213 HG12 VAL 26 HG12 VAL 26 -15.195 -10.651 -1.456 214 HG13 VAL 26 HG13 VAL 26 -14.872 -9.138 -0.611 215 HG21 VAL 26 HG21 VAL 26 -11.947 -11.591 -2.365 216 HG22 VAL 26 HG22 VAL 26 -13.145 -10.749 -3.348 217 HG23 VAL 26 HG23 VAL 26 -13.654 -12.008 -2.224 218 H THR 27 HN THR 27 -11.152 -8.526 0.182 219 HA THR 27 HA THR 27 -12.871 -6.938 1.784 220 HB THR 27 HB THR 27 -10.891 -6.669 3.252 221 HG1 THR 27 HG1 THR 27 -8.958 -7.093 2.555 222 HG21 THR 27 HG21 THR 27 -11.310 -8.654 4.117 223 HG22 THR 27 HG22 THR 27 -10.469 -9.456 2.789 224 HG23 THR 27 HG23 THR 27 -12.185 -9.076 2.646 225 H THR 28 HN THR 28 -9.950 -6.237 -0.037 226 HA THR 28 HA THR 28 -10.046 -3.424 0.545 227 HB THR 28 HB THR 28 -8.392 -4.461 -1.699 228 HG1 THR 28 HG1 THR 28 -6.908 -5.279 -0.165 229 HG21 THR 28 HG21 THR 28 -6.715 -3.136 -0.099 230 HG22 THR 28 HG22 THR 28 -8.224 -2.328 0.323 231 HG23 THR 28 HG23 THR 28 -7.679 -2.358 -1.353 232 H ASN 29 HN ASN 29 -10.441 -5.243 -2.463 233 HA ASN 29 HA ASN 29 -11.149 -2.957 -3.973 234 HB2 ASN 29 HB2 ASN 29 -10.330 -5.498 -4.588 235 HB3 ASN 29 HB1 ASN 29 -11.997 -5.482 -5.149 236 HD21 ASN 29 1HE2 ASN 29 -12.548 -4.275 -6.898 237 HD22 ASN 29 2HE2 ASN 29 -11.405 -3.422 -7.871 238 H LEU 30 HN LEU 30 -13.129 -5.311 -2.248 239 HA LEU 30 HA LEU 30 -15.474 -4.890 -3.726 240 HB2 LEU 30 HB2 LEU 30 -16.665 -5.990 -2.128 241 HB3 LEU 30 HB1 LEU 30 -15.049 -6.547 -1.778 242 HG LEU 30 HG LEU 30 -15.025 -4.641 -0.003 243 HD11 LEU 30 HD11 LEU 30 -16.900 -3.506 0.419 244 HD12 LEU 30 HD12 LEU 30 -17.871 -4.976 0.421 245 HD13 LEU 30 HD13 LEU 30 -17.530 -4.151 -1.098 246 HD21 LEU 30 HD21 LEU 30 -16.732 -6.349 1.328 247 HD22 LEU 30 HD22 LEU 30 -14.987 -6.541 1.165 248 HD23 LEU 30 HD23 LEU 30 -16.072 -7.352 0.036 249 H LYS 31 HN LYS 31 -14.507 -3.095 -0.781 250 HA LYS 31 HA LYS 31 -16.581 -1.158 -1.433 251 HB2 LYS 31 HB2 LYS 31 -15.611 -2.247 0.994 252 HB3 LYS 31 HB1 LYS 31 -15.163 -0.556 1.005 253 HG2 LYS 31 HG2 LYS 31 -17.927 -1.684 0.662 254 HG3 LYS 31 HG1 LYS 31 -17.296 -0.819 2.064 255 HD2 LYS 31 HD2 LYS 31 -17.224 0.519 -0.600 256 HD3 LYS 31 HD1 LYS 31 -18.764 0.407 0.252 257 HE2 LYS 31 HE2 LYS 31 -18.049 1.738 1.994 258 HE3 LYS 31 HE1 LYS 31 -16.347 1.379 1.707 259 HZ1 LYS 31 HZ1 LYS 31 -17.958 2.931 -0.226 260 HZ2 LYS 31 HZ2 LYS 31 -16.275 2.842 -0.095 261 HZ3 LYS 31 HZ3 LYS 31 -17.170 3.675 1.073 262 H LEU 32 HN LEU 32 -14.561 0.499 0.349 263 HA LEU 32 HA LEU 32 -12.310 1.121 -1.138 264 HB2 LEU 32 HB2 LEU 32 -14.505 1.987 -2.514 265 HB3 LEU 32 HB1 LEU 32 -14.120 3.409 -1.566 266 HG LEU 32 HG LEU 32 -12.354 2.026 -3.593 267 HD11 LEU 32 HD11 LEU 32 -13.731 4.688 -3.430 268 HD12 LEU 32 HD12 LEU 32 -13.838 3.463 -4.693 269 HD13 LEU 32 HD13 LEU 32 -12.360 4.407 -4.504 270 HD21 LEU 32 HD21 LEU 32 -10.721 2.602 -2.115 271 HD22 LEU 32 HD22 LEU 32 -11.681 3.884 -1.375 272 HD23 LEU 32 HD23 LEU 32 -10.907 4.151 -2.937 273 H GLY 33 HN GLY 33 -12.333 0.781 1.379 274 HA2 GLY 33 HA2 GLY 33 -11.255 2.858 2.686 275 HA3 GLY 33 HA1 GLY 33 -12.973 3.178 2.879 276 H ASN 34 HN ASN 34 -14.203 0.982 3.514 277 HA ASN 34 HA ASN 34 -14.572 -0.611 5.088 278 HB2 ASN 34 HB2 ASN 34 -12.113 -1.260 4.140 279 HB3 ASN 34 HB1 ASN 34 -11.736 -0.978 5.837 280 HD21 ASN 34 1HE2 ASN 34 -13.096 -3.097 3.561 281 HD22 ASN 34 2HE2 ASN 34 -13.629 -4.317 4.662 282 HA PRO 35 HA PRO 35 -13.973 2.583 8.351 283 HB2 PRO 35 HB2 PRO 35 -16.558 2.693 9.119 284 HB3 PRO 35 HB1 PRO 35 -15.946 3.596 7.728 285 HG2 PRO 35 HG2 PRO 35 -17.440 1.003 7.795 286 HG3 PRO 35 HG1 PRO 35 -17.655 2.390 6.711 287 HD2 PRO 35 HD2 PRO 35 -16.284 0.147 6.004 288 HD3 PRO 35 HD1 PRO 35 -15.912 1.756 5.353 289 H THR 36 HN THR 36 -13.057 0.100 8.867 290 HA THR 36 HA THR 36 -14.534 -1.472 10.654 291 HB THR 36 HB THR 36 -11.565 -1.222 10.950 292 HG1 THR 36 HG1 THR 36 -11.352 -2.522 9.066 293 HG21 THR 36 HG21 THR 36 -12.171 -3.010 12.197 294 HG22 THR 36 HG22 THR 36 -11.984 -3.813 10.638 295 HG23 THR 36 HG23 THR 36 -13.589 -3.362 11.210 296 H ASP 37 HN ASP 37 -11.763 0.586 11.558 297 HA ASP 37 HA ASP 37 -13.314 1.558 13.848 298 HB2 ASP 37 HB2 ASP 37 -10.593 0.259 13.997 299 HB3 ASP 37 HB1 ASP 37 -11.250 1.262 15.286 300 H ARG 38 HN ARG 38 -11.806 2.435 11.175 301 HA ARG 38 HA ARG 38 -10.020 4.466 12.095 302 HB2 ARG 38 HB2 ARG 38 -10.279 3.211 9.744 303 HB3 ARG 38 HB1 ARG 38 -11.223 4.651 9.385 304 HG2 ARG 38 HG2 ARG 38 -9.088 5.840 10.420 305 HG3 ARG 38 HG1 ARG 38 -8.316 4.353 9.866 306 HD2 ARG 38 HD2 ARG 38 -9.859 6.356 8.231 307 HD3 ARG 38 HD1 ARG 38 -8.149 5.946 8.103 308 HE ARG 38 HE ARG 38 -9.864 3.700 7.648 309 HH11 ARG 38 HH11 ARG 38 -8.437 6.515 6.157 310 HH12 ARG 38 HH12 ARG 38 -8.517 5.860 4.555 311 HH21 ARG 38 HH21 ARG 38 -9.969 2.839 5.542 312 HH22 ARG 38 HH22 ARG 38 -9.386 3.774 4.207 313 H ASN 39 HN ASN 39 -10.442 6.476 12.694 314 HA ASN 39 HA ASN 39 -13.094 7.605 12.088 315 HB2 ASN 39 HB2 ASN 39 -12.292 6.900 14.585 316 HB3 ASN 39 HB1 ASN 39 -11.722 8.566 14.527 317 HD21 ASN 39 1HE2 ASN 39 -13.970 7.107 15.944 318 HD22 ASN 39 2HE2 ASN 39 -15.358 8.090 15.643 319 H VAL 40 HN VAL 40 -12.602 10.152 13.181 320 HA VAL 40 HA VAL 40 -10.865 11.234 11.108 321 HB VAL 40 HB VAL 40 -11.778 13.440 11.832 322 HG11 VAL 40 HG11 VAL 40 -14.205 11.842 11.362 323 HG12 VAL 40 HG12 VAL 40 -12.888 11.581 10.219 324 HG13 VAL 40 HG13 VAL 40 -13.544 13.202 10.453 325 HG21 VAL 40 HG21 VAL 40 -13.944 12.156 13.364 326 HG22 VAL 40 HG22 VAL 40 -13.152 13.714 13.602 327 HG23 VAL 40 HG23 VAL 40 -12.376 12.234 14.168 328 H CYS 41 HN CYS 41 -9.460 13.110 11.676 329 HA CYS 41 HA CYS 41 -7.669 13.981 12.768 330 HB2 CYS 41 HB2 CYS 41 -9.464 13.246 15.057 331 HB3 CYS 41 HB1 CYS 41 -7.848 13.870 15.367 332 HG CYS 41 HG CYS 41 -10.207 15.543 14.742 333 H PHE 42 HN PHE 42 -5.939 13.402 14.525 334 HA PHE 42 HA PHE 42 -4.262 12.026 15.167 335 HB2 PHE 42 HB2 PHE 42 -6.616 10.165 15.243 336 HB3 PHE 42 HB1 PHE 42 -4.997 9.556 15.575 337 HD1 PHE 42 HD2 PHE 42 -3.768 11.707 17.073 338 HD2 PHE 42 HD1 PHE 42 -7.742 10.196 17.254 339 HE1 PHE 42 HE2 PHE 42 -3.949 12.475 19.403 340 HE2 PHE 42 HE1 PHE 42 -7.932 10.963 19.585 341 HZ PHE 42 HZ PHE 42 -6.033 12.103 20.662 342 H LYS 43 HN LYS 43 -4.632 8.999 14.090 343 HA LYS 43 HA LYS 43 -3.619 7.793 12.474 344 HB2 LYS 43 HB2 LYS 43 -4.386 8.161 10.270 345 HB3 LYS 43 HB1 LYS 43 -5.693 8.616 11.343 346 HG2 LYS 43 HG2 LYS 43 -5.546 10.835 10.824 347 HG3 LYS 43 HG1 LYS 43 -3.836 10.741 10.406 348 HD2 LYS 43 HD2 LYS 43 -4.593 9.315 8.415 349 HD3 LYS 43 HD1 LYS 43 -6.216 9.908 8.774 350 HE2 LYS 43 HE2 LYS 43 -3.797 11.601 8.154 351 HE3 LYS 43 HE1 LYS 43 -5.143 11.275 7.062 352 HZ1 LYS 43 HZ1 LYS 43 -6.592 12.538 8.366 353 HZ2 LYS 43 HZ2 LYS 43 -5.174 13.459 8.318 354 HZ3 LYS 43 HZ3 LYS 43 -5.548 12.555 9.699 355 H VAL 44 HN VAL 44 -1.970 7.790 10.639 356 HA VAL 44 HA VAL 44 0.078 8.345 9.840 357 HB VAL 44 HB VAL 44 0.643 10.525 9.280 358 HG11 VAL 44 HG11 VAL 44 -1.609 11.709 8.798 359 HG12 VAL 44 HG12 VAL 44 -2.319 10.221 9.419 360 HG13 VAL 44 HG13 VAL 44 -1.246 10.168 8.022 361 HG21 VAL 44 HG21 VAL 44 -1.151 12.100 10.952 362 HG22 VAL 44 HG22 VAL 44 0.562 12.321 10.604 363 HG23 VAL 44 HG23 VAL 44 0.060 11.218 11.880 364 H LYS 45 HN LYS 45 -0.545 7.812 12.744 365 HA LYS 45 HA LYS 45 1.385 9.236 14.283 366 HB2 LYS 45 HB2 LYS 45 -0.579 7.185 14.730 367 HB3 LYS 45 HB1 LYS 45 0.927 6.754 15.530 368 HG2 LYS 45 HG2 LYS 45 -0.187 9.504 15.853 369 HG3 LYS 45 HG1 LYS 45 -0.857 8.165 16.783 370 HD2 LYS 45 HD2 LYS 45 2.049 8.972 16.731 371 HD3 LYS 45 HD1 LYS 45 0.902 9.363 18.013 372 HE2 LYS 45 HE2 LYS 45 0.526 6.784 18.079 373 HE3 LYS 45 HE1 LYS 45 2.094 6.724 17.273 374 HZ1 LYS 45 HZ1 LYS 45 1.622 8.170 19.819 375 HZ2 LYS 45 HZ2 LYS 45 3.110 7.826 19.092 376 HZ3 LYS 45 HZ3 LYS 45 2.178 6.574 19.742 377 H THR 46 HN THR 46 2.892 7.563 15.674 378 HA THR 46 HA THR 46 4.798 6.574 13.688 379 HB THR 46 HB THR 46 6.199 6.394 15.936 380 HG1 THR 46 HG1 THR 46 4.368 6.988 17.225 381 HG21 THR 46 HG21 THR 46 5.643 9.147 14.894 382 HG22 THR 46 HG22 THR 46 6.586 7.963 13.989 383 HG23 THR 46 HG23 THR 46 7.138 8.505 15.574 384 H THR 47 HN THR 47 2.407 5.060 14.363 385 HA THR 47 HA THR 47 3.462 2.803 15.893 386 HB THR 47 HB THR 47 1.290 3.392 16.601 387 HG1 THR 47 HG1 THR 47 0.880 1.295 14.744 388 HG21 THR 47 HG21 THR 47 0.622 3.616 13.698 389 HG22 THR 47 HG22 THR 47 0.379 4.787 14.995 390 HG23 THR 47 HG23 THR 47 -0.632 3.345 14.908 391 H ALA 48 HN ALA 48 4.477 1.253 14.833 392 HA ALA 48 HA ALA 48 3.351 -0.100 12.629 393 HB1 ALA 48 HB1 ALA 48 4.105 1.948 11.455 394 HB2 ALA 48 HB2 ALA 48 4.886 0.480 10.867 395 HB3 ALA 48 HB3 ALA 48 5.760 1.576 11.937 396 HA PRO 49 HA PRO 49 6.090 -3.063 14.501 397 HB2 PRO 49 HB2 PRO 49 5.855 -5.030 12.620 398 HB3 PRO 49 HB1 PRO 49 4.634 -4.712 13.856 399 HG2 PRO 49 HG2 PRO 49 4.699 -3.852 10.991 400 HG3 PRO 49 HG1 PRO 49 3.337 -4.471 11.944 401 HD2 PRO 49 HD2 PRO 49 3.655 -1.842 11.443 402 HD3 PRO 49 HD1 PRO 49 2.963 -2.433 12.968 403 H ARG 50 HN ARG 50 8.026 -4.377 13.893 404 HA ARG 50 HA ARG 50 9.989 -2.816 12.696 405 HB2 ARG 50 HB2 ARG 50 9.780 -5.590 13.664 406 HB3 ARG 50 HB1 ARG 50 11.019 -5.334 12.443 407 HG2 ARG 50 HG2 ARG 50 12.338 -4.176 13.837 408 HG3 ARG 50 HG1 ARG 50 10.980 -3.337 14.591 409 HD2 ARG 50 HD2 ARG 50 11.542 -6.242 15.108 410 HD3 ARG 50 HD1 ARG 50 12.323 -4.964 16.038 411 HE ARG 50 HE ARG 50 9.608 -4.441 16.109 412 HH11 ARG 50 HH11 ARG 50 11.751 -6.995 17.141 413 HH12 ARG 50 HH12 ARG 50 10.750 -7.466 18.473 414 HH21 ARG 50 HH21 ARG 50 8.290 -5.061 17.861 415 HH22 ARG 50 HH22 ARG 50 8.786 -6.369 18.883 416 H ARG 51 HN ARG 51 8.797 -5.907 11.370 417 HA ARG 51 HA ARG 51 8.674 -4.733 8.710 418 HB2 ARG 51 HB2 ARG 51 10.813 -6.501 9.609 419 HB3 ARG 51 HB1 ARG 51 9.974 -7.127 8.197 420 HG2 ARG 51 HG2 ARG 51 11.513 -5.878 7.122 421 HG3 ARG 51 HG1 ARG 51 10.319 -4.607 7.392 422 HD2 ARG 51 HD2 ARG 51 12.243 -3.591 8.143 423 HD3 ARG 51 HD1 ARG 51 11.599 -4.270 9.635 424 HE ARG 51 HE ARG 51 13.732 -5.561 8.058 425 HH11 ARG 51 HH11 ARG 51 12.343 -4.633 11.133 426 HH12 ARG 51 HH12 ARG 51 13.601 -5.375 12.058 427 HH21 ARG 51 HH21 ARG 51 15.380 -6.531 9.287 428 HH22 ARG 51 HH22 ARG 51 15.322 -6.446 11.015 429 H TYR 52 HN TYR 52 6.419 -5.123 9.018 430 HA TYR 52 HA TYR 52 5.670 -7.858 8.329 431 HB2 TYR 52 HB2 TYR 52 5.324 -6.841 10.932 432 HB3 TYR 52 HB1 TYR 52 3.728 -6.816 10.190 433 HD1 TYR 52 HD1 TYR 52 6.579 -8.996 11.074 434 HD2 TYR 52 HD2 TYR 52 2.522 -8.828 9.807 435 HE1 TYR 52 HE1 TYR 52 6.351 -11.405 11.508 436 HE2 TYR 52 HE2 TYR 52 2.281 -11.237 10.238 437 HH TYR 52 HH TYR 52 3.632 -13.214 10.455 438 H CYS 53 HN CYS 53 3.989 -4.876 9.313 439 HA CYS 53 HA CYS 53 3.222 -3.576 7.137 440 HB2 CYS 53 HB2 CYS 53 2.698 -5.667 5.864 441 HB3 CYS 53 HB1 CYS 53 1.424 -6.038 7.013 442 HG CYS 53 HG CYS 53 0.495 -4.865 4.705 443 H VAL 54 HN VAL 54 2.227 -1.951 8.072 444 HA VAL 54 HA VAL 54 1.186 -1.727 10.522 445 HB VAL 54 HB VAL 54 -0.112 -0.352 8.172 446 HG11 VAL 54 HG11 VAL 54 -1.078 1.049 9.639 447 HG12 VAL 54 HG12 VAL 54 0.341 1.094 10.684 448 HG13 VAL 54 HG13 VAL 54 -0.800 -0.246 10.803 449 HG21 VAL 54 HG21 VAL 54 1.851 1.296 9.345 450 HG22 VAL 54 HG22 VAL 54 1.842 0.603 7.724 451 HG23 VAL 54 HG23 VAL 54 2.611 -0.268 9.050 452 H ARG 55 HN ARG 55 -0.450 -2.449 11.678 453 HA ARG 55 HA ARG 55 -2.930 -3.260 10.363 454 HB2 ARG 55 HB2 ARG 55 -1.040 -5.132 11.141 455 HB3 ARG 55 HB1 ARG 55 -2.175 -5.117 12.483 456 HG2 ARG 55 HG2 ARG 55 -3.696 -5.147 10.104 457 HG3 ARG 55 HG1 ARG 55 -2.426 -6.360 9.935 458 HD2 ARG 55 HD2 ARG 55 -3.090 -7.404 12.008 459 HD3 ARG 55 HD1 ARG 55 -4.274 -6.132 12.307 460 HE ARG 55 HE ARG 55 -5.722 -7.218 10.918 461 HH11 ARG 55 HH11 ARG 55 -2.496 -8.394 10.294 462 HH12 ARG 55 HH12 ARG 55 -3.024 -9.636 9.210 463 HH21 ARG 55 HH21 ARG 55 -6.418 -8.851 9.490 464 HH22 ARG 55 HH22 ARG 55 -5.250 -9.895 8.751 465 H SER 56 HN SER 56 -2.228 -0.982 11.970 466 HA SER 56 HA SER 56 -3.140 0.285 13.617 467 HB2 SER 56 HB2 SER 56 -5.088 -1.998 13.938 468 HB3 SER 56 HB1 SER 56 -5.291 -0.362 14.569 469 HG SER 56 HG SER 56 -4.784 -0.023 12.061 470 H ASN 57 HN ASN 57 -1.083 -0.213 14.620 471 HA ASN 57 HA ASN 57 -1.094 -2.144 16.781 472 HB2 ASN 57 HB2 ASN 57 0.922 -0.572 15.352 473 HB3 ASN 57 HB1 ASN 57 1.221 -0.683 17.085 474 HD21 ASN 57 1HE2 ASN 57 0.652 -2.559 14.169 475 HD22 ASN 57 2HE2 ASN 57 1.463 -3.987 14.706 476 H SER 58 HN SER 58 -1.305 1.357 16.401 477 HA SER 58 HA SER 58 -1.119 1.805 19.256 478 HB2 SER 58 HB2 SER 58 -1.614 4.184 18.648 479 HB3 SER 58 HB1 SER 58 -0.212 3.508 17.820 480 HG SER 58 HG SER 58 -1.420 4.528 16.283 481 H GLY 59 HN GLY 59 -3.723 1.645 16.854 482 HA2 GLY 59 HA2 GLY 59 -5.667 0.986 18.730 483 HA3 GLY 59 HA1 GLY 59 -5.772 2.712 18.434 484 H ILE 60 HN ILE 60 -4.989 2.617 15.723 485 HA ILE 60 HA ILE 60 -5.726 1.465 13.674 486 HB ILE 60 HB ILE 60 -7.569 0.223 14.865 487 HG12 ILE 60 HG12 ILE 60 -7.327 0.429 12.358 488 HG13 ILE 60 HG11 ILE 60 -8.941 0.039 12.934 489 HG21 ILE 60 HG21 ILE 60 -8.432 2.752 15.578 490 HG22 ILE 60 HG22 ILE 60 -9.312 1.240 15.798 491 HG23 ILE 60 HG23 ILE 60 -9.599 2.225 14.367 492 HD11 ILE 60 HD11 ILE 60 -8.931 2.800 12.789 493 HD12 ILE 60 HD12 ILE 60 -9.655 1.682 11.634 494 HD13 ILE 60 HD13 ILE 60 -8.020 2.284 11.371 495 H ILE 61 HN ILE 61 -6.904 4.031 15.664 496 HA ILE 61 HA ILE 61 -7.750 5.691 13.462 497 HB ILE 61 HB ILE 61 -8.003 5.661 16.338 498 HG12 ILE 61 HG12 ILE 61 -9.451 7.523 14.475 499 HG13 ILE 61 HG11 ILE 61 -9.747 5.789 14.419 500 HG21 ILE 61 HG21 ILE 61 -7.125 8.273 15.127 501 HG22 ILE 61 HG22 ILE 61 -6.408 7.407 16.488 502 HG23 ILE 61 HG23 ILE 61 -7.998 8.151 16.654 503 HD11 ILE 61 HD11 ILE 61 -9.873 6.672 17.128 504 HD12 ILE 61 HD12 ILE 61 -11.133 5.945 16.132 505 HD13 ILE 61 HD13 ILE 61 -10.904 7.694 16.126 506 H ASP 62 HN ASP 62 -5.003 5.343 15.595 507 HA ASP 62 HA ASP 62 -3.657 7.664 14.529 508 HB2 ASP 62 HB2 ASP 62 -3.078 5.639 16.653 509 HB3 ASP 62 HB1 ASP 62 -1.759 6.606 16.009 510 H ALA 63 HN ALA 63 -3.620 4.178 14.230 511 HA ALA 63 HA ALA 63 -1.251 4.206 12.526 512 HB1 ALA 63 HB1 ALA 63 -2.679 2.237 14.045 513 HB2 ALA 63 HB2 ALA 63 -1.043 2.184 13.390 514 HB3 ALA 63 HB3 ALA 63 -2.406 1.669 12.398 515 H GLY 64 HN GLY 64 -4.608 4.525 12.024 516 HA2 GLY 64 HA2 GLY 64 -5.054 3.156 9.656 517 HA3 GLY 64 HA1 GLY 64 -5.911 4.604 10.142 518 H ALA 65 HN ALA 65 -3.152 6.073 9.946 519 HA ALA 65 HA ALA 65 -3.537 6.669 7.130 520 HB1 ALA 65 HB1 ALA 65 -2.633 8.693 7.503 521 HB2 ALA 65 HB2 ALA 65 -1.416 8.071 8.613 522 HB3 ALA 65 HB3 ALA 65 -3.069 8.315 9.165 523 H SER 66 HN SER 66 -2.012 4.211 8.314 524 HA SER 66 HA SER 66 0.522 4.603 6.902 525 HB2 SER 66 HB2 SER 66 -0.037 2.029 8.265 526 HB3 SER 66 HB1 SER 66 1.437 2.995 8.237 527 HG SER 66 HG SER 66 -0.675 3.044 10.001 528 H ILE 67 HN ILE 67 -2.487 3.736 6.027 529 HA ILE 67 HA ILE 67 -2.101 1.271 4.692 530 HB ILE 67 HB ILE 67 -4.128 1.811 3.417 531 HG12 ILE 67 HG12 ILE 67 -4.385 4.388 4.921 532 HG13 ILE 67 HG11 ILE 67 -3.468 4.355 3.419 533 HG21 ILE 67 HG21 ILE 67 -5.649 1.927 5.307 534 HG22 ILE 67 HG22 ILE 67 -4.343 2.506 6.342 535 HG23 ILE 67 HG23 ILE 67 -4.282 0.875 5.674 536 HD11 ILE 67 HD11 ILE 67 -6.276 4.510 3.793 537 HD12 ILE 67 HD12 ILE 67 -5.901 3.009 2.944 538 HD13 ILE 67 HD13 ILE 67 -5.352 4.553 2.291 539 H ASN 68 HN ASN 68 -1.496 4.590 3.704 540 HA ASN 68 HA ASN 68 0.485 4.391 1.990 541 HB2 ASN 68 HB2 ASN 68 -0.549 2.615 0.675 542 HB3 ASN 68 HB1 ASN 68 -1.963 3.619 0.369 543 HD21 ASN 68 1HE2 ASN 68 -0.645 2.507 -1.751 544 HD22 ASN 68 2HE2 ASN 68 0.210 3.728 -2.628 545 H VAL 69 HN VAL 69 -2.629 5.418 0.641 546 HA VAL 69 HA VAL 69 -1.621 8.109 0.348 547 HB VAL 69 HB VAL 69 -3.748 8.546 -0.830 548 HG11 VAL 69 HG11 VAL 69 -2.162 6.128 -1.673 549 HG12 VAL 69 HG12 VAL 69 -1.917 7.806 -2.158 550 HG13 VAL 69 HG13 VAL 69 -3.345 6.930 -2.708 551 HG21 VAL 69 HG21 VAL 69 -5.336 6.787 -1.235 552 HG22 VAL 69 HG22 VAL 69 -5.117 6.960 0.507 553 HG23 VAL 69 HG23 VAL 69 -4.342 5.629 -0.351 554 H SER 70 HN SER 70 -3.474 6.451 2.686 555 HA SER 70 HA SER 70 -5.317 8.347 3.510 556 HB2 SER 70 HB2 SER 70 -5.296 6.109 4.450 557 HB3 SER 70 HB1 SER 70 -3.730 6.406 5.203 558 HG SER 70 HG SER 70 -5.977 6.759 6.346 559 H VAL 71 HN VAL 71 -1.868 8.151 4.196 560 HA VAL 71 HA VAL 71 -1.827 10.223 6.141 561 HB VAL 71 HB VAL 71 -0.008 8.590 5.969 562 HG11 VAL 71 HG11 VAL 71 0.536 8.022 3.864 563 HG12 VAL 71 HG12 VAL 71 1.668 9.368 3.989 564 HG13 VAL 71 HG13 VAL 71 0.102 9.603 3.214 565 HG21 VAL 71 HG21 VAL 71 1.801 10.076 6.365 566 HG22 VAL 71 HG22 VAL 71 0.340 10.900 6.910 567 HG23 VAL 71 HG23 VAL 71 1.074 11.335 5.366 568 H MET 72 HN MET 72 -1.004 12.376 5.898 569 HA MET 72 HA MET 72 -1.409 13.458 3.187 570 HB2 MET 72 HB2 MET 72 -2.500 14.232 5.762 571 HB3 MET 72 HB1 MET 72 -1.681 15.580 4.984 572 HG2 MET 72 HG2 MET 72 -3.224 15.757 3.360 573 HG3 MET 72 HG1 MET 72 -3.474 14.016 3.256 574 HE1 MET 72 HE1 MET 72 -6.450 14.188 3.269 575 HE2 MET 72 HE2 MET 72 -6.624 13.374 4.824 576 HE3 MET 72 HE3 MET 72 -5.287 12.955 3.754 577 H LEU 73 HN LEU 73 -0.057 14.991 6.082 578 HA LEU 73 HA LEU 73 2.311 15.697 4.506 579 HB2 LEU 73 HB2 LEU 73 0.966 16.873 6.902 580 HB3 LEU 73 HB1 LEU 73 2.672 17.188 6.641 581 HG LEU 73 HG LEU 73 0.880 17.675 4.332 582 HD11 LEU 73 HD11 LEU 73 -0.092 18.572 6.662 583 HD12 LEU 73 HD12 LEU 73 -0.256 19.451 5.142 584 HD13 LEU 73 HD13 LEU 73 1.018 19.889 6.281 585 HD21 LEU 73 HD21 LEU 73 2.528 19.070 3.681 586 HD22 LEU 73 HD22 LEU 73 3.490 18.116 4.810 587 HD23 LEU 73 HD23 LEU 73 2.818 19.667 5.315 588 H GLN 74 HN GLN 74 4.368 15.918 5.898 589 HA GLN 74 HA GLN 74 6.052 14.870 7.011 590 HB2 GLN 74 HB2 GLN 74 3.777 13.850 8.721 591 HB3 GLN 74 HB1 GLN 74 5.481 13.749 9.141 592 HG2 GLN 74 HG2 GLN 74 5.185 15.680 10.194 593 HG3 GLN 74 HG1 GLN 74 5.142 16.418 8.594 594 HE21 GLN 74 1HE2 GLN 74 3.890 17.781 10.439 595 HE22 GLN 74 2HE2 GLN 74 2.174 17.614 10.329 596 HA PRO 75 HA PRO 75 6.837 10.868 5.376 597 HB2 PRO 75 HB2 PRO 75 7.585 9.986 8.127 598 HB3 PRO 75 HB1 PRO 75 8.487 9.837 6.614 599 HG2 PRO 75 HG2 PRO 75 9.161 11.677 8.412 600 HG3 PRO 75 HG1 PRO 75 9.212 12.041 6.676 601 HD2 PRO 75 HD2 PRO 75 7.223 12.880 8.733 602 HD3 PRO 75 HD1 PRO 75 7.821 13.761 7.313 603 H PHE 76 HN PHE 76 6.440 8.427 5.920 604 HA PHE 76 HA PHE 76 3.619 8.193 6.516 605 HB2 PHE 76 HB2 PHE 76 5.687 6.225 5.534 606 HB3 PHE 76 HB1 PHE 76 4.021 5.770 5.880 607 HD1 PHE 76 HD2 PHE 76 5.768 8.515 4.041 608 HD2 PHE 76 HD1 PHE 76 2.678 5.589 4.042 609 HE1 PHE 76 HE2 PHE 76 5.114 9.210 1.773 610 HE2 PHE 76 HE1 PHE 76 2.018 6.279 1.774 611 HZ PHE 76 HZ PHE 76 3.237 8.092 0.638 612 H ASP 77 HN ASP 77 6.671 6.958 7.830 613 HA ASP 77 HA ASP 77 5.282 5.662 10.028 614 HB2 ASP 77 HB2 ASP 77 7.869 5.421 8.766 615 HB3 ASP 77 HB1 ASP 77 8.051 5.587 10.511 616 H TYR 78 HN TYR 78 7.028 8.596 9.392 617 HA TYR 78 HA TYR 78 7.424 10.450 10.650 618 HB2 TYR 78 HB2 TYR 78 4.945 9.624 11.405 619 HB3 TYR 78 HB1 TYR 78 5.783 9.598 12.951 620 HD1 TYR 78 HD1 TYR 78 7.191 11.775 13.476 621 HD2 TYR 78 HD2 TYR 78 3.955 11.598 10.720 622 HE1 TYR 78 HE1 TYR 78 6.886 14.206 13.687 623 HE2 TYR 78 HE2 TYR 78 3.642 14.027 10.922 624 HH TYR 78 HH TYR 78 4.419 15.807 13.113 625 H ASP 79 HN ASP 79 9.044 8.060 10.953 626 HA ASP 79 HA ASP 79 10.388 8.796 13.425 627 HB2 ASP 79 HB2 ASP 79 8.693 6.663 13.524 628 HB3 ASP 79 HB1 ASP 79 10.201 5.877 13.070 629 HA PRO 80 HA PRO 80 13.941 8.581 10.794 630 HB2 PRO 80 HB2 PRO 80 15.242 7.568 13.285 631 HB3 PRO 80 HB1 PRO 80 15.762 8.851 12.188 632 HG2 PRO 80 HG2 PRO 80 14.652 9.443 14.533 633 HG3 PRO 80 HG1 PRO 80 14.287 10.400 13.085 634 HD2 PRO 80 HD2 PRO 80 12.614 8.378 14.491 635 HD3 PRO 80 HD1 PRO 80 12.122 9.841 13.616 636 H ASN 81 HN ASN 81 13.827 5.963 13.218 637 HA ASN 81 HA ASN 81 14.517 3.755 13.030 638 HB2 ASN 81 HB2 ASN 81 12.600 3.824 10.702 639 HB3 ASN 81 HB1 ASN 81 12.945 2.467 11.769 640 HD21 ASN 81 1HE2 ASN 81 10.379 3.255 11.328 641 HD22 ASN 81 2HE2 ASN 81 9.727 3.967 12.760 642 H GLU 82 HN GLU 82 16.701 4.321 12.280 643 HA GLU 82 HA GLU 82 17.289 4.299 9.490 644 HB2 GLU 82 HB2 GLU 82 19.223 3.894 11.778 645 HB3 GLU 82 HB1 GLU 82 19.615 4.397 10.140 646 HG2 GLU 82 HG2 GLU 82 18.282 6.457 10.516 647 HG3 GLU 82 HG1 GLU 82 18.075 5.961 12.195 648 H LYS 83 HN LYS 83 17.522 1.867 12.075 649 HA LYS 83 HA LYS 83 18.822 -0.103 10.525 650 HB2 LYS 83 HB2 LYS 83 18.408 -0.149 13.045 651 HB3 LYS 83 HB1 LYS 83 16.763 -0.647 12.675 652 HG2 LYS 83 HG2 LYS 83 18.779 -2.258 11.325 653 HG3 LYS 83 HG1 LYS 83 18.896 -2.316 13.084 654 HD2 LYS 83 HD2 LYS 83 16.313 -2.735 11.595 655 HD3 LYS 83 HD1 LYS 83 17.405 -4.055 12.014 656 HE2 LYS 83 HE2 LYS 83 17.244 -3.241 14.409 657 HE3 LYS 83 HE1 LYS 83 15.917 -2.215 13.870 658 HZ1 LYS 83 HZ1 LYS 83 14.533 -3.960 13.661 659 HZ2 LYS 83 HZ2 LYS 83 15.577 -4.685 14.777 660 HZ3 LYS 83 HZ3 LYS 83 15.740 -5.017 13.127 661 H SER 84 HN SER 84 15.445 0.605 11.181 662 HA SER 84 HA SER 84 14.299 -1.331 9.476 663 HB2 SER 84 HB2 SER 84 13.226 0.254 11.297 664 HB3 SER 84 HB1 SER 84 12.942 1.293 9.901 665 HG SER 84 HG SER 84 11.762 -1.098 10.596 666 H LYS 85 HN LYS 85 15.781 1.714 8.853 667 HA LYS 85 HA LYS 85 15.931 3.039 6.971 668 HB2 LYS 85 HB2 LYS 85 17.603 1.402 6.578 669 HB3 LYS 85 HB1 LYS 85 16.435 0.255 5.942 670 HG2 LYS 85 HG2 LYS 85 16.015 2.087 4.146 671 HG3 LYS 85 HG1 LYS 85 17.584 2.702 4.670 672 HD2 LYS 85 HD2 LYS 85 18.625 0.575 4.163 673 HD3 LYS 85 HD1 LYS 85 17.059 -0.122 3.745 674 HE2 LYS 85 HE2 LYS 85 17.431 0.509 1.644 675 HE3 LYS 85 HE1 LYS 85 17.269 2.179 2.183 676 HZ1 LYS 85 HZ1 LYS 85 19.706 0.621 1.671 677 HZ2 LYS 85 HZ2 LYS 85 19.759 1.870 2.809 678 HZ3 LYS 85 HZ3 LYS 85 19.326 2.204 1.209 679 H HIS 86 HN HIS 86 13.843 3.890 6.650 680 HA HIS 86 HA HIS 86 12.317 2.582 4.471 681 HB2 HIS 86 HB2 HIS 86 10.210 3.335 5.571 682 HB3 HIS 86 HB1 HIS 86 11.111 2.136 6.491 683 HD1 HIS 86 HD1 HIS 86 9.265 5.055 7.053 684 HD2 HIS 86 HD2 HIS 86 12.947 3.700 8.423 685 HE1 HIS 86 HE1 HIS 86 9.722 6.360 9.154 686 HE2 HIS 86 HE2 HIS 86 11.996 5.586 9.915 687 H LYS 87 HN LYS 87 10.735 3.991 3.341 688 HA LYS 87 HA LYS 87 10.458 6.701 3.381 689 HB2 LYS 87 HB2 LYS 87 13.086 5.951 2.340 690 HB3 LYS 87 HB1 LYS 87 12.173 6.975 1.242 691 HG2 LYS 87 HG2 LYS 87 12.483 7.701 4.128 692 HG3 LYS 87 HG1 LYS 87 13.731 8.090 2.944 693 HD2 LYS 87 HD2 LYS 87 12.509 9.738 2.024 694 HD3 LYS 87 HD1 LYS 87 11.012 8.807 2.114 695 HE2 LYS 87 HE2 LYS 87 10.497 9.578 4.209 696 HE3 LYS 87 HE1 LYS 87 12.185 9.837 4.646 697 HZ1 LYS 87 HZ1 LYS 87 10.371 11.580 3.129 698 HZ2 LYS 87 HZ2 LYS 87 12.033 11.668 2.829 699 HZ3 LYS 87 HZ3 LYS 87 11.438 11.971 4.383 700 H PHE 88 HN PHE 88 8.899 7.280 1.776 701 HA PHE 88 HA PHE 88 7.910 5.150 0.158 702 HB2 PHE 88 HB2 PHE 88 6.634 7.062 1.338 703 HB3 PHE 88 HB1 PHE 88 6.982 7.979 -0.125 704 HD1 PHE 88 HD1 PHE 88 5.866 4.494 0.625 705 HD2 PHE 88 HD2 PHE 88 5.206 8.088 -1.556 706 HE1 PHE 88 HE1 PHE 88 3.922 3.463 -0.477 707 HE2 PHE 88 HE2 PHE 88 3.261 7.065 -2.662 708 HZ PHE 88 HZ PHE 88 2.617 4.750 -2.122 709 H MET 89 HN MET 89 9.239 8.380 -0.898 710 HA MET 89 HA MET 89 9.132 7.502 -3.652 711 HB2 MET 89 HB2 MET 89 9.745 10.046 -2.295 712 HB3 MET 89 HB1 MET 89 10.829 9.736 -3.636 713 HG2 MET 89 HG2 MET 89 8.710 9.406 -5.070 714 HG3 MET 89 HG1 MET 89 7.821 10.099 -3.717 715 HE1 MET 89 HE1 MET 89 7.771 12.023 -6.835 716 HE2 MET 89 HE2 MET 89 7.710 13.456 -5.814 717 HE3 MET 89 HE3 MET 89 6.784 12.026 -5.367 718 H VAL 90 HN VAL 90 11.485 7.716 -1.098 719 HA VAL 90 HA VAL 90 13.804 6.923 -2.606 720 HB VAL 90 HB VAL 90 13.788 6.682 0.349 721 HG11 VAL 90 HG11 VAL 90 15.686 7.272 -1.832 722 HG12 VAL 90 HG12 VAL 90 15.904 6.333 -0.354 723 HG13 VAL 90 HG13 VAL 90 15.965 8.096 -0.298 724 HG21 VAL 90 HG21 VAL 90 14.267 9.200 0.402 725 HG22 VAL 90 HG22 VAL 90 12.584 8.692 0.261 726 HG23 VAL 90 HG23 VAL 90 13.457 9.256 -1.164 727 H GLN 91 HN GLN 91 11.286 5.050 -1.258 728 HA GLN 91 HA GLN 91 12.665 2.857 -0.264 729 HB2 GLN 91 HB2 GLN 91 9.987 3.466 -0.905 730 HB3 GLN 91 HB1 GLN 91 10.348 1.941 -1.697 731 HG2 GLN 91 HG2 GLN 91 11.101 1.009 0.431 732 HG3 GLN 91 HG1 GLN 91 10.729 2.535 1.230 733 HE21 GLN 91 1HE2 GLN 91 8.347 3.227 0.201 734 HE22 GLN 91 2HE2 GLN 91 7.145 2.049 0.589 735 H SER 92 HN SER 92 12.535 3.916 -3.492 736 HA SER 92 HA SER 92 12.756 1.519 -4.910 737 HB2 SER 92 HB2 SER 92 13.726 2.899 -6.706 738 HB3 SER 92 HB1 SER 92 12.296 3.650 -6.001 739 HG SER 92 HG SER 92 13.890 4.814 -4.633 740 H MET 93 HN MET 93 15.038 2.912 -2.763 741 HA MET 93 HA MET 93 17.404 2.002 -4.059 742 HB2 MET 93 HB2 MET 93 16.928 3.798 -2.074 743 HB3 MET 93 HB1 MET 93 17.460 2.410 -1.133 744 HG2 MET 93 HG2 MET 93 19.420 3.564 -1.513 745 HG3 MET 93 HG1 MET 93 19.439 2.331 -2.773 746 HE1 MET 93 HE1 MET 93 20.315 5.778 -2.073 747 HE2 MET 93 HE2 MET 93 20.735 6.230 -3.725 748 HE3 MET 93 HE3 MET 93 21.373 4.740 -3.030 749 H PHE 94 HN PHE 94 15.323 0.909 -1.447 750 HA PHE 94 HA PHE 94 16.822 -1.373 -0.728 751 HB2 PHE 94 HB2 PHE 94 14.959 -0.560 0.648 752 HB3 PHE 94 HB1 PHE 94 13.819 -0.987 -0.626 753 HD1 PHE 94 HD1 PHE 94 13.686 -3.432 -1.316 754 HD2 PHE 94 HD2 PHE 94 15.549 -2.116 2.276 755 HE1 PHE 94 HE1 PHE 94 13.484 -5.696 -0.390 756 HE2 PHE 94 HE2 PHE 94 15.347 -4.383 3.214 757 HZ PHE 94 HZ PHE 94 14.314 -6.179 1.880 758 H ALA 95 HN ALA 95 14.544 -0.747 -3.282 759 HA ALA 95 HA ALA 95 15.329 -3.223 -4.617 760 HB1 ALA 95 HB1 ALA 95 12.479 -2.381 -4.112 761 HB2 ALA 95 HB2 ALA 95 13.271 -3.862 -3.576 762 HB3 ALA 95 HB3 ALA 95 12.949 -3.606 -5.290 763 HA PRO 96 HA PRO 96 15.973 0.496 -7.313 764 HB2 PRO 96 HB2 PRO 96 17.152 -1.299 -9.189 765 HB3 PRO 96 HB1 PRO 96 17.970 -0.146 -8.135 766 HG2 PRO 96 HG2 PRO 96 17.535 -3.052 -7.777 767 HG3 PRO 96 HG1 PRO 96 18.838 -2.022 -7.160 768 HD2 PRO 96 HD2 PRO 96 16.912 -2.962 -5.552 769 HD3 PRO 96 HD1 PRO 96 17.593 -1.337 -5.324 770 H THR 97 HN THR 97 14.560 -2.640 -8.012 771 HA THR 97 HA THR 97 13.501 -1.961 -10.554 772 HB THR 97 HB THR 97 12.030 -3.982 -9.003 773 HG1 THR 97 HG1 THR 97 13.889 -4.520 -8.058 774 HG21 THR 97 HG21 THR 97 13.650 -4.531 -11.439 775 HG22 THR 97 HG22 THR 97 12.153 -3.607 -11.569 776 HG23 THR 97 HG23 THR 97 12.125 -5.244 -10.914 777 H ASP 98 HN ASP 98 12.474 -1.311 -7.323 778 HA ASP 98 HA ASP 98 9.728 -1.051 -7.667 779 HB2 ASP 98 HB2 ASP 98 11.710 0.119 -5.774 780 HB3 ASP 98 HB1 ASP 98 10.088 0.801 -5.806 781 H THR 99 HN THR 99 12.244 1.452 -8.050 782 HA THR 99 HA THR 99 10.523 3.554 -8.717 783 HB THR 99 HB THR 99 12.773 4.051 -10.237 784 HG1 THR 99 HG1 THR 99 14.498 3.300 -8.937 785 HG21 THR 99 HG21 THR 99 13.596 4.883 -7.781 786 HG22 THR 99 HG22 THR 99 11.848 4.786 -7.573 787 HG23 THR 99 HG23 THR 99 12.529 5.780 -8.861 788 H SER 100 HN SER 100 12.116 1.143 -10.730 789 HA SER 100 HA SER 100 11.059 2.089 -13.198 790 HB2 SER 100 HB2 SER 100 11.675 -0.450 -13.794 791 HB3 SER 100 HB1 SER 100 12.905 0.802 -13.626 792 HG SER 100 HG SER 100 12.099 -1.099 -11.681 793 H ASP 101 HN ASP 101 9.846 0.114 -10.654 794 HA ASP 101 HA ASP 101 8.038 -1.518 -11.972 795 HB2 ASP 101 HB2 ASP 101 8.703 -1.467 -9.489 796 HB3 ASP 101 HB1 ASP 101 7.428 -0.265 -9.307 797 H MET 102 HN MET 102 7.575 1.845 -10.868 798 HA MET 102 HA MET 102 4.833 2.019 -11.366 799 HB2 MET 102 HB2 MET 102 7.060 3.921 -11.049 800 HB3 MET 102 HB1 MET 102 5.718 4.535 -12.003 801 HG2 MET 102 HG2 MET 102 4.424 4.799 -10.212 802 HG3 MET 102 HG1 MET 102 4.846 3.215 -9.564 803 HE1 MET 102 HE1 MET 102 4.349 6.331 -8.796 804 HE2 MET 102 HE2 MET 102 5.758 7.188 -8.174 805 HE3 MET 102 HE3 MET 102 4.889 6.055 -7.140 806 H GLU 103 HN GLU 103 7.507 2.996 -13.516 807 HA GLU 103 HA GLU 103 5.810 3.426 -15.765 808 HB2 GLU 103 HB2 GLU 103 8.400 4.091 -15.107 809 HB3 GLU 103 HB1 GLU 103 8.622 2.886 -16.368 810 HG2 GLU 103 HG2 GLU 103 8.079 4.337 -17.944 811 HG3 GLU 103 HG1 GLU 103 6.573 4.748 -17.123 812 H ALA 104 HN ALA 104 8.055 0.855 -14.864 813 HA ALA 104 HA ALA 104 7.890 -0.723 -17.129 814 HB1 ALA 104 HB1 ALA 104 9.586 -1.065 -15.463 815 HB2 ALA 104 HB2 ALA 104 8.687 -2.563 -15.701 816 HB3 ALA 104 HB3 ALA 104 8.376 -1.564 -14.282 817 H VAL 105 HN VAL 105 5.510 -0.357 -14.628 818 HA VAL 105 HA VAL 105 4.250 -2.832 -14.726 819 HB VAL 105 HB VAL 105 3.278 -0.067 -14.117 820 HG11 VAL 105 HG11 VAL 105 1.069 -0.954 -13.507 821 HG12 VAL 105 HG12 VAL 105 1.505 -2.507 -14.221 822 HG13 VAL 105 HG13 VAL 105 1.373 -1.073 -15.239 823 HG21 VAL 105 HG21 VAL 105 2.741 -2.091 -12.152 824 HG22 VAL 105 HG22 VAL 105 3.763 -0.659 -12.035 825 HG23 VAL 105 HG23 VAL 105 4.428 -2.166 -12.663 826 H TRP 106 HN TRP 106 3.400 0.074 -16.634 827 HA TRP 106 HA TRP 106 1.673 -1.514 -18.329 828 HB2 TRP 106 HB2 TRP 106 1.490 1.040 -17.553 829 HB3 TRP 106 HB1 TRP 106 2.375 1.286 -19.056 830 HD1 TRP 106 HD1 TRP 106 -0.269 -1.468 -18.784 831 HE1 TRP 106 HE1 TRP 106 -2.239 -0.870 -20.329 832 HE3 TRP 106 HE3 TRP 106 1.163 3.250 -20.138 833 HZ2 TRP 106 HZ2 TRP 106 -3.075 1.312 -21.910 834 HZ3 TRP 106 HZ3 TRP 106 -0.279 4.526 -21.670 835 HH2 TRP 106 HH2 TRP 106 -2.354 3.575 -22.538 836 H LYS 107 HN LYS 107 4.848 -0.056 -18.469 837 HA LYS 107 HA LYS 107 5.219 -0.358 -21.269 838 HB2 LYS 107 HB2 LYS 107 6.691 0.686 -19.042 839 HB3 LYS 107 HB1 LYS 107 7.742 -0.355 -19.993 840 HG2 LYS 107 HG2 LYS 107 8.086 1.593 -21.092 841 HG3 LYS 107 HG1 LYS 107 6.675 1.028 -21.988 842 HD2 LYS 107 HD2 LYS 107 5.388 2.326 -20.077 843 HD3 LYS 107 HD1 LYS 107 6.909 3.215 -19.984 844 HE2 LYS 107 HE2 LYS 107 5.408 2.779 -22.556 845 HE3 LYS 107 HE1 LYS 107 5.153 4.182 -21.520 846 HZ1 LYS 107 HZ1 LYS 107 6.708 4.816 -23.154 847 HZ2 LYS 107 HZ2 LYS 107 7.632 3.414 -22.951 848 HZ3 LYS 107 HZ3 LYS 107 7.605 4.591 -21.737 849 H GLU 108 HN GLU 108 6.361 -2.280 -18.481 850 HA GLU 108 HA GLU 108 7.312 -4.314 -20.355 851 HB2 GLU 108 HB2 GLU 108 7.789 -3.820 -17.435 852 HB3 GLU 108 HB1 GLU 108 8.179 -5.371 -18.167 853 HG2 GLU 108 HG2 GLU 108 10.166 -4.468 -18.586 854 HG3 GLU 108 HG1 GLU 108 9.346 -3.634 -19.906 855 H ALA 109 HN ALA 109 4.438 -3.684 -18.962 856 HA ALA 109 HA ALA 109 2.555 -4.906 -18.612 857 HB1 ALA 109 HB1 ALA 109 2.743 -7.380 -19.489 858 HB2 ALA 109 HB2 ALA 109 4.220 -6.767 -20.230 859 HB3 ALA 109 HB3 ALA 109 2.669 -6.018 -20.605 860 H LYS 110 HN LYS 110 1.907 -7.322 -17.761 861 HA LYS 110 HA LYS 110 2.443 -7.325 -15.059 862 HB2 LYS 110 HB2 LYS 110 0.525 -8.446 -16.013 863 HB3 LYS 110 HB1 LYS 110 1.564 -9.615 -16.816 864 HG2 LYS 110 HG2 LYS 110 2.021 -9.525 -13.952 865 HG3 LYS 110 HG1 LYS 110 0.347 -9.908 -14.358 866 HD2 LYS 110 HD2 LYS 110 2.635 -11.303 -15.708 867 HD3 LYS 110 HD1 LYS 110 2.027 -11.847 -14.145 868 HE2 LYS 110 HE2 LYS 110 0.592 -13.077 -15.345 869 HE3 LYS 110 HE1 LYS 110 -0.277 -11.562 -15.582 870 HZ1 LYS 110 HZ1 LYS 110 0.411 -11.396 -17.716 871 HZ2 LYS 110 HZ2 LYS 110 0.502 -13.079 -17.588 872 HZ3 LYS 110 HZ3 LYS 110 1.902 -12.144 -17.432 873 HA PRO 111 HA PRO 111 5.580 -11.117 -16.090 874 HB2 PRO 111 HB2 PRO 111 6.902 -9.431 -18.186 875 HB3 PRO 111 HB1 PRO 111 6.851 -11.192 -18.027 876 HG2 PRO 111 HG2 PRO 111 5.245 -9.971 -19.746 877 HG3 PRO 111 HG1 PRO 111 4.650 -11.327 -18.769 878 HD2 PRO 111 HD2 PRO 111 4.112 -8.415 -18.500 879 HD3 PRO 111 HD1 PRO 111 3.062 -9.796 -18.122 880 H GLU 112 HN GLU 112 6.375 -7.652 -16.395 881 HA GLU 112 HA GLU 112 8.837 -7.917 -14.962 882 HB2 GLU 112 HB2 GLU 112 7.603 -5.930 -16.507 883 HB3 GLU 112 HB1 GLU 112 7.764 -5.234 -14.902 884 HG2 GLU 112 HG2 GLU 112 10.083 -6.591 -16.215 885 HG3 GLU 112 HG1 GLU 112 9.672 -4.921 -16.603 886 H ASP 113 HN ASP 113 5.556 -6.956 -14.126 887 HA ASP 113 HA ASP 113 6.102 -6.033 -11.523 888 HB2 ASP 113 HB2 ASP 113 3.504 -7.295 -12.381 889 HB3 ASP 113 HB1 ASP 113 3.757 -6.030 -11.183 890 H LEU 114 HN LEU 114 5.426 -9.238 -12.798 891 HA LEU 114 HA LEU 114 4.856 -10.596 -10.445 892 HB2 LEU 114 HB2 LEU 114 4.732 -11.505 -12.780 893 HB3 LEU 114 HB1 LEU 114 6.477 -11.685 -12.744 894 HG LEU 114 HG LEU 114 6.093 -13.148 -10.661 895 HD11 LEU 114 HD11 LEU 114 3.806 -12.588 -10.203 896 HD12 LEU 114 HD12 LEU 114 3.890 -14.289 -10.662 897 HD13 LEU 114 HD13 LEU 114 3.313 -13.090 -11.820 898 HD21 LEU 114 HD21 LEU 114 5.038 -14.233 -13.262 899 HD22 LEU 114 HD22 LEU 114 5.908 -15.097 -11.995 900 HD23 LEU 114 HD23 LEU 114 6.746 -13.897 -12.979 901 H MET 115 HN MET 115 8.006 -9.870 -11.900 902 HA MET 115 HA MET 115 9.496 -11.225 -9.872 903 HB2 MET 115 HB2 MET 115 10.392 -10.889 -12.133 904 HB3 MET 115 HB1 MET 115 10.386 -9.148 -11.881 905 HG2 MET 115 HG2 MET 115 12.528 -9.470 -11.328 906 HG3 MET 115 HG1 MET 115 11.857 -9.937 -9.767 907 HE1 MET 115 HE1 MET 115 13.877 -11.373 -9.014 908 HE2 MET 115 HE2 MET 115 14.735 -10.841 -10.459 909 HE3 MET 115 HE3 MET 115 14.690 -12.554 -10.042 910 H ASP 116 HN ASP 116 8.524 -7.884 -10.441 911 HA ASP 116 HA ASP 116 10.065 -6.766 -8.330 912 HB2 ASP 116 HB2 ASP 116 7.685 -5.761 -9.886 913 HB3 ASP 116 HB1 ASP 116 8.457 -4.810 -8.619 914 H SER 117 HN SER 117 6.790 -8.029 -8.562 915 HA SER 117 HA SER 117 5.829 -7.107 -6.082 916 HB2 SER 117 HB2 SER 117 5.071 -9.617 -7.576 917 HB3 SER 117 HB1 SER 117 4.103 -8.821 -6.335 918 HG SER 117 HG SER 117 4.197 -6.935 -7.806 919 H LYS 118 HN LYS 118 7.256 -10.239 -7.003 920 HA LYS 118 HA LYS 118 7.199 -11.341 -4.402 921 HB2 LYS 118 HB2 LYS 118 8.156 -12.108 -7.017 922 HB3 LYS 118 HB1 LYS 118 9.357 -12.503 -5.794 923 HG2 LYS 118 HG2 LYS 118 8.212 -14.341 -5.350 924 HG3 LYS 118 HG1 LYS 118 6.911 -13.326 -4.724 925 HD2 LYS 118 HD2 LYS 118 5.636 -14.217 -6.329 926 HD3 LYS 118 HD1 LYS 118 6.549 -13.215 -7.459 927 HE2 LYS 118 HE2 LYS 118 8.235 -15.201 -7.424 928 HE3 LYS 118 HE1 LYS 118 6.858 -16.118 -6.816 929 HZ1 LYS 118 HZ1 LYS 118 5.784 -15.992 -8.789 930 HZ2 LYS 118 HZ2 LYS 118 7.361 -15.864 -9.385 931 HZ3 LYS 118 HZ3 LYS 118 6.418 -14.475 -9.187 932 H LEU 119 HN LEU 119 9.349 -9.241 -6.103 933 HA LEU 119 HA LEU 119 11.605 -9.531 -4.383 934 HB2 LEU 119 HB2 LEU 119 11.787 -8.657 -6.665 935 HB3 LEU 119 HB1 LEU 119 10.838 -7.254 -6.210 936 HG LEU 119 HG LEU 119 12.805 -7.014 -4.409 937 HD11 LEU 119 HD11 LEU 119 14.480 -7.852 -6.686 938 HD12 LEU 119 HD12 LEU 119 13.761 -9.148 -5.730 939 HD13 LEU 119 HD13 LEU 119 14.788 -7.942 -4.951 940 HD21 LEU 119 HD21 LEU 119 12.098 -5.295 -5.976 941 HD22 LEU 119 HD22 LEU 119 12.943 -6.120 -7.287 942 HD23 LEU 119 HD23 LEU 119 13.857 -5.423 -5.949 943 H ARG 120 HN ARG 120 8.882 -7.284 -4.489 944 HA ARG 120 HA ARG 120 9.819 -5.633 -2.366 945 HB2 ARG 120 HB2 ARG 120 7.733 -5.548 -4.230 946 HB3 ARG 120 HB1 ARG 120 6.938 -5.608 -2.663 947 HG2 ARG 120 HG2 ARG 120 8.987 -3.595 -3.563 948 HG3 ARG 120 HG1 ARG 120 7.259 -3.320 -3.333 949 HD2 ARG 120 HD2 ARG 120 7.426 -3.537 -1.000 950 HD3 ARG 120 HD1 ARG 120 9.020 -4.283 -1.100 951 HE ARG 120 HE ARG 120 8.423 -1.483 -1.068 952 HH11 ARG 120 HH11 ARG 120 10.720 -3.878 -2.149 953 HH12 ARG 120 HH12 ARG 120 12.043 -2.762 -2.210 954 HH21 ARG 120 HH21 ARG 120 10.161 -0.014 -1.156 955 HH22 ARG 120 HH22 ARG 120 11.725 -0.568 -1.650 956 H CYS 121 HN CYS 121 7.812 -8.497 -2.553 957 HA CYS 121 HA CYS 121 6.653 -8.441 -0.019 958 HB2 CYS 121 HB2 CYS 121 7.484 -10.777 -1.744 959 HB3 CYS 121 HB1 CYS 121 6.538 -10.946 -0.268 960 HG CYS 121 HG CYS 121 5.042 -9.078 -1.987 961 H VAL 122 HN VAL 122 9.865 -9.394 -1.038 962 HA VAL 122 HA VAL 122 10.679 -10.778 1.260 963 HB VAL 122 HB VAL 122 12.461 -9.070 -0.475 964 HG11 VAL 122 HG11 VAL 122 12.891 -11.130 1.594 965 HG12 VAL 122 HG12 VAL 122 13.902 -9.764 1.123 966 HG13 VAL 122 HG13 VAL 122 13.910 -11.240 0.159 967 HG21 VAL 122 HG21 VAL 122 11.340 -10.403 -2.033 968 HG22 VAL 122 HG22 VAL 122 11.289 -11.791 -0.945 969 HG23 VAL 122 HG23 VAL 122 12.815 -11.306 -1.683 970 H PHE 123 HN PHE 123 10.622 -7.336 0.519 971 HA PHE 123 HA PHE 123 12.186 -6.387 2.633 972 HB2 PHE 123 HB2 PHE 123 11.582 -4.873 0.889 973 HB3 PHE 123 HB1 PHE 123 9.866 -5.165 1.133 974 HD1 PHE 123 HD1 PHE 123 8.781 -4.324 3.239 975 HD2 PHE 123 HD2 PHE 123 12.702 -3.177 2.056 976 HE1 PHE 123 HE1 PHE 123 8.661 -2.379 4.742 977 HE2 PHE 123 HE2 PHE 123 12.592 -1.230 3.556 978 HZ PHE 123 HZ PHE 123 10.569 -0.830 4.903 979 H GLU 124 HN GLU 124 8.833 -7.363 2.500 980 HA GLU 124 HA GLU 124 8.058 -6.340 5.026 981 HB2 GLU 124 HB2 GLU 124 6.810 -8.719 3.660 982 HB3 GLU 124 HB1 GLU 124 6.046 -7.570 4.751 983 HG2 GLU 124 HG2 GLU 124 7.006 -6.028 2.641 984 HG3 GLU 124 HG1 GLU 124 6.342 -7.477 1.887 985 H LEU 125 HN LEU 125 9.016 -9.592 3.959 986 HA LEU 125 HA LEU 125 10.152 -10.142 6.555 987 HB2 LEU 125 HB2 LEU 125 7.562 -11.274 5.690 988 HB3 LEU 125 HB1 LEU 125 8.701 -12.417 6.375 989 HG LEU 125 HG LEU 125 8.295 -9.934 7.926 990 HD11 LEU 125 HD11 LEU 125 6.139 -10.204 8.514 991 HD12 LEU 125 HD12 LEU 125 6.211 -11.960 8.381 992 HD13 LEU 125 HD13 LEU 125 6.019 -10.975 6.932 993 HD21 LEU 125 HD21 LEU 125 9.596 -11.360 9.113 994 HD22 LEU 125 HD22 LEU 125 8.893 -12.797 8.370 995 HD23 LEU 125 HD23 LEU 125 8.024 -11.951 9.649
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